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 3fks_1_C DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.524 175.510 0.024 0.000 1.280 26 N CA 0.000 53.062 53.050 0.020 0.000 0.885 26 N CB 0.000 38.493 38.487 0.010 0.000 1.341 27 L N 1.684 122.921 121.223 0.024 0.000 2.638 27 L HA 0.297 4.637 4.340 -0.000 0.000 0.232 27 L C 1.886 178.747 176.870 -0.014 0.000 1.099 27 L CA -0.190 54.661 54.840 0.018 0.000 0.883 27 L CB -0.184 41.892 42.059 0.028 0.000 1.136 27 L HN 0.608 nan 8.230 nan 0.000 0.492 28 N N 1.123 119.816 118.700 -0.012 0.000 2.104 28 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 28 N C 1.312 176.808 175.510 -0.023 0.000 1.024 28 N CA 1.646 54.684 53.050 -0.020 0.000 0.853 28 N CB 0.353 38.833 38.487 -0.012 0.000 1.008 28 N HN 0.328 nan 8.380 nan 0.000 0.424 29 E N -0.754 119.435 120.200 -0.019 0.000 2.539 29 E HA 0.098 4.448 4.350 -0.000 0.000 0.215 29 E C 0.257 176.839 176.600 -0.030 0.000 0.965 29 E CA 0.102 56.489 56.400 -0.022 0.000 1.019 29 E CB 1.036 30.726 29.700 -0.016 0.000 1.059 29 E HN 0.457 nan 8.360 nan 0.000 0.496 30 T N -2.166 112.371 114.554 -0.027 0.000 2.888 30 T HA 0.814 5.164 4.350 -0.000 0.000 0.288 30 T C 0.214 174.897 174.700 -0.029 0.000 1.063 30 T CA -0.823 61.255 62.100 -0.036 0.000 1.010 30 T CB 2.571 71.424 68.868 -0.024 0.000 1.214 30 T HN -0.006 nan 8.240 nan 0.000 0.533 31 G N 0.083 108.861 108.800 -0.037 0.000 2.755 31 G HA2 0.570 4.530 3.960 -0.000 0.000 0.297 31 G HA3 0.570 4.530 3.960 -0.000 0.000 0.297 31 G C -1.546 173.354 174.900 -0.000 0.000 1.441 31 G CA -1.055 44.045 45.100 -0.001 0.000 0.964 31 G HN 0.759 nan 8.290 nan 0.000 0.540 32 R N 0.393 120.936 120.500 0.073 0.000 2.474 32 R HA 0.530 4.870 4.340 -0.000 0.000 0.295 32 R C -0.159 176.186 176.300 0.076 0.000 0.980 32 R CA -0.742 55.390 56.100 0.054 0.000 0.934 32 R CB 2.300 32.629 30.300 0.047 0.000 1.101 32 R HN 0.306 nan 8.270 nan 0.000 0.469 33 V N 5.300 125.253 119.914 0.065 0.000 2.446 33 V HA -0.019 4.101 4.120 -0.000 0.000 0.276 33 V C 1.527 177.667 176.094 0.078 0.000 1.030 33 V CA 0.323 62.680 62.300 0.095 0.000 1.033 33 V CB 0.635 32.540 31.823 0.137 0.000 0.993 33 V HN 0.763 nan 8.190 nan 0.000 0.477 34 L N 4.057 125.333 121.223 0.088 0.000 2.131 34 L HA 0.314 4.653 4.340 -0.000 0.000 0.206 34 L C 0.986 177.885 176.870 0.049 0.000 1.087 34 L CA 1.269 56.147 54.840 0.063 0.000 0.767 34 L CB 0.048 42.160 42.059 0.088 0.000 0.917 34 L HN 0.810 nan 8.230 nan 0.000 0.441 35 A N -1.175 121.681 122.820 0.060 0.000 2.605 35 A HA 0.630 4.950 4.320 -0.000 0.000 0.294 35 A C -1.709 175.908 177.584 0.055 0.000 1.062 35 A CA -0.379 51.686 52.037 0.046 0.000 0.682 35 A CB 1.833 20.853 19.000 0.033 0.000 1.278 35 A HN -0.217 nan 8.150 nan 0.000 0.410 36 V N 0.198 120.135 119.914 0.040 0.000 3.012 36 V HA 0.951 5.071 4.120 -0.000 0.000 0.307 36 V C -0.206 175.891 176.094 0.005 0.000 1.166 36 V CA 0.838 63.157 62.300 0.032 0.000 0.974 36 V CB 2.136 33.987 31.823 0.047 0.000 1.040 36 V HN 2.636 nan 8.190 nan 0.000 0.428 37 G N 3.149 111.942 108.800 -0.012 0.000 2.386 37 G HA2 0.472 4.432 3.960 -0.000 0.000 0.302 37 G HA3 0.472 4.432 3.960 -0.000 0.000 0.302 37 G C -0.827 174.053 174.900 -0.034 0.000 1.629 37 G CA 0.133 45.220 45.100 -0.023 0.000 0.917 37 G HN 1.113 nan 8.290 nan 0.000 0.676 38 D N -0.694 119.682 120.400 -0.039 0.000 2.945 38 D HA -0.171 4.469 4.640 -0.000 0.000 0.225 38 D C 1.673 177.937 176.300 -0.061 0.000 1.158 38 D CA 2.856 56.829 54.000 -0.045 0.000 0.805 38 D CB -1.311 39.464 40.800 -0.042 0.000 1.098 38 D HN 2.388 nan 8.370 nan 0.000 0.426 39 G N -1.141 107.616 108.800 -0.071 0.000 2.179 39 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 39 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 39 G C 0.234 175.077 174.900 -0.095 0.000 0.977 39 G CA 0.443 45.486 45.100 -0.096 0.000 0.641 39 G HN 0.473 nan 8.290 nan 0.000 0.533 40 I N 1.099 121.630 120.570 -0.065 0.000 2.392 40 I HA 0.716 4.885 4.170 -0.000 0.000 0.295 40 I C 0.467 176.582 176.117 -0.004 0.000 0.985 40 I CA -0.736 60.540 61.300 -0.041 0.000 1.221 40 I CB 1.423 39.401 38.000 -0.038 0.000 1.366 40 I HN 0.517 nan 8.210 nan 0.000 0.467 41 A N 7.052 129.896 122.820 0.040 0.000 2.411 41 A HA 0.611 4.931 4.320 -0.000 0.000 0.285 41 A C -0.343 177.308 177.584 0.111 0.000 1.129 41 A CA -0.757 51.344 52.037 0.108 0.000 0.736 41 A CB 0.818 19.956 19.000 0.230 0.000 1.186 41 A HN 0.690 nan 8.150 nan 0.000 0.445 42 R N 1.186 121.738 120.500 0.086 0.000 2.267 42 R HA 0.505 4.844 4.340 -0.000 0.000 0.319 42 R C -0.782 175.576 176.300 0.097 0.000 1.067 42 R CA -0.113 56.033 56.100 0.077 0.000 0.936 42 R CB 1.229 31.567 30.300 0.062 0.000 1.006 42 R HN 0.426 nan 8.270 nan 0.000 0.452 43 V N 4.477 124.442 119.914 0.084 0.000 2.604 43 V HA 0.311 4.431 4.120 -0.000 0.000 0.305 43 V C -0.725 175.430 176.094 0.102 0.000 1.043 43 V CA -0.870 61.480 62.300 0.084 0.000 0.888 43 V CB 1.630 33.470 31.823 0.028 0.000 0.995 43 V HN 0.551 nan 8.190 nan 0.000 0.429 44 F N 4.060 124.006 119.950 -0.007 0.000 2.411 44 F HA 0.771 5.297 4.527 -0.001 0.000 0.355 44 F C 0.742 176.532 175.800 -0.016 0.000 1.117 44 F CA 1.302 59.297 58.000 -0.008 0.000 1.139 44 F CB 0.829 39.826 39.000 -0.005 0.000 1.120 44 F HN 0.885 nan 8.300 nan 0.000 0.493 45 G N 4.219 112.741 108.800 -0.464 0.000 2.395 45 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.201 45 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.201 45 G C -0.016 174.776 174.900 -0.180 0.000 1.206 45 G CA -0.499 44.432 45.100 -0.282 0.000 1.210 45 G HN 1.173 nan 8.290 nan 0.000 0.557 46 L N 0.152 121.317 121.223 -0.097 0.000 3.660 46 L HA -0.204 4.135 4.340 -0.000 0.000 0.440 46 L C 1.416 178.238 176.870 -0.080 0.000 1.262 46 L CA 0.462 55.258 54.840 -0.074 0.000 0.837 46 L CB -1.288 40.732 42.059 -0.065 0.000 1.689 46 L HN 0.603 nan 8.230 nan 0.000 0.890 47 N N 0.183 118.830 118.700 -0.087 0.000 2.443 47 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 47 N C 1.197 176.676 175.510 -0.052 0.000 1.037 47 N CA 1.055 54.056 53.050 -0.082 0.000 0.896 47 N CB -0.072 38.367 38.487 -0.079 0.000 0.959 47 N HN 0.581 nan 8.380 nan 0.000 0.442 48 N N 0.268 118.944 118.700 -0.040 0.000 2.200 48 N HA 0.080 4.820 4.740 -0.000 0.000 0.224 48 N C -0.106 175.391 175.510 -0.021 0.000 1.179 48 N CA -0.329 52.705 53.050 -0.026 0.000 0.877 48 N CB 1.023 39.498 38.487 -0.020 0.000 1.072 48 N HN 0.124 nan 8.380 nan 0.000 0.519 49 I N 1.991 122.546 120.570 -0.025 0.000 2.752 49 I HA -0.090 4.080 4.170 -0.000 0.000 0.287 49 I C 0.498 176.611 176.117 -0.006 0.000 1.188 49 I CA 0.276 61.567 61.300 -0.015 0.000 1.427 49 I CB 0.572 38.561 38.000 -0.018 0.000 1.365 49 I HN 0.042 nan 8.210 nan 0.000 0.585 50 Q N 5.020 124.822 119.800 0.004 0.000 2.256 50 Q HA 0.629 4.969 4.340 -0.000 0.000 0.232 50 Q C -0.288 175.723 176.000 0.018 0.000 0.965 50 Q CA -0.870 54.940 55.803 0.011 0.000 0.908 50 Q CB 0.984 29.730 28.738 0.015 0.000 1.209 50 Q HN 0.825 nan 8.270 nan 0.000 0.489 51 A N 1.248 124.081 122.820 0.022 0.000 2.425 51 A HA 0.100 4.420 4.320 -0.000 0.000 0.249 51 A C 0.033 177.642 177.584 0.042 0.000 1.084 51 A CA -0.038 52.017 52.037 0.030 0.000 0.781 51 A CB -0.015 19.003 19.000 0.030 0.000 1.019 51 A HN 0.928 nan 8.150 nan 0.000 0.490 52 E N -0.623 119.610 120.200 0.054 0.000 2.586 52 E HA -0.216 4.133 4.350 -0.000 0.000 0.259 52 E C 0.105 176.748 176.600 0.072 0.000 1.107 52 E CA 1.242 57.684 56.400 0.071 0.000 0.754 52 E CB -1.126 28.612 29.700 0.063 0.000 1.335 52 E HN 0.846 nan 8.360 nan 0.000 0.411 53 E N 0.616 120.856 120.200 0.066 0.000 2.283 53 E HA 0.352 4.702 4.350 -0.000 0.000 0.271 53 E C -0.430 176.222 176.600 0.087 0.000 1.031 53 E CA -0.711 55.725 56.400 0.060 0.000 0.868 53 E CB 0.841 30.564 29.700 0.038 0.000 1.094 53 E HN 0.068 nan 8.360 nan 0.000 0.401 54 L N 4.498 125.766 121.223 0.074 0.000 2.371 54 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 54 L C -0.830 176.090 176.870 0.084 0.000 1.124 54 L CA -0.098 54.796 54.840 0.090 0.000 0.816 54 L CB 1.284 43.361 42.059 0.031 0.000 1.129 54 L HN 0.387 nan 8.230 nan 0.000 0.448 55 V N 1.088 121.082 119.914 0.133 0.000 2.876 55 V HA 0.693 4.813 4.120 -0.000 0.000 0.312 55 V C -0.678 175.512 176.094 0.161 0.000 1.085 55 V CA -0.814 61.548 62.300 0.102 0.000 0.945 55 V CB 1.853 33.722 31.823 0.076 0.000 1.017 55 V HN 0.800 nan 8.190 nan 0.000 0.428 56 E N 2.420 122.673 120.200 0.087 0.000 2.207 56 E HA 0.651 5.000 4.350 -0.000 0.000 0.270 56 E C -1.626 175.039 176.600 0.108 0.000 0.927 56 E CA -0.504 55.988 56.400 0.153 0.000 0.799 56 E CB 2.469 32.217 29.700 0.080 0.000 1.172 56 E HN 0.642 nan 8.360 nan 0.000 0.404 57 F N 0.456 120.432 119.950 0.043 0.000 2.450 57 F HA 0.103 4.630 4.527 -0.000 0.000 0.328 57 F C 1.813 177.631 175.800 0.030 0.000 1.068 57 F CA -0.394 57.630 58.000 0.039 0.000 1.007 57 F CB 1.505 40.532 39.000 0.045 0.000 1.251 57 F HN 0.509 nan 8.300 nan 0.000 0.492 58 S N -0.865 114.947 115.700 0.188 0.000 2.428 58 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 58 S C 1.662 176.333 174.600 0.118 0.000 1.014 58 S CA 1.094 59.361 58.200 0.111 0.000 0.957 58 S CB -0.788 62.457 63.200 0.075 0.000 0.784 58 S HN 0.611 nan 8.310 nan 0.000 0.499 59 S N -0.043 115.752 115.700 0.158 0.000 2.562 59 S HA 0.486 4.956 4.470 -0.000 0.000 0.221 59 S C 1.639 176.290 174.600 0.085 0.000 0.975 59 S CA 0.534 58.795 58.200 0.102 0.000 0.918 59 S CB -0.290 62.961 63.200 0.086 0.000 0.772 59 S HN 1.336 nan 8.310 nan 0.000 0.531 60 G N 0.312 109.182 108.800 0.116 0.000 2.307 60 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.210 60 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.210 60 G C 0.122 175.077 174.900 0.091 0.000 1.005 60 G CA -0.187 44.966 45.100 0.088 0.000 0.634 60 G HN 0.982 nan 8.290 nan 0.000 0.496 61 V N 2.719 122.677 119.914 0.072 0.000 2.572 61 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 61 V C 0.756 176.920 176.094 0.116 0.000 1.039 61 V CA 0.087 62.402 62.300 0.025 0.000 1.055 61 V CB 0.794 32.546 31.823 -0.117 0.000 0.969 61 V HN 0.352 nan 8.190 nan 0.000 0.482 62 K N 4.556 125.046 120.400 0.151 0.000 2.102 62 K HA 0.712 5.032 4.320 -0.000 0.000 0.244 62 K C 0.224 177.087 176.600 0.437 0.000 1.021 62 K CA 0.157 56.595 56.287 0.251 0.000 0.913 62 K CB 1.427 33.965 32.500 0.062 0.000 1.062 62 K HN 0.943 nan 8.250 nan 0.000 0.485 63 G N 0.109 109.249 108.800 0.566 0.000 2.749 63 G HA2 0.646 4.605 3.960 -0.000 0.000 0.300 63 G HA3 0.646 4.605 3.960 -0.000 0.000 0.300 63 G C -1.796 173.468 174.900 0.606 0.000 1.352 63 G CA -0.656 44.796 45.100 0.586 0.000 0.789 63 G HN 0.493 nan 8.290 nan 0.000 0.509 64 M N 0.092 119.903 119.600 0.352 0.000 2.365 64 M HA 0.632 5.112 4.480 -0.000 0.000 0.287 64 M C -1.177 175.208 176.300 0.142 0.000 1.154 64 M CA -0.728 54.742 55.300 0.283 0.000 0.941 64 M CB 2.011 34.801 32.600 0.316 0.000 1.704 64 M HN 0.941 nan 8.290 nan 0.000 0.479 65 A N 4.513 127.404 122.820 0.117 0.000 2.331 65 A HA 0.682 5.002 4.320 -0.000 0.000 0.283 65 A C -0.298 177.319 177.584 0.055 0.000 1.142 65 A CA -0.417 51.662 52.037 0.071 0.000 0.812 65 A CB 0.366 19.398 19.000 0.053 0.000 1.074 65 A HN 1.033 nan 8.150 nan 0.000 0.497 66 L N 0.962 122.205 121.223 0.033 0.000 2.966 66 L HA 0.210 4.549 4.340 -0.000 0.000 0.262 66 L C -0.259 176.622 176.870 0.018 0.000 1.068 66 L CA 0.008 54.863 54.840 0.026 0.000 1.004 66 L CB 0.221 42.282 42.059 0.004 0.000 1.629 66 L HN 0.560 nan 8.230 nan 0.000 0.542 67 N N 1.407 120.113 118.700 0.009 0.000 2.511 67 N HA 0.387 5.127 4.740 -0.000 0.000 0.249 67 N C -0.395 175.116 175.510 0.001 0.000 0.971 67 N CA -0.075 52.978 53.050 0.004 0.000 0.938 67 N CB 1.349 39.835 38.487 -0.003 0.000 1.131 67 N HN 0.060 nan 8.380 nan 0.000 0.505 68 L N 1.724 122.947 121.223 -0.000 0.000 3.035 68 L HA 0.235 4.575 4.340 -0.000 0.000 0.232 68 L C 0.380 177.239 176.870 -0.018 0.000 1.341 68 L CA -0.223 54.610 54.840 -0.011 0.000 1.177 68 L CB -0.655 41.398 42.059 -0.009 0.000 1.555 68 L HN 0.362 nan 8.230 nan 0.000 0.473 69 E N 0.713 120.903 120.200 -0.016 0.000 2.458 69 E HA -0.082 4.268 4.350 -0.000 0.000 0.264 69 E C -1.394 175.187 176.600 -0.032 0.000 1.097 69 E CA -1.174 55.216 56.400 -0.017 0.000 0.973 69 E CB 0.301 29.995 29.700 -0.009 0.000 0.963 69 E HN 0.097 nan 8.360 nan 0.000 0.451 70 P HA -0.198 nan 4.420 nan 0.000 0.212 70 P C 1.292 178.554 177.300 -0.063 0.000 1.178 70 P CA 1.633 64.710 63.100 -0.038 0.000 0.915 70 P CB -0.036 31.652 31.700 -0.019 0.000 0.788 71 G N -0.819 107.958 108.800 -0.038 0.000 2.404 71 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 71 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 71 G C 0.839 175.680 174.900 -0.099 0.000 1.189 71 G CA 0.604 45.680 45.100 -0.040 0.000 0.789 71 G HN 0.453 nan 8.290 nan 0.000 0.533 72 Q N -1.412 118.364 119.800 -0.039 0.000 3.105 72 Q HA 0.702 5.041 4.340 -0.000 0.000 0.280 72 Q C -1.683 174.296 176.000 -0.036 0.000 1.042 72 Q CA -0.857 54.930 55.803 -0.026 0.000 0.857 72 Q CB 2.139 30.908 28.738 0.052 0.000 1.468 72 Q HN 0.020 nan 8.270 nan 0.000 0.494 73 V N 0.043 119.952 119.914 -0.007 0.000 2.668 73 V HA 0.521 4.641 4.120 -0.000 0.000 0.304 73 V C -0.292 175.814 176.094 0.021 0.000 1.071 73 V CA -0.578 61.720 62.300 -0.003 0.000 0.894 73 V CB 1.679 33.494 31.823 -0.014 0.000 1.008 73 V HN 0.871 nan 8.190 nan 0.000 0.425 74 G N 4.906 113.715 108.800 0.016 0.000 2.349 74 G HA2 0.643 4.602 3.960 -0.000 0.000 0.281 74 G HA3 0.643 4.602 3.960 -0.000 0.000 0.281 74 G C -0.641 174.277 174.900 0.029 0.000 1.182 74 G CA -0.154 44.956 45.100 0.018 0.000 0.899 74 G HN 0.604 nan 8.290 nan 0.000 0.455 75 I N 3.021 123.621 120.570 0.050 0.000 2.468 75 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 75 I C 0.064 176.203 176.117 0.037 0.000 1.039 75 I CA -1.132 60.216 61.300 0.080 0.000 1.074 75 I CB 2.296 40.401 38.000 0.176 0.000 1.228 75 I HN 0.371 nan 8.210 nan 0.000 0.436 76 V N 5.722 125.617 119.914 -0.032 0.000 2.432 76 V HA 0.451 4.571 4.120 -0.000 0.000 0.271 76 V C 0.125 176.094 176.094 -0.208 0.000 1.046 76 V CA -0.527 61.688 62.300 -0.141 0.000 0.945 76 V CB 0.752 32.442 31.823 -0.221 0.000 0.992 76 V HN 0.529 nan 8.190 nan 0.000 0.471 77 L N 3.933 125.041 121.223 -0.192 0.000 2.464 77 L HA 0.363 4.703 4.340 -0.000 0.000 0.264 77 L C 0.700 177.406 176.870 -0.273 0.000 1.199 77 L CA 0.034 54.764 54.840 -0.183 0.000 0.818 77 L CB 0.551 42.480 42.059 -0.217 0.000 1.102 77 L HN 0.629 nan 8.230 nan 0.000 0.473 78 F N -0.346 119.581 119.950 -0.038 0.000 2.678 78 F HA 0.281 4.807 4.527 -0.000 0.000 0.305 78 F C 1.097 176.884 175.800 -0.021 0.000 1.090 78 F CA 0.016 58.013 58.000 -0.005 0.000 1.272 78 F CB 0.729 39.741 39.000 0.020 0.000 1.060 78 F HN 0.515 nan 8.300 nan 0.000 0.576 79 G N -1.071 107.773 108.800 0.073 0.000 3.183 79 G HA2 0.346 4.306 3.960 -0.000 0.000 0.247 79 G HA3 0.346 4.306 3.960 -0.000 0.000 0.247 79 G C -0.747 174.135 174.900 -0.031 0.000 1.211 79 G CA -0.414 44.702 45.100 0.027 0.000 0.835 79 G HN -0.080 nan 8.290 nan 0.000 0.604 80 S N -1.032 114.648 115.700 -0.033 0.000 2.598 80 S HA 0.197 4.667 4.470 -0.000 0.000 0.256 80 S C 0.545 175.098 174.600 -0.078 0.000 1.350 80 S CA 0.392 58.566 58.200 -0.043 0.000 0.984 80 S CB 0.546 63.729 63.200 -0.028 0.000 0.930 80 S HN 0.423 nan 8.310 nan 0.000 0.577 81 D N 0.794 121.155 120.400 -0.065 0.000 2.394 81 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 81 D C 2.052 178.319 176.300 -0.057 0.000 0.990 81 D CA 0.530 54.485 54.000 -0.075 0.000 0.902 81 D CB -0.356 40.411 40.800 -0.054 0.000 1.038 81 D HN 0.719 nan 8.370 nan 0.000 0.499 82 R N 1.456 121.935 120.500 -0.036 0.000 2.170 82 R HA -0.086 4.254 4.340 -0.000 0.000 0.242 82 R C 2.013 178.303 176.300 -0.016 0.000 1.145 82 R CA 0.983 57.072 56.100 -0.020 0.000 0.984 82 R CB -0.889 29.403 30.300 -0.012 0.000 0.869 82 R HN 0.182 nan 8.270 nan 0.000 0.455 83 L N 1.346 122.551 121.223 -0.030 0.000 2.083 83 L HA -0.028 4.311 4.340 -0.000 0.000 0.209 83 L C 0.747 177.617 176.870 -0.001 0.000 1.083 83 L CA 0.590 55.419 54.840 -0.019 0.000 0.752 83 L CB -0.202 41.835 42.059 -0.038 0.000 0.899 83 L HN 0.015 nan 8.230 nan 0.000 0.433 84 V N 0.887 120.782 119.914 -0.032 0.000 2.461 84 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 84 V C 0.176 176.301 176.094 0.050 0.000 1.047 84 V CA -0.318 61.999 62.300 0.029 0.000 0.955 84 V CB 1.151 32.950 31.823 -0.040 0.000 0.988 84 V HN 0.203 nan 8.190 nan 0.000 0.471 85 K N 2.559 123.007 120.400 0.082 0.000 2.312 85 K HA 0.539 4.859 4.320 -0.000 0.000 0.236 85 K C -0.361 176.281 176.600 0.070 0.000 1.079 85 K CA -0.946 55.376 56.287 0.059 0.000 0.900 85 K CB 1.635 34.162 32.500 0.046 0.000 1.297 85 K HN 0.694 nan 8.250 nan 0.000 0.498 86 E N -0.110 120.119 120.200 0.048 0.000 2.354 86 E HA 0.155 4.505 4.350 -0.000 0.000 0.269 86 E C 0.296 176.918 176.600 0.038 0.000 1.036 86 E CA 0.549 56.974 56.400 0.042 0.000 0.876 86 E CB 0.483 30.198 29.700 0.024 0.000 1.009 86 E HN 0.712 nan 8.360 nan 0.000 0.416 87 G N 3.378 112.200 108.800 0.036 0.000 2.155 87 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 87 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 87 G C 0.144 175.064 174.900 0.033 0.000 0.983 87 G CA 0.649 45.763 45.100 0.024 0.000 0.676 87 G HN 0.650 nan 8.290 nan 0.000 0.528 88 E N -0.323 119.911 120.200 0.056 0.000 2.373 88 E HA 0.470 4.820 4.350 -0.000 0.000 0.267 88 E C 0.662 177.274 176.600 0.020 0.000 1.032 88 E CA -0.768 55.670 56.400 0.064 0.000 0.889 88 E CB 0.439 30.218 29.700 0.132 0.000 0.984 88 E HN 0.386 nan 8.360 nan 0.000 0.425 89 L N 4.901 126.124 121.223 0.001 0.000 2.331 89 L HA 0.271 4.610 4.340 -0.000 0.000 0.278 89 L C -1.190 175.600 176.870 -0.132 0.000 1.106 89 L CA -0.536 54.279 54.840 -0.043 0.000 0.824 89 L CB 0.847 42.895 42.059 -0.020 0.000 1.142 89 L HN 0.359 nan 8.230 nan 0.000 0.443 90 V N 5.363 125.154 119.914 -0.204 0.000 2.448 90 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 90 V C -0.089 175.879 176.094 -0.210 0.000 1.025 90 V CA -0.858 61.218 62.300 -0.373 0.000 0.859 90 V CB 1.646 33.137 31.823 -0.553 0.000 0.988 90 V HN 0.745 nan 8.190 nan 0.000 0.431 91 K N 3.352 123.648 120.400 -0.172 0.000 2.177 91 K HA 0.684 5.004 4.320 -0.000 0.000 0.238 91 K C -0.278 176.279 176.600 -0.072 0.000 1.015 91 K CA -0.880 55.355 56.287 -0.087 0.000 0.922 91 K CB 1.405 33.877 32.500 -0.046 0.000 1.127 91 K HN 0.504 nan 8.250 nan 0.000 0.469 92 R N -0.369 120.107 120.500 -0.039 0.000 2.674 92 R HA 0.287 4.627 4.340 -0.000 0.000 0.266 92 R C 0.310 176.606 176.300 -0.006 0.000 1.016 92 R CA -0.466 55.621 56.100 -0.020 0.000 1.062 92 R CB 1.467 31.757 30.300 -0.017 0.000 1.142 92 R HN 0.605 nan 8.270 nan 0.000 0.517 93 T N -0.803 113.753 114.554 0.004 0.000 2.955 93 T HA 0.140 4.490 4.350 -0.000 0.000 0.251 93 T C 1.110 175.812 174.700 0.004 0.000 1.002 93 T CA 0.432 62.535 62.100 0.005 0.000 0.970 93 T CB 0.656 69.530 68.868 0.010 0.000 1.091 93 T HN 0.917 nan 8.240 nan 0.000 0.495 94 G N 2.304 111.107 108.800 0.005 0.000 2.189 94 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 94 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 94 G C -0.107 174.798 174.900 0.008 0.000 0.975 94 G CA 0.148 45.252 45.100 0.005 0.000 0.644 94 G HN 0.518 nan 8.290 nan 0.000 0.537 95 N N -0.210 118.495 118.700 0.009 0.000 2.362 95 N HA 0.656 5.395 4.740 -0.000 0.000 0.298 95 N C -0.124 175.395 175.510 0.016 0.000 1.048 95 N CA -0.578 52.477 53.050 0.008 0.000 0.858 95 N CB 1.229 39.716 38.487 0.000 0.000 1.218 95 N HN 0.149 nan 8.380 nan 0.000 0.488 96 I N 1.155 121.736 120.570 0.017 0.000 2.474 96 I HA 0.081 4.251 4.170 -0.000 0.000 0.287 96 I C 0.246 176.373 176.117 0.018 0.000 1.048 96 I CA -0.905 60.409 61.300 0.024 0.000 1.383 96 I CB 0.522 38.536 38.000 0.024 0.000 1.412 96 I HN 0.326 nan 8.210 nan 0.000 0.531 97 V N 3.512 123.441 119.914 0.025 0.000 2.703 97 V HA 0.050 4.170 4.120 -0.000 0.000 0.300 97 V C -0.234 175.861 176.094 0.001 0.000 1.063 97 V CA -0.175 62.131 62.300 0.010 0.000 1.240 97 V CB -1.143 30.703 31.823 0.039 0.000 0.845 97 V HN 0.880 nan 8.190 nan 0.000 0.476 98 D N 3.897 124.291 120.400 -0.011 0.000 2.596 98 D HA 0.721 5.361 4.640 -0.000 0.000 0.234 98 D C -0.573 175.721 176.300 -0.009 0.000 1.181 98 D CA -0.513 53.487 54.000 -0.001 0.000 0.856 98 D CB 2.302 43.104 40.800 0.003 0.000 1.498 98 D HN 0.879 nan 8.370 nan 0.000 0.446 99 V N -3.656 116.260 119.914 0.004 0.000 2.925 99 V HA 0.674 4.793 4.120 -0.000 0.000 0.311 99 V C -2.920 173.172 176.094 -0.004 0.000 1.104 99 V CA -2.230 60.069 62.300 -0.002 0.000 0.954 99 V CB 1.969 33.797 31.823 0.009 0.000 1.022 99 V HN 0.488 nan 8.190 nan 0.000 0.427 100 P HA 0.309 nan 4.420 nan 0.000 0.271 100 P C -0.462 176.804 177.300 -0.057 0.000 1.216 100 P CA 0.210 63.285 63.100 -0.040 0.000 0.771 100 P CB 1.348 33.017 31.700 -0.051 0.000 0.864 101 V N -0.162 119.697 119.914 -0.091 0.000 3.040 101 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 101 V C 0.043 175.860 176.094 -0.462 0.000 1.115 101 V CA -0.357 61.844 62.300 -0.166 0.000 0.998 101 V CB 1.575 33.392 31.823 -0.010 0.000 1.042 101 V HN 0.958 nan 8.190 nan 0.000 0.433 102 G N 2.018 110.285 108.800 -0.890 0.000 2.362 102 G HA2 0.355 4.315 3.960 -0.000 0.000 0.288 102 G HA3 0.355 4.315 3.960 -0.000 0.000 0.288 102 G C -3.042 171.046 174.900 -1.353 0.000 1.305 102 G CA 0.137 44.282 45.100 -1.591 0.000 0.910 102 G HN 0.559 nan 8.290 nan 0.000 0.518 103 P HA 0.121 nan 4.420 nan 0.000 0.227 103 P C 1.950 179.057 177.300 -0.322 0.000 1.161 103 P CA 1.471 64.162 63.100 -0.681 0.000 0.788 103 P CB 0.066 31.481 31.700 -0.475 0.000 0.822 104 G N 0.389 109.003 108.800 -0.310 0.000 2.462 104 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 104 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 104 G C 1.385 176.213 174.900 -0.119 0.000 1.121 104 G CA 0.420 45.416 45.100 -0.173 0.000 0.758 104 G HN 0.253 nan 8.290 nan 0.000 0.559 105 L N 0.009 121.153 121.223 -0.132 0.000 2.376 105 L HA 0.175 4.515 4.340 -0.000 0.000 0.219 105 L C 1.043 177.901 176.870 -0.020 0.000 1.133 105 L CA -0.342 54.459 54.840 -0.064 0.000 0.816 105 L CB -0.238 41.790 42.059 -0.052 0.000 0.933 105 L HN 0.127 nan 8.230 nan 0.000 0.449 106 L N 0.570 121.788 121.223 -0.007 0.000 2.559 106 L HA 0.007 4.346 4.340 -0.000 0.000 0.274 106 L C 1.341 178.223 176.870 0.020 0.000 1.205 106 L CA 0.819 55.682 54.840 0.039 0.000 0.907 106 L CB 0.133 42.239 42.059 0.079 0.000 1.153 106 L HN 0.368 nan 8.230 nan 0.000 0.490 107 G N 2.199 111.006 108.800 0.010 0.000 2.143 107 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.249 107 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.249 107 G C 0.250 175.140 174.900 -0.017 0.000 0.981 107 G CA -0.356 44.738 45.100 -0.011 0.000 0.665 107 G HN 0.479 nan 8.290 nan 0.000 0.528 108 R N -0.910 119.582 120.500 -0.014 0.000 2.902 108 R HA 0.782 5.122 4.340 -0.000 0.000 0.258 108 R C -0.493 175.801 176.300 -0.010 0.000 1.071 108 R CA -0.771 55.320 56.100 -0.014 0.000 1.024 108 R CB 1.764 32.054 30.300 -0.017 0.000 1.184 108 R HN 0.293 nan 8.270 nan 0.000 0.492 109 V N 1.754 121.664 119.914 -0.006 0.000 2.443 109 V HA 0.422 4.542 4.120 -0.000 0.000 0.293 109 V C -0.166 175.933 176.094 0.008 0.000 1.021 109 V CA -0.833 61.470 62.300 0.004 0.000 0.848 109 V CB 1.632 33.457 31.823 0.003 0.000 0.998 109 V HN 0.593 nan 8.190 nan 0.000 0.424 110 V N 0.934 120.857 119.914 0.015 0.000 2.914 110 V HA 0.803 4.923 4.120 -0.000 0.000 0.314 110 V C -0.147 175.963 176.094 0.026 0.000 1.084 110 V CA -0.806 61.502 62.300 0.013 0.000 0.963 110 V CB 2.028 33.854 31.823 0.005 0.000 1.025 110 V HN 0.773 nan 8.190 nan 0.000 0.432 111 D N 3.130 123.545 120.400 0.025 0.000 2.348 111 D HA 0.358 4.998 4.640 -0.000 0.000 0.272 111 D C 1.234 177.560 176.300 0.043 0.000 1.237 111 D CA 0.259 54.282 54.000 0.038 0.000 1.042 111 D CB 0.431 41.253 40.800 0.037 0.000 1.117 111 D HN 0.814 nan 8.370 nan 0.000 0.548 112 A N -1.145 121.710 122.820 0.059 0.000 2.119 112 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 112 A C 2.301 179.908 177.584 0.039 0.000 1.152 112 A CA 0.429 52.508 52.037 0.070 0.000 0.708 112 A CB -0.694 18.377 19.000 0.118 0.000 0.805 112 A HN 0.473 nan 8.150 nan 0.000 0.460 113 L N -1.861 119.366 121.223 0.006 0.000 2.509 113 L HA 0.226 4.566 4.340 -0.000 0.000 0.222 113 L C 1.807 178.658 176.870 -0.031 0.000 1.123 113 L CA 0.681 55.493 54.840 -0.046 0.000 0.856 113 L CB 0.046 42.049 42.059 -0.094 0.000 0.985 113 L HN 0.537 nan 8.230 nan 0.000 0.456 114 G N -0.656 108.138 108.800 -0.010 0.000 2.213 114 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.226 114 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.226 114 G C 0.105 174.996 174.900 -0.015 0.000 0.992 114 G CA -0.373 44.720 45.100 -0.011 0.000 0.632 114 G HN 0.319 nan 8.290 nan 0.000 0.511 115 N N 2.874 121.565 118.700 -0.016 0.000 2.492 115 N HA 0.365 5.105 4.740 -0.000 0.000 0.262 115 N C -2.403 173.103 175.510 -0.007 0.000 1.202 115 N CA -0.852 52.189 53.050 -0.015 0.000 0.926 115 N CB 0.794 39.272 38.487 -0.015 0.000 1.078 115 N HN 0.260 nan 8.380 nan 0.000 0.454 116 P HA 0.063 nan 4.420 nan 0.000 0.271 116 P C 0.589 177.888 177.300 -0.001 0.000 1.226 116 P CA 0.066 63.162 63.100 -0.007 0.000 0.765 116 P CB 0.393 32.087 31.700 -0.011 0.000 0.835 117 I N 0.666 121.238 120.570 0.003 0.000 4.139 117 I HA 0.133 4.303 4.170 -0.000 0.000 0.335 117 I C 0.802 176.922 176.117 0.005 0.000 1.327 117 I CA -0.004 61.300 61.300 0.007 0.000 1.112 117 I CB -0.074 37.935 38.000 0.015 0.000 1.058 117 I HN 0.052 nan 8.210 nan 0.000 0.396 118 D N 1.769 122.169 120.400 0.001 0.000 2.340 118 D HA 0.054 4.693 4.640 -0.000 0.000 0.220 118 D C 1.432 177.730 176.300 -0.003 0.000 1.039 118 D CA 0.485 54.484 54.000 -0.002 0.000 0.866 118 D CB -0.265 40.531 40.800 -0.006 0.000 0.913 118 D HN 0.429 nan 8.370 nan 0.000 0.523 119 G N 1.284 110.082 108.800 -0.003 0.000 2.372 119 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.297 119 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.297 119 G C 0.223 175.120 174.900 -0.006 0.000 1.005 119 G CA 0.213 45.311 45.100 -0.003 0.000 1.173 119 G HN 0.451 nan 8.290 nan 0.000 0.511 120 K N 0.185 120.581 120.400 -0.007 0.000 2.934 120 K HA 0.482 4.802 4.320 -0.000 0.000 0.210 120 K C 1.128 177.721 176.600 -0.010 0.000 1.122 120 K CA -0.006 56.275 56.287 -0.009 0.000 1.033 120 K CB 0.652 33.146 32.500 -0.010 0.000 0.779 120 K HN 1.611 nan 8.250 nan 0.000 0.459 121 G N 2.315 111.109 108.800 -0.010 0.000 2.828 121 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.463 121 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.463 121 G C -2.753 172.138 174.900 -0.015 0.000 1.394 121 G CA -1.214 43.879 45.100 -0.011 0.000 0.862 121 G HN 0.067 nan 8.290 nan 0.000 0.540 122 P HA 0.499 nan 4.420 nan 0.000 0.272 122 P C 0.177 177.461 177.300 -0.027 0.000 1.240 122 P CA -0.366 62.722 63.100 -0.021 0.000 0.791 122 P CB 0.297 31.985 31.700 -0.020 0.000 0.978 123 I N -2.084 118.466 120.570 -0.034 0.000 2.488 123 I HA 0.387 4.557 4.170 -0.000 0.000 0.299 123 I C -0.292 175.791 176.117 -0.056 0.000 0.984 123 I CA -0.724 60.548 61.300 -0.046 0.000 1.250 123 I CB 0.126 38.096 38.000 -0.051 0.000 1.389 123 I HN 0.012 nan 8.210 nan 0.000 0.488 124 D N 4.746 125.104 120.400 -0.070 0.000 2.374 124 D HA 0.464 5.104 4.640 -0.000 0.000 0.240 124 D C 0.009 176.246 176.300 -0.105 0.000 1.229 124 D CA 0.238 54.191 54.000 -0.077 0.000 0.895 124 D CB 0.726 41.479 40.800 -0.078 0.000 1.046 124 D HN 0.867 nan 8.370 nan 0.000 0.498 125 A N 2.256 125.024 122.820 -0.085 0.000 2.404 125 A HA 0.490 4.809 4.320 -0.000 0.000 0.273 125 A C 0.886 178.411 177.584 -0.098 0.000 1.144 125 A CA -0.396 51.584 52.037 -0.094 0.000 0.806 125 A CB 0.485 19.448 19.000 -0.062 0.000 1.080 125 A HN 0.577 nan 8.150 nan 0.000 0.509 126 A N 2.569 125.303 122.820 -0.143 0.000 2.574 126 A HA 0.611 4.931 4.320 -0.000 0.000 0.283 126 A C 0.845 178.409 177.584 -0.033 0.000 1.270 126 A CA 0.460 52.433 52.037 -0.108 0.000 0.945 126 A CB -0.728 18.151 19.000 -0.203 0.000 1.127 126 A HN 2.603 nan 8.150 nan 0.000 0.522 127 G N -0.323 108.459 108.800 -0.031 0.000 2.375 127 G HA2 0.194 4.154 3.960 -0.000 0.000 0.663 127 G HA3 0.194 4.154 3.960 -0.000 0.000 0.663 127 G C -1.094 173.808 174.900 0.004 0.000 1.391 127 G CA -1.227 43.880 45.100 0.012 0.000 0.949 127 G HN 0.380 nan 8.290 nan 0.000 0.646 128 R N 0.833 121.343 120.500 0.017 0.000 2.371 128 R HA 0.588 4.928 4.340 -0.000 0.000 0.312 128 R C -0.258 176.062 176.300 0.033 0.000 0.980 128 R CA -0.639 55.469 56.100 0.014 0.000 0.867 128 R CB 1.700 32.002 30.300 0.003 0.000 1.163 128 R HN 0.430 nan 8.270 nan 0.000 0.492 129 S N 2.568 118.297 115.700 0.048 0.000 2.525 129 S HA 0.325 4.794 4.470 -0.000 0.000 0.278 129 S C 0.421 175.049 174.600 0.047 0.000 1.234 129 S CA -0.757 57.478 58.200 0.058 0.000 1.058 129 S CB 1.175 64.427 63.200 0.088 0.000 0.983 129 S HN 0.395 nan 8.310 nan 0.000 0.495 130 R N 0.862 121.388 120.500 0.043 0.000 2.905 130 R HA 0.154 4.493 4.340 -0.000 0.000 0.273 130 R C 1.252 177.581 176.300 0.048 0.000 1.033 130 R CA 0.166 56.288 56.100 0.036 0.000 1.182 130 R CB 0.109 30.429 30.300 0.032 0.000 1.097 130 R HN 0.761 nan 8.270 nan 0.000 0.504 131 A N 1.035 123.877 122.820 0.036 0.000 2.081 131 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 131 A C 0.476 178.102 177.584 0.070 0.000 1.158 131 A CA 0.717 52.786 52.037 0.053 0.000 0.724 131 A CB 0.388 19.395 19.000 0.012 0.000 0.826 131 A HN 0.471 nan 8.150 nan 0.000 0.463 132 Q N 1.023 120.837 119.800 0.024 0.000 2.834 132 Q HA 0.341 4.681 4.340 -0.000 0.000 0.271 132 Q C -1.164 174.872 176.000 0.061 0.000 1.196 132 Q CA -0.005 55.815 55.803 0.027 0.000 1.063 132 Q CB 0.807 29.521 28.738 -0.039 0.000 1.265 132 Q HN 0.220 nan 8.270 nan 0.000 0.526 133 V N 1.963 121.929 119.914 0.086 0.000 2.432 133 V HA 0.217 4.336 4.120 -0.000 0.000 0.275 133 V C 0.603 176.735 176.094 0.062 0.000 1.043 133 V CA -0.613 61.727 62.300 0.066 0.000 0.925 133 V CB 1.270 33.131 31.823 0.063 0.000 0.985 133 V HN 0.394 nan 8.190 nan 0.000 0.466 134 K N 2.998 123.432 120.400 0.055 0.000 2.355 134 K HA 0.500 4.820 4.320 -0.000 0.000 0.270 134 K C 0.333 176.957 176.600 0.040 0.000 1.003 134 K CA -0.099 56.221 56.287 0.054 0.000 0.957 134 K CB 0.614 33.147 32.500 0.055 0.000 0.939 134 K HN 0.830 nan 8.250 nan 0.000 0.482 135 A N 3.616 126.457 122.820 0.035 0.000 2.371 135 A HA 0.282 4.602 4.320 -0.000 0.000 0.257 135 A C -2.108 175.490 177.584 0.024 0.000 1.089 135 A CA -1.331 50.720 52.037 0.023 0.000 0.794 135 A CB -0.386 18.622 19.000 0.014 0.000 1.029 135 A HN 0.458 nan 8.150 nan 0.000 0.488 136 P HA 0.184 nan 4.420 nan 0.000 0.261 136 P C 0.787 178.099 177.300 0.019 0.000 1.183 136 P CA 0.673 63.784 63.100 0.017 0.000 0.761 136 P CB 0.408 32.117 31.700 0.014 0.000 0.785 137 G N 2.283 111.095 108.800 0.019 0.000 2.527 137 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.279 137 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.279 137 G C 1.146 176.057 174.900 0.019 0.000 1.374 137 G CA -0.495 44.617 45.100 0.021 0.000 1.053 137 G HN 0.449 nan 8.290 nan 0.000 0.539 138 I N -0.887 119.695 120.570 0.019 0.000 2.202 138 I HA -0.103 4.066 4.170 -0.000 0.000 0.242 138 I C 2.649 178.775 176.117 0.015 0.000 1.091 138 I CA 0.544 61.854 61.300 0.017 0.000 1.368 138 I CB -0.464 37.546 38.000 0.017 0.000 1.058 138 I HN 0.274 nan 8.210 nan 0.000 0.410 139 L N 2.026 123.257 121.223 0.013 0.000 1.970 139 L HA -0.092 4.247 4.340 -0.000 0.000 0.212 139 L C -1.055 175.822 176.870 0.011 0.000 1.071 139 L CA 2.104 56.950 54.840 0.011 0.000 0.751 139 L CB -1.618 40.446 42.059 0.009 0.000 0.889 139 L HN 0.140 nan 8.230 nan 0.000 0.432 140 P HA 0.166 nan 4.420 nan 0.000 0.230 140 P C -1.038 176.270 177.300 0.013 0.000 1.791 140 P CA 0.376 63.481 63.100 0.009 0.000 1.020 140 P CB -0.060 31.643 31.700 0.005 0.000 1.977 141 R N 1.064 121.574 120.500 0.018 0.000 2.668 141 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 141 R C -0.449 175.870 176.300 0.032 0.000 1.019 141 R CA -0.858 55.256 56.100 0.024 0.000 0.894 141 R CB 2.433 32.747 30.300 0.022 0.000 1.228 141 R HN 0.027 nan 8.270 nan 0.000 0.460 142 R N 0.745 121.273 120.500 0.047 0.000 2.599 142 R HA 0.373 4.713 4.340 -0.000 0.000 0.295 142 R C -0.713 175.637 176.300 0.083 0.000 0.963 142 R CA -0.756 55.385 56.100 0.068 0.000 0.883 142 R CB 2.342 32.704 30.300 0.102 0.000 1.171 142 R HN 0.644 nan 8.270 nan 0.000 0.450 143 S N 1.277 117.027 115.700 0.082 0.000 2.563 143 S HA 0.007 4.476 4.470 -0.000 0.000 0.294 143 S C 0.573 175.259 174.600 0.143 0.000 1.279 143 S CA -0.366 57.885 58.200 0.084 0.000 1.069 143 S CB 0.366 63.603 63.200 0.062 0.000 0.828 143 S HN 0.256 nan 8.310 nan 0.000 0.497 144 V N 5.657 125.612 119.914 0.068 0.000 2.540 144 V HA 0.041 4.160 4.120 -0.000 0.000 0.297 144 V C 1.444 177.566 176.094 0.047 0.000 1.024 144 V CA 0.544 62.848 62.300 0.007 0.000 1.105 144 V CB -0.374 31.432 31.823 -0.028 0.000 0.938 144 V HN 1.102 nan 8.190 nan 0.000 0.482 145 H N 1.658 120.704 119.070 -0.040 0.000 3.899 145 H HA 0.289 4.845 4.556 -0.000 0.000 0.260 145 H C 0.154 175.440 175.328 -0.070 0.000 1.122 145 H CA -0.429 55.593 56.048 -0.044 0.000 1.165 145 H CB 0.721 30.463 29.762 -0.034 0.000 1.503 145 H HN 0.602 nan 8.280 nan 0.000 0.671 146 E N 4.278 124.167 120.200 -0.518 0.000 2.105 146 E HA 0.283 4.632 4.350 -0.000 0.000 0.285 146 E C -2.535 173.894 176.600 -0.284 0.000 1.055 146 E CA -2.021 54.143 56.400 -0.394 0.000 0.843 146 E CB 1.551 30.924 29.700 -0.546 0.000 1.067 146 E HN 0.282 nan 8.360 nan 0.000 0.398 147 P HA -0.004 nan 4.420 nan 0.000 0.272 147 P C -0.755 176.403 177.300 -0.236 0.000 1.230 147 P CA -0.263 62.733 63.100 -0.172 0.000 0.788 147 P CB 0.659 32.287 31.700 -0.120 0.000 0.949 148 V N 2.765 122.577 119.914 -0.170 0.000 2.289 148 V HA 0.154 4.274 4.120 -0.000 0.000 0.272 148 V C 0.106 176.155 176.094 -0.075 0.000 1.026 148 V CA -0.392 61.806 62.300 -0.171 0.000 0.807 148 V CB 0.424 32.173 31.823 -0.123 0.000 1.044 148 V HN 0.466 nan 8.190 nan 0.000 0.443 149 Q N 1.984 121.753 119.800 -0.051 0.000 2.263 149 Q HA 0.096 4.435 4.340 -0.000 0.000 0.270 149 Q C 1.319 177.411 176.000 0.153 0.000 1.104 149 Q CA 0.360 56.234 55.803 0.118 0.000 0.909 149 Q CB 0.839 29.783 28.738 0.343 0.000 1.214 149 Q HN 0.895 nan 8.270 nan 0.000 0.400 150 T N -1.050 113.557 114.554 0.088 0.000 3.081 150 T HA 0.150 4.500 4.350 -0.000 0.000 0.255 150 T C 1.436 176.176 174.700 0.066 0.000 1.113 150 T CA 0.378 62.520 62.100 0.069 0.000 1.082 150 T CB 0.173 69.063 68.868 0.036 0.000 0.939 150 T HN 0.861 nan 8.240 nan 0.000 0.506 151 G N 1.451 110.297 108.800 0.077 0.000 2.284 151 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.261 151 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.261 151 G C 0.019 174.942 174.900 0.037 0.000 0.997 151 G CA 0.312 45.444 45.100 0.054 0.000 0.621 151 G HN 0.632 nan 8.290 nan 0.000 0.534 152 L N 0.946 122.187 121.223 0.031 0.000 2.313 152 L HA 0.350 4.690 4.340 -0.000 0.000 0.282 152 L C 1.787 178.673 176.870 0.027 0.000 1.092 152 L CA -0.476 54.377 54.840 0.022 0.000 0.831 152 L CB 1.023 43.089 42.059 0.011 0.000 1.159 152 L HN 0.119 nan 8.230 nan 0.000 0.442 153 K N 2.716 123.133 120.400 0.027 0.000 1.977 153 K HA -0.255 4.065 4.320 -0.000 0.000 0.218 153 K C 2.033 178.650 176.600 0.028 0.000 1.051 153 K CA 1.905 58.210 56.287 0.030 0.000 0.953 153 K CB -0.295 32.222 32.500 0.028 0.000 0.727 153 K HN 0.818 nan 8.250 nan 0.000 0.445 154 A N 1.024 123.859 122.820 0.025 0.000 1.903 154 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 154 A C 2.410 180.011 177.584 0.029 0.000 1.191 154 A CA 2.119 54.172 52.037 0.028 0.000 0.638 154 A CB -1.009 18.007 19.000 0.027 0.000 0.823 154 A HN 0.138 nan 8.150 nan 0.000 0.451 155 V N 0.456 120.385 119.914 0.025 0.000 2.214 155 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 155 V C 2.272 178.381 176.094 0.025 0.000 1.047 155 V CA 2.440 64.754 62.300 0.024 0.000 0.998 155 V CB -0.937 30.897 31.823 0.019 0.000 0.633 155 V HN 0.525 nan 8.190 nan 0.000 0.446 156 D N 0.006 120.422 120.400 0.027 0.000 2.182 156 D HA -0.116 4.523 4.640 -0.000 0.000 0.201 156 D C 2.078 178.395 176.300 0.029 0.000 0.986 156 D CA 1.596 55.613 54.000 0.028 0.000 0.847 156 D CB -0.320 40.502 40.800 0.038 0.000 0.942 156 D HN 0.454 nan 8.370 nan 0.000 0.467 157 A N -0.069 122.769 122.820 0.031 0.000 1.872 157 A HA -0.017 4.302 4.320 -0.000 0.000 0.214 157 A C 2.272 179.875 177.584 0.032 0.000 1.187 157 A CA 0.796 52.853 52.037 0.032 0.000 0.614 157 A CB -0.351 18.669 19.000 0.033 0.000 0.826 157 A HN 0.186 nan 8.150 nan 0.000 0.442 158 L N -0.831 120.412 121.223 0.033 0.000 2.262 158 L HA 0.110 4.450 4.340 -0.000 0.000 0.197 158 L C 0.345 177.234 176.870 0.032 0.000 1.073 158 L CA 0.640 55.502 54.840 0.036 0.000 0.800 158 L CB 0.042 42.126 42.059 0.042 0.000 0.987 158 L HN 0.261 nan 8.230 nan 0.000 0.470 159 V N -1.782 118.149 119.914 0.029 0.000 2.313 159 V HA 0.426 4.545 4.120 -0.000 0.000 0.262 159 V C -2.642 173.462 176.094 0.016 0.000 1.011 159 V CA -1.990 60.324 62.300 0.024 0.000 0.858 159 V CB 0.038 31.878 31.823 0.028 0.000 1.104 159 V HN -0.058 nan 8.190 nan 0.000 0.456 160 P HA 0.335 nan 4.420 nan 0.000 0.269 160 P C -0.506 176.790 177.300 -0.008 0.000 1.215 160 P CA 0.086 63.188 63.100 0.003 0.000 0.780 160 P CB 1.321 33.021 31.700 0.000 0.000 0.898 161 I N 0.714 121.272 120.570 -0.019 0.000 2.525 161 I HA 0.533 4.703 4.170 -0.000 0.000 0.301 161 I C 1.056 177.138 176.117 -0.058 0.000 0.992 161 I CA -0.501 60.781 61.300 -0.030 0.000 1.162 161 I CB 0.996 38.980 38.000 -0.027 0.000 1.332 161 I HN 0.391 nan 8.210 nan 0.000 0.458 162 G N 4.326 113.089 108.800 -0.061 0.000 2.473 162 G HA2 0.558 4.518 3.960 -0.000 0.000 0.321 162 G HA3 0.558 4.518 3.960 -0.000 0.000 0.321 162 G C -0.536 174.300 174.900 -0.106 0.000 1.200 162 G CA -0.889 44.155 45.100 -0.093 0.000 0.963 162 G HN 0.502 nan 8.290 nan 0.000 0.483 163 R N 0.371 120.774 120.500 -0.161 0.000 2.248 163 R HA 0.425 4.765 4.340 -0.000 0.000 0.337 163 R C 1.091 177.342 176.300 -0.082 0.000 1.085 163 R CA 0.958 56.971 56.100 -0.146 0.000 0.934 163 R CB 0.660 30.802 30.300 -0.263 0.000 1.034 163 R HN 1.075 nan 8.270 nan 0.000 0.465 164 G N 1.858 110.637 108.800 -0.034 0.000 2.231 164 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.206 164 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.206 164 G C 0.154 175.047 174.900 -0.012 0.000 0.996 164 G CA -0.227 44.867 45.100 -0.010 0.000 0.645 164 G HN 0.565 nan 8.290 nan 0.000 0.498 165 Q N 0.506 120.291 119.800 -0.024 0.000 2.354 165 Q HA 0.615 4.955 4.340 -0.000 0.000 0.244 165 Q C -0.069 175.926 176.000 -0.009 0.000 0.969 165 Q CA -0.466 55.326 55.803 -0.017 0.000 0.885 165 Q CB 0.416 29.139 28.738 -0.025 0.000 1.241 165 Q HN 0.421 nan 8.270 nan 0.000 0.461 166 R N 2.711 123.208 120.500 -0.006 0.000 2.312 166 R HA 0.223 4.563 4.340 -0.000 0.000 0.310 166 R C -1.300 174.999 176.300 -0.002 0.000 1.064 166 R CA -0.485 55.614 56.100 -0.001 0.000 0.983 166 R CB 1.154 31.447 30.300 -0.011 0.000 1.139 166 R HN 0.498 nan 8.270 nan 0.000 0.536 167 E N 2.745 122.947 120.200 0.003 0.000 2.133 167 E HA 0.210 4.560 4.350 -0.000 0.000 0.274 167 E C -1.370 175.236 176.600 0.010 0.000 0.930 167 E CA -0.845 55.558 56.400 0.005 0.000 0.770 167 E CB 1.025 30.727 29.700 0.004 0.000 1.104 167 E HN 0.291 nan 8.360 nan 0.000 0.403 168 L N 5.375 126.603 121.223 0.008 0.000 2.289 168 L HA 0.484 4.824 4.340 -0.000 0.000 0.285 168 L C -1.116 175.766 176.870 0.021 0.000 1.049 168 L CA -0.302 54.543 54.840 0.008 0.000 0.804 168 L CB 0.903 42.958 42.059 -0.008 0.000 1.195 168 L HN 0.584 nan 8.230 nan 0.000 0.428 169 I N 6.934 127.513 120.570 0.016 0.000 2.282 169 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 169 I C -0.003 176.124 176.117 0.017 0.000 1.090 169 I CA 0.305 61.613 61.300 0.014 0.000 1.231 169 I CB 0.531 38.529 38.000 -0.004 0.000 1.434 169 I HN 0.518 nan 8.210 nan 0.000 0.487 170 I N 5.325 125.931 120.570 0.060 0.000 2.412 170 I HA 0.904 5.074 4.170 -0.000 0.000 0.296 170 I C 0.213 176.352 176.117 0.037 0.000 0.987 170 I CA 0.119 61.480 61.300 0.101 0.000 1.180 170 I CB 1.250 39.372 38.000 0.204 0.000 1.340 170 I HN 0.629 nan 8.210 nan 0.000 0.455 171 G N 4.779 113.564 108.800 -0.025 0.000 2.325 171 G HA2 0.169 4.129 3.960 -0.000 0.000 0.297 171 G HA3 0.169 4.129 3.960 -0.000 0.000 0.297 171 G C -1.905 172.931 174.900 -0.107 0.000 1.448 171 G CA -0.778 44.194 45.100 -0.213 0.000 0.838 171 G HN 0.557 nan 8.290 nan 0.000 0.579 172 D N -0.286 120.035 120.400 -0.133 0.000 2.398 172 D HA 0.477 5.117 4.640 -0.000 0.000 0.264 172 D C 1.180 177.426 176.300 -0.091 0.000 1.263 172 D CA -0.191 53.768 54.000 -0.067 0.000 1.037 172 D CB 0.330 41.105 40.800 -0.043 0.000 1.101 172 D HN 0.661 nan 8.370 nan 0.000 0.551 173 R N 0.184 120.649 120.500 -0.058 0.000 2.594 173 R HA 0.198 4.538 4.340 -0.000 0.000 0.272 173 R C -0.301 175.932 176.300 -0.113 0.000 1.074 173 R CA -0.466 55.596 56.100 -0.063 0.000 1.105 173 R CB 0.298 30.585 30.300 -0.021 0.000 1.008 173 R HN 0.147 nan 8.270 nan 0.000 0.472 174 Q N -0.539 119.179 119.800 -0.137 0.000 2.481 174 Q HA -0.165 4.175 4.340 -0.000 0.000 0.258 174 Q C 0.455 176.166 176.000 -0.482 0.000 0.961 174 Q CA 1.880 57.560 55.803 -0.204 0.000 1.121 174 Q CB -2.285 26.397 28.738 -0.094 0.000 1.503 174 Q HN 1.031 nan 8.270 nan 0.000 0.544 175 T N -4.289 109.974 114.554 -0.484 0.000 3.086 175 T HA 0.420 4.770 4.350 -0.000 0.000 0.250 175 T C 1.170 175.486 174.700 -0.638 0.000 1.074 175 T CA 0.855 62.513 62.100 -0.736 0.000 0.988 175 T CB 0.704 69.305 68.868 -0.444 0.000 0.988 175 T HN 0.964 nan 8.240 nan 0.000 0.530 176 G N 1.952 110.507 108.800 -0.409 0.000 2.204 176 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.244 176 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.244 176 G C 0.622 175.444 174.900 -0.130 0.000 1.062 176 G CA 0.302 45.279 45.100 -0.206 0.000 0.798 176 G HN 0.533 nan 8.290 nan 0.000 0.496 177 K N -0.685 119.639 120.400 -0.127 0.000 2.002 177 K HA -0.069 4.250 4.320 -0.000 0.000 0.209 177 K C 2.592 179.169 176.600 -0.038 0.000 1.048 177 K CA 1.859 58.098 56.287 -0.080 0.000 0.930 177 K CB -0.309 32.148 32.500 -0.072 0.000 0.714 177 K HN 0.350 nan 8.250 nan 0.000 0.438 178 T N 1.379 115.922 114.554 -0.017 0.000 2.833 178 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 178 T C 1.995 176.696 174.700 0.001 0.000 1.054 178 T CA 1.180 63.300 62.100 0.034 0.000 1.135 178 T CB -0.267 68.644 68.868 0.073 0.000 0.869 178 T HN 0.323 nan 8.240 nan 0.000 0.466 179 A N 1.377 124.170 122.820 -0.045 0.000 1.851 179 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 179 A C 2.599 180.125 177.584 -0.096 0.000 1.195 179 A CA 1.713 53.691 52.037 -0.097 0.000 0.622 179 A CB -1.215 17.728 19.000 -0.095 0.000 0.831 179 A HN 0.344 nan 8.150 nan 0.000 0.444 180 V N -0.075 119.803 119.914 -0.060 0.000 2.324 180 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 180 V C 3.042 179.120 176.094 -0.026 0.000 1.060 180 V CA 2.164 64.438 62.300 -0.043 0.000 1.042 180 V CB -1.379 30.428 31.823 -0.027 0.000 0.650 180 V HN 0.661 nan 8.190 nan 0.000 0.450 181 A N -0.164 122.652 122.820 -0.006 0.000 1.858 181 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 181 A C 2.173 179.774 177.584 0.029 0.000 1.190 181 A CA 2.112 54.163 52.037 0.025 0.000 0.617 181 A CB -0.661 18.374 19.000 0.058 0.000 0.827 181 A HN 0.444 nan 8.150 nan 0.000 0.443 182 L N 0.440 121.668 121.223 0.009 0.000 1.971 182 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 182 L C 1.670 178.502 176.870 -0.064 0.000 1.072 182 L CA 2.835 57.654 54.840 -0.036 0.000 0.758 182 L CB -0.922 41.081 42.059 -0.092 0.000 0.889 182 L HN 0.382 nan 8.230 nan 0.000 0.433 183 D N -1.070 119.265 120.400 -0.108 0.000 2.228 183 D HA -0.177 4.462 4.640 -0.000 0.000 0.203 183 D C 2.080 178.368 176.300 -0.020 0.000 0.988 183 D CA 1.654 55.594 54.000 -0.100 0.000 0.864 183 D CB -0.303 40.423 40.800 -0.122 0.000 0.928 183 D HN 0.450 nan 8.370 nan 0.000 0.469 184 T N 0.371 114.927 114.554 0.004 0.000 2.708 184 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 184 T C 2.010 176.756 174.700 0.077 0.000 1.037 184 T CA 0.576 62.700 62.100 0.040 0.000 1.146 184 T CB -0.186 68.701 68.868 0.033 0.000 0.865 184 T HN 0.076 nan 8.240 nan 0.000 0.435 185 I N 1.140 121.758 120.570 0.080 0.000 2.208 185 I HA -0.124 4.045 4.170 -0.000 0.000 0.245 185 I C 2.220 178.464 176.117 0.211 0.000 1.097 185 I CA 1.203 62.594 61.300 0.152 0.000 1.363 185 I CB -0.624 37.440 38.000 0.106 0.000 1.051 185 I HN 0.196 nan 8.210 nan 0.000 0.413 186 L N -0.147 121.140 121.223 0.106 0.000 2.046 186 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 186 L C 2.275 179.221 176.870 0.126 0.000 1.077 186 L CA 1.551 56.455 54.840 0.107 0.000 0.747 186 L CB -0.825 41.216 42.059 -0.031 0.000 0.896 186 L HN 0.314 nan 8.230 nan 0.000 0.432 187 N N -0.241 118.510 118.700 0.084 0.000 2.309 187 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 187 N C 1.741 177.265 175.510 0.024 0.000 1.018 187 N CA 0.874 53.952 53.050 0.047 0.000 0.876 187 N CB 0.044 38.573 38.487 0.069 0.000 0.972 187 N HN 0.227 nan 8.380 nan 0.000 0.434 188 Q N 0.185 120.051 119.800 0.111 0.000 2.541 188 Q HA -0.071 4.268 4.340 -0.000 0.000 0.215 188 Q C 1.442 177.354 176.000 -0.146 0.000 0.977 188 Q CA 0.379 56.268 55.803 0.144 0.000 0.934 188 Q CB -0.086 28.689 28.738 0.061 0.000 0.988 188 Q HN 0.523 nan 8.270 nan 0.000 0.521 189 K N 1.287 121.591 120.400 -0.160 0.000 2.097 189 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 189 K C 1.769 178.223 176.600 -0.242 0.000 1.049 189 K CA 0.836 57.016 56.287 -0.179 0.000 0.933 189 K CB 0.161 32.687 32.500 0.045 0.000 0.717 189 K HN 0.124 nan 8.250 nan 0.000 0.442 190 R N -0.620 119.636 120.500 -0.407 0.000 2.139 190 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 190 R C 1.725 177.709 176.300 -0.527 0.000 1.145 190 R CA 1.588 57.335 56.100 -0.588 0.000 0.976 190 R CB -0.178 29.507 30.300 -1.025 0.000 0.866 190 R HN 0.414 nan 8.270 nan 0.000 0.449 191 W N -0.098 121.112 121.300 -0.150 0.000 2.907 191 W HA 0.209 4.869 4.660 -0.001 0.000 0.271 191 W C 1.237 177.636 176.519 -0.201 0.000 1.253 191 W CA -0.481 56.772 57.345 -0.154 0.000 1.501 191 W CB -0.309 29.056 29.460 -0.158 0.000 1.047 191 W HN 0.088 nan 8.180 nan 0.000 0.610 192 N N 1.028 119.659 118.700 -0.114 0.000 2.354 192 N HA -0.100 4.640 4.740 -0.000 0.000 0.179 192 N C 0.976 176.443 175.510 -0.071 0.000 1.021 192 N CA 0.936 53.851 53.050 -0.226 0.000 0.887 192 N CB -0.400 37.717 38.487 -0.617 0.000 0.974 192 N HN 0.106 nan 8.380 nan 0.000 0.437 193 N N 0.271 118.943 118.700 -0.048 0.000 2.353 193 N HA 0.057 4.797 4.740 -0.000 0.000 0.185 193 N C 1.056 176.570 175.510 0.005 0.000 1.098 193 N CA 0.038 53.089 53.050 0.003 0.000 0.872 193 N CB 0.151 38.638 38.487 0.001 0.000 0.970 193 N HN 0.123 nan 8.380 nan 0.000 0.467 194 G N -0.358 108.444 108.800 0.003 0.000 2.525 194 G HA2 0.206 4.166 3.960 -0.000 0.000 0.276 194 G HA3 0.206 4.166 3.960 -0.000 0.000 0.276 194 G C 0.724 175.648 174.900 0.040 0.000 1.388 194 G CA -0.192 44.921 45.100 0.022 0.000 1.050 194 G HN 0.139 nan 8.290 nan 0.000 0.520 195 S N -1.029 114.699 115.700 0.046 0.000 2.452 195 S HA 0.048 4.517 4.470 -0.000 0.000 0.225 195 S C 0.704 175.338 174.600 0.058 0.000 1.057 195 S CA 0.159 58.388 58.200 0.049 0.000 0.949 195 S CB -0.005 63.218 63.200 0.039 0.000 0.836 195 S HN 0.647 nan 8.310 nan 0.000 0.518 196 D N 2.039 122.476 120.400 0.061 0.000 2.363 196 D HA 0.097 4.736 4.640 -0.000 0.000 0.263 196 D C 0.886 177.226 176.300 0.067 0.000 1.258 196 D CA 0.096 54.134 54.000 0.062 0.000 0.907 196 D CB 0.797 41.634 40.800 0.063 0.000 1.107 196 D HN 0.106 nan 8.370 nan 0.000 0.495 197 E N 2.047 122.291 120.200 0.073 0.000 2.110 197 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 197 E C 1.726 178.381 176.600 0.092 0.000 0.988 197 E CA 1.605 58.060 56.400 0.092 0.000 0.804 197 E CB -0.030 29.736 29.700 0.110 0.000 0.745 197 E HN 0.470 nan 8.360 nan 0.000 0.458 198 S N -0.354 115.396 115.700 0.083 0.000 2.447 198 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 198 S C 1.666 176.319 174.600 0.088 0.000 1.006 198 S CA 0.863 59.132 58.200 0.116 0.000 0.957 198 S CB -0.154 63.100 63.200 0.089 0.000 0.773 198 S HN 0.183 nan 8.310 nan 0.000 0.507 199 K N 0.777 121.184 120.400 0.011 0.000 2.426 199 K HA 0.198 4.518 4.320 -0.000 0.000 0.193 199 K C 0.172 176.689 176.600 -0.139 0.000 1.028 199 K CA 0.142 56.359 56.287 -0.116 0.000 1.047 199 K CB 0.186 32.664 32.500 -0.036 0.000 0.821 199 K HN 0.385 nan 8.250 nan 0.000 0.513 200 K N 1.252 121.624 120.400 -0.048 0.000 2.237 200 K HA 0.173 4.492 4.320 -0.000 0.000 0.270 200 K C -0.652 175.841 176.600 -0.178 0.000 1.015 200 K CA -0.378 55.821 56.287 -0.146 0.000 0.949 200 K CB 0.804 33.150 32.500 -0.257 0.000 0.976 200 K HN -0.156 nan 8.250 nan 0.000 0.472 201 L N 3.953 125.015 121.223 -0.267 0.000 2.492 201 L HA 0.282 4.622 4.340 -0.000 0.000 0.258 201 L C -1.492 175.272 176.870 -0.178 0.000 1.028 201 L CA -0.422 54.321 54.840 -0.162 0.000 0.900 201 L CB 0.224 42.197 42.059 -0.144 0.000 1.191 201 L HN 0.452 nan 8.230 nan 0.000 0.459 202 Y N 2.283 122.580 120.300 -0.007 0.000 2.385 202 Y HA 0.357 4.907 4.550 -0.000 0.000 0.346 202 Y C 0.931 176.785 175.900 -0.077 0.000 1.270 202 Y CA 0.195 58.269 58.100 -0.043 0.000 1.472 202 Y CB 0.525 38.810 38.460 -0.292 0.000 1.354 202 Y HN 0.506 nan 8.280 nan 0.000 0.611 203 C N 1.046 120.442 119.300 0.161 0.000 2.614 203 C HA 0.805 5.265 4.460 -0.000 0.000 0.320 203 C C -0.684 174.298 174.990 -0.013 0.000 1.200 203 C CA -1.043 58.018 59.018 0.072 0.000 1.700 203 C CB 1.373 29.205 27.740 0.154 0.000 2.275 203 C HN 0.512 nan 8.230 nan 0.000 0.492 204 V N 2.043 121.933 119.914 -0.039 0.000 2.567 204 V HA 0.327 4.446 4.120 -0.000 0.000 0.298 204 V C -1.373 174.695 176.094 -0.044 0.000 1.047 204 V CA -0.517 61.750 62.300 -0.055 0.000 0.880 204 V CB 1.311 33.064 31.823 -0.117 0.000 1.009 204 V HN 0.820 nan 8.190 nan 0.000 0.429 205 Y N 4.551 124.784 120.300 -0.112 0.000 2.335 205 Y HA 0.667 5.216 4.550 -0.001 0.000 0.338 205 Y C -0.184 175.661 175.900 -0.090 0.000 0.977 205 Y CA -0.648 57.387 58.100 -0.107 0.000 1.114 205 Y CB 1.927 40.346 38.460 -0.068 0.000 1.182 205 Y HN 0.411 nan 8.280 nan 0.000 0.463 206 V N 6.333 125.971 119.914 -0.459 0.000 2.239 206 V HA 0.471 4.591 4.120 -0.000 0.000 0.267 206 V C 0.169 176.115 176.094 -0.247 0.000 1.056 206 V CA -0.847 61.309 62.300 -0.241 0.000 0.830 206 V CB 0.264 31.979 31.823 -0.179 0.000 1.090 206 V HN 0.945 nan 8.190 nan 0.000 0.459 207 A N 4.444 127.229 122.820 -0.057 0.000 2.444 207 A HA 0.577 4.897 4.320 -0.000 0.000 0.287 207 A C -0.111 177.502 177.584 0.049 0.000 1.195 207 A CA 0.044 52.110 52.037 0.050 0.000 0.858 207 A CB 0.010 19.148 19.000 0.229 0.000 1.117 207 A HN 0.656 nan 8.150 nan 0.000 0.521 208 V N 2.545 122.480 119.914 0.035 0.000 2.487 208 V HA 0.669 4.788 4.120 -0.000 0.000 0.298 208 V C 1.180 177.316 176.094 0.070 0.000 1.028 208 V CA 0.351 62.689 62.300 0.063 0.000 0.860 208 V CB 0.881 32.745 31.823 0.070 0.000 0.991 208 V HN 1.777 nan 8.190 nan 0.000 0.427 209 G N 3.691 112.537 108.800 0.076 0.000 2.212 209 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.266 209 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.266 209 G C 0.270 175.209 174.900 0.065 0.000 0.978 209 G CA 0.559 45.702 45.100 0.072 0.000 0.632 209 G HN 0.657 nan 8.290 nan 0.000 0.537 210 Q N 0.351 120.193 119.800 0.069 0.000 2.407 210 Q HA 0.489 4.828 4.340 -0.000 0.000 0.214 210 Q C 0.674 176.711 176.000 0.061 0.000 1.043 210 Q CA 0.096 55.940 55.803 0.068 0.000 0.983 210 Q CB 0.475 29.266 28.738 0.089 0.000 1.211 210 Q HN 0.627 nan 8.270 nan 0.000 0.564 211 K N -0.107 120.325 120.400 0.054 0.000 2.110 211 K HA 0.339 4.659 4.320 -0.000 0.000 0.263 211 K C 0.281 176.908 176.600 0.045 0.000 0.975 211 K CA -0.683 55.631 56.287 0.045 0.000 0.895 211 K CB 1.383 33.906 32.500 0.037 0.000 1.060 211 K HN 0.402 nan 8.250 nan 0.000 0.448 212 R N 0.597 121.120 120.500 0.039 0.000 2.127 212 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 212 R C 2.224 178.541 176.300 0.028 0.000 1.134 212 R CA 1.663 57.784 56.100 0.035 0.000 0.975 212 R CB -0.329 29.989 30.300 0.030 0.000 0.865 212 R HN 0.818 nan 8.270 nan 0.000 0.447 213 S N -0.200 115.515 115.700 0.026 0.000 2.382 213 S HA -0.135 4.334 4.470 -0.000 0.000 0.228 213 S C 1.719 176.331 174.600 0.020 0.000 1.027 213 S CA 1.789 60.002 58.200 0.020 0.000 0.991 213 S CB -0.101 63.111 63.200 0.020 0.000 0.823 213 S HN 0.331 nan 8.310 nan 0.000 0.469 214 T N 1.666 116.237 114.554 0.028 0.000 2.737 214 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 214 T C 1.850 176.561 174.700 0.018 0.000 1.038 214 T CA 1.461 63.578 62.100 0.028 0.000 1.144 214 T CB -0.518 68.376 68.868 0.044 0.000 0.866 214 T HN 0.295 nan 8.240 nan 0.000 0.434 215 V N 1.889 121.820 119.914 0.029 0.000 2.568 215 V HA -0.157 3.963 4.120 -0.000 0.000 0.253 215 V C 2.805 178.890 176.094 -0.015 0.000 1.072 215 V CA 1.557 63.866 62.300 0.015 0.000 1.084 215 V CB -1.214 30.638 31.823 0.047 0.000 0.676 215 V HN 0.532 nan 8.190 nan 0.000 0.469 216 A N -0.531 122.287 122.820 -0.004 0.000 2.016 216 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 216 A C 2.176 179.750 177.584 -0.017 0.000 1.162 216 A CA 1.539 53.570 52.037 -0.010 0.000 0.662 216 A CB -0.312 18.688 19.000 -0.001 0.000 0.812 216 A HN 0.524 nan 8.150 nan 0.000 0.450 217 Q N -0.653 119.139 119.800 -0.013 0.000 2.083 217 Q HA -0.033 4.306 4.340 -0.000 0.000 0.198 217 Q C 1.819 177.802 176.000 -0.028 0.000 0.969 217 Q CA 1.391 57.187 55.803 -0.012 0.000 0.838 217 Q CB -0.388 28.352 28.738 0.004 0.000 0.900 217 Q HN 0.479 nan 8.270 nan 0.000 0.436 218 L N -0.110 121.079 121.223 -0.058 0.000 1.994 218 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 218 L C 2.297 179.099 176.870 -0.114 0.000 1.071 218 L CA 1.940 56.712 54.840 -0.113 0.000 0.745 218 L CB -0.749 41.167 42.059 -0.238 0.000 0.892 218 L HN 0.337 nan 8.230 nan 0.000 0.431 219 V N -2.504 117.346 119.914 -0.107 0.000 2.469 219 V HA -0.333 3.786 4.120 -0.000 0.000 0.251 219 V C 2.309 178.369 176.094 -0.056 0.000 1.064 219 V CA 2.089 64.335 62.300 -0.089 0.000 1.066 219 V CB -1.269 30.514 31.823 -0.067 0.000 0.667 219 V HN 0.722 nan 8.190 nan 0.000 0.461 220 Q N 0.383 120.159 119.800 -0.040 0.000 2.124 220 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 220 Q C 2.243 178.235 176.000 -0.012 0.000 0.977 220 Q CA 2.327 58.115 55.803 -0.025 0.000 0.850 220 Q CB -0.183 28.542 28.738 -0.021 0.000 0.901 220 Q HN 0.766 nan 8.270 nan 0.000 0.429 221 T N 1.032 115.580 114.554 -0.009 0.000 2.942 221 T HA -0.009 4.340 4.350 -0.000 0.000 0.265 221 T C 1.808 176.547 174.700 0.065 0.000 1.062 221 T CA 0.576 62.694 62.100 0.030 0.000 1.139 221 T CB -0.025 68.865 68.868 0.037 0.000 0.883 221 T HN 0.215 nan 8.240 nan 0.000 0.468 222 L N 0.830 122.043 121.223 -0.017 0.000 2.017 222 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 222 L C 2.548 179.416 176.870 -0.004 0.000 1.073 222 L CA 1.447 56.260 54.840 -0.046 0.000 0.745 222 L CB -0.502 41.483 42.059 -0.123 0.000 0.894 222 L HN 0.293 nan 8.230 nan 0.000 0.432 223 E N -0.444 119.747 120.200 -0.015 0.000 2.478 223 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 223 E C 1.823 178.430 176.600 0.010 0.000 1.046 223 E CA 0.316 56.709 56.400 -0.012 0.000 0.870 223 E CB 0.111 29.796 29.700 -0.025 0.000 0.818 223 E HN 0.551 nan 8.360 nan 0.000 0.527 224 Q N -0.687 119.142 119.800 0.049 0.000 2.392 224 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 224 Q C 0.892 176.865 176.000 -0.046 0.000 0.917 224 Q CA 0.438 56.246 55.803 0.009 0.000 0.939 224 Q CB 0.515 29.257 28.738 0.007 0.000 1.063 224 Q HN 0.409 nan 8.270 nan 0.000 0.516 225 H N -0.652 118.404 119.070 -0.023 0.000 2.674 225 H HA 0.059 4.615 4.556 -0.001 0.000 0.274 225 H C -0.576 174.762 175.328 0.017 0.000 1.121 225 H CA -0.187 55.864 56.048 0.006 0.000 1.132 225 H CB 0.726 30.511 29.762 0.038 0.000 1.606 225 H HN 0.166 nan 8.280 nan 0.000 0.558 226 D N 1.185 121.634 120.400 0.082 0.000 2.803 226 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 226 D C 0.656 176.986 176.300 0.050 0.000 1.182 226 D CA 0.681 54.712 54.000 0.052 0.000 0.726 226 D CB -0.795 40.040 40.800 0.059 0.000 0.987 226 D HN 0.568 nan 8.370 nan 0.000 0.412 227 A N 0.953 123.721 122.820 -0.086 0.000 2.312 227 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 227 A C 1.731 178.915 177.584 -0.667 0.000 1.256 227 A CA 0.690 52.454 52.037 -0.454 0.000 0.966 227 A CB -0.002 18.827 19.000 -0.285 0.000 1.053 227 A HN 0.335 nan 8.150 nan 0.000 0.510 228 M N 1.651 121.073 119.600 -0.297 0.000 2.213 228 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 228 M C 1.874 178.071 176.300 -0.172 0.000 1.062 228 M CA 2.107 57.278 55.300 -0.215 0.000 1.105 228 M CB -0.563 31.971 32.600 -0.109 0.000 1.385 228 M HN 0.470 nan 8.290 nan 0.000 0.417 229 K N -0.439 119.888 120.400 -0.122 0.000 2.152 229 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 229 K C 0.833 177.511 176.600 0.130 0.000 1.048 229 K CA 1.929 58.230 56.287 0.025 0.000 0.933 229 K CB -0.983 31.576 32.500 0.098 0.000 0.721 229 K HN 0.641 nan 8.250 nan 0.000 0.447 230 Y N -0.249 120.131 120.300 0.133 0.000 2.681 230 Y HA 0.528 5.078 4.550 -0.001 0.000 0.267 230 Y C -0.600 175.406 175.900 0.177 0.000 1.166 230 Y CA -1.155 57.080 58.100 0.224 0.000 1.209 230 Y CB 0.329 38.887 38.460 0.164 0.000 1.161 230 Y HN -0.145 nan 8.280 nan 0.000 0.534 231 S N 1.341 117.021 115.700 -0.033 0.000 2.548 231 S HA 0.710 5.179 4.470 -0.000 0.000 0.286 231 S C -0.849 173.744 174.600 -0.010 0.000 1.098 231 S CA -0.684 57.496 58.200 -0.032 0.000 0.930 231 S CB 1.804 64.904 63.200 -0.167 0.000 1.070 231 S HN 0.284 nan 8.310 nan 0.000 0.480 232 I N 2.547 123.119 120.570 0.003 0.000 2.418 232 I HA 0.470 4.639 4.170 -0.000 0.000 0.287 232 I C -1.045 175.087 176.117 0.025 0.000 1.008 232 I CA -0.497 60.808 61.300 0.008 0.000 1.104 232 I CB 1.410 39.418 38.000 0.013 0.000 1.264 232 I HN 0.449 nan 8.210 nan 0.000 0.438 233 I N 6.904 127.492 120.570 0.030 0.000 2.359 233 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 233 I C -0.533 175.624 176.117 0.066 0.000 1.018 233 I CA -0.715 60.628 61.300 0.072 0.000 1.173 233 I CB 1.613 39.640 38.000 0.046 0.000 1.326 233 I HN 0.218 nan 8.210 nan 0.000 0.462 234 V N 6.166 126.122 119.914 0.070 0.000 2.318 234 V HA 0.575 4.694 4.120 -0.000 0.000 0.271 234 V C 0.406 176.542 176.094 0.071 0.000 1.030 234 V CA -0.410 61.922 62.300 0.054 0.000 0.844 234 V CB 1.138 32.982 31.823 0.035 0.000 1.015 234 V HN 0.783 nan 8.190 nan 0.000 0.460 235 A N 4.339 127.205 122.820 0.076 0.000 2.304 235 A HA 0.850 5.170 4.320 -0.000 0.000 0.314 235 A C 0.178 177.808 177.584 0.076 0.000 1.187 235 A CA -0.374 51.715 52.037 0.087 0.000 0.810 235 A CB 1.289 20.349 19.000 0.099 0.000 1.183 235 A HN 1.166 nan 8.150 nan 0.000 0.487 236 A N 3.281 126.149 122.820 0.079 0.000 2.801 236 A HA 0.579 4.898 4.320 -0.000 0.000 0.344 236 A C 0.691 178.323 177.584 0.081 0.000 1.322 236 A CA 0.044 52.132 52.037 0.085 0.000 0.913 236 A CB -0.807 18.252 19.000 0.099 0.000 1.140 236 A HN 1.284 nan 8.150 nan 0.000 0.487 237 T N -1.205 113.393 114.554 0.073 0.000 2.855 237 T HA 0.378 4.728 4.350 -0.000 0.000 0.314 237 T C 1.522 176.260 174.700 0.063 0.000 1.077 237 T CA 0.052 62.192 62.100 0.067 0.000 1.095 237 T CB 0.999 69.902 68.868 0.058 0.000 0.987 237 T HN 1.036 nan 8.240 nan 0.000 0.546 238 A N 1.184 124.039 122.820 0.058 0.000 1.986 238 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 238 A C 2.673 180.283 177.584 0.045 0.000 1.171 238 A CA 2.165 54.233 52.037 0.052 0.000 0.640 238 A CB -1.412 17.616 19.000 0.046 0.000 0.811 238 A HN 0.930 nan 8.150 nan 0.000 0.451 239 S N -0.404 115.321 115.700 0.042 0.000 2.382 239 S HA -0.096 4.373 4.470 -0.000 0.000 0.228 239 S C 0.856 175.479 174.600 0.038 0.000 1.027 239 S CA 0.687 58.908 58.200 0.035 0.000 0.991 239 S CB -0.361 62.859 63.200 0.032 0.000 0.823 239 S HN 0.706 nan 8.310 nan 0.000 0.469 240 E N 1.095 121.325 120.200 0.050 0.000 2.408 240 E HA 0.407 4.756 4.350 -0.000 0.000 0.259 240 E C 0.264 176.898 176.600 0.057 0.000 1.110 240 E CA -0.141 56.295 56.400 0.060 0.000 0.929 240 E CB 0.459 30.206 29.700 0.078 0.000 0.971 240 E HN 0.468 nan 8.360 nan 0.000 0.438 241 A N 1.463 124.318 122.820 0.058 0.000 2.492 241 A HA 0.189 4.508 4.320 -0.000 0.000 0.236 241 A C 1.291 178.894 177.584 0.031 0.000 1.078 241 A CA 0.605 52.657 52.037 0.026 0.000 0.773 241 A CB 0.159 19.162 19.000 0.004 0.000 1.023 241 A HN 0.788 nan 8.150 nan 0.000 0.504 242 A N 1.867 124.686 122.820 -0.002 0.000 1.883 242 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 242 A C -0.136 177.480 177.584 0.053 0.000 1.186 242 A CA 2.126 54.174 52.037 0.019 0.000 0.624 242 A CB -1.780 17.207 19.000 -0.021 0.000 0.822 242 A HN 0.635 nan 8.150 nan 0.000 0.444 243 P HA -0.119 nan 4.420 nan 0.000 0.218 243 P C 1.396 178.810 177.300 0.190 0.000 1.148 243 P CA 0.801 63.901 63.100 -0.000 0.000 0.822 243 P CB -0.145 31.287 31.700 -0.448 0.000 0.784 244 L N -0.883 120.448 121.223 0.180 0.000 2.141 244 L HA -0.185 4.154 4.340 -0.000 0.000 0.209 244 L C 2.413 179.399 176.870 0.194 0.000 1.094 244 L CA 1.478 56.469 54.840 0.252 0.000 0.763 244 L CB -0.781 41.411 42.059 0.222 0.000 0.908 244 L HN 0.054 nan 8.230 nan 0.000 0.437 245 Q N -1.563 118.342 119.800 0.175 0.000 2.311 245 Q HA -0.186 4.154 4.340 -0.000 0.000 0.203 245 Q C 1.879 178.005 176.000 0.210 0.000 0.954 245 Q CA 0.957 56.858 55.803 0.164 0.000 0.885 245 Q CB -0.086 28.738 28.738 0.144 0.000 0.963 245 Q HN 0.484 nan 8.270 nan 0.000 0.471 246 Y N 1.135 121.505 120.300 0.117 0.000 2.184 246 Y HA -0.137 4.413 4.550 -0.001 0.000 0.290 246 Y C 1.566 177.562 175.900 0.161 0.000 1.129 246 Y CA 1.120 59.294 58.100 0.124 0.000 1.144 246 Y CB -0.050 38.471 38.460 0.102 0.000 0.995 246 Y HN -0.027 nan 8.280 nan 0.000 0.513 247 L N 0.480 121.667 121.223 -0.060 0.000 2.341 247 L HA 0.097 4.436 4.340 -0.000 0.000 0.214 247 L C 2.678 179.602 176.870 0.091 0.000 1.115 247 L CA 1.151 55.929 54.840 -0.104 0.000 0.820 247 L CB -1.292 40.781 42.059 0.022 0.000 0.944 247 L HN 0.308 nan 8.230 nan 0.000 0.452 248 A N 0.919 123.804 122.820 0.108 0.000 1.894 248 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 248 A C 0.028 177.673 177.584 0.102 0.000 1.237 248 A CA 2.492 54.591 52.037 0.103 0.000 0.660 248 A CB -2.023 17.037 19.000 0.100 0.000 0.835 248 A HN 0.314 nan 8.150 nan 0.000 0.461 249 P HA -0.056 nan 4.420 nan 0.000 0.216 249 P C 1.124 178.436 177.300 0.020 0.000 1.153 249 P CA 0.955 64.112 63.100 0.095 0.000 0.844 249 P CB -0.191 31.415 31.700 -0.157 0.000 0.787 250 F N 0.436 120.326 119.950 -0.100 0.000 2.051 250 F HA -0.207 4.320 4.527 -0.000 0.000 0.296 250 F C 2.577 178.356 175.800 -0.035 0.000 1.122 250 F CA 2.209 60.142 58.000 -0.112 0.000 1.201 250 F CB -2.042 36.825 39.000 -0.222 0.000 0.978 250 F HN -0.032 nan 8.300 nan 0.000 0.472 251 T N -1.649 113.007 114.554 0.171 0.000 2.803 251 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 251 T C 2.028 176.777 174.700 0.082 0.000 1.052 251 T CA 1.102 63.263 62.100 0.101 0.000 1.136 251 T CB -0.836 68.076 68.868 0.074 0.000 0.864 251 T HN 0.227 nan 8.240 nan 0.000 0.467 252 A N 1.642 124.509 122.820 0.078 0.000 1.929 252 A HA 0.468 4.788 4.320 -0.000 0.000 0.216 252 A C 2.836 180.446 177.584 0.044 0.000 1.176 252 A CA 1.540 53.603 52.037 0.043 0.000 0.628 252 A CB -1.311 17.693 19.000 0.007 0.000 0.816 252 A HN 0.757 nan 8.150 nan 0.000 0.444 253 A N -0.222 122.647 122.820 0.082 0.000 1.902 253 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 253 A C 2.409 180.049 177.584 0.093 0.000 1.181 253 A CA 2.056 54.145 52.037 0.085 0.000 0.623 253 A CB -0.847 18.192 19.000 0.065 0.000 0.818 253 A HN 0.455 nan 8.150 nan 0.000 0.443 254 S N 0.134 115.893 115.700 0.099 0.000 2.382 254 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 254 S C 1.757 176.447 174.600 0.150 0.000 1.027 254 S CA 1.385 59.654 58.200 0.114 0.000 0.991 254 S CB -0.370 62.888 63.200 0.097 0.000 0.823 254 S HN 0.491 nan 8.310 nan 0.000 0.469 255 I N 1.682 122.330 120.570 0.131 0.000 2.226 255 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 255 I C 2.547 178.847 176.117 0.304 0.000 1.100 255 I CA 1.479 62.878 61.300 0.166 0.000 1.374 255 I CB -1.946 36.113 38.000 0.098 0.000 1.057 255 I HN 0.374 nan 8.210 nan 0.000 0.413 256 G N -0.161 108.765 108.800 0.210 0.000 2.623 256 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.214 256 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.214 256 G C 1.531 176.625 174.900 0.323 0.000 1.138 256 G CA -0.057 45.175 45.100 0.221 0.000 0.794 256 G HN 0.397 nan 8.290 nan 0.000 0.535 257 E N -0.544 119.812 120.200 0.261 0.000 2.152 257 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 257 E C 1.880 178.614 176.600 0.224 0.000 0.983 257 E CA 0.331 56.850 56.400 0.198 0.000 0.818 257 E CB -0.160 29.621 29.700 0.134 0.000 0.758 257 E HN 0.631 nan 8.360 nan 0.000 0.467 258 W N 0.606 121.965 121.300 0.098 0.000 2.342 258 W HA -0.240 4.420 4.660 -0.001 0.000 0.297 258 W C 1.378 177.830 176.519 -0.112 0.000 1.213 258 W CA 1.494 58.811 57.345 -0.047 0.000 1.251 258 W CB -0.202 29.165 29.460 -0.155 0.000 1.136 258 W HN -0.011 nan 8.180 nan 0.000 0.526 259 F N 0.040 120.108 119.950 0.197 0.000 2.206 259 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 259 F C 2.709 178.428 175.800 -0.134 0.000 1.090 259 F CA 1.880 59.894 58.000 0.022 0.000 1.323 259 F CB -1.188 37.925 39.000 0.188 0.000 1.028 259 F HN -0.199 nan 8.300 nan 0.000 0.492 260 R N 0.620 121.195 120.500 0.125 0.000 2.092 260 R HA -0.141 4.198 4.340 -0.000 0.000 0.231 260 R C 1.224 177.468 176.300 -0.093 0.000 1.119 260 R CA 1.823 57.931 56.100 0.013 0.000 0.970 260 R CB -0.358 29.973 30.300 0.053 0.000 0.864 260 R HN 0.148 nan 8.270 nan 0.000 0.440 261 D N 0.195 120.507 120.400 -0.146 0.000 2.348 261 D HA -0.051 4.588 4.640 -0.000 0.000 0.216 261 D C -0.032 176.075 176.300 -0.320 0.000 0.970 261 D CA 0.777 54.655 54.000 -0.203 0.000 0.889 261 D CB 0.048 40.732 40.800 -0.193 0.000 0.912 261 D HN 0.157 nan 8.370 nan 0.000 0.524 262 N N -0.380 118.047 118.700 -0.455 0.000 2.599 262 N HA 0.251 4.991 4.740 -0.000 0.000 0.309 262 N C 0.647 175.942 175.510 -0.359 0.000 1.743 262 N CA -0.025 52.711 53.050 -0.523 0.000 0.918 262 N CB 0.963 38.848 38.487 -1.002 0.000 1.339 262 N HN 0.013 nan 8.380 nan 0.000 0.493 263 G N 0.722 109.371 108.800 -0.252 0.000 2.269 263 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.277 263 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.277 263 G C 0.144 174.894 174.900 -0.251 0.000 1.008 263 G CA 0.808 45.778 45.100 -0.215 0.000 0.774 263 G HN 0.367 nan 8.290 nan 0.000 0.511 264 K N -0.696 119.569 120.400 -0.225 0.000 2.258 264 K HA 0.600 4.920 4.320 -0.000 0.000 0.236 264 K C -0.567 175.932 176.600 -0.168 0.000 1.008 264 K CA -1.020 55.218 56.287 -0.081 0.000 0.869 264 K CB 1.206 33.869 32.500 0.272 0.000 1.171 264 K HN 0.254 nan 8.250 nan 0.000 0.447 265 H N 0.074 119.296 119.070 0.253 0.000 2.587 265 H HA 0.428 4.984 4.556 -0.000 0.000 0.325 265 H C -0.947 174.463 175.328 0.136 0.000 1.012 265 H CA -0.584 55.541 56.048 0.127 0.000 1.213 265 H CB 1.711 31.471 29.762 -0.003 0.000 1.431 265 H HN 0.669 nan 8.280 nan 0.000 0.492 266 A N 3.856 126.779 122.820 0.173 0.000 2.350 266 A HA 0.579 4.899 4.320 -0.000 0.000 0.324 266 A C -0.804 176.779 177.584 -0.002 0.000 1.118 266 A CA -0.795 51.243 52.037 0.002 0.000 0.783 266 A CB 1.328 20.246 19.000 -0.137 0.000 1.236 266 A HN 0.642 nan 8.150 nan 0.000 0.457 267 L N 3.343 124.544 121.223 -0.036 0.000 2.342 267 L HA 0.729 5.068 4.340 -0.000 0.000 0.276 267 L C -1.212 175.608 176.870 -0.083 0.000 0.997 267 L CA -0.556 54.259 54.840 -0.042 0.000 0.838 267 L CB 0.824 42.869 42.059 -0.023 0.000 1.224 267 L HN 0.748 nan 8.230 nan 0.000 0.416 268 I N 5.411 125.898 120.570 -0.140 0.000 2.377 268 I HA 0.497 4.666 4.170 -0.000 0.000 0.293 268 I C -1.134 174.746 176.117 -0.396 0.000 0.987 268 I CA -0.691 60.435 61.300 -0.290 0.000 1.185 268 I CB 1.735 39.496 38.000 -0.399 0.000 1.341 268 I HN 0.409 nan 8.210 nan 0.000 0.455 269 V N 8.175 127.836 119.914 -0.421 0.000 2.357 269 V HA 0.289 4.409 4.120 -0.000 0.000 0.284 269 V C -1.036 174.724 176.094 -0.557 0.000 1.018 269 V CA -0.436 61.639 62.300 -0.375 0.000 0.841 269 V CB 1.113 32.824 31.823 -0.188 0.000 0.991 269 V HN 0.488 nan 8.190 nan 0.000 0.437 270 Y N 3.127 123.309 120.300 -0.197 0.000 2.477 270 Y HA 0.576 5.126 4.550 -0.001 0.000 0.349 270 Y C 0.228 176.006 175.900 -0.203 0.000 0.977 270 Y CA -0.581 57.398 58.100 -0.203 0.000 1.214 270 Y CB 0.807 39.183 38.460 -0.139 0.000 1.124 270 Y HN 0.608 nan 8.280 nan 0.000 0.521 271 D N 2.536 122.833 120.400 -0.171 0.000 2.616 271 D HA 0.125 4.765 4.640 -0.000 0.000 0.238 271 D C -1.814 174.435 176.300 -0.085 0.000 1.354 271 D CA -0.521 53.397 54.000 -0.137 0.000 0.970 271 D CB 1.208 41.880 40.800 -0.214 0.000 1.369 271 D HN 0.449 nan 8.370 nan 0.000 0.585 272 D N 3.691 124.092 120.400 0.002 0.000 2.192 272 D HA 0.241 4.881 4.640 -0.000 0.000 0.246 272 D C 1.169 177.503 176.300 0.057 0.000 1.042 272 D CA -0.513 53.501 54.000 0.024 0.000 0.847 272 D CB 2.068 42.890 40.800 0.035 0.000 1.186 272 D HN 0.384 nan 8.370 nan 0.000 0.461 273 L N 1.849 123.110 121.223 0.063 0.000 2.109 273 L HA -0.112 4.227 4.340 -0.000 0.000 0.207 273 L C 2.282 179.232 176.870 0.134 0.000 1.086 273 L CA 0.509 55.415 54.840 0.110 0.000 0.760 273 L CB -0.124 41.985 42.059 0.084 0.000 0.910 273 L HN 0.350 nan 8.230 nan 0.000 0.437 274 S N 0.028 115.771 115.700 0.072 0.000 2.402 274 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 274 S C 1.813 176.504 174.600 0.151 0.000 1.030 274 S CA 1.373 59.626 58.200 0.087 0.000 1.003 274 S CB -0.117 63.121 63.200 0.064 0.000 0.813 274 S HN 0.401 nan 8.310 nan 0.000 0.477 275 K N 0.821 121.298 120.400 0.130 0.000 2.305 275 K HA 0.030 4.350 4.320 -0.000 0.000 0.199 275 K C 2.326 179.024 176.600 0.163 0.000 1.047 275 K CA 0.411 56.778 56.287 0.134 0.000 0.976 275 K CB -0.047 32.512 32.500 0.099 0.000 0.765 275 K HN 0.364 nan 8.250 nan 0.000 0.474 276 Q N 1.044 120.949 119.800 0.176 0.000 2.046 276 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 276 Q C 2.080 178.245 176.000 0.276 0.000 0.975 276 Q CA 1.532 57.452 55.803 0.195 0.000 0.836 276 Q CB -0.090 28.725 28.738 0.128 0.000 0.896 276 Q HN 0.305 nan 8.270 nan 0.000 0.428 277 A N 0.261 123.280 122.820 0.331 0.000 1.933 277 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 277 A C 2.252 180.115 177.584 0.464 0.000 1.175 277 A CA 1.515 53.824 52.037 0.453 0.000 0.628 277 A CB -0.812 18.454 19.000 0.443 0.000 0.814 277 A HN 0.309 nan 8.150 nan 0.000 0.444 278 V N -0.098 120.026 119.914 0.350 0.000 2.282 278 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 278 V C 3.073 179.249 176.094 0.138 0.000 1.057 278 V CA 2.175 64.597 62.300 0.204 0.000 1.032 278 V CB -1.292 30.618 31.823 0.146 0.000 0.645 278 V HN 0.644 nan 8.190 nan 0.000 0.447 279 A N -0.983 121.938 122.820 0.169 0.000 1.877 279 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 279 A C 2.182 179.845 177.584 0.131 0.000 1.186 279 A CA 2.176 54.294 52.037 0.136 0.000 0.620 279 A CB -0.874 18.228 19.000 0.170 0.000 0.822 279 A HN 0.646 nan 8.150 nan 0.000 0.443 280 Y N 0.452 120.806 120.300 0.089 0.000 2.333 280 Y HA -0.172 4.378 4.550 -0.001 0.000 0.290 280 Y C 2.414 178.315 175.900 0.001 0.000 1.144 280 Y CA 1.847 59.952 58.100 0.007 0.000 1.228 280 Y CB -0.326 38.197 38.460 0.104 0.000 0.985 280 Y HN 0.343 nan 8.280 nan 0.000 0.542 281 R N 0.107 120.597 120.500 -0.015 0.000 2.115 281 R HA -0.195 4.145 4.340 -0.000 0.000 0.230 281 R C 2.403 178.590 176.300 -0.187 0.000 1.111 281 R CA 1.599 57.616 56.100 -0.139 0.000 0.976 281 R CB -0.270 29.942 30.300 -0.146 0.000 0.870 281 R HN 0.543 nan 8.270 nan 0.000 0.445 282 Q N 0.319 120.041 119.800 -0.129 0.000 2.050 282 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 282 Q C 1.970 177.873 176.000 -0.161 0.000 0.980 282 Q CA 1.493 57.225 55.803 -0.119 0.000 0.840 282 Q CB -0.030 28.666 28.738 -0.070 0.000 0.898 282 Q HN 0.280 nan 8.270 nan 0.000 0.424 283 L N 0.385 121.484 121.223 -0.207 0.000 1.971 283 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 283 L C 2.583 179.292 176.870 -0.270 0.000 1.072 283 L CA 2.101 56.792 54.840 -0.248 0.000 0.758 283 L CB -0.843 41.023 42.059 -0.320 0.000 0.889 283 L HN 0.143 nan 8.230 nan 0.000 0.433 284 S N -0.682 114.781 115.700 -0.394 0.000 2.368 284 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 284 S C 1.983 176.467 174.600 -0.194 0.000 1.030 284 S CA 1.233 59.235 58.200 -0.329 0.000 0.999 284 S CB -0.450 62.484 63.200 -0.444 0.000 0.844 284 S HN 0.303 nan 8.310 nan 0.000 0.459 285 L N 0.734 121.851 121.223 -0.176 0.000 2.201 285 L HA -0.008 4.331 4.340 -0.000 0.000 0.212 285 L C 1.978 178.790 176.870 -0.097 0.000 1.105 285 L CA 0.868 55.636 54.840 -0.120 0.000 0.775 285 L CB -0.412 41.578 42.059 -0.114 0.000 0.913 285 L HN 0.299 nan 8.230 nan 0.000 0.440 286 L N -1.091 120.068 121.223 -0.106 0.000 2.307 286 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 286 L C 2.136 178.962 176.870 -0.074 0.000 1.099 286 L CA 0.405 55.196 54.840 -0.082 0.000 0.816 286 L CB -0.095 41.914 42.059 -0.084 0.000 0.952 286 L HN 0.230 nan 8.230 nan 0.000 0.455 287 L N -0.283 120.886 121.223 -0.090 0.000 2.552 287 L HA 0.035 4.374 4.340 -0.000 0.000 0.227 287 L C 0.546 177.382 176.870 -0.056 0.000 1.146 287 L CA 0.260 55.057 54.840 -0.071 0.000 0.858 287 L CB -0.094 41.913 42.059 -0.087 0.000 0.969 287 L HN 0.295 nan 8.230 nan 0.000 0.451 288 R N 0.305 120.768 120.500 -0.062 0.000 3.407 288 R HA -0.124 4.215 4.340 -0.000 0.000 0.277 288 R C -0.296 175.979 176.300 -0.042 0.000 1.119 288 R CA 0.277 56.349 56.100 -0.047 0.000 0.750 288 R CB -1.844 28.437 30.300 -0.032 0.000 1.258 288 R HN 0.369 nan 8.270 nan 0.000 0.432 289 R N 1.104 121.571 120.500 -0.056 0.000 2.297 289 R HA 0.275 4.615 4.340 -0.000 0.000 0.308 289 R C -2.105 174.174 176.300 -0.035 0.000 1.029 289 R CA -1.888 54.187 56.100 -0.042 0.000 0.929 289 R CB 0.649 30.918 30.300 -0.052 0.000 1.046 289 R HN -0.125 nan 8.270 nan 0.000 0.461 290 P HA -0.005 nan 4.420 nan 0.000 0.263 290 P C -2.343 174.953 177.300 -0.006 0.000 1.175 290 P CA -0.590 62.503 63.100 -0.011 0.000 0.761 290 P CB 0.032 31.732 31.700 -0.001 0.000 0.794 291 P HA 0.280 nan 4.420 nan 0.000 0.277 291 P C 0.434 177.741 177.300 0.011 0.000 1.240 291 P CA -0.192 62.905 63.100 -0.004 0.000 0.798 291 P CB 1.046 32.732 31.700 -0.025 0.000 0.979 292 G N 1.006 109.826 108.800 0.033 0.000 3.271 292 G HA2 0.267 4.227 3.960 -0.000 0.000 0.174 292 G HA3 0.267 4.227 3.960 -0.000 0.000 0.174 292 G C -0.519 174.353 174.900 -0.046 0.000 1.385 292 G CA -0.468 44.639 45.100 0.012 0.000 0.979 292 G HN 0.486 nan 8.290 nan 0.000 0.610 293 R N 0.617 121.021 120.500 -0.161 0.000 2.490 293 R HA 0.224 4.564 4.340 -0.000 0.000 0.280 293 R C -0.097 176.139 176.300 -0.108 0.000 1.077 293 R CA 0.319 56.252 56.100 -0.278 0.000 1.065 293 R CB 0.030 29.910 30.300 -0.699 0.000 1.003 293 R HN 0.665 nan 8.270 nan 0.000 0.470 294 E N 2.501 122.684 120.200 -0.028 0.000 2.440 294 E HA -0.353 3.997 4.350 -0.000 0.000 0.246 294 E C 0.419 177.030 176.600 0.018 0.000 1.165 294 E CA 0.463 56.914 56.400 0.085 0.000 0.726 294 E CB -1.139 28.741 29.700 0.300 0.000 1.271 294 E HN 0.883 nan 8.360 nan 0.000 0.397 295 A N -2.231 120.576 122.820 -0.021 0.000 4.287 295 A HA -0.345 3.975 4.320 -0.000 0.000 0.258 295 A C 0.395 177.948 177.584 -0.051 0.000 0.811 295 A CA 1.798 53.791 52.037 -0.073 0.000 1.245 295 A CB -1.840 17.075 19.000 -0.141 0.000 1.055 295 A HN 0.447 nan 8.150 nan 0.000 0.763 296 Y N 0.818 121.146 120.300 0.047 0.000 2.788 296 Y HA 0.292 4.842 4.550 -0.001 0.000 0.341 296 Y C -1.339 174.623 175.900 0.104 0.000 1.258 296 Y CA -0.239 57.935 58.100 0.123 0.000 1.503 296 Y CB -0.161 38.466 38.460 0.279 0.000 1.325 296 Y HN 0.256 nan 8.280 nan 0.000 0.614 297 P HA -0.033 nan 4.420 nan 0.000 0.270 297 P C 0.706 178.169 177.300 0.272 0.000 1.227 297 P CA 0.564 63.775 63.100 0.185 0.000 0.788 297 P CB 0.630 32.411 31.700 0.136 0.000 0.926 298 G N 1.014 109.936 108.800 0.204 0.000 2.408 298 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 298 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 298 G C 0.434 175.494 174.900 0.266 0.000 1.150 298 G CA 0.483 45.702 45.100 0.199 0.000 0.776 298 G HN 0.654 nan 8.290 nan 0.000 0.542 299 D N 0.721 121.311 120.400 0.316 0.000 3.071 299 D HA 0.115 4.755 4.640 -0.000 0.000 0.259 299 D C 1.316 177.861 176.300 0.408 0.000 1.331 299 D CA -0.468 53.747 54.000 0.358 0.000 0.861 299 D CB 0.725 41.734 40.800 0.348 0.000 1.059 299 D HN 0.104 nan 8.370 nan 0.000 0.486 300 V N -0.146 120.017 119.914 0.415 0.000 2.951 300 V HA -0.058 4.062 4.120 -0.000 0.000 0.255 300 V C 1.493 177.743 176.094 0.260 0.000 1.088 300 V CA 0.681 63.200 62.300 0.364 0.000 1.109 300 V CB -0.715 31.344 31.823 0.394 0.000 0.724 300 V HN 0.273 nan 8.190 nan 0.000 0.471 301 F N -0.094 119.939 119.950 0.139 0.000 2.206 301 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 301 F C 2.059 177.944 175.800 0.142 0.000 1.090 301 F CA 1.942 59.988 58.000 0.076 0.000 1.323 301 F CB -0.389 38.647 39.000 0.060 0.000 1.028 301 F HN 0.348 nan 8.300 nan 0.000 0.492 302 Y N 0.492 120.890 120.300 0.163 0.000 2.352 302 Y HA -0.143 4.406 4.550 -0.000 0.000 0.292 302 Y C 1.994 177.869 175.900 -0.042 0.000 1.136 302 Y CA 1.245 59.379 58.100 0.058 0.000 1.227 302 Y CB -0.676 37.863 38.460 0.130 0.000 0.991 302 Y HN 0.206 nan 8.280 nan 0.000 0.545 303 L N -0.260 120.895 121.223 -0.112 0.000 2.079 303 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 303 L C 1.638 178.246 176.870 -0.437 0.000 1.081 303 L CA 2.255 56.928 54.840 -0.278 0.000 0.752 303 L CB -0.671 41.242 42.059 -0.243 0.000 0.896 303 L HN 0.263 nan 8.230 nan 0.000 0.433 304 H N -2.501 116.357 119.070 -0.352 0.000 2.648 304 H HA 0.233 4.789 4.556 -0.000 0.000 0.265 304 H C 2.166 177.212 175.328 -0.469 0.000 0.961 304 H CA 0.688 56.477 56.048 -0.432 0.000 1.185 304 H CB 0.346 29.871 29.762 -0.395 0.000 1.449 304 H HN 0.241 nan 8.280 nan 0.000 0.523 305 S N 0.619 116.082 115.700 -0.395 0.000 2.345 305 S HA -0.126 4.344 4.470 -0.000 0.000 0.219 305 S C 2.054 176.510 174.600 -0.240 0.000 1.031 305 S CA 1.217 59.211 58.200 -0.344 0.000 0.984 305 S CB -0.002 63.021 63.200 -0.294 0.000 0.874 305 S HN 0.569 nan 8.310 nan 0.000 0.451 306 R N 0.972 121.296 120.500 -0.293 0.000 2.189 306 R HA 0.104 4.444 4.340 -0.000 0.000 0.223 306 R C 2.087 178.226 176.300 -0.269 0.000 1.092 306 R CA 0.755 56.716 56.100 -0.231 0.000 0.989 306 R CB -0.468 29.626 30.300 -0.343 0.000 0.876 306 R HN 0.320 nan 8.270 nan 0.000 0.457 307 L N 0.887 121.840 121.223 -0.450 0.000 2.068 307 L HA 0.074 4.414 4.340 -0.000 0.000 0.204 307 L C 2.016 178.618 176.870 -0.445 0.000 1.076 307 L CA 1.408 55.846 54.840 -0.669 0.000 0.753 307 L CB -0.140 41.302 42.059 -1.029 0.000 0.910 307 L HN 0.167 nan 8.230 nan 0.000 0.439 308 L N -0.820 120.187 121.223 -0.360 0.000 2.179 308 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 308 L C 2.505 179.300 176.870 -0.125 0.000 1.096 308 L CA 0.487 55.189 54.840 -0.229 0.000 0.779 308 L CB -0.652 41.285 42.059 -0.202 0.000 0.922 308 L HN 0.269 nan 8.230 nan 0.000 0.443 309 E N 0.761 120.888 120.200 -0.121 0.000 2.209 309 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 309 E C 2.193 178.769 176.600 -0.039 0.000 0.993 309 E CA 0.972 57.336 56.400 -0.061 0.000 0.819 309 E CB -0.109 29.565 29.700 -0.043 0.000 0.745 309 E HN 0.464 nan 8.360 nan 0.000 0.477 310 R N 0.477 120.944 120.500 -0.055 0.000 2.193 310 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 310 R C 0.953 177.255 176.300 0.003 0.000 1.110 310 R CA 0.760 56.846 56.100 -0.022 0.000 0.988 310 R CB -0.123 30.157 30.300 -0.033 0.000 0.871 310 R HN -0.061 nan 8.270 nan 0.000 0.458 311 A N 1.150 123.971 122.820 0.002 0.000 2.350 311 A HA 0.615 4.935 4.320 -0.000 0.000 0.293 311 A C -0.277 177.315 177.584 0.014 0.000 1.231 311 A CA -0.025 52.026 52.037 0.023 0.000 0.883 311 A CB 0.361 19.386 19.000 0.042 0.000 1.133 311 A HN 0.302 nan 8.150 nan 0.000 0.533 312 A N 2.526 125.358 122.820 0.020 0.000 2.564 312 A HA 0.724 5.044 4.320 -0.000 0.000 0.291 312 A C -0.801 176.797 177.584 0.024 0.000 1.102 312 A CA -0.779 51.268 52.037 0.017 0.000 0.660 312 A CB 0.829 19.838 19.000 0.014 0.000 1.283 312 A HN 0.857 nan 8.150 nan 0.000 0.430 313 K N 1.323 121.736 120.400 0.022 0.000 2.264 313 K HA 0.632 4.952 4.320 -0.000 0.000 0.277 313 K C -0.753 175.868 176.600 0.034 0.000 1.067 313 K CA -0.211 56.095 56.287 0.031 0.000 0.900 313 K CB -0.013 32.497 32.500 0.016 0.000 1.124 313 K HN 0.580 nan 8.250 nan 0.000 0.469 314 L N 2.701 123.942 121.223 0.031 0.000 2.474 314 L HA 0.143 4.482 4.340 -0.000 0.000 0.259 314 L C 0.762 177.651 176.870 0.030 0.000 1.232 314 L CA -0.239 54.612 54.840 0.020 0.000 0.821 314 L CB 0.663 42.722 42.059 -0.001 0.000 1.108 314 L HN 0.899 nan 8.230 nan 0.000 0.495 315 S N -0.500 115.212 115.700 0.020 0.000 2.655 315 S HA 0.130 4.600 4.470 -0.000 0.000 0.265 315 S C 0.651 175.263 174.600 0.020 0.000 1.240 315 S CA -0.729 57.485 58.200 0.024 0.000 0.986 315 S CB 0.908 64.116 63.200 0.015 0.000 0.985 315 S HN 0.615 nan 8.310 nan 0.000 0.562 316 E N 0.192 120.404 120.200 0.020 0.000 2.208 316 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 316 E C 1.784 178.384 176.600 0.000 0.000 0.988 316 E CA 0.615 57.023 56.400 0.014 0.000 0.828 316 E CB -0.121 29.587 29.700 0.013 0.000 0.763 316 E HN 0.713 nan 8.360 nan 0.000 0.478 317 K N 1.047 121.446 120.400 -0.002 0.000 2.288 317 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 317 K C 1.515 178.105 176.600 -0.016 0.000 1.048 317 K CA 0.909 57.191 56.287 -0.008 0.000 0.956 317 K CB 0.345 32.842 32.500 -0.006 0.000 0.746 317 K HN -0.062 nan 8.250 nan 0.000 0.461 318 E N -0.919 119.271 120.200 -0.017 0.000 2.415 318 E HA 0.063 4.413 4.350 -0.000 0.000 0.197 318 E C 0.884 177.456 176.600 -0.046 0.000 1.007 318 E CA 0.845 57.227 56.400 -0.029 0.000 0.890 318 E CB 1.249 30.935 29.700 -0.024 0.000 0.891 318 E HN 0.532 nan 8.360 nan 0.000 0.496 319 G N 0.766 109.543 108.800 -0.037 0.000 2.198 319 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.156 319 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.156 319 G C 0.394 175.267 174.900 -0.046 0.000 1.012 319 G CA 0.022 45.090 45.100 -0.053 0.000 0.692 319 G HN 0.030 nan 8.290 nan 0.000 0.492 320 S N -0.914 114.780 115.700 -0.011 0.000 3.477 320 S HA -0.147 4.323 4.470 -0.000 0.000 0.357 320 S C 1.334 175.934 174.600 -0.000 0.000 1.083 320 S CA 1.483 59.700 58.200 0.030 0.000 1.042 320 S CB -1.292 61.951 63.200 0.072 0.000 0.911 320 S HN 2.069 nan 8.310 nan 0.000 0.490 321 G N 1.166 109.924 108.800 -0.071 0.000 2.390 321 G HA2 0.538 4.497 3.960 -0.000 0.000 0.270 321 G HA3 0.538 4.497 3.960 -0.000 0.000 0.270 321 G C -0.031 174.860 174.900 -0.015 0.000 1.211 321 G CA 0.268 45.279 45.100 -0.148 0.000 0.842 321 G HN 0.754 nan 8.290 nan 0.000 0.519 322 S N 0.436 116.179 115.700 0.071 0.000 2.638 322 S HA 0.763 5.233 4.470 -0.000 0.000 0.302 322 S C -1.151 173.524 174.600 0.124 0.000 1.096 322 S CA -0.901 57.385 58.200 0.143 0.000 0.953 322 S CB 2.106 65.427 63.200 0.202 0.000 1.107 322 S HN 0.868 nan 8.310 nan 0.000 0.503 323 L N 1.624 122.893 121.223 0.077 0.000 2.446 323 L HA 0.556 4.895 4.340 -0.000 0.000 0.268 323 L C -0.810 176.078 176.870 0.030 0.000 0.975 323 L CA 0.099 54.975 54.840 0.059 0.000 0.848 323 L CB 1.645 43.739 42.059 0.059 0.000 1.225 323 L HN 0.922 nan 8.230 nan 0.000 0.410 324 T N 4.170 118.731 114.554 0.012 0.000 2.771 324 T HA 0.785 5.135 4.350 -0.000 0.000 0.291 324 T C -0.028 174.668 174.700 -0.006 0.000 0.954 324 T CA -0.149 61.947 62.100 -0.007 0.000 1.045 324 T CB 1.195 70.045 68.868 -0.030 0.000 0.917 324 T HN 0.762 nan 8.240 nan 0.000 0.484 325 A N 3.701 126.533 122.820 0.020 0.000 2.318 325 A HA 0.723 5.042 4.320 -0.000 0.000 0.324 325 A C -0.229 177.385 177.584 0.051 0.000 1.170 325 A CA -0.715 51.361 52.037 0.066 0.000 0.810 325 A CB 0.451 19.554 19.000 0.171 0.000 1.198 325 A HN 0.894 nan 8.150 nan 0.000 0.484 326 L N 4.121 125.366 121.223 0.036 0.000 2.581 326 L HA 0.274 4.614 4.340 -0.000 0.000 0.241 326 L C -2.470 174.441 176.870 0.069 0.000 1.265 326 L CA -1.747 53.110 54.840 0.029 0.000 0.954 326 L CB 1.231 43.286 42.059 -0.007 0.000 1.269 326 L HN 0.434 nan 8.230 nan 0.000 0.475 327 P HA 0.020 nan 4.420 nan 0.000 0.267 327 P C -0.587 176.739 177.300 0.044 0.000 1.200 327 P CA 0.110 63.285 63.100 0.124 0.000 0.772 327 P CB 1.088 32.803 31.700 0.025 0.000 0.855 328 V N 4.683 124.618 119.914 0.035 0.000 2.483 328 V HA 0.409 4.529 4.120 -0.000 0.000 0.297 328 V C -0.069 176.022 176.094 -0.005 0.000 1.027 328 V CA -0.399 61.904 62.300 0.006 0.000 0.855 328 V CB 1.641 33.461 31.823 -0.004 0.000 0.995 328 V HN 0.387 nan 8.190 nan 0.000 0.424 329 I N 3.561 124.123 120.570 -0.014 0.000 2.569 329 I HA 0.507 4.677 4.170 -0.000 0.000 0.296 329 I C -0.225 175.892 176.117 0.000 0.000 1.028 329 I CA -0.290 60.997 61.300 -0.022 0.000 1.082 329 I CB 2.175 40.141 38.000 -0.058 0.000 1.264 329 I HN 0.774 nan 8.210 nan 0.000 0.429 330 E N 4.532 124.737 120.200 0.009 0.000 2.151 330 E HA 0.539 4.888 4.350 -0.000 0.000 0.275 330 E C -1.179 175.443 176.600 0.038 0.000 0.936 330 E CA -0.552 55.859 56.400 0.018 0.000 0.777 330 E CB 1.010 30.723 29.700 0.021 0.000 1.108 330 E HN 0.669 nan 8.360 nan 0.000 0.401 331 T N 1.821 116.405 114.554 0.050 0.000 2.925 331 T HA 0.371 4.720 4.350 -0.000 0.000 0.285 331 T C -0.237 174.502 174.700 0.066 0.000 1.021 331 T CA -1.082 61.063 62.100 0.076 0.000 1.042 331 T CB 1.630 70.579 68.868 0.135 0.000 1.037 331 T HN 0.328 nan 8.240 nan 0.000 0.481 332 Q N 0.877 120.721 119.800 0.072 0.000 2.372 332 Q HA 0.489 4.829 4.340 -0.000 0.000 0.259 332 Q C 0.981 177.022 176.000 0.067 0.000 0.993 332 Q CA 0.090 55.931 55.803 0.064 0.000 0.854 332 Q CB 1.117 29.893 28.738 0.064 0.000 1.231 332 Q HN 1.343 nan 8.270 nan 0.000 0.462 333 G N 1.788 110.626 108.800 0.062 0.000 2.143 333 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.248 333 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.248 333 G C 0.689 175.642 174.900 0.088 0.000 0.991 333 G CA 0.460 45.599 45.100 0.065 0.000 0.689 333 G HN 1.266 nan 8.290 nan 0.000 0.522 334 G N -0.619 108.251 108.800 0.115 0.000 2.221 334 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.265 334 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.265 334 G C 0.001 175.010 174.900 0.182 0.000 1.041 334 G CA 0.979 46.201 45.100 0.202 0.000 0.807 334 G HN 1.524 nan 8.290 nan 0.000 0.502 335 D N 0.215 120.690 120.400 0.125 0.000 2.499 335 D HA 0.431 5.070 4.640 -0.000 0.000 0.225 335 D C 1.778 178.113 176.300 0.057 0.000 1.124 335 D CA 0.096 54.140 54.000 0.075 0.000 0.938 335 D CB 0.629 41.467 40.800 0.063 0.000 1.014 335 D HN 0.518 nan 8.370 nan 0.000 0.517 336 V N 1.128 121.045 119.914 0.005 0.000 2.809 336 V HA -0.072 4.047 4.120 -0.000 0.000 0.256 336 V C 1.605 177.678 176.094 -0.036 0.000 1.080 336 V CA 1.075 63.347 62.300 -0.047 0.000 1.102 336 V CB -0.559 31.135 31.823 -0.215 0.000 0.705 336 V HN 0.323 nan 8.190 nan 0.000 0.475 337 S N 1.033 116.721 115.700 -0.020 0.000 2.603 337 S HA 0.429 4.899 4.470 -0.000 0.000 0.229 337 S C 1.226 175.845 174.600 0.031 0.000 0.972 337 S CA 0.501 58.700 58.200 -0.003 0.000 0.935 337 S CB -0.563 62.637 63.200 -0.000 0.000 0.769 337 S HN 0.941 nan 8.310 nan 0.000 0.536 338 A N 0.710 123.555 122.820 0.041 0.000 2.346 338 A HA 0.369 4.689 4.320 -0.000 0.000 0.255 338 A C 0.929 178.572 177.584 0.099 0.000 1.113 338 A CA -0.154 51.930 52.037 0.078 0.000 0.798 338 A CB -0.162 18.884 19.000 0.077 0.000 1.073 338 A HN 0.318 nan 8.150 nan 0.000 0.502 339 Y N 0.203 120.495 120.300 -0.012 0.000 2.084 339 Y HA -0.150 4.399 4.550 -0.001 0.000 0.279 339 Y C 1.986 177.830 175.900 -0.094 0.000 1.119 339 Y CA 1.982 60.057 58.100 -0.041 0.000 1.101 339 Y CB -0.299 38.141 38.460 -0.034 0.000 0.989 339 Y HN 0.445 nan 8.280 nan 0.000 0.484 340 I N 0.967 121.345 120.570 -0.319 0.000 2.163 340 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 340 I C -0.370 175.563 176.117 -0.306 0.000 1.085 340 I CA 1.669 62.695 61.300 -0.456 0.000 1.347 340 I CB -2.817 34.961 38.000 -0.371 0.000 1.044 340 I HN 0.216 nan 8.210 nan 0.000 0.408 341 P HA -0.129 nan 4.420 nan 0.000 0.215 341 P C 1.837 179.067 177.300 -0.116 0.000 1.157 341 P CA 1.852 64.885 63.100 -0.111 0.000 0.874 341 P CB -0.199 31.479 31.700 -0.037 0.000 0.790 342 T N -0.811 113.680 114.554 -0.105 0.000 2.746 342 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 342 T C 1.645 176.302 174.700 -0.071 0.000 1.039 342 T CA 1.347 63.403 62.100 -0.074 0.000 1.142 342 T CB -0.902 67.942 68.868 -0.039 0.000 0.866 342 T HN 0.105 nan 8.240 nan 0.000 0.444 343 N N 1.090 119.706 118.700 -0.140 0.000 2.007 343 N HA -0.100 4.640 4.740 -0.000 0.000 0.197 343 N C 2.025 177.477 175.510 -0.096 0.000 1.050 343 N CA 1.152 54.178 53.050 -0.040 0.000 0.856 343 N CB -0.955 37.418 38.487 -0.189 0.000 1.050 343 N HN 0.202 nan 8.380 nan 0.000 0.423 344 V N 1.990 121.762 119.914 -0.236 0.000 2.469 344 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 344 V C 2.327 178.343 176.094 -0.129 0.000 1.064 344 V CA 0.991 63.145 62.300 -0.244 0.000 1.066 344 V CB -0.405 31.236 31.823 -0.303 0.000 0.667 344 V HN 0.252 nan 8.190 nan 0.000 0.461 345 I N 1.468 121.985 120.570 -0.088 0.000 2.226 345 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 345 I C 2.607 178.712 176.117 -0.020 0.000 1.100 345 I CA 2.322 63.593 61.300 -0.048 0.000 1.374 345 I CB -1.236 36.737 38.000 -0.046 0.000 1.057 345 I HN 0.576 nan 8.210 nan 0.000 0.413 346 S N 0.223 115.932 115.700 0.015 0.000 2.603 346 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 346 S C 1.680 176.319 174.600 0.064 0.000 0.972 346 S CA 0.321 58.559 58.200 0.063 0.000 0.935 346 S CB -0.194 63.085 63.200 0.132 0.000 0.769 346 S HN 0.244 nan 8.310 nan 0.000 0.536 347 I N 2.365 122.932 120.570 -0.006 0.000 2.499 347 I HA 0.057 4.227 4.170 -0.000 0.000 0.243 347 I C 1.535 177.626 176.117 -0.043 0.000 1.085 347 I CA 0.973 62.240 61.300 -0.055 0.000 1.422 347 I CB -1.993 35.907 38.000 -0.167 0.000 1.165 347 I HN 0.420 nan 8.210 nan 0.000 0.440 348 T N 0.463 114.987 114.554 -0.051 0.000 2.903 348 T HA 0.018 4.368 4.350 -0.000 0.000 0.314 348 T C 0.407 175.098 174.700 -0.015 0.000 1.078 348 T CA -0.293 61.787 62.100 -0.034 0.000 1.114 348 T CB 0.745 69.594 68.868 -0.032 0.000 0.987 348 T HN 0.153 nan 8.240 nan 0.000 0.548 349 D N 0.790 121.184 120.400 -0.009 0.000 2.336 349 D HA 0.343 4.983 4.640 -0.000 0.000 0.228 349 D C 0.916 177.217 176.300 0.000 0.000 1.120 349 D CA 0.033 54.032 54.000 -0.002 0.000 0.839 349 D CB -0.045 40.754 40.800 -0.001 0.000 0.932 349 D HN 0.852 nan 8.370 nan 0.000 0.509 350 G N 0.451 109.251 108.800 0.000 0.000 2.554 350 G HA2 0.526 4.485 3.960 -0.000 0.000 0.306 350 G HA3 0.526 4.485 3.960 -0.000 0.000 0.306 350 G C -1.982 172.923 174.900 0.010 0.000 1.320 350 G CA -0.891 44.212 45.100 0.006 0.000 0.800 350 G HN 0.098 nan 8.290 nan 0.000 0.481 351 Q N -0.699 119.115 119.800 0.023 0.000 2.613 351 Q HA 0.336 4.676 4.340 -0.000 0.000 0.231 351 Q C -1.796 174.245 176.000 0.068 0.000 0.879 351 Q CA -0.663 55.164 55.803 0.041 0.000 1.083 351 Q CB 0.815 29.572 28.738 0.032 0.000 1.588 351 Q HN 0.504 nan 8.270 nan 0.000 0.500 352 I N 3.558 124.173 120.570 0.075 0.000 2.347 352 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 352 I C -0.828 175.364 176.117 0.124 0.000 1.058 352 I CA -0.717 60.633 61.300 0.083 0.000 1.202 352 I CB 0.376 38.401 38.000 0.041 0.000 1.386 352 I HN 0.578 nan 8.210 nan 0.000 0.475 353 F N 7.846 127.795 119.950 -0.002 0.000 2.413 353 F HA 0.394 4.921 4.527 -0.001 0.000 0.359 353 F C -0.363 175.438 175.800 0.001 0.000 1.122 353 F CA -0.448 57.550 58.000 -0.004 0.000 1.160 353 F CB 0.477 39.477 39.000 -0.001 0.000 1.146 353 F HN 0.225 nan 8.300 nan 0.000 0.514 354 L N 6.640 127.555 121.223 -0.513 0.000 2.257 354 L HA 0.352 4.692 4.340 -0.000 0.000 0.290 354 L C -0.004 176.482 176.870 -0.641 0.000 1.044 354 L CA -0.422 54.165 54.840 -0.422 0.000 0.810 354 L CB 0.961 42.861 42.059 -0.265 0.000 1.193 354 L HN 0.556 nan 8.230 nan 0.000 0.425 355 E N 1.354 121.312 120.200 -0.403 0.000 2.277 355 E HA 0.334 4.684 4.350 -0.000 0.000 0.274 355 E C 0.333 176.860 176.600 -0.121 0.000 1.022 355 E CA -0.305 55.931 56.400 -0.272 0.000 0.853 355 E CB 2.048 31.708 29.700 -0.066 0.000 1.086 355 E HN 0.720 nan 8.360 nan 0.000 0.397 356 A N 2.446 125.227 122.820 -0.064 0.000 2.021 356 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 356 A C 1.901 179.594 177.584 0.181 0.000 1.163 356 A CA 1.097 53.147 52.037 0.020 0.000 0.676 356 A CB -0.193 18.855 19.000 0.081 0.000 0.818 356 A HN 0.798 nan 8.150 nan 0.000 0.453 357 E N 0.215 120.503 120.200 0.147 0.000 2.072 357 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 357 E C 1.718 178.405 176.600 0.145 0.000 0.985 357 E CA 1.038 57.539 56.400 0.169 0.000 0.801 357 E CB -0.214 29.553 29.700 0.111 0.000 0.750 357 E HN 0.596 nan 8.360 nan 0.000 0.452 358 L N 0.245 121.527 121.223 0.098 0.000 2.291 358 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 358 L C 2.289 179.192 176.870 0.055 0.000 1.120 358 L CA 0.379 55.262 54.840 0.071 0.000 0.799 358 L CB -0.344 41.749 42.059 0.057 0.000 0.925 358 L HN 0.225 nan 8.230 nan 0.000 0.446 359 F N 0.383 120.258 119.950 -0.125 0.000 2.051 359 F HA -0.257 4.269 4.527 -0.000 0.000 0.296 359 F C 2.178 177.830 175.800 -0.247 0.000 1.122 359 F CA 1.649 59.492 58.000 -0.262 0.000 1.201 359 F CB -0.383 38.327 39.000 -0.484 0.000 0.978 359 F HN -0.049 nan 8.300 nan 0.000 0.472 360 Y N 0.078 120.411 120.300 0.055 0.000 2.516 360 Y HA -0.006 4.544 4.550 0.000 0.000 0.291 360 Y C 2.226 178.088 175.900 -0.065 0.000 1.131 360 Y CA 0.931 59.004 58.100 -0.045 0.000 1.281 360 Y CB -0.699 37.805 38.460 0.074 0.000 1.013 360 Y HN 0.077 nan 8.280 nan 0.000 0.554 361 K N -0.508 119.940 120.400 0.079 0.000 2.432 361 K HA 0.108 4.427 4.320 -0.000 0.000 0.196 361 K C 1.352 177.948 176.600 -0.008 0.000 1.038 361 K CA 0.952 57.267 56.287 0.046 0.000 0.986 361 K CB -0.041 32.492 32.500 0.055 0.000 0.782 361 K HN 0.425 nan 8.250 nan 0.000 0.485 362 G N 0.372 109.129 108.800 -0.073 0.000 2.705 362 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.193 362 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.193 362 G C -0.245 174.590 174.900 -0.109 0.000 1.015 362 G CA -0.291 44.754 45.100 -0.092 0.000 0.743 362 G HN 0.093 nan 8.290 nan 0.000 0.476 363 I N 2.810 123.335 120.570 -0.075 0.000 2.505 363 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 363 I C 0.682 176.756 176.117 -0.072 0.000 1.104 363 I CA 0.442 61.714 61.300 -0.046 0.000 1.387 363 I CB 0.707 38.709 38.000 0.003 0.000 1.404 363 I HN 0.118 nan 8.210 nan 0.000 0.528 364 R N 7.454 127.914 120.500 -0.066 0.000 2.514 364 R HA 0.448 4.788 4.340 -0.000 0.000 0.296 364 R C -2.613 173.683 176.300 -0.006 0.000 1.012 364 R CA -1.697 54.378 56.100 -0.041 0.000 0.897 364 R CB 2.015 32.241 30.300 -0.124 0.000 1.184 364 R HN 0.301 nan 8.270 nan 0.000 0.440 365 P HA 0.064 nan 4.420 nan 0.000 0.274 365 P C -0.460 176.871 177.300 0.052 0.000 1.231 365 P CA -0.360 62.771 63.100 0.052 0.000 0.790 365 P CB 0.932 32.645 31.700 0.022 0.000 0.951 366 A N 4.081 126.957 122.820 0.093 0.000 3.051 366 A HA 0.195 4.515 4.320 -0.000 0.000 0.257 366 A C 0.741 178.328 177.584 0.006 0.000 1.785 366 A CA -0.342 51.731 52.037 0.060 0.000 1.420 366 A CB -1.648 17.415 19.000 0.105 0.000 1.063 366 A HN 0.444 nan 8.150 nan 0.000 0.630 367 I N 0.994 121.576 120.570 0.020 0.000 2.416 367 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 367 I C 0.425 176.577 176.117 0.058 0.000 1.051 367 I CA -0.389 60.928 61.300 0.028 0.000 1.375 367 I CB 0.685 38.706 38.000 0.036 0.000 1.407 367 I HN 0.372 nan 8.210 nan 0.000 0.516 368 N N 6.223 124.979 118.700 0.094 0.000 2.469 368 N HA 0.139 4.878 4.740 -0.000 0.000 0.239 368 N C 0.698 176.280 175.510 0.120 0.000 1.053 368 N CA -0.274 52.855 53.050 0.132 0.000 0.937 368 N CB 1.250 39.877 38.487 0.232 0.000 1.163 368 N HN 0.416 nan 8.380 nan 0.000 0.509 369 V N 2.839 122.808 119.914 0.092 0.000 2.546 369 V HA -0.178 3.942 4.120 -0.000 0.000 0.254 369 V C 2.202 178.337 176.094 0.068 0.000 1.076 369 V CA 2.218 64.564 62.300 0.078 0.000 1.087 369 V CB -0.999 30.870 31.823 0.077 0.000 0.674 369 V HN 0.717 nan 8.190 nan 0.000 0.470 370 G N -0.582 108.258 108.800 0.067 0.000 2.421 370 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 370 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 370 G C 1.465 176.384 174.900 0.032 0.000 1.143 370 G CA 0.505 45.631 45.100 0.043 0.000 0.784 370 G HN 0.512 nan 8.290 nan 0.000 0.541 371 L N 1.082 122.337 121.223 0.052 0.000 2.556 371 L HA 0.208 4.548 4.340 -0.000 0.000 0.226 371 L C 0.908 177.800 176.870 0.036 0.000 1.089 371 L CA 0.013 54.857 54.840 0.007 0.000 0.864 371 L CB 0.334 42.357 42.059 -0.060 0.000 1.067 371 L HN 0.187 nan 8.230 nan 0.000 0.477 372 S N 0.848 116.596 115.700 0.080 0.000 2.480 372 S HA 0.653 5.123 4.470 -0.000 0.000 0.286 372 S C -0.301 174.327 174.600 0.048 0.000 1.180 372 S CA -0.624 57.623 58.200 0.078 0.000 1.075 372 S CB 1.735 64.993 63.200 0.097 0.000 0.996 372 S HN 0.036 nan 8.310 nan 0.000 0.487 373 V N -0.959 118.977 119.914 0.036 0.000 3.147 373 V HA 0.866 4.985 4.120 -0.000 0.000 0.306 373 V C -0.447 175.660 176.094 0.022 0.000 1.209 373 V CA -0.822 61.493 62.300 0.026 0.000 1.023 373 V CB 1.587 33.420 31.823 0.017 0.000 1.059 373 V HN 0.879 nan 8.190 nan 0.000 0.435 374 S N 1.065 116.777 115.700 0.019 0.000 2.622 374 S HA 0.451 4.921 4.470 -0.000 0.000 0.283 374 S C 0.903 175.510 174.600 0.011 0.000 1.197 374 S CA -0.674 57.534 58.200 0.013 0.000 1.146 374 S CB 0.795 64.003 63.200 0.013 0.000 1.007 374 S HN 0.819 nan 8.310 nan 0.000 0.478 375 R N 2.364 122.869 120.500 0.009 0.000 2.139 375 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 375 R C 1.782 178.087 176.300 0.009 0.000 1.145 375 R CA 1.625 57.730 56.100 0.009 0.000 0.976 375 R CB -0.566 29.738 30.300 0.007 0.000 0.866 375 R HN 0.538 nan 8.270 nan 0.000 0.449 376 V N 0.237 120.155 119.914 0.007 0.000 2.295 376 V HA -0.133 3.986 4.120 -0.000 0.000 0.246 376 V C 1.688 177.787 176.094 0.009 0.000 1.049 376 V CA 1.807 64.111 62.300 0.007 0.000 1.024 376 V CB -1.110 30.713 31.823 -0.001 0.000 0.648 376 V HN 0.755 nan 8.190 nan 0.000 0.447 377 G N 0.410 109.215 108.800 0.009 0.000 2.539 377 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 377 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 377 G C 0.963 175.870 174.900 0.011 0.000 1.233 377 G CA 0.983 46.090 45.100 0.012 0.000 0.936 377 G HN 1.078 nan 8.290 nan 0.000 0.571 378 S N 0.376 116.085 115.700 0.014 0.000 2.500 378 S HA 0.234 4.703 4.470 -0.000 0.000 0.239 378 S C 2.579 177.189 174.600 0.016 0.000 0.989 378 S CA 1.742 59.951 58.200 0.015 0.000 0.951 378 S CB -0.415 62.795 63.200 0.017 0.000 0.759 378 S HN 2.152 nan 8.310 nan 0.000 0.523 379 A N 1.739 124.569 122.820 0.018 0.000 1.948 379 A HA 0.293 4.613 4.320 -0.000 0.000 0.220 379 A C 1.874 179.478 177.584 0.033 0.000 1.177 379 A CA 1.477 53.530 52.037 0.027 0.000 0.636 379 A CB -0.930 18.087 19.000 0.029 0.000 0.815 379 A HN 1.163 nan 8.150 nan 0.000 0.449 380 A N -0.987 121.838 122.820 0.009 0.000 3.154 380 A HA 0.561 4.881 4.320 -0.000 0.000 0.310 380 A C 0.006 177.574 177.584 -0.026 0.000 1.093 380 A CA -0.237 51.789 52.037 -0.017 0.000 1.006 380 A CB -0.095 18.875 19.000 -0.050 0.000 1.084 380 A HN 0.544 nan 8.150 nan 0.000 0.549 381 Q N -0.138 119.658 119.800 -0.008 0.000 2.458 381 Q HA 0.607 4.947 4.340 -0.000 0.000 0.282 381 Q C -1.217 174.784 176.000 0.001 0.000 1.106 381 Q CA -0.705 55.095 55.803 -0.005 0.000 0.814 381 Q CB 2.371 31.113 28.738 0.007 0.000 1.425 381 Q HN 0.219 nan 8.270 nan 0.000 0.437 382 V N 4.021 123.940 119.914 0.008 0.000 2.521 382 V HA -0.007 4.113 4.120 -0.000 0.000 0.286 382 V C 1.130 177.237 176.094 0.022 0.000 1.034 382 V CA -0.063 62.247 62.300 0.016 0.000 1.045 382 V CB 0.879 32.720 31.823 0.030 0.000 0.974 382 V HN 0.786 nan 8.190 nan 0.000 0.480 383 K N 4.136 124.548 120.400 0.020 0.000 2.074 383 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 383 K C 2.054 178.670 176.600 0.027 0.000 1.048 383 K CA 1.708 58.008 56.287 0.022 0.000 0.926 383 K CB -0.523 31.988 32.500 0.018 0.000 0.713 383 K HN 0.816 nan 8.250 nan 0.000 0.444 384 A N 0.702 123.539 122.820 0.028 0.000 2.066 384 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 384 A C 2.094 179.704 177.584 0.043 0.000 1.157 384 A CA 0.721 52.778 52.037 0.032 0.000 0.670 384 A CB -0.247 18.768 19.000 0.026 0.000 0.804 384 A HN 0.182 nan 8.150 nan 0.000 0.453 385 L N -0.498 120.749 121.223 0.041 0.000 2.270 385 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 385 L C 2.149 179.045 176.870 0.044 0.000 1.104 385 L CA 1.881 56.749 54.840 0.046 0.000 0.804 385 L CB -0.337 41.747 42.059 0.041 0.000 0.937 385 L HN 0.406 nan 8.230 nan 0.000 0.450 386 K N -1.100 119.322 120.400 0.037 0.000 2.097 386 K HA -0.217 4.102 4.320 -0.000 0.000 0.205 386 K C 2.033 178.656 176.600 0.039 0.000 1.050 386 K CA 1.370 57.677 56.287 0.033 0.000 0.938 386 K CB 0.097 32.613 32.500 0.027 0.000 0.718 386 K HN 0.272 nan 8.250 nan 0.000 0.442 387 Q N 0.313 120.143 119.800 0.050 0.000 1.967 387 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 387 Q C 2.075 178.125 176.000 0.084 0.000 0.985 387 Q CA 2.236 58.079 55.803 0.067 0.000 0.839 387 Q CB -0.458 28.329 28.738 0.082 0.000 0.906 387 Q HN 0.359 nan 8.270 nan 0.000 0.423 388 V N -2.239 117.746 119.914 0.118 0.000 2.688 388 V HA -0.015 4.104 4.120 -0.000 0.000 0.256 388 V C 0.935 177.055 176.094 0.043 0.000 1.084 388 V CA 1.381 63.763 62.300 0.137 0.000 1.103 388 V CB -1.109 30.820 31.823 0.177 0.000 0.688 388 V HN 0.256 nan 8.190 nan 0.000 0.480 389 A N 0.352 123.193 122.820 0.035 0.000 3.064 389 A HA 0.747 5.067 4.320 -0.000 0.000 0.339 389 A C 1.276 178.867 177.584 0.013 0.000 1.078 389 A CA 0.203 52.249 52.037 0.015 0.000 0.869 389 A CB 0.306 19.321 19.000 0.025 0.000 1.067 389 A HN 0.433 nan 8.150 nan 0.000 0.480 390 G N 0.313 109.111 108.800 -0.003 0.000 2.464 390 G HA2 0.059 4.019 3.960 -0.000 0.000 0.214 390 G HA3 0.059 4.019 3.960 -0.000 0.000 0.214 390 G C 0.817 175.722 174.900 0.008 0.000 1.218 390 G CA 1.292 46.392 45.100 0.000 0.000 0.794 390 G HN 0.628 nan 8.290 nan 0.000 0.542 391 S N -0.080 115.621 115.700 0.002 0.000 2.665 391 S HA 0.231 4.701 4.470 -0.000 0.000 0.235 391 S C 0.927 175.565 174.600 0.063 0.000 1.084 391 S CA -0.554 57.666 58.200 0.034 0.000 1.151 391 S CB 1.001 64.225 63.200 0.040 0.000 1.151 391 S HN 0.266 nan 8.310 nan 0.000 0.461 392 L N 2.634 123.885 121.223 0.046 0.000 2.005 392 L HA 0.125 4.464 4.340 -0.000 0.000 0.207 392 L C 2.213 179.167 176.870 0.140 0.000 1.072 392 L CA 2.067 56.954 54.840 0.079 0.000 0.744 392 L CB -0.470 41.611 42.059 0.037 0.000 0.895 392 L HN 0.327 nan 8.230 nan 0.000 0.433 393 K N -0.332 120.125 120.400 0.095 0.000 2.015 393 K HA -0.230 4.090 4.320 -0.000 0.000 0.216 393 K C 2.104 178.766 176.600 0.104 0.000 1.052 393 K CA 2.530 58.870 56.287 0.089 0.000 0.937 393 K CB -0.475 32.062 32.500 0.063 0.000 0.719 393 K HN 0.462 nan 8.250 nan 0.000 0.446 394 L N 0.067 121.353 121.223 0.104 0.000 2.187 394 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 394 L C 2.435 179.387 176.870 0.137 0.000 1.100 394 L CA 0.932 55.831 54.840 0.100 0.000 0.765 394 L CB -0.415 41.697 42.059 0.088 0.000 0.904 394 L HN 0.232 nan 8.230 nan 0.000 0.437 395 F N 0.374 120.342 119.950 0.029 0.000 2.187 395 F HA -0.101 4.426 4.527 -0.000 0.000 0.295 395 F C 2.155 178.001 175.800 0.076 0.000 1.091 395 F CA 1.198 59.221 58.000 0.038 0.000 1.308 395 F CB -0.074 38.934 39.000 0.013 0.000 1.030 395 F HN -0.159 nan 8.300 nan 0.000 0.487 396 L N -0.014 121.292 121.223 0.138 0.000 2.042 396 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 396 L C 2.733 179.649 176.870 0.078 0.000 1.076 396 L CA 1.267 56.165 54.840 0.096 0.000 0.749 396 L CB -1.142 40.988 42.059 0.118 0.000 0.893 396 L HN 0.228 nan 8.230 nan 0.000 0.432 397 A N -0.719 122.129 122.820 0.046 0.000 2.019 397 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 397 A C 2.151 179.717 177.584 -0.029 0.000 1.164 397 A CA 1.372 53.422 52.037 0.022 0.000 0.644 397 A CB -0.307 18.709 19.000 0.027 0.000 0.805 397 A HN 0.520 nan 8.150 nan 0.000 0.449 398 Q N -2.468 117.284 119.800 -0.080 0.000 2.398 398 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 398 Q C 1.613 177.497 176.000 -0.194 0.000 0.932 398 Q CA 0.788 56.511 55.803 -0.133 0.000 0.916 398 Q CB -0.107 28.548 28.738 -0.139 0.000 1.024 398 Q HN 0.885 nan 8.270 nan 0.000 0.504 399 Y N 0.752 120.840 120.300 -0.353 0.000 2.457 399 Y HA -0.011 4.538 4.550 -0.001 0.000 0.292 399 Y C 2.098 177.915 175.900 -0.139 0.000 1.125 399 Y CA 0.805 58.724 58.100 -0.302 0.000 1.254 399 Y CB 0.169 38.438 38.460 -0.319 0.000 1.012 399 Y HN -0.138 nan 8.280 nan 0.000 0.555 400 R N 1.554 121.894 120.500 -0.267 0.000 2.092 400 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 400 R C 1.873 178.025 176.300 -0.246 0.000 1.119 400 R CA 1.993 57.924 56.100 -0.282 0.000 0.970 400 R CB -0.322 29.924 30.300 -0.090 0.000 0.864 400 R HN 0.788 nan 8.270 nan 0.000 0.440 401 E N -0.537 119.561 120.200 -0.169 0.000 2.358 401 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 401 E C 1.762 178.300 176.600 -0.104 0.000 1.010 401 E CA 0.582 56.917 56.400 -0.108 0.000 0.856 401 E CB -0.120 29.539 29.700 -0.068 0.000 0.795 401 E HN 0.011 nan 8.360 nan 0.000 0.504 402 V N 1.786 121.599 119.914 -0.168 0.000 2.427 402 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 402 V C 2.447 178.492 176.094 -0.081 0.000 1.051 402 V CA 1.759 63.995 62.300 -0.106 0.000 1.048 402 V CB -0.494 31.261 31.823 -0.114 0.000 0.666 402 V HN 0.492 nan 8.190 nan 0.000 0.456 403 A N -0.344 122.350 122.820 -0.210 0.000 2.239 403 A HA 0.206 4.526 4.320 -0.000 0.000 0.209 403 A C 2.263 179.805 177.584 -0.070 0.000 1.171 403 A CA 1.263 53.206 52.037 -0.156 0.000 0.768 403 A CB -0.408 18.441 19.000 -0.253 0.000 0.790 403 A HN 0.520 nan 8.150 nan 0.000 0.478 404 A N -1.075 121.732 122.820 -0.021 0.000 1.897 404 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 404 A C 1.865 179.531 177.584 0.137 0.000 1.181 404 A CA 1.371 53.430 52.037 0.036 0.000 0.620 404 A CB -0.498 18.529 19.000 0.046 0.000 0.821 404 A HN 0.632 nan 8.150 nan 0.000 0.443 405 F N 0.582 120.551 119.950 0.033 0.000 2.387 405 F HA 0.403 4.932 4.527 0.003 0.000 0.294 405 F C 1.520 177.397 175.800 0.128 0.000 1.093 405 F CA 0.397 58.460 58.000 0.105 0.000 1.420 405 F CB -0.056 38.978 39.000 0.056 0.000 1.086 405 F HN 0.138 nan 8.300 nan 0.000 0.531 406 A N 0.890 123.757 122.820 0.079 0.000 2.915 406 A HA 0.327 4.646 4.320 -0.000 0.000 0.292 406 A C 0.727 178.251 177.584 -0.099 0.000 1.632 406 A CA 0.103 52.130 52.037 -0.017 0.000 1.337 406 A CB -0.284 18.739 19.000 0.038 0.000 1.111 406 A HN 0.567 nan 8.150 nan 0.000 0.569 407 Q N 0.254 119.943 119.800 -0.185 0.000 1.925 407 Q HA 0.253 4.593 4.340 -0.000 0.000 0.211 407 Q C 0.297 176.026 176.000 -0.451 0.000 0.698 407 Q CA 0.573 56.171 55.803 -0.341 0.000 0.840 407 Q CB 0.157 28.599 28.738 -0.494 0.000 1.218 407 Q HN 0.617 nan 8.270 nan 0.000 0.432 408 F N -0.627 119.201 119.950 -0.203 0.000 2.446 408 F HA 0.478 5.003 4.527 -0.002 0.000 0.292 408 F C 1.280 176.995 175.800 -0.141 0.000 1.096 408 F CA 0.858 58.754 58.000 -0.173 0.000 1.438 408 F CB 0.995 39.862 39.000 -0.221 0.000 1.107 408 F HN 0.097 nan 8.300 nan 0.000 0.546 409 G N 0.890 109.698 108.800 0.014 0.000 2.618 409 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 409 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 409 G C -0.436 174.462 174.900 -0.003 0.000 1.092 409 G CA -0.399 44.700 45.100 -0.001 0.000 0.856 409 G HN 0.127 nan 8.290 nan 0.000 0.496 410 S N 0.392 116.068 115.700 -0.039 0.000 2.525 410 S HA 0.441 4.910 4.470 -0.000 0.000 0.278 410 S C 0.220 174.877 174.600 0.095 0.000 1.234 410 S CA -0.597 57.612 58.200 0.016 0.000 1.058 410 S CB 1.756 64.942 63.200 -0.022 0.000 0.983 410 S HN 0.456 nan 8.310 nan 0.000 0.495 411 D N 2.214 122.671 120.400 0.094 0.000 2.458 411 D HA 0.042 4.682 4.640 -0.000 0.000 0.243 411 D C -0.381 175.988 176.300 0.115 0.000 1.146 411 D CA 0.184 54.235 54.000 0.085 0.000 0.877 411 D CB 0.425 41.262 40.800 0.062 0.000 1.176 411 D HN 0.368 nan 8.370 nan 0.000 0.461 412 L N 3.982 125.262 121.223 0.096 0.000 2.371 412 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 412 L C 1.226 178.134 176.870 0.064 0.000 1.124 412 L CA -0.758 54.140 54.840 0.097 0.000 0.816 412 L CB 0.959 43.070 42.059 0.087 0.000 1.129 412 L HN 0.483 nan 8.230 nan 0.000 0.448 413 D N 2.061 122.492 120.400 0.051 0.000 2.507 413 D HA 0.199 4.839 4.640 -0.000 0.000 0.280 413 D C 0.782 177.099 176.300 0.028 0.000 1.219 413 D CA -0.295 53.722 54.000 0.029 0.000 1.085 413 D CB 0.886 41.693 40.800 0.012 0.000 1.134 413 D HN 0.470 nan 8.370 nan 0.000 0.583 414 A N -0.182 122.649 122.820 0.019 0.000 1.929 414 A HA -0.080 4.239 4.320 -0.000 0.000 0.216 414 A C 2.118 179.717 177.584 0.026 0.000 1.176 414 A CA 1.233 53.281 52.037 0.019 0.000 0.628 414 A CB -0.629 18.378 19.000 0.011 0.000 0.816 414 A HN 0.447 nan 8.150 nan 0.000 0.444 415 S N -0.661 115.052 115.700 0.021 0.000 2.603 415 S HA -0.007 4.462 4.470 -0.000 0.000 0.220 415 S C 1.614 176.239 174.600 0.041 0.000 0.967 415 S CA 1.268 59.485 58.200 0.028 0.000 0.920 415 S CB -0.130 63.077 63.200 0.012 0.000 0.773 415 S HN 0.891 nan 8.310 nan 0.000 0.529 416 T N -1.993 112.587 114.554 0.042 0.000 2.964 416 T HA 0.288 4.638 4.350 -0.000 0.000 0.250 416 T C 1.565 176.311 174.700 0.078 0.000 0.982 416 T CA -0.236 61.898 62.100 0.056 0.000 0.959 416 T CB 0.017 68.914 68.868 0.049 0.000 1.141 416 T HN -0.050 nan 8.240 nan 0.000 0.494 417 K N 1.206 121.646 120.400 0.067 0.000 2.076 417 K HA 0.033 4.353 4.320 -0.000 0.000 0.204 417 K C 2.401 179.042 176.600 0.068 0.000 1.051 417 K CA 1.465 57.791 56.287 0.066 0.000 0.949 417 K CB -0.246 32.283 32.500 0.049 0.000 0.726 417 K HN 0.411 nan 8.250 nan 0.000 0.443 418 Q N 0.571 120.410 119.800 0.065 0.000 2.061 418 Q HA -0.130 4.209 4.340 -0.000 0.000 0.204 418 Q C 1.758 177.829 176.000 0.118 0.000 0.984 418 Q CA 2.945 58.786 55.803 0.064 0.000 0.846 418 Q CB -0.548 28.220 28.738 0.050 0.000 0.902 418 Q HN 0.435 nan 8.270 nan 0.000 0.421 419 T N -1.676 112.985 114.554 0.179 0.000 2.904 419 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 419 T C 1.832 176.667 174.700 0.224 0.000 1.059 419 T CA 0.977 63.261 62.100 0.306 0.000 1.137 419 T CB -0.438 68.582 68.868 0.254 0.000 0.879 419 T HN 0.335 nan 8.240 nan 0.000 0.467 420 L N 0.669 121.997 121.223 0.174 0.000 2.093 420 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 420 L C 2.572 179.526 176.870 0.141 0.000 1.085 420 L CA 0.997 55.957 54.840 0.200 0.000 0.755 420 L CB -0.227 41.921 42.059 0.150 0.000 0.904 420 L HN 0.149 nan 8.230 nan 0.000 0.435 421 V N -0.177 119.789 119.914 0.087 0.000 2.302 421 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 421 V C 2.643 178.737 176.094 -0.001 0.000 1.036 421 V CA 1.992 64.314 62.300 0.036 0.000 1.020 421 V CB -0.621 31.215 31.823 0.021 0.000 0.657 421 V HN 0.485 nan 8.190 nan 0.000 0.453 422 R N 0.408 120.919 120.500 0.019 0.000 2.075 422 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 422 R C 2.280 178.561 176.300 -0.032 0.000 1.126 422 R CA 1.746 57.840 56.100 -0.009 0.000 0.963 422 R CB -0.731 29.572 30.300 0.004 0.000 0.858 422 R HN 0.519 nan 8.270 nan 0.000 0.435 423 G N 0.364 109.156 108.800 -0.015 0.000 2.432 423 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 423 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 423 G C 1.271 175.624 174.900 -0.912 0.000 1.135 423 G CA 0.664 45.531 45.100 -0.388 0.000 0.767 423 G HN 0.491 nan 8.290 nan 0.000 0.550 424 E N -0.058 119.841 120.200 -0.502 0.000 2.158 424 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 424 E C 2.574 179.069 176.600 -0.175 0.000 0.982 424 E CA 0.089 56.315 56.400 -0.290 0.000 0.823 424 E CB 0.045 29.750 29.700 0.009 0.000 0.766 424 E HN 0.331 nan 8.360 nan 0.000 0.468 425 R N -0.147 120.266 120.500 -0.145 0.000 2.193 425 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 425 R C 2.272 178.502 176.300 -0.117 0.000 1.055 425 R CA 0.321 56.355 56.100 -0.110 0.000 0.995 425 R CB 0.093 30.330 30.300 -0.105 0.000 0.893 425 R HN 0.210 nan 8.270 nan 0.000 0.459 426 L N -0.125 121.013 121.223 -0.141 0.000 2.217 426 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 426 L C 1.938 178.754 176.870 -0.091 0.000 1.107 426 L CA 1.094 55.870 54.840 -0.107 0.000 0.783 426 L CB -0.346 41.662 42.059 -0.084 0.000 0.919 426 L HN 0.211 nan 8.230 nan 0.000 0.442 427 T N -1.324 113.153 114.554 -0.127 0.000 2.674 427 T HA -0.286 4.063 4.350 -0.000 0.000 0.265 427 T C 1.810 176.492 174.700 -0.031 0.000 1.039 427 T CA 1.394 63.455 62.100 -0.066 0.000 1.150 427 T CB -0.193 68.647 68.868 -0.048 0.000 0.864 427 T HN 0.161 nan 8.240 nan 0.000 0.427 428 Q N 0.409 120.188 119.800 -0.035 0.000 2.224 428 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 428 Q C 2.015 178.009 176.000 -0.010 0.000 0.970 428 Q CA 0.725 56.518 55.803 -0.017 0.000 0.865 428 Q CB -0.502 28.226 28.738 -0.016 0.000 0.922 428 Q HN 0.403 nan 8.270 nan 0.000 0.445 429 L N -0.731 120.477 121.223 -0.024 0.000 2.141 429 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 429 L C 1.410 178.282 176.870 0.003 0.000 1.094 429 L CA 1.563 56.395 54.840 -0.012 0.000 0.763 429 L CB -0.101 41.933 42.059 -0.042 0.000 0.908 429 L HN 0.302 nan 8.230 nan 0.000 0.437 430 L N -0.843 120.379 121.223 -0.002 0.000 2.592 430 L HA 0.067 4.407 4.340 -0.000 0.000 0.227 430 L C 0.853 177.729 176.870 0.011 0.000 1.127 430 L CA -0.091 54.754 54.840 0.009 0.000 0.884 430 L CB -0.205 41.860 42.059 0.010 0.000 1.065 430 L HN 0.089 nan 8.230 nan 0.000 0.457 431 K N 1.063 121.467 120.400 0.006 0.000 2.355 431 K HA 0.152 4.471 4.320 -0.000 0.000 0.270 431 K C -0.156 176.449 176.600 0.009 0.000 1.003 431 K CA 0.322 56.610 56.287 0.002 0.000 0.957 431 K CB 0.715 33.212 32.500 -0.006 0.000 0.939 431 K HN 0.005 nan 8.250 nan 0.000 0.482 432 Q N 1.536 121.338 119.800 0.003 0.000 2.418 432 Q HA 0.216 4.556 4.340 -0.000 0.000 0.282 432 Q C -1.396 174.607 176.000 0.005 0.000 1.044 432 Q CA -0.831 54.978 55.803 0.010 0.000 0.813 432 Q CB 1.676 30.421 28.738 0.012 0.000 1.428 432 Q HN 0.493 nan 8.270 nan 0.000 0.402 433 N N 1.978 120.689 118.700 0.019 0.000 2.509 433 N HA 0.181 4.921 4.740 -0.000 0.000 0.287 433 N C -0.859 174.665 175.510 0.023 0.000 1.121 433 N CA -0.176 52.892 53.050 0.029 0.000 0.977 433 N CB 1.227 39.747 38.487 0.054 0.000 1.167 433 N HN 0.546 nan 8.380 nan 0.000 0.476 434 Q N 0.469 120.276 119.800 0.011 0.000 2.432 434 Q HA -0.033 4.306 4.340 -0.000 0.000 0.264 434 Q C -0.280 175.736 176.000 0.027 0.000 1.035 434 Q CA 0.452 56.179 55.803 -0.127 0.000 0.908 434 Q CB 0.243 28.831 28.738 -0.249 0.000 1.280 434 Q HN 0.565 nan 8.270 nan 0.000 0.455 435 Y N -1.325 118.987 120.300 0.020 0.000 4.538 435 Y HA -0.269 4.281 4.550 -0.001 0.000 0.225 435 Y C -0.021 175.930 175.900 0.085 0.000 1.074 435 Y CA 0.762 58.887 58.100 0.042 0.000 1.942 435 Y CB -1.998 36.535 38.460 0.121 0.000 1.618 435 Y HN 0.370 nan 8.280 nan 0.000 0.642 436 S N -0.075 115.705 115.700 0.134 0.000 2.204 436 S HA 0.361 4.830 4.470 -0.000 0.000 0.178 436 S C -2.506 172.129 174.600 0.057 0.000 1.493 436 S CA -0.963 57.299 58.200 0.104 0.000 1.266 436 S CB 0.960 64.215 63.200 0.092 0.000 1.232 436 S HN -0.049 nan 8.310 nan 0.000 0.406 437 P HA 0.263 nan 4.420 nan 0.000 0.271 437 P C -0.664 176.649 177.300 0.022 0.000 1.216 437 P CA -0.268 62.850 63.100 0.029 0.000 0.776 437 P CB 0.584 32.300 31.700 0.027 0.000 0.881 438 L N 1.842 123.079 121.223 0.023 0.000 2.322 438 L HA 0.648 4.988 4.340 -0.000 0.000 0.279 438 L C 0.833 177.712 176.870 0.016 0.000 1.036 438 L CA -0.988 53.864 54.840 0.019 0.000 0.807 438 L CB 1.442 43.519 42.059 0.030 0.000 1.226 438 L HN 0.381 nan 8.230 nan 0.000 0.433 439 A N 1.625 124.445 122.820 0.000 0.000 2.280 439 A HA 0.353 4.673 4.320 -0.000 0.000 0.268 439 A C 1.163 178.769 177.584 0.038 0.000 1.111 439 A CA -0.101 51.936 52.037 -0.000 0.000 0.814 439 A CB 0.304 19.279 19.000 -0.041 0.000 1.093 439 A HN 0.837 nan 8.150 nan 0.000 0.498 440 T N 0.790 115.381 114.554 0.062 0.000 2.708 440 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 440 T C 1.587 176.317 174.700 0.050 0.000 1.037 440 T CA 1.691 63.833 62.100 0.070 0.000 1.146 440 T CB -0.269 68.655 68.868 0.093 0.000 0.865 440 T HN 0.829 nan 8.240 nan 0.000 0.435 441 E N 1.782 122.004 120.200 0.036 0.000 2.409 441 E HA -0.144 4.205 4.350 -0.000 0.000 0.198 441 E C 1.461 178.080 176.600 0.032 0.000 1.024 441 E CA 0.959 57.375 56.400 0.026 0.000 0.861 441 E CB -0.254 29.451 29.700 0.009 0.000 0.788 441 E HN 0.592 nan 8.360 nan 0.000 0.521 442 E N 0.484 120.705 120.200 0.034 0.000 2.216 442 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 442 E C 2.124 178.762 176.600 0.064 0.000 0.973 442 E CA 0.231 56.659 56.400 0.046 0.000 0.851 442 E CB 0.179 29.897 29.700 0.030 0.000 0.804 442 E HN 0.325 nan 8.360 nan 0.000 0.477 443 Q N 0.352 120.186 119.800 0.057 0.000 2.062 443 Q HA -0.072 4.268 4.340 -0.000 0.000 0.196 443 Q C 2.415 178.454 176.000 0.066 0.000 0.967 443 Q CA 0.900 56.738 55.803 0.058 0.000 0.832 443 Q CB 0.070 28.839 28.738 0.053 0.000 0.899 443 Q HN 0.108 nan 8.270 nan 0.000 0.442 444 V N 1.938 121.891 119.914 0.065 0.000 2.250 444 V HA -0.256 3.863 4.120 -0.000 0.000 0.250 444 V C -0.801 175.349 176.094 0.095 0.000 1.060 444 V CA 2.376 64.720 62.300 0.072 0.000 1.030 444 V CB -1.563 30.289 31.823 0.048 0.000 0.643 444 V HN 0.281 nan 8.190 nan 0.000 0.445 445 P HA -0.111 nan 4.420 nan 0.000 0.215 445 P C 1.983 179.321 177.300 0.063 0.000 1.157 445 P CA 1.363 64.551 63.100 0.146 0.000 0.863 445 P CB -0.083 31.796 31.700 0.299 0.000 0.787 446 L N -1.196 120.055 121.223 0.047 0.000 2.043 446 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 446 L C 2.449 179.312 176.870 -0.012 0.000 1.075 446 L CA 1.563 56.396 54.840 -0.012 0.000 0.752 446 L CB -0.850 41.236 42.059 0.045 0.000 0.891 446 L HN -0.072 nan 8.230 nan 0.000 0.432 447 I N -1.996 118.594 120.570 0.033 0.000 2.286 447 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 447 I C 2.506 178.640 176.117 0.029 0.000 1.104 447 I CA 1.227 62.541 61.300 0.025 0.000 1.397 447 I CB -0.447 37.579 38.000 0.043 0.000 1.072 447 I HN 0.146 nan 8.210 nan 0.000 0.417 448 Y N 2.002 122.274 120.300 -0.047 0.000 2.114 448 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 448 Y C 2.568 178.436 175.900 -0.052 0.000 1.165 448 Y CA 1.704 59.780 58.100 -0.041 0.000 1.148 448 Y CB -0.241 38.200 38.460 -0.032 0.000 0.972 448 Y HN 0.130 nan 8.280 nan 0.000 0.504 449 A N -0.686 122.154 122.820 0.034 0.000 2.225 449 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 449 A C 2.241 179.782 177.584 -0.071 0.000 1.164 449 A CA 1.446 53.444 52.037 -0.065 0.000 0.710 449 A CB -1.277 17.579 19.000 -0.240 0.000 0.780 449 A HN 0.604 nan 8.150 nan 0.000 0.473 450 G N -1.517 107.221 108.800 -0.104 0.000 2.651 450 G HA2 0.165 4.125 3.960 -0.000 0.000 0.207 450 G HA3 0.165 4.125 3.960 -0.000 0.000 0.207 450 G C 1.266 176.073 174.900 -0.154 0.000 1.131 450 G CA 0.954 45.978 45.100 -0.127 0.000 0.816 450 G HN 0.241 nan 8.290 nan 0.000 0.534 451 V N 1.364 121.169 119.914 -0.182 0.000 2.725 451 V HA -0.050 4.070 4.120 -0.000 0.000 0.247 451 V C 2.317 178.246 176.094 -0.275 0.000 1.058 451 V CA 1.093 63.249 62.300 -0.240 0.000 1.080 451 V CB -0.309 31.387 31.823 -0.212 0.000 0.713 451 V HN 0.335 nan 8.190 nan 0.000 0.465 452 N N 0.673 119.186 118.700 -0.313 0.000 2.270 452 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 452 N C 1.114 176.476 175.510 -0.247 0.000 1.016 452 N CA 1.195 54.060 53.050 -0.309 0.000 0.870 452 N CB 0.247 38.453 38.487 -0.468 0.000 0.979 452 N HN 0.565 nan 8.380 nan 0.000 0.431 453 G N 0.525 109.199 108.800 -0.211 0.000 2.905 453 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.210 453 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.210 453 G C -0.475 174.119 174.900 -0.509 0.000 0.991 453 G CA -0.511 44.408 45.100 -0.301 0.000 1.210 453 G HN 0.467 nan 8.290 nan 0.000 0.602 454 H N 0.000 118.997 119.070 -0.123 0.000 3.412 454 H HA 0.274 4.829 4.556 -0.001 0.000 0.233 454 H C 2.298 177.538 175.328 -0.147 0.000 0.953 454 H CA 0.037 56.031 56.048 -0.089 0.000 1.049 454 H CB 0.208 29.948 29.762 -0.037 0.000 1.406 454 H HN 0.297 nan 8.280 nan 0.000 0.557 455 L N 0.991 122.152 121.223 -0.104 0.000 2.599 455 L HA 0.002 4.342 4.340 -0.000 0.000 0.230 455 L C 0.780 177.541 176.870 -0.182 0.000 1.141 455 L CA 0.574 55.261 54.840 -0.255 0.000 0.877 455 L CB 0.109 41.965 42.059 -0.338 0.000 1.009 455 L HN 0.259 nan 8.230 nan 0.000 0.447 456 D N 0.129 120.454 120.400 -0.126 0.000 2.144 456 D HA -0.158 4.481 4.640 -0.000 0.000 0.199 456 D C 2.202 178.456 176.300 -0.077 0.000 0.984 456 D CA 1.380 55.323 54.000 -0.095 0.000 0.834 456 D CB -0.174 40.575 40.800 -0.084 0.000 0.955 456 D HN 0.295 nan 8.370 nan 0.000 0.465 457 G N 0.235 108.992 108.800 -0.072 0.000 2.408 457 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.217 457 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.217 457 G C 0.620 175.491 174.900 -0.048 0.000 1.150 457 G CA 0.057 45.128 45.100 -0.048 0.000 0.776 457 G HN 0.138 nan 8.290 nan 0.000 0.542 458 I N 1.031 121.553 120.570 -0.080 0.000 2.872 458 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 458 I C 0.801 176.889 176.117 -0.049 0.000 1.216 458 I CA -0.196 61.062 61.300 -0.071 0.000 1.424 458 I CB 0.649 38.550 38.000 -0.165 0.000 1.351 458 I HN 0.169 nan 8.210 nan 0.000 0.592 459 E N 3.579 123.769 120.200 -0.016 0.000 2.390 459 E HA 0.008 4.357 4.350 -0.000 0.000 0.261 459 E C 0.971 177.565 176.600 -0.010 0.000 1.076 459 E CA -0.509 55.887 56.400 -0.007 0.000 0.905 459 E CB 0.783 30.488 29.700 0.008 0.000 0.984 459 E HN 0.558 nan 8.360 nan 0.000 0.427 460 L N 3.363 124.581 121.223 -0.008 0.000 2.013 460 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 460 L C 1.993 178.866 176.870 0.004 0.000 1.073 460 L CA 2.083 56.919 54.840 -0.008 0.000 0.753 460 L CB -0.341 41.717 42.059 -0.001 0.000 0.890 460 L HN 0.498 nan 8.230 nan 0.000 0.432 461 S N -0.960 114.748 115.700 0.013 0.000 2.481 461 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 461 S C 1.729 176.351 174.600 0.036 0.000 0.996 461 S CA 0.504 58.717 58.200 0.022 0.000 0.942 461 S CB -0.256 62.956 63.200 0.020 0.000 0.768 461 S HN 0.418 nan 8.310 nan 0.000 0.520 462 R N 0.493 121.019 120.500 0.043 0.000 2.359 462 R HA 0.246 4.586 4.340 -0.000 0.000 0.231 462 R C 1.033 177.399 176.300 0.109 0.000 0.913 462 R CA -0.081 56.066 56.100 0.079 0.000 1.075 462 R CB -0.009 30.343 30.300 0.086 0.000 1.087 462 R HN 0.325 nan 8.270 nan 0.000 0.515 463 I N -0.022 120.584 120.570 0.061 0.000 2.202 463 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 463 I C 2.379 178.569 176.117 0.122 0.000 1.091 463 I CA 1.525 62.857 61.300 0.053 0.000 1.368 463 I CB -1.412 36.584 38.000 -0.006 0.000 1.058 463 I HN 0.207 nan 8.210 nan 0.000 0.410 464 G N 0.805 109.659 108.800 0.091 0.000 2.459 464 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 464 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 464 G C 1.536 176.511 174.900 0.126 0.000 1.183 464 G CA 0.629 45.784 45.100 0.092 0.000 0.776 464 G HN 0.466 nan 8.290 nan 0.000 0.552 465 E N -0.419 119.861 120.200 0.133 0.000 2.153 465 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 465 E C 2.057 178.768 176.600 0.185 0.000 0.988 465 E CA 0.569 57.050 56.400 0.135 0.000 0.811 465 E CB -0.240 29.533 29.700 0.121 0.000 0.746 465 E HN 0.485 nan 8.360 nan 0.000 0.466 466 F N 2.314 122.324 119.950 0.100 0.000 2.202 466 F HA -0.226 4.300 4.527 -0.000 0.000 0.301 466 F C 2.241 178.124 175.800 0.139 0.000 1.082 466 F CA 1.706 59.796 58.000 0.149 0.000 1.313 466 F CB 0.053 39.119 39.000 0.110 0.000 1.024 466 F HN -0.031 nan 8.300 nan 0.000 0.495 467 E N 0.071 120.418 120.200 0.244 0.000 2.012 467 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 467 E C 2.309 178.941 176.600 0.054 0.000 1.007 467 E CA 2.120 58.611 56.400 0.153 0.000 0.816 467 E CB -0.312 29.464 29.700 0.127 0.000 0.762 467 E HN 0.490 nan 8.360 nan 0.000 0.451 468 S N -0.089 115.636 115.700 0.042 0.000 2.402 468 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 468 S C 2.200 176.778 174.600 -0.035 0.000 1.021 468 S CA 1.309 59.515 58.200 0.011 0.000 0.974 468 S CB -0.264 62.950 63.200 0.024 0.000 0.800 468 S HN 0.226 nan 8.310 nan 0.000 0.484 469 S N 0.742 116.414 115.700 -0.046 0.000 2.355 469 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 469 S C 1.461 175.841 174.600 -0.366 0.000 1.031 469 S CA 0.943 59.100 58.200 -0.071 0.000 0.993 469 S CB -0.694 62.556 63.200 0.084 0.000 0.859 469 S HN 0.580 nan 8.310 nan 0.000 0.453 470 F N 1.605 121.122 119.950 -0.721 0.000 2.293 470 F HA 0.134 4.661 4.527 -0.000 0.000 0.300 470 F C 1.710 177.213 175.800 -0.496 0.000 1.086 470 F CA 1.096 58.498 58.000 -0.996 0.000 1.375 470 F CB -0.062 38.377 39.000 -0.936 0.000 1.045 470 F HN 0.194 nan 8.300 nan 0.000 0.516 471 L N -1.234 119.890 121.223 -0.165 0.000 2.240 471 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 471 L C 2.420 179.188 176.870 -0.171 0.000 1.106 471 L CA 0.828 55.602 54.840 -0.110 0.000 0.793 471 L CB -0.652 41.397 42.059 -0.016 0.000 0.927 471 L HN 0.007 nan 8.230 nan 0.000 0.446 472 S N -0.713 114.882 115.700 -0.175 0.000 2.355 472 S HA -0.228 4.242 4.470 -0.000 0.000 0.222 472 S C 1.886 176.381 174.600 -0.175 0.000 1.031 472 S CA 1.134 59.252 58.200 -0.136 0.000 0.993 472 S CB -0.429 62.725 63.200 -0.077 0.000 0.859 472 S HN 0.440 nan 8.310 nan 0.000 0.453 473 Y N 2.288 122.343 120.300 -0.409 0.000 2.193 473 Y HA -0.169 4.381 4.550 -0.000 0.000 0.285 473 Y C 1.777 177.465 175.900 -0.353 0.000 1.166 473 Y CA 1.317 59.172 58.100 -0.408 0.000 1.181 473 Y CB -0.383 37.612 38.460 -0.775 0.000 0.976 473 Y HN 0.151 nan 8.280 nan 0.000 0.520 474 L N 0.129 121.100 121.223 -0.419 0.000 2.023 474 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 474 L C 2.293 178.999 176.870 -0.273 0.000 1.073 474 L CA 1.556 56.181 54.840 -0.357 0.000 0.745 474 L CB -0.484 41.423 42.059 -0.253 0.000 0.900 474 L HN 0.034 nan 8.230 nan 0.000 0.435 475 K N -0.566 119.709 120.400 -0.208 0.000 2.585 475 K HA -0.054 4.265 4.320 -0.000 0.000 0.194 475 K C 1.786 178.284 176.600 -0.170 0.000 1.037 475 K CA 0.659 56.853 56.287 -0.154 0.000 0.964 475 K CB 0.080 32.512 32.500 -0.114 0.000 0.787 475 K HN 0.245 nan 8.250 nan 0.000 0.488 476 S N 0.235 115.794 115.700 -0.236 0.000 2.694 476 S HA 0.051 4.521 4.470 -0.000 0.000 0.225 476 S C 1.220 175.642 174.600 -0.296 0.000 1.012 476 S CA 0.158 58.221 58.200 -0.228 0.000 0.896 476 S CB -0.008 63.068 63.200 -0.207 0.000 0.838 476 S HN 0.232 nan 8.310 nan 0.000 0.604 477 N N 1.694 120.108 118.700 -0.476 0.000 2.236 477 N HA 0.040 4.780 4.740 -0.000 0.000 0.195 477 N C 0.504 175.698 175.510 -0.527 0.000 1.048 477 N CA 0.978 53.673 53.050 -0.592 0.000 0.927 477 N CB -0.679 37.240 38.487 -0.947 0.000 1.112 477 N HN 0.351 nan 8.380 nan 0.000 0.482 478 H N 1.255 120.107 119.070 -0.364 0.000 3.262 478 H HA 0.097 4.652 4.556 -0.001 0.000 0.270 478 H C 0.590 175.807 175.328 -0.185 0.000 1.431 478 H CA -0.050 55.864 56.048 -0.223 0.000 1.237 478 H CB -0.673 28.978 29.762 -0.185 0.000 1.443 478 H HN 0.304 nan 8.280 nan 0.000 0.609 479 N N 1.188 119.815 118.700 -0.121 0.000 2.381 479 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 479 N C 1.380 176.856 175.510 -0.057 0.000 1.025 479 N CA 0.461 53.453 53.050 -0.096 0.000 0.888 479 N CB 0.389 38.809 38.487 -0.112 0.000 0.965 479 N HN 0.424 nan 8.380 nan 0.000 0.438 480 E N 0.566 120.740 120.200 -0.043 0.000 2.153 480 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 480 E C 1.924 178.514 176.600 -0.018 0.000 0.988 480 E CA 0.282 56.666 56.400 -0.027 0.000 0.811 480 E CB -0.055 29.634 29.700 -0.018 0.000 0.746 480 E HN 0.351 nan 8.360 nan 0.000 0.466 481 L N 0.457 121.673 121.223 -0.011 0.000 2.017 481 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 481 L C 2.541 179.397 176.870 -0.024 0.000 1.073 481 L CA 1.275 56.102 54.840 -0.021 0.000 0.745 481 L CB -1.273 40.768 42.059 -0.031 0.000 0.894 481 L HN 0.179 nan 8.230 nan 0.000 0.432 482 L N -0.845 120.361 121.223 -0.027 0.000 2.083 482 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 482 L C 2.267 179.125 176.870 -0.019 0.000 1.083 482 L CA 1.335 56.161 54.840 -0.024 0.000 0.752 482 L CB -1.004 41.035 42.059 -0.035 0.000 0.899 482 L HN 0.243 nan 8.230 nan 0.000 0.433 483 T N -1.429 113.112 114.554 -0.022 0.000 3.085 483 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 483 T C 1.695 176.390 174.700 -0.009 0.000 1.127 483 T CA 0.574 62.664 62.100 -0.017 0.000 1.103 483 T CB 0.025 68.880 68.868 -0.022 0.000 0.921 483 T HN 0.239 nan 8.240 nan 0.000 0.510 484 E N 0.893 121.087 120.200 -0.010 0.000 2.190 484 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 484 E C 2.178 178.777 176.600 -0.001 0.000 0.978 484 E CA 0.350 56.747 56.400 -0.006 0.000 0.839 484 E CB -0.002 29.691 29.700 -0.011 0.000 0.787 484 E HN 0.383 nan 8.360 nan 0.000 0.473 485 I N 0.803 121.372 120.570 -0.002 0.000 2.315 485 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 485 I C 2.488 178.618 176.117 0.021 0.000 1.117 485 I CA 1.035 62.339 61.300 0.007 0.000 1.404 485 I CB -0.859 37.145 38.000 0.006 0.000 1.071 485 I HN 0.080 nan 8.210 nan 0.000 0.419 486 R N 0.966 121.478 120.500 0.021 0.000 2.073 486 R HA -0.129 4.210 4.340 -0.000 0.000 0.229 486 R C 2.132 178.458 176.300 0.043 0.000 1.120 486 R CA 1.259 57.382 56.100 0.038 0.000 0.967 486 R CB 0.180 30.494 30.300 0.024 0.000 0.862 486 R HN 0.408 nan 8.270 nan 0.000 0.436 487 E N -0.131 120.085 120.200 0.027 0.000 2.030 487 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 487 E C 2.061 178.675 176.600 0.023 0.000 0.974 487 E CA 0.629 57.045 56.400 0.026 0.000 0.807 487 E CB 0.128 29.837 29.700 0.015 0.000 0.771 487 E HN 0.072 nan 8.360 nan 0.000 0.451 488 K N -0.411 119.999 120.400 0.016 0.000 2.026 488 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 488 K C 1.816 178.427 176.600 0.017 0.000 1.048 488 K CA 1.354 57.649 56.287 0.013 0.000 0.929 488 K CB -0.438 32.067 32.500 0.008 0.000 0.713 488 K HN 0.393 nan 8.250 nan 0.000 0.439 489 G N 1.100 109.913 108.800 0.022 0.000 2.284 489 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.247 489 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.247 489 G C 0.180 175.092 174.900 0.021 0.000 1.012 489 G CA 0.610 45.726 45.100 0.026 0.000 0.618 489 G HN 0.425 nan 8.290 nan 0.000 0.521 490 E N 0.230 120.439 120.200 0.015 0.000 2.176 490 E HA 0.631 4.981 4.350 -0.000 0.000 0.267 490 E C -0.047 176.559 176.600 0.010 0.000 0.893 490 E CA -0.935 55.474 56.400 0.014 0.000 0.761 490 E CB 0.881 30.588 29.700 0.012 0.000 1.133 490 E HN 0.249 nan 8.360 nan 0.000 0.409 491 L N 3.935 125.165 121.223 0.012 0.000 2.360 491 L HA 0.219 4.559 4.340 -0.000 0.000 0.276 491 L C 0.221 177.096 176.870 0.008 0.000 1.121 491 L CA -0.075 54.767 54.840 0.005 0.000 0.845 491 L CB 0.933 42.996 42.059 0.007 0.000 1.143 491 L HN 0.598 nan 8.230 nan 0.000 0.452 492 S N 2.087 117.788 115.700 0.002 0.000 2.718 492 S HA 0.394 4.864 4.470 -0.000 0.000 0.300 492 S C 0.760 175.363 174.600 0.005 0.000 1.117 492 S CA -0.995 57.208 58.200 0.006 0.000 1.002 492 S CB 1.757 64.959 63.200 0.003 0.000 1.092 492 S HN 0.546 nan 8.310 nan 0.000 0.542 493 K N 0.356 120.762 120.400 0.010 0.000 2.113 493 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 493 K C 1.960 178.563 176.600 0.005 0.000 1.047 493 K CA 1.898 58.193 56.287 0.013 0.000 0.928 493 K CB -0.284 32.224 32.500 0.014 0.000 0.716 493 K HN 0.698 nan 8.250 nan 0.000 0.446 494 E N 1.050 121.250 120.200 0.001 0.000 2.023 494 E HA -0.155 4.194 4.350 -0.000 0.000 0.196 494 E C 1.835 178.427 176.600 -0.014 0.000 1.003 494 E CA 1.301 57.699 56.400 -0.003 0.000 0.809 494 E CB -0.138 29.561 29.700 -0.003 0.000 0.755 494 E HN 0.175 nan 8.360 nan 0.000 0.449 495 L N -0.190 121.021 121.223 -0.020 0.000 2.056 495 L HA -0.136 4.203 4.340 -0.000 0.000 0.207 495 L C 2.525 179.354 176.870 -0.067 0.000 1.078 495 L CA 0.797 55.613 54.840 -0.040 0.000 0.749 495 L CB -0.363 41.674 42.059 -0.037 0.000 0.901 495 L HN 0.198 nan 8.230 nan 0.000 0.433 496 L N -0.491 120.700 121.223 -0.054 0.000 2.079 496 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 496 L C 2.838 179.671 176.870 -0.060 0.000 1.081 496 L CA 1.210 56.007 54.840 -0.073 0.000 0.752 496 L CB -0.718 41.343 42.059 0.004 0.000 0.896 496 L HN 0.278 nan 8.230 nan 0.000 0.433 497 A N -0.793 122.014 122.820 -0.021 0.000 1.877 497 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 497 A C 2.505 180.071 177.584 -0.029 0.000 1.186 497 A CA 2.135 54.171 52.037 -0.003 0.000 0.620 497 A CB -0.644 18.360 19.000 0.007 0.000 0.822 497 A HN 0.378 nan 8.150 nan 0.000 0.443 498 S N -0.537 115.132 115.700 -0.051 0.000 2.368 498 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 498 S C 1.874 176.392 174.600 -0.136 0.000 1.030 498 S CA 1.456 59.612 58.200 -0.073 0.000 0.999 498 S CB -0.452 62.711 63.200 -0.062 0.000 0.844 498 S HN 0.488 nan 8.310 nan 0.000 0.459 499 L N 2.291 123.408 121.223 -0.177 0.000 2.046 499 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 499 L C 2.206 178.936 176.870 -0.233 0.000 1.077 499 L CA 1.787 56.470 54.840 -0.262 0.000 0.747 499 L CB -0.574 41.236 42.059 -0.415 0.000 0.896 499 L HN 0.049 nan 8.230 nan 0.000 0.432 500 K N -0.504 119.804 120.400 -0.152 0.000 2.074 500 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 500 K C 1.999 178.632 176.600 0.055 0.000 1.048 500 K CA 1.954 58.272 56.287 0.051 0.000 0.926 500 K CB -0.300 32.282 32.500 0.137 0.000 0.713 500 K HN 0.470 nan 8.250 nan 0.000 0.444 501 S N 0.482 116.185 115.700 0.005 0.000 2.371 501 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 501 S C 2.091 176.687 174.600 -0.007 0.000 1.029 501 S CA 1.024 59.236 58.200 0.019 0.000 0.978 501 S CB -0.223 62.982 63.200 0.008 0.000 0.833 501 S HN 0.500 nan 8.310 nan 0.000 0.466 502 A N 1.732 124.472 122.820 -0.134 0.000 1.908 502 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 502 A C 2.318 179.933 177.584 0.052 0.000 1.181 502 A CA 2.126 54.026 52.037 -0.227 0.000 0.627 502 A CB -1.442 17.216 19.000 -0.570 0.000 0.818 502 A HN 0.498 nan 8.150 nan 0.000 0.445 503 T N 0.211 114.819 114.554 0.089 0.000 2.622 503 T HA -0.174 4.175 4.350 -0.000 0.000 0.266 503 T C 1.696 176.521 174.700 0.208 0.000 1.047 503 T CA 1.656 63.897 62.100 0.235 0.000 1.159 503 T CB -0.424 68.443 68.868 -0.002 0.000 0.863 503 T HN 0.663 nan 8.240 nan 0.000 0.422 504 E N 0.895 121.175 120.200 0.133 0.000 2.267 504 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 504 E C 2.349 179.044 176.600 0.159 0.000 0.998 504 E CA 0.936 57.456 56.400 0.200 0.000 0.830 504 E CB -0.173 29.651 29.700 0.207 0.000 0.751 504 E HN 0.356 nan 8.360 nan 0.000 0.491 505 S N -0.370 115.417 115.700 0.144 0.000 2.423 505 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 505 S C 1.457 176.071 174.600 0.023 0.000 1.014 505 S CA 0.671 58.944 58.200 0.121 0.000 0.965 505 S CB -0.074 63.264 63.200 0.231 0.000 0.785 505 S HN 0.340 nan 8.310 nan 0.000 0.495 506 F N 1.084 120.915 119.950 -0.198 0.000 2.619 506 F HA 0.258 4.784 4.527 -0.001 0.000 0.293 506 F C 1.772 177.563 175.800 -0.015 0.000 1.119 506 F CA 0.279 58.072 58.000 -0.346 0.000 1.445 506 F CB 0.026 38.614 39.000 -0.687 0.000 1.119 506 F HN 0.004 nan 8.300 nan 0.000 0.573 507 V N 0.665 120.688 119.914 0.182 0.000 2.392 507 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 507 V C 1.310 177.402 176.094 -0.003 0.000 1.059 507 V CA 1.294 63.694 62.300 0.166 0.000 1.051 507 V CB -1.501 30.444 31.823 0.203 0.000 0.658 507 V HN 0.321 nan 8.190 nan 0.000 0.455 508 A N -0.386 122.410 122.820 -0.040 0.000 2.256 508 A HA 0.587 4.906 4.320 -0.000 0.000 0.317 508 A C 0.371 177.870 177.584 -0.140 0.000 1.318 508 A CA 0.240 52.237 52.037 -0.067 0.000 0.894 508 A CB 0.182 19.173 19.000 -0.015 0.000 1.165 508 A HN 0.425 nan 8.150 nan 0.000 0.525 509 T N 0.000 114.444 114.554 -0.183 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.976 62.100 -0.206 0.000 1.349 509 T CB 0.000 68.806 68.868 -0.104 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658