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 2xok_1_A 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 AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 0.000 175.523 175.510 0.021 0.000 1.280 26 N CA 0.000 53.061 53.050 0.018 0.000 0.885 26 N CB 0.000 38.493 38.487 0.011 0.000 1.341 27 L N 0.109 121.348 121.223 0.025 0.000 4.625 27 L HA -0.268 4.072 4.340 -0.000 0.000 0.428 27 L C -0.062 176.799 176.870 -0.016 0.000 1.129 27 L CA 0.828 55.682 54.840 0.023 0.000 0.978 27 L CB -1.754 40.344 42.059 0.066 0.000 2.043 27 L HN 0.489 nan 8.230 nan 0.000 0.847 28 N N -0.566 118.124 118.700 -0.017 0.000 2.407 28 N HA 0.026 4.766 4.740 -0.000 0.000 0.182 28 N C 1.483 176.973 175.510 -0.033 0.000 1.079 28 N CA 0.700 53.732 53.050 -0.030 0.000 0.882 28 N CB 0.353 38.827 38.487 -0.022 0.000 1.106 28 N HN 0.393 nan 8.380 nan 0.000 0.461 29 E N -0.060 120.124 120.200 -0.027 0.000 2.434 29 E HA 0.119 4.469 4.350 -0.000 0.000 0.207 29 E C 0.245 176.821 176.600 -0.041 0.000 0.929 29 E CA 0.426 56.807 56.400 -0.031 0.000 1.001 29 E CB 0.801 30.488 29.700 -0.022 0.000 1.016 29 E HN 0.292 nan 8.360 nan 0.000 0.502 30 T N -1.548 112.986 114.554 -0.033 0.000 2.916 30 T HA 0.792 5.142 4.350 -0.000 0.000 0.292 30 T C 0.301 174.986 174.700 -0.025 0.000 1.055 30 T CA -0.767 61.310 62.100 -0.038 0.000 1.009 30 T CB 2.510 71.365 68.868 -0.022 0.000 1.118 30 T HN 0.011 nan 8.240 nan 0.000 0.497 31 G N 0.370 109.150 108.800 -0.034 0.000 2.733 31 G HA2 0.681 4.641 3.960 -0.000 0.000 0.288 31 G HA3 0.681 4.641 3.960 -0.000 0.000 0.288 31 G C -1.452 173.468 174.900 0.034 0.000 1.373 31 G CA -1.055 44.051 45.100 0.010 0.000 0.895 31 G HN 0.605 nan 8.290 nan 0.000 0.479 32 R N 0.213 120.776 120.500 0.106 0.000 2.439 32 R HA 0.393 4.733 4.340 -0.000 0.000 0.310 32 R C -0.471 175.895 176.300 0.109 0.000 0.955 32 R CA -0.790 55.364 56.100 0.091 0.000 0.853 32 R CB 1.563 31.910 30.300 0.077 0.000 1.171 32 R HN 0.330 nan 8.270 nan 0.000 0.449 33 V N 5.781 125.756 119.914 0.101 0.000 2.506 33 V HA -0.099 4.021 4.120 -0.000 0.000 0.296 33 V C 1.950 178.099 176.094 0.091 0.000 1.004 33 V CA 0.565 62.940 62.300 0.125 0.000 1.150 33 V CB -0.087 31.836 31.823 0.167 0.000 0.911 33 V HN 0.663 nan 8.190 nan 0.000 0.476 34 L N 4.545 125.825 121.223 0.096 0.000 2.068 34 L HA 0.269 4.608 4.340 -0.000 0.000 0.204 34 L C 1.049 177.948 176.870 0.047 0.000 1.076 34 L CA 1.604 56.484 54.840 0.067 0.000 0.753 34 L CB -0.146 41.965 42.059 0.087 0.000 0.910 34 L HN 0.791 nan 8.230 nan 0.000 0.439 35 A N -1.269 121.582 122.820 0.053 0.000 2.606 35 A HA 0.695 5.015 4.320 -0.000 0.000 0.293 35 A C -1.651 175.954 177.584 0.034 0.000 1.082 35 A CA -0.404 51.654 52.037 0.035 0.000 0.685 35 A CB 2.016 21.031 19.000 0.024 0.000 1.284 35 A HN -0.197 nan 8.150 nan 0.000 0.408 36 V N -0.068 119.854 119.914 0.014 0.000 2.932 36 V HA 0.937 5.057 4.120 -0.000 0.000 0.307 36 V C -0.151 175.932 176.094 -0.018 0.000 1.147 36 V CA 0.776 63.073 62.300 -0.005 0.000 0.951 36 V CB 2.115 33.923 31.823 -0.025 0.000 1.031 36 V HN 2.395 nan 8.190 nan 0.000 0.426 37 G N 2.766 111.550 108.800 -0.026 0.000 2.387 37 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 37 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 37 G C -1.033 173.851 174.900 -0.027 0.000 1.509 37 G CA 0.085 45.170 45.100 -0.026 0.000 0.806 37 G HN 0.959 nan 8.290 nan 0.000 0.546 38 D N -0.768 119.617 120.400 -0.024 0.000 2.702 38 D HA -0.120 4.520 4.640 -0.000 0.000 0.233 38 D C 1.726 178.013 176.300 -0.022 0.000 1.164 38 D CA 2.933 56.921 54.000 -0.020 0.000 0.638 38 D CB -1.212 39.577 40.800 -0.018 0.000 1.041 38 D HN 2.228 nan 8.370 nan 0.000 0.422 39 G N -1.424 107.358 108.800 -0.030 0.000 2.220 39 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.269 39 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.269 39 G C 0.360 175.236 174.900 -0.041 0.000 0.977 39 G CA 0.510 45.591 45.100 -0.032 0.000 0.634 39 G HN 0.527 nan 8.290 nan 0.000 0.539 40 I N 1.082 121.631 120.570 -0.035 0.000 2.412 40 I HA 0.691 4.861 4.170 -0.000 0.000 0.296 40 I C 0.436 176.544 176.117 -0.015 0.000 0.987 40 I CA -0.408 60.878 61.300 -0.023 0.000 1.180 40 I CB 1.538 39.528 38.000 -0.017 0.000 1.340 40 I HN 0.353 nan 8.210 nan 0.000 0.455 41 A N 6.805 129.637 122.820 0.021 0.000 2.356 41 A HA 0.691 5.011 4.320 -0.000 0.000 0.310 41 A C -0.379 177.261 177.584 0.093 0.000 1.075 41 A CA -0.735 51.343 52.037 0.068 0.000 0.746 41 A CB 1.155 20.227 19.000 0.120 0.000 1.221 41 A HN 0.725 nan 8.150 nan 0.000 0.443 42 R N 0.965 121.509 120.500 0.074 0.000 2.297 42 R HA 0.585 4.925 4.340 -0.000 0.000 0.308 42 R C -1.067 175.288 176.300 0.091 0.000 1.029 42 R CA -0.129 56.011 56.100 0.067 0.000 0.929 42 R CB 1.475 31.806 30.300 0.051 0.000 1.046 42 R HN 0.464 nan 8.270 nan 0.000 0.461 43 V N 4.380 124.339 119.914 0.076 0.000 2.709 43 V HA 0.306 4.426 4.120 -0.000 0.000 0.308 43 V C -0.823 175.325 176.094 0.091 0.000 1.062 43 V CA -0.896 61.455 62.300 0.085 0.000 0.901 43 V CB 1.799 33.640 31.823 0.030 0.000 1.003 43 V HN 0.571 nan 8.190 nan 0.000 0.425 44 F N 3.936 123.880 119.950 -0.011 0.000 2.427 44 F HA 0.678 5.205 4.527 -0.000 0.000 0.352 44 F C 1.000 176.785 175.800 -0.024 0.000 1.100 44 F CA 1.705 59.696 58.000 -0.014 0.000 1.191 44 F CB 0.957 39.952 39.000 -0.009 0.000 1.128 44 F HN 0.926 nan 8.300 nan 0.000 0.533 45 G N 4.286 112.741 108.800 -0.575 0.000 2.520 45 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 45 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 45 G C 0.155 174.944 174.900 -0.185 0.000 1.161 45 G CA -0.366 44.531 45.100 -0.339 0.000 0.946 45 G HN 1.314 nan 8.290 nan 0.000 0.565 46 L N -0.171 120.991 121.223 -0.103 0.000 3.762 46 L HA -0.205 4.135 4.340 -0.000 0.000 0.460 46 L C 1.385 178.198 176.870 -0.095 0.000 1.255 46 L CA 0.527 55.313 54.840 -0.090 0.000 0.783 46 L CB -1.256 40.745 42.059 -0.097 0.000 1.600 46 L HN 0.615 nan 8.230 nan 0.000 0.862 47 N N -0.036 118.607 118.700 -0.095 0.000 2.396 47 N HA -0.060 4.680 4.740 -0.000 0.000 0.180 47 N C 1.224 176.694 175.510 -0.066 0.000 1.028 47 N CA 0.989 53.982 53.050 -0.096 0.000 0.893 47 N CB -0.071 38.359 38.487 -0.094 0.000 0.967 47 N HN 0.524 nan 8.380 nan 0.000 0.440 48 N N 0.579 119.248 118.700 -0.053 0.000 2.322 48 N HA 0.118 4.858 4.740 -0.000 0.000 0.194 48 N C 0.195 175.684 175.510 -0.036 0.000 1.126 48 N CA -0.115 52.912 53.050 -0.039 0.000 0.845 48 N CB 0.645 39.114 38.487 -0.030 0.000 0.976 48 N HN 0.310 nan 8.380 nan 0.000 0.475 49 I N 1.281 121.824 120.570 -0.045 0.000 2.634 49 I HA -0.060 4.110 4.170 -0.000 0.000 0.284 49 I C 0.141 176.242 176.117 -0.028 0.000 1.124 49 I CA -0.199 61.078 61.300 -0.040 0.000 1.417 49 I CB 0.642 38.611 38.000 -0.053 0.000 1.396 49 I HN 0.026 nan 8.210 nan 0.000 0.571 50 Q N 5.516 125.306 119.800 -0.018 0.000 2.259 50 Q HA 0.470 4.810 4.340 -0.000 0.000 0.246 50 Q C -0.129 175.869 176.000 -0.004 0.000 0.920 50 Q CA -0.843 54.955 55.803 -0.008 0.000 0.895 50 Q CB 1.248 29.986 28.738 -0.000 0.000 1.220 50 Q HN 0.774 nan 8.270 nan 0.000 0.439 51 A N 2.443 125.264 122.820 0.002 0.000 2.522 51 A HA 0.033 4.353 4.320 -0.000 0.000 0.256 51 A C 0.099 177.697 177.584 0.022 0.000 1.086 51 A CA 0.336 52.379 52.037 0.010 0.000 0.763 51 A CB -0.336 18.674 19.000 0.016 0.000 1.024 51 A HN 0.969 nan 8.150 nan 0.000 0.502 52 E N -0.171 120.045 120.200 0.028 0.000 3.435 52 E HA -0.171 4.179 4.350 -0.000 0.000 0.312 52 E C 0.015 176.645 176.600 0.049 0.000 0.869 52 E CA 1.009 57.438 56.400 0.049 0.000 1.112 52 E CB -1.433 28.300 29.700 0.055 0.000 1.561 52 E HN 0.954 nan 8.360 nan 0.000 0.417 53 E N 0.995 121.210 120.200 0.026 0.000 2.344 53 E HA 0.240 4.590 4.350 -0.000 0.000 0.270 53 E C -0.385 176.230 176.600 0.025 0.000 1.021 53 E CA -0.417 55.996 56.400 0.022 0.000 0.887 53 E CB 0.602 30.302 29.700 -0.001 0.000 0.997 53 E HN 0.076 nan 8.360 nan 0.000 0.429 54 L N 5.673 126.927 121.223 0.052 0.000 2.410 54 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 54 L C -0.468 176.404 176.870 0.004 0.000 1.152 54 L CA 0.229 55.108 54.840 0.064 0.000 0.855 54 L CB 1.067 43.206 42.059 0.135 0.000 1.129 54 L HN 0.454 nan 8.230 nan 0.000 0.463 55 V N 1.254 121.142 119.914 -0.045 0.000 3.126 55 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 55 V C -0.801 175.240 176.094 -0.088 0.000 1.138 55 V CA -0.811 61.427 62.300 -0.104 0.000 1.034 55 V CB 1.965 33.658 31.823 -0.217 0.000 1.075 55 V HN 0.804 nan 8.190 nan 0.000 0.442 56 E N 0.520 120.633 120.200 -0.144 0.000 2.293 56 E HA 0.609 4.958 4.350 -0.000 0.000 0.270 56 E C -1.962 174.551 176.600 -0.146 0.000 0.879 56 E CA -0.671 55.711 56.400 -0.030 0.000 0.756 56 E CB 2.227 31.940 29.700 0.022 0.000 1.208 56 E HN 0.643 nan 8.360 nan 0.000 0.428 57 F N 0.950 120.899 119.950 -0.003 0.000 2.440 57 F HA 0.212 4.739 4.527 -0.000 0.000 0.328 57 F C 1.698 177.502 175.800 0.007 0.000 1.070 57 F CA -0.357 57.642 58.000 -0.002 0.000 1.011 57 F CB 1.727 40.723 39.000 -0.007 0.000 1.226 57 F HN 0.481 nan 8.300 nan 0.000 0.491 58 S N 0.122 115.933 115.700 0.184 0.000 2.392 58 S HA -0.257 4.213 4.470 -0.000 0.000 0.232 58 S C 2.141 176.803 174.600 0.104 0.000 1.041 58 S CA 1.889 60.155 58.200 0.110 0.000 1.026 58 S CB -0.538 62.717 63.200 0.092 0.000 0.845 58 S HN 0.742 nan 8.310 nan 0.000 0.465 59 S N 0.204 115.980 115.700 0.126 0.000 2.489 59 S HA 0.274 4.744 4.470 -0.000 0.000 0.228 59 S C 1.592 176.241 174.600 0.082 0.000 0.995 59 S CA 1.083 59.332 58.200 0.081 0.000 0.934 59 S CB -0.084 63.148 63.200 0.052 0.000 0.771 59 S HN 0.901 nan 8.310 nan 0.000 0.522 60 G N 0.043 108.915 108.800 0.120 0.000 2.213 60 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 60 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 60 G C 0.171 175.149 174.900 0.130 0.000 0.992 60 G CA -0.039 45.127 45.100 0.110 0.000 0.632 60 G HN 1.084 nan 8.290 nan 0.000 0.511 61 V N 1.369 121.360 119.914 0.127 0.000 2.740 61 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 61 V C 0.689 176.925 176.094 0.237 0.000 1.054 61 V CA 0.318 62.689 62.300 0.118 0.000 1.106 61 V CB 1.036 32.850 31.823 -0.016 0.000 0.957 61 V HN 0.347 nan 8.190 nan 0.000 0.486 62 K N 3.799 124.340 120.400 0.236 0.000 2.168 62 K HA 0.830 5.150 4.320 -0.000 0.000 0.239 62 K C -0.073 176.505 176.600 -0.037 0.000 0.999 62 K CA -0.090 56.334 56.287 0.229 0.000 0.900 62 K CB 1.823 34.541 32.500 0.364 0.000 1.111 62 K HN 0.978 nan 8.250 nan 0.000 0.452 63 G N 0.440 109.075 108.800 -0.275 0.000 2.623 63 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 63 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 63 G C -1.527 173.043 174.900 -0.551 0.000 1.437 63 G CA -0.895 43.802 45.100 -0.673 0.000 0.798 63 G HN 0.567 nan 8.290 nan 0.000 0.488 64 M N 0.289 119.613 119.600 -0.459 0.000 2.602 64 M HA 0.858 5.337 4.480 -0.000 0.000 0.312 64 M C -0.444 175.823 176.300 -0.056 0.000 1.181 64 M CA -1.034 54.184 55.300 -0.137 0.000 0.910 64 M CB 2.480 35.106 32.600 0.043 0.000 1.723 64 M HN 0.899 nan 8.290 nan 0.000 0.459 65 A N 3.636 126.441 122.820 -0.025 0.000 2.269 65 A HA 0.589 4.909 4.320 -0.000 0.000 0.302 65 A C 0.093 177.676 177.584 -0.000 0.000 1.266 65 A CA -0.720 51.306 52.037 -0.020 0.000 0.894 65 A CB 0.109 19.090 19.000 -0.032 0.000 1.147 65 A HN 1.061 nan 8.150 nan 0.000 0.537 66 L N 1.582 122.803 121.223 -0.003 0.000 2.515 66 L HA 0.176 4.516 4.340 -0.000 0.000 0.202 66 L C 0.055 176.924 176.870 -0.002 0.000 1.056 66 L CA 0.104 54.946 54.840 0.004 0.000 0.847 66 L CB -0.013 42.041 42.059 -0.009 0.000 1.131 66 L HN 0.547 nan 8.230 nan 0.000 0.484 67 N N 1.517 120.210 118.700 -0.011 0.000 2.422 67 N HA 0.389 5.129 4.740 -0.000 0.000 0.266 67 N C -0.932 174.567 175.510 -0.018 0.000 1.007 67 N CA 0.044 53.086 53.050 -0.013 0.000 0.941 67 N CB 1.404 39.881 38.487 -0.017 0.000 1.115 67 N HN 0.047 nan 8.380 nan 0.000 0.492 68 L N 2.091 123.303 121.223 -0.019 0.000 2.283 68 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 68 L C 0.441 177.293 176.870 -0.031 0.000 1.033 68 L CA -0.410 54.412 54.840 -0.030 0.000 0.848 68 L CB 0.671 42.712 42.059 -0.029 0.000 1.226 68 L HN 0.311 nan 8.230 nan 0.000 0.429 69 E N 3.297 123.474 120.200 -0.038 0.000 2.222 69 E HA 0.317 4.667 4.350 -0.000 0.000 0.267 69 E C -1.631 174.940 176.600 -0.049 0.000 0.963 69 E CA -1.798 54.582 56.400 -0.034 0.000 0.837 69 E CB 1.643 31.329 29.700 -0.024 0.000 1.183 69 E HN 0.264 nan 8.360 nan 0.000 0.403 70 P HA -0.248 nan 4.420 nan 0.000 0.216 70 P C 1.040 178.295 177.300 -0.075 0.000 1.167 70 P CA 1.761 64.834 63.100 -0.045 0.000 0.933 70 P CB 0.082 31.768 31.700 -0.024 0.000 0.793 71 G N -2.168 106.596 108.800 -0.060 0.000 2.744 71 G HA2 0.062 4.022 3.960 -0.000 0.000 0.211 71 G HA3 0.062 4.022 3.960 -0.000 0.000 0.211 71 G C 0.319 175.114 174.900 -0.175 0.000 1.146 71 G CA 0.114 45.159 45.100 -0.092 0.000 0.787 71 G HN 0.493 nan 8.290 nan 0.000 0.534 72 Q N -0.974 118.763 119.800 -0.105 0.000 2.511 72 Q HA 0.659 4.999 4.340 -0.000 0.000 0.289 72 Q C -1.815 174.145 176.000 -0.066 0.000 1.021 72 Q CA -0.994 54.764 55.803 -0.076 0.000 0.785 72 Q CB 2.260 31.007 28.738 0.016 0.000 1.472 72 Q HN -0.097 nan 8.270 nan 0.000 0.411 73 V N 0.284 120.167 119.914 -0.052 0.000 2.630 73 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 73 V C 0.210 176.296 176.094 -0.012 0.000 1.046 73 V CA -0.410 61.865 62.300 -0.041 0.000 0.934 73 V CB 1.739 33.529 31.823 -0.056 0.000 1.003 73 V HN 0.885 nan 8.190 nan 0.000 0.451 74 G N 3.820 112.614 108.800 -0.011 0.000 2.547 74 G HA2 0.655 4.615 3.960 -0.000 0.000 0.327 74 G HA3 0.655 4.615 3.960 -0.000 0.000 0.327 74 G C -0.782 174.119 174.900 0.002 0.000 1.118 74 G CA -0.251 44.849 45.100 -0.000 0.000 1.022 74 G HN 0.557 nan 8.290 nan 0.000 0.464 75 I N 2.381 122.967 120.570 0.027 0.000 2.359 75 I HA 0.309 4.479 4.170 -0.000 0.000 0.294 75 I C 0.463 176.595 176.117 0.026 0.000 0.987 75 I CA -1.044 60.276 61.300 0.035 0.000 1.225 75 I CB 2.191 40.252 38.000 0.102 0.000 1.366 75 I HN 0.339 nan 8.210 nan 0.000 0.466 76 V N 5.521 125.421 119.914 -0.024 0.000 2.509 76 V HA 0.542 4.661 4.120 -0.000 0.000 0.284 76 V C -0.196 175.824 176.094 -0.124 0.000 1.047 76 V CA -0.687 61.587 62.300 -0.043 0.000 0.952 76 V CB 1.146 32.962 31.823 -0.012 0.000 0.988 76 V HN 0.517 nan 8.190 nan 0.000 0.469 77 L N 4.038 125.205 121.223 -0.094 0.000 2.357 77 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 77 L C 0.585 177.461 176.870 0.011 0.000 1.080 77 L CA -0.399 54.354 54.840 -0.146 0.000 0.803 77 L CB 0.965 42.923 42.059 -0.169 0.000 1.174 77 L HN 0.611 nan 8.230 nan 0.000 0.443 78 F N 0.407 120.378 119.950 0.036 0.000 2.776 78 F HA 0.293 4.820 4.527 -0.000 0.000 0.300 78 F C 1.215 177.027 175.800 0.020 0.000 1.116 78 F CA -0.515 57.513 58.000 0.046 0.000 1.375 78 F CB -0.155 38.886 39.000 0.068 0.000 1.109 78 F HN 0.454 nan 8.300 nan 0.000 0.585 79 G N -1.242 107.642 108.800 0.139 0.000 2.866 79 G HA2 0.361 4.321 3.960 -0.000 0.000 0.289 79 G HA3 0.361 4.321 3.960 -0.000 0.000 0.289 79 G C -0.974 173.928 174.900 0.004 0.000 1.396 79 G CA -0.709 44.432 45.100 0.069 0.000 0.848 79 G HN -0.101 nan 8.290 nan 0.000 0.515 80 S N -0.412 115.285 115.700 -0.004 0.000 2.546 80 S HA 0.096 4.566 4.470 -0.000 0.000 0.290 80 S C 1.080 175.640 174.600 -0.067 0.000 1.290 80 S CA 0.425 58.611 58.200 -0.024 0.000 1.069 80 S CB 0.454 63.646 63.200 -0.014 0.000 0.846 80 S HN 0.552 nan 8.310 nan 0.000 0.495 81 D N 4.094 124.447 120.400 -0.079 0.000 2.352 81 D HA -0.064 4.576 4.640 -0.000 0.000 0.232 81 D C 1.479 177.727 176.300 -0.088 0.000 1.055 81 D CA 0.124 54.053 54.000 -0.119 0.000 0.891 81 D CB -0.280 40.455 40.800 -0.109 0.000 0.897 81 D HN 0.668 nan 8.370 nan 0.000 0.529 82 R N 0.426 120.891 120.500 -0.057 0.000 2.193 82 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 82 R C 1.673 177.946 176.300 -0.045 0.000 1.110 82 R CA 0.569 56.644 56.100 -0.040 0.000 0.988 82 R CB -0.196 30.090 30.300 -0.024 0.000 0.871 82 R HN 0.229 nan 8.270 nan 0.000 0.458 83 L N 0.398 121.584 121.223 -0.063 0.000 2.291 83 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 83 L C 0.282 177.110 176.870 -0.070 0.000 1.120 83 L CA 0.222 55.027 54.840 -0.057 0.000 0.799 83 L CB 0.299 42.319 42.059 -0.065 0.000 0.925 83 L HN -0.070 nan 8.230 nan 0.000 0.446 84 V N 0.191 120.035 119.914 -0.117 0.000 2.472 84 V HA 0.290 4.410 4.120 -0.000 0.000 0.290 84 V C -0.015 176.054 176.094 -0.042 0.000 1.037 84 V CA -0.747 61.483 62.300 -0.116 0.000 0.908 84 V CB 1.583 33.237 31.823 -0.282 0.000 0.985 84 V HN 0.112 nan 8.190 nan 0.000 0.454 85 K N 2.027 122.432 120.400 0.008 0.000 2.395 85 K HA 0.453 4.773 4.320 -0.000 0.000 0.247 85 K C -0.455 176.168 176.600 0.039 0.000 0.973 85 K CA -0.891 55.406 56.287 0.016 0.000 0.828 85 K CB 2.453 34.963 32.500 0.016 0.000 1.272 85 K HN 0.740 nan 8.250 nan 0.000 0.439 86 E N 0.295 120.511 120.200 0.028 0.000 2.465 86 E HA -0.022 4.328 4.350 -0.000 0.000 0.260 86 E C 0.488 177.107 176.600 0.032 0.000 0.980 86 E CA 1.294 57.713 56.400 0.032 0.000 0.927 86 E CB 0.180 29.890 29.700 0.017 0.000 0.934 86 E HN 0.791 nan 8.360 nan 0.000 0.459 87 G N 3.790 112.613 108.800 0.039 0.000 2.234 87 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.235 87 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.235 87 G C 0.310 175.235 174.900 0.041 0.000 0.997 87 G CA 0.261 45.377 45.100 0.027 0.000 0.623 87 G HN 0.643 nan 8.290 nan 0.000 0.514 88 E N 0.044 120.283 120.200 0.065 0.000 2.459 88 E HA 0.308 4.658 4.350 -0.000 0.000 0.264 88 E C 0.420 177.062 176.600 0.070 0.000 1.055 88 E CA -0.318 56.131 56.400 0.082 0.000 0.957 88 E CB 0.310 30.092 29.700 0.137 0.000 0.952 88 E HN 0.428 nan 8.360 nan 0.000 0.448 89 L N 4.011 125.265 121.223 0.051 0.000 2.326 89 L HA 0.305 4.645 4.340 -0.000 0.000 0.278 89 L C -1.211 175.636 176.870 -0.037 0.000 1.092 89 L CA -0.255 54.593 54.840 0.012 0.000 0.810 89 L CB 1.344 43.409 42.059 0.009 0.000 1.153 89 L HN 0.242 nan 8.230 nan 0.000 0.439 90 V N 4.242 124.088 119.914 -0.113 0.000 2.540 90 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 90 V C -0.472 175.504 176.094 -0.196 0.000 1.035 90 V CA -0.953 61.178 62.300 -0.281 0.000 0.873 90 V CB 1.612 33.153 31.823 -0.470 0.000 0.992 90 V HN 0.676 nan 8.190 nan 0.000 0.428 91 K N 3.512 123.795 120.400 -0.194 0.000 2.274 91 K HA 0.552 4.872 4.320 -0.000 0.000 0.262 91 K C -0.226 176.302 176.600 -0.119 0.000 0.961 91 K CA -0.804 55.414 56.287 -0.116 0.000 0.833 91 K CB 2.170 34.630 32.500 -0.066 0.000 1.102 91 K HN 0.545 nan 8.250 nan 0.000 0.436 92 R N 0.831 121.277 120.500 -0.091 0.000 2.619 92 R HA -0.071 4.269 4.340 -0.000 0.000 0.268 92 R C 1.039 177.313 176.300 -0.042 0.000 0.990 92 R CA 0.859 56.919 56.100 -0.067 0.000 1.092 92 R CB 0.245 30.516 30.300 -0.048 0.000 0.935 92 R HN 0.785 nan 8.270 nan 0.000 0.415 93 T N -1.328 113.210 114.554 -0.026 0.000 3.085 93 T HA 0.158 4.508 4.350 -0.000 0.000 0.264 93 T C 1.123 175.824 174.700 0.002 0.000 1.019 93 T CA 0.192 62.289 62.100 -0.004 0.000 0.910 93 T CB 0.604 69.481 68.868 0.015 0.000 1.059 93 T HN 0.801 nan 8.240 nan 0.000 0.542 94 G N 2.018 110.815 108.800 -0.005 0.000 2.321 94 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 94 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 94 G C -0.248 174.658 174.900 0.009 0.000 1.018 94 G CA 0.013 45.112 45.100 -0.001 0.000 0.855 94 G HN 0.620 nan 8.290 nan 0.000 0.507 95 N N -0.046 118.664 118.700 0.017 0.000 2.519 95 N HA 0.333 5.073 4.740 -0.000 0.000 0.286 95 N C 0.262 175.796 175.510 0.039 0.000 1.079 95 N CA -0.697 52.370 53.050 0.028 0.000 0.878 95 N CB 1.031 39.540 38.487 0.036 0.000 1.375 95 N HN 0.042 nan 8.380 nan 0.000 0.514 96 I N 1.894 122.485 120.570 0.035 0.000 2.710 96 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 96 I C 0.937 177.088 176.117 0.056 0.000 1.181 96 I CA -0.280 61.046 61.300 0.043 0.000 1.430 96 I CB -0.148 37.871 38.000 0.031 0.000 1.367 96 I HN 0.156 nan 8.210 nan 0.000 0.577 97 V N 6.628 126.590 119.914 0.079 0.000 2.644 97 V HA -0.099 4.021 4.120 -0.000 0.000 0.303 97 V C 0.449 176.575 176.094 0.053 0.000 1.058 97 V CA 0.194 62.547 62.300 0.088 0.000 1.228 97 V CB -0.926 30.965 31.823 0.113 0.000 0.861 97 V HN 0.923 nan 8.190 nan 0.000 0.484 98 D N 3.837 124.265 120.400 0.047 0.000 2.727 98 D HA 0.779 5.419 4.640 -0.000 0.000 0.264 98 D C -0.726 175.589 176.300 0.025 0.000 1.101 98 D CA -0.891 53.130 54.000 0.034 0.000 1.122 98 D CB 2.163 42.982 40.800 0.031 0.000 1.390 98 D HN 0.454 nan 8.370 nan 0.000 0.606 99 V N -0.531 119.395 119.914 0.019 0.000 3.000 99 V HA 0.483 4.602 4.120 -0.000 0.000 0.300 99 V C -2.866 173.226 176.094 -0.004 0.000 1.251 99 V CA -1.845 60.459 62.300 0.007 0.000 0.972 99 V CB 2.514 34.343 31.823 0.010 0.000 1.065 99 V HN 0.610 nan 8.190 nan 0.000 0.431 100 P HA 0.329 nan 4.420 nan 0.000 0.271 100 P C -0.855 176.398 177.300 -0.078 0.000 1.216 100 P CA 0.284 63.356 63.100 -0.046 0.000 0.776 100 P CB 1.395 33.062 31.700 -0.054 0.000 0.881 101 V N -0.531 119.310 119.914 -0.121 0.000 3.102 101 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 101 V C -0.237 175.529 176.094 -0.547 0.000 1.135 101 V CA -0.188 61.978 62.300 -0.223 0.000 1.022 101 V CB 1.423 33.212 31.823 -0.058 0.000 1.056 101 V HN 1.021 nan 8.190 nan 0.000 0.436 102 G N 2.570 110.712 108.800 -1.096 0.000 2.392 102 G HA2 0.127 4.087 3.960 -0.000 0.000 0.677 102 G HA3 0.127 4.087 3.960 -0.000 0.000 0.677 102 G C -2.521 171.647 174.900 -1.219 0.000 1.334 102 G CA -0.060 43.947 45.100 -1.823 0.000 0.961 102 G HN 0.801 nan 8.290 nan 0.000 0.616 103 P HA 0.062 nan 4.420 nan 0.000 0.237 103 P C 1.669 178.800 177.300 -0.281 0.000 1.178 103 P CA 1.361 64.099 63.100 -0.604 0.000 0.766 103 P CB -0.015 31.419 31.700 -0.443 0.000 0.876 104 G N -0.016 108.609 108.800 -0.292 0.000 2.708 104 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.210 104 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.210 104 G C 1.244 176.071 174.900 -0.122 0.000 1.141 104 G CA 0.130 45.135 45.100 -0.159 0.000 0.788 104 G HN 0.265 nan 8.290 nan 0.000 0.531 105 L N -0.434 120.704 121.223 -0.142 0.000 2.556 105 L HA 0.365 4.705 4.340 -0.000 0.000 0.226 105 L C 0.942 177.807 176.870 -0.008 0.000 1.089 105 L CA -0.262 54.532 54.840 -0.077 0.000 0.864 105 L CB 0.130 42.131 42.059 -0.097 0.000 1.067 105 L HN 0.051 nan 8.230 nan 0.000 0.477 106 L N 0.660 121.897 121.223 0.024 0.000 2.540 106 L HA 0.089 4.429 4.340 -0.000 0.000 0.276 106 L C 1.369 178.268 176.870 0.048 0.000 1.212 106 L CA 0.912 55.807 54.840 0.091 0.000 0.893 106 L CB -0.029 42.126 42.059 0.160 0.000 1.138 106 L HN 0.364 nan 8.230 nan 0.000 0.491 107 G N 1.645 110.466 108.800 0.036 0.000 2.143 107 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 107 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 107 G C 0.170 175.064 174.900 -0.010 0.000 0.991 107 G CA -0.364 44.733 45.100 -0.005 0.000 0.689 107 G HN 0.439 nan 8.290 nan 0.000 0.522 108 R N -0.856 119.643 120.500 -0.000 0.000 2.832 108 R HA 0.746 5.086 4.340 -0.000 0.000 0.271 108 R C -0.402 175.898 176.300 0.001 0.000 0.996 108 R CA -0.981 55.115 56.100 -0.005 0.000 0.977 108 R CB 1.882 32.176 30.300 -0.010 0.000 1.168 108 R HN 0.232 nan 8.270 nan 0.000 0.482 109 V N 2.896 122.809 119.914 -0.002 0.000 2.376 109 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 109 V C -0.025 176.071 176.094 0.004 0.000 1.015 109 V CA -0.754 61.550 62.300 0.006 0.000 0.834 109 V CB 1.546 33.370 31.823 0.002 0.000 1.001 109 V HN 0.562 nan 8.190 nan 0.000 0.428 110 V N 1.533 121.452 119.914 0.008 0.000 2.994 110 V HA 0.811 4.931 4.120 -0.000 0.000 0.318 110 V C -0.074 176.022 176.094 0.002 0.000 1.085 110 V CA -0.801 61.499 62.300 0.000 0.000 0.998 110 V CB 2.013 33.833 31.823 -0.005 0.000 1.063 110 V HN 0.763 nan 8.190 nan 0.000 0.447 111 D N 1.985 122.380 120.400 -0.008 0.000 2.440 111 D HA 0.449 5.089 4.640 -0.000 0.000 0.269 111 D C 1.057 177.340 176.300 -0.029 0.000 1.249 111 D CA 0.023 54.013 54.000 -0.017 0.000 1.055 111 D CB 1.050 41.835 40.800 -0.026 0.000 1.104 111 D HN 0.790 nan 8.370 nan 0.000 0.561 112 A N -0.882 121.908 122.820 -0.051 0.000 2.168 112 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 112 A C 2.079 179.618 177.584 -0.076 0.000 1.152 112 A CA 0.443 52.446 52.037 -0.057 0.000 0.716 112 A CB -0.674 18.285 19.000 -0.068 0.000 0.794 112 A HN 0.510 nan 8.150 nan 0.000 0.465 113 L N -1.699 119.467 121.223 -0.095 0.000 2.607 113 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 113 L C 1.556 178.401 176.870 -0.040 0.000 1.123 113 L CA 0.593 55.383 54.840 -0.084 0.000 0.890 113 L CB 0.201 42.190 42.059 -0.116 0.000 1.103 113 L HN 0.540 nan 8.230 nan 0.000 0.468 114 G N -0.451 108.329 108.800 -0.033 0.000 2.179 114 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 114 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 114 G C 0.062 174.949 174.900 -0.021 0.000 0.990 114 G CA -0.438 44.648 45.100 -0.023 0.000 0.646 114 G HN 0.313 nan 8.290 nan 0.000 0.517 115 N N 1.982 120.670 118.700 -0.021 0.000 2.508 115 N HA 0.435 5.174 4.740 -0.000 0.000 0.264 115 N C -2.495 173.008 175.510 -0.011 0.000 1.216 115 N CA -1.024 52.018 53.050 -0.014 0.000 0.943 115 N CB 1.047 39.528 38.487 -0.011 0.000 1.113 115 N HN 0.200 nan 8.380 nan 0.000 0.447 116 P HA 0.206 nan 4.420 nan 0.000 0.287 116 P C 0.368 177.666 177.300 -0.004 0.000 1.281 116 P CA -0.223 62.872 63.100 -0.008 0.000 0.781 116 P CB 0.379 32.073 31.700 -0.009 0.000 0.903 117 I N 0.254 120.822 120.570 -0.003 0.000 4.025 117 I HA 0.260 4.430 4.170 -0.000 0.000 0.336 117 I C 0.069 176.186 176.117 -0.001 0.000 1.390 117 I CA -0.078 61.222 61.300 -0.000 0.000 1.099 117 I CB -0.093 37.909 38.000 0.003 0.000 1.049 117 I HN 0.013 nan 8.210 nan 0.000 0.394 118 D N 0.454 120.851 120.400 -0.004 0.000 2.440 118 D HA 0.208 4.848 4.640 -0.000 0.000 0.216 118 D C 1.465 177.760 176.300 -0.008 0.000 1.150 118 D CA 0.069 54.065 54.000 -0.007 0.000 0.832 118 D CB 0.171 40.965 40.800 -0.010 0.000 0.992 118 D HN 0.339 nan 8.370 nan 0.000 0.502 119 G N 1.102 109.898 108.800 -0.006 0.000 2.198 119 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 119 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 119 G C 0.593 175.489 174.900 -0.008 0.000 1.025 119 G CA 0.378 45.474 45.100 -0.006 0.000 0.769 119 G HN 0.447 nan 8.290 nan 0.000 0.507 120 K N 0.107 120.502 120.400 -0.009 0.000 2.514 120 K HA 0.453 4.773 4.320 -0.000 0.000 0.207 120 K C 1.390 177.984 176.600 -0.010 0.000 1.035 120 K CA 0.183 56.464 56.287 -0.010 0.000 1.113 120 K CB 0.518 33.010 32.500 -0.013 0.000 0.846 120 K HN 1.377 nan 8.250 nan 0.000 0.491 121 G N 2.614 111.408 108.800 -0.009 0.000 2.741 121 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.222 121 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.222 121 G C -2.735 172.158 174.900 -0.011 0.000 1.364 121 G CA -1.165 43.929 45.100 -0.009 0.000 0.866 121 G HN 0.055 nan 8.290 nan 0.000 0.555 122 P HA 0.418 nan 4.420 nan 0.000 0.271 122 P C 0.408 177.695 177.300 -0.023 0.000 1.218 122 P CA -0.567 62.524 63.100 -0.015 0.000 0.780 122 P CB 0.434 32.126 31.700 -0.013 0.000 0.901 123 I N 2.433 122.986 120.570 -0.028 0.000 2.556 123 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 123 I C 0.323 176.410 176.117 -0.049 0.000 1.114 123 I CA 0.280 61.555 61.300 -0.042 0.000 1.418 123 I CB -0.246 37.724 38.000 -0.049 0.000 1.394 123 I HN 0.293 nan 8.210 nan 0.000 0.552 124 D N 5.719 126.082 120.400 -0.061 0.000 2.422 124 D HA 0.356 4.996 4.640 -0.000 0.000 0.227 124 D C 0.239 176.475 176.300 -0.106 0.000 1.190 124 D CA 0.027 53.986 54.000 -0.069 0.000 0.905 124 D CB 0.702 41.466 40.800 -0.061 0.000 1.034 124 D HN 0.576 nan 8.370 nan 0.000 0.507 125 A N 1.974 124.737 122.820 -0.096 0.000 2.320 125 A HA 0.536 4.856 4.320 -0.000 0.000 0.287 125 A C 1.379 178.894 177.584 -0.114 0.000 1.181 125 A CA -0.459 51.503 52.037 -0.125 0.000 0.831 125 A CB 0.879 19.828 19.000 -0.086 0.000 1.102 125 A HN 0.566 nan 8.150 nan 0.000 0.513 126 A N 2.343 125.057 122.820 -0.176 0.000 2.172 126 A HA 0.437 4.757 4.320 -0.000 0.000 0.216 126 A C 1.257 178.842 177.584 0.002 0.000 1.154 126 A CA 1.721 53.709 52.037 -0.082 0.000 0.701 126 A CB -0.457 18.481 19.000 -0.103 0.000 0.789 126 A HN 2.249 nan 8.150 nan 0.000 0.465 127 G N -1.769 107.016 108.800 -0.026 0.000 2.336 127 G HA2 0.471 4.431 3.960 -0.000 0.000 0.286 127 G HA3 0.471 4.431 3.960 -0.000 0.000 0.286 127 G C -1.335 173.565 174.900 0.001 0.000 1.269 127 G CA -0.982 44.127 45.100 0.014 0.000 0.873 127 G HN 0.259 nan 8.290 nan 0.000 0.494 128 R N -0.546 119.967 120.500 0.021 0.000 2.673 128 R HA 0.732 5.072 4.340 -0.000 0.000 0.281 128 R C -1.228 175.094 176.300 0.035 0.000 0.991 128 R CA -0.665 55.446 56.100 0.018 0.000 0.896 128 R CB 2.310 32.618 30.300 0.013 0.000 1.201 128 R HN 0.471 nan 8.270 nan 0.000 0.457 129 S N 1.351 117.074 115.700 0.039 0.000 2.526 129 S HA 0.435 4.905 4.470 -0.000 0.000 0.293 129 S C -0.427 174.196 174.600 0.039 0.000 1.092 129 S CA -0.814 57.414 58.200 0.046 0.000 0.980 129 S CB 1.993 65.232 63.200 0.064 0.000 1.048 129 S HN 0.396 nan 8.310 nan 0.000 0.483 130 R N 0.859 121.380 120.500 0.035 0.000 2.679 130 R HA 0.217 4.557 4.340 -0.000 0.000 0.268 130 R C 1.422 177.743 176.300 0.035 0.000 1.044 130 R CA 0.291 56.410 56.100 0.031 0.000 1.105 130 R CB 0.193 30.507 30.300 0.024 0.000 0.989 130 R HN 0.820 nan 8.270 nan 0.000 0.447 131 A N 2.703 125.540 122.820 0.028 0.000 1.972 131 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 131 A C 0.400 178.000 177.584 0.027 0.000 1.169 131 A CA 1.229 53.288 52.037 0.037 0.000 0.635 131 A CB 0.079 19.085 19.000 0.011 0.000 0.810 131 A HN 0.515 nan 8.150 nan 0.000 0.446 132 Q N -0.083 119.699 119.800 -0.030 0.000 2.278 132 Q HA 0.570 4.910 4.340 -0.000 0.000 0.257 132 Q C -1.260 174.742 176.000 0.003 0.000 0.928 132 Q CA -0.058 55.710 55.803 -0.058 0.000 0.932 132 Q CB 1.675 30.349 28.738 -0.105 0.000 1.221 132 Q HN 0.144 nan 8.270 nan 0.000 0.434 133 V N 2.534 122.465 119.914 0.028 0.000 2.851 133 V HA 0.249 4.369 4.120 -0.000 0.000 0.307 133 V C -0.183 175.934 176.094 0.038 0.000 1.129 133 V CA -1.233 61.088 62.300 0.034 0.000 0.932 133 V CB 2.294 34.143 31.823 0.044 0.000 1.024 133 V HN 0.598 nan 8.190 nan 0.000 0.426 134 K N 2.388 122.809 120.400 0.036 0.000 2.550 134 K HA 0.206 4.526 4.320 -0.000 0.000 0.280 134 K C 0.485 177.109 176.600 0.040 0.000 0.987 134 K CA 0.336 56.648 56.287 0.041 0.000 1.048 134 K CB 0.630 33.153 32.500 0.038 0.000 0.879 134 K HN 0.939 nan 8.250 nan 0.000 0.491 135 A N 5.602 128.448 122.820 0.044 0.000 2.407 135 A HA 0.252 4.572 4.320 -0.000 0.000 0.248 135 A C -1.976 175.628 177.584 0.033 0.000 1.082 135 A CA -1.156 50.904 52.037 0.039 0.000 0.785 135 A CB -0.372 18.652 19.000 0.041 0.000 1.020 135 A HN 0.397 nan 8.150 nan 0.000 0.489 136 P HA 0.121 nan 4.420 nan 0.000 0.261 136 P C 0.832 178.147 177.300 0.025 0.000 1.183 136 P CA 0.860 63.973 63.100 0.021 0.000 0.761 136 P CB 0.439 32.150 31.700 0.018 0.000 0.785 137 G N 2.796 111.610 108.800 0.023 0.000 2.447 137 G HA2 0.019 3.979 3.960 -0.000 0.000 0.269 137 G HA3 0.019 3.979 3.960 -0.000 0.000 0.269 137 G C 1.089 176.004 174.900 0.025 0.000 1.455 137 G CA -0.448 44.668 45.100 0.026 0.000 1.061 137 G HN 0.381 nan 8.290 nan 0.000 0.545 138 I N -0.703 119.881 120.570 0.024 0.000 2.439 138 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 138 I C 2.548 178.676 176.117 0.017 0.000 1.139 138 I CA 0.716 62.029 61.300 0.022 0.000 1.438 138 I CB -0.892 37.121 38.000 0.021 0.000 1.085 138 I HN 0.170 nan 8.210 nan 0.000 0.427 139 L N 1.867 123.099 121.223 0.014 0.000 2.102 139 L HA 0.070 4.410 4.340 -0.000 0.000 0.202 139 L C -0.875 176.000 176.870 0.008 0.000 1.076 139 L CA 1.843 56.689 54.840 0.010 0.000 0.761 139 L CB -1.784 40.280 42.059 0.008 0.000 0.921 139 L HN 0.128 nan 8.230 nan 0.000 0.444 140 P HA 0.140 nan 4.420 nan 0.000 0.228 140 P C -0.675 176.630 177.300 0.009 0.000 1.764 140 P CA 0.148 63.251 63.100 0.005 0.000 0.929 140 P CB -0.100 31.602 31.700 0.002 0.000 1.675 141 R N -0.098 120.411 120.500 0.014 0.000 2.750 141 R HA 0.578 4.918 4.340 -0.000 0.000 0.281 141 R C 0.031 176.344 176.300 0.023 0.000 0.972 141 R CA -0.853 55.260 56.100 0.021 0.000 0.912 141 R CB 2.546 32.860 30.300 0.024 0.000 1.187 141 R HN -0.005 nan 8.270 nan 0.000 0.464 142 R N 0.545 121.066 120.500 0.035 0.000 2.856 142 R HA 0.391 4.731 4.340 -0.000 0.000 0.258 142 R C -0.626 175.706 176.300 0.053 0.000 1.066 142 R CA -0.512 55.610 56.100 0.036 0.000 1.045 142 R CB 2.047 32.373 30.300 0.043 0.000 1.178 142 R HN 0.556 nan 8.270 nan 0.000 0.499 143 S N 0.856 116.583 115.700 0.044 0.000 2.531 143 S HA 0.084 4.553 4.470 -0.000 0.000 0.279 143 S C -0.112 174.564 174.600 0.125 0.000 1.305 143 S CA -0.470 57.765 58.200 0.059 0.000 1.058 143 S CB 0.682 63.902 63.200 0.033 0.000 0.899 143 S HN 0.336 nan 8.310 nan 0.000 0.493 144 V N 6.319 126.291 119.914 0.098 0.000 2.584 144 V HA -0.005 4.115 4.120 -0.000 0.000 0.303 144 V C 1.342 177.513 176.094 0.130 0.000 1.035 144 V CA 0.966 63.319 62.300 0.088 0.000 1.172 144 V CB -0.125 31.716 31.823 0.030 0.000 0.896 144 V HN 1.069 nan 8.190 nan 0.000 0.486 145 H N 1.802 120.858 119.070 -0.024 0.000 3.854 145 H HA 0.322 4.878 4.556 -0.000 0.000 0.264 145 H C 0.032 175.327 175.328 -0.055 0.000 1.170 145 H CA -0.401 55.628 56.048 -0.031 0.000 1.167 145 H CB 0.631 30.380 29.762 -0.021 0.000 1.558 145 H HN 0.625 nan 8.280 nan 0.000 0.751 146 E N 4.258 124.161 120.200 -0.495 0.000 2.183 146 E HA 0.363 4.713 4.350 -0.000 0.000 0.271 146 E C -2.703 173.725 176.600 -0.286 0.000 0.919 146 E CA -2.222 53.922 56.400 -0.427 0.000 0.781 146 E CB 2.344 31.713 29.700 -0.552 0.000 1.140 146 E HN 0.167 nan 8.360 nan 0.000 0.402 147 P HA 0.010 nan 4.420 nan 0.000 0.271 147 P C -0.482 176.659 177.300 -0.265 0.000 1.218 147 P CA -0.260 62.718 63.100 -0.203 0.000 0.780 147 P CB 0.798 32.397 31.700 -0.168 0.000 0.901 148 V N 4.351 124.146 119.914 -0.198 0.000 2.334 148 V HA 0.142 4.262 4.120 -0.000 0.000 0.267 148 V C 0.660 176.670 176.094 -0.140 0.000 1.040 148 V CA -0.175 62.004 62.300 -0.201 0.000 0.866 148 V CB 0.231 31.974 31.823 -0.134 0.000 1.019 148 V HN 0.474 nan 8.190 nan 0.000 0.468 149 Q N 2.347 122.050 119.800 -0.162 0.000 2.314 149 Q HA 0.219 4.559 4.340 -0.000 0.000 0.257 149 Q C 1.237 177.272 176.000 0.058 0.000 0.975 149 Q CA 0.033 55.827 55.803 -0.017 0.000 0.933 149 Q CB 1.273 30.057 28.738 0.077 0.000 1.195 149 Q HN 0.919 nan 8.270 nan 0.000 0.426 150 T N -0.944 113.637 114.554 0.044 0.000 3.067 150 T HA 0.164 4.514 4.350 -0.000 0.000 0.257 150 T C 1.392 176.131 174.700 0.064 0.000 1.105 150 T CA 0.598 62.726 62.100 0.047 0.000 1.104 150 T CB 0.140 69.023 68.868 0.026 0.000 0.925 150 T HN 0.852 nan 8.240 nan 0.000 0.498 151 G N 1.355 110.198 108.800 0.072 0.000 2.253 151 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.251 151 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.251 151 G C -0.018 174.907 174.900 0.041 0.000 0.998 151 G CA 0.157 45.292 45.100 0.059 0.000 0.621 151 G HN 0.642 nan 8.290 nan 0.000 0.524 152 L N 1.047 122.291 121.223 0.036 0.000 2.315 152 L HA 0.380 4.720 4.340 -0.000 0.000 0.283 152 L C 1.785 178.673 176.870 0.031 0.000 1.089 152 L CA -0.512 54.345 54.840 0.028 0.000 0.833 152 L CB 1.060 43.133 42.059 0.022 0.000 1.170 152 L HN 0.082 nan 8.230 nan 0.000 0.442 153 K N 2.611 123.031 120.400 0.032 0.000 2.034 153 K HA -0.267 4.053 4.320 -0.000 0.000 0.214 153 K C 2.048 178.669 176.600 0.034 0.000 1.051 153 K CA 1.978 58.287 56.287 0.037 0.000 0.931 153 K CB -0.141 32.383 32.500 0.040 0.000 0.715 153 K HN 0.834 nan 8.250 nan 0.000 0.446 154 A N 0.661 123.499 122.820 0.031 0.000 1.908 154 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 154 A C 2.338 179.942 177.584 0.034 0.000 1.181 154 A CA 1.889 53.946 52.037 0.033 0.000 0.627 154 A CB -0.642 18.377 19.000 0.032 0.000 0.818 154 A HN 0.118 nan 8.150 nan 0.000 0.445 155 V N 0.255 120.188 119.914 0.031 0.000 2.302 155 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 155 V C 2.136 178.246 176.094 0.026 0.000 1.036 155 V CA 1.955 64.273 62.300 0.029 0.000 1.020 155 V CB -0.974 30.864 31.823 0.025 0.000 0.657 155 V HN 0.428 nan 8.190 nan 0.000 0.453 156 D N 0.859 121.275 120.400 0.027 0.000 2.123 156 D HA -0.134 4.505 4.640 -0.000 0.000 0.196 156 D C 2.184 178.500 176.300 0.027 0.000 0.992 156 D CA 1.853 55.868 54.000 0.024 0.000 0.833 156 D CB -0.314 40.506 40.800 0.032 0.000 0.954 156 D HN 0.445 nan 8.370 nan 0.000 0.455 157 A N 0.018 122.858 122.820 0.033 0.000 1.897 157 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 157 A C 2.254 179.859 177.584 0.035 0.000 1.181 157 A CA 0.790 52.849 52.037 0.036 0.000 0.620 157 A CB -0.315 18.709 19.000 0.039 0.000 0.821 157 A HN 0.198 nan 8.150 nan 0.000 0.443 158 L N -1.065 120.180 121.223 0.036 0.000 2.575 158 L HA 0.154 4.494 4.340 -0.000 0.000 0.228 158 L C -0.308 176.582 176.870 0.034 0.000 1.075 158 L CA 0.285 55.148 54.840 0.038 0.000 0.867 158 L CB 0.911 42.996 42.059 0.043 0.000 1.097 158 L HN 0.116 nan 8.230 nan 0.000 0.485 159 V N 1.567 121.500 119.914 0.031 0.000 2.384 159 V HA 0.252 4.372 4.120 -0.000 0.000 0.257 159 V C -2.444 173.661 176.094 0.018 0.000 0.969 159 V CA -1.214 61.102 62.300 0.028 0.000 0.910 159 V CB 0.631 32.475 31.823 0.035 0.000 1.150 159 V HN 0.005 nan 8.190 nan 0.000 0.481 160 P HA 0.386 nan 4.420 nan 0.000 0.276 160 P C -0.457 176.838 177.300 -0.007 0.000 1.235 160 P CA 0.050 63.152 63.100 0.002 0.000 0.772 160 P CB 1.689 33.390 31.700 0.003 0.000 0.871 161 I N 2.268 122.826 120.570 -0.021 0.000 2.392 161 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 161 I C 1.135 177.219 176.117 -0.055 0.000 0.985 161 I CA -0.241 61.040 61.300 -0.031 0.000 1.221 161 I CB 1.728 39.708 38.000 -0.033 0.000 1.366 161 I HN 0.358 nan 8.210 nan 0.000 0.467 162 G N 4.642 113.411 108.800 -0.052 0.000 2.461 162 G HA2 0.549 4.508 3.960 -0.000 0.000 0.329 162 G HA3 0.549 4.508 3.960 -0.000 0.000 0.329 162 G C -0.622 174.227 174.900 -0.085 0.000 1.170 162 G CA -0.784 44.271 45.100 -0.075 0.000 0.935 162 G HN 0.496 nan 8.290 nan 0.000 0.492 163 R N -0.251 120.175 120.500 -0.124 0.000 2.267 163 R HA 0.442 4.781 4.340 -0.000 0.000 0.319 163 R C 1.166 177.443 176.300 -0.039 0.000 1.067 163 R CA 1.210 57.245 56.100 -0.108 0.000 0.936 163 R CB 0.927 31.113 30.300 -0.189 0.000 1.006 163 R HN 1.043 nan 8.270 nan 0.000 0.452 164 G N 1.765 110.559 108.800 -0.009 0.000 2.254 164 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.225 164 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.225 164 G C 0.331 175.234 174.900 0.005 0.000 1.003 164 G CA -0.036 45.072 45.100 0.013 0.000 0.622 164 G HN 0.582 nan 8.290 nan 0.000 0.507 165 Q N 0.374 120.169 119.800 -0.008 0.000 2.614 165 Q HA 0.465 4.805 4.340 -0.000 0.000 0.244 165 Q C 0.071 176.068 176.000 -0.005 0.000 1.097 165 Q CA 0.198 55.997 55.803 -0.006 0.000 0.986 165 Q CB 0.221 28.951 28.738 -0.014 0.000 1.308 165 Q HN 0.471 nan 8.270 nan 0.000 0.546 166 R N 1.965 122.463 120.500 -0.003 0.000 2.472 166 R HA 0.209 4.549 4.340 -0.000 0.000 0.294 166 R C -1.446 174.850 176.300 -0.006 0.000 1.243 166 R CA -0.482 55.615 56.100 -0.005 0.000 1.023 166 R CB 1.295 31.591 30.300 -0.006 0.000 1.157 166 R HN 0.421 nan 8.270 nan 0.000 0.530 167 E N 2.532 122.727 120.200 -0.008 0.000 2.197 167 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 167 E C -1.391 175.205 176.600 -0.007 0.000 0.995 167 E CA -0.849 55.549 56.400 -0.003 0.000 0.808 167 E CB 1.128 30.826 29.700 -0.003 0.000 1.093 167 E HN 0.331 nan 8.360 nan 0.000 0.394 168 L N 5.569 126.791 121.223 -0.002 0.000 2.282 168 L HA 0.514 4.854 4.340 -0.000 0.000 0.288 168 L C -0.984 175.883 176.870 -0.005 0.000 1.033 168 L CA -0.208 54.625 54.840 -0.012 0.000 0.807 168 L CB 0.759 42.807 42.059 -0.017 0.000 1.209 168 L HN 0.602 nan 8.230 nan 0.000 0.423 169 I N 6.789 127.345 120.570 -0.023 0.000 2.325 169 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 169 I C -0.261 175.814 176.117 -0.071 0.000 1.019 169 I CA -0.091 61.189 61.300 -0.034 0.000 1.302 169 I CB 1.062 39.044 38.000 -0.029 0.000 1.401 169 I HN 0.609 nan 8.210 nan 0.000 0.485 170 I N 5.229 125.729 120.570 -0.117 0.000 2.619 170 I HA 0.844 5.014 4.170 -0.000 0.000 0.292 170 I C -0.393 175.439 176.117 -0.473 0.000 1.100 170 I CA -0.014 61.157 61.300 -0.215 0.000 1.043 170 I CB 2.054 39.978 38.000 -0.125 0.000 1.239 170 I HN 0.705 nan 8.210 nan 0.000 0.420 171 G N 4.659 113.211 108.800 -0.414 0.000 2.328 171 G HA2 0.207 4.167 3.960 -0.000 0.000 0.295 171 G HA3 0.207 4.167 3.960 -0.000 0.000 0.295 171 G C -1.912 172.839 174.900 -0.249 0.000 1.413 171 G CA -0.761 44.057 45.100 -0.469 0.000 0.817 171 G HN 0.499 nan 8.290 nan 0.000 0.546 172 D N 0.188 120.469 120.400 -0.199 0.000 2.352 172 D HA 0.338 4.978 4.640 -0.000 0.000 0.238 172 D C 1.363 177.595 176.300 -0.112 0.000 1.286 172 D CA 0.015 53.947 54.000 -0.113 0.000 0.923 172 D CB 0.394 41.147 40.800 -0.078 0.000 1.146 172 D HN 0.657 nan 8.370 nan 0.000 0.471 173 R N 0.168 120.622 120.500 -0.076 0.000 2.756 173 R HA 0.032 4.371 4.340 -0.000 0.000 0.264 173 R C -0.039 176.192 176.300 -0.115 0.000 1.026 173 R CA -0.116 55.941 56.100 -0.072 0.000 1.121 173 R CB -0.141 30.136 30.300 -0.039 0.000 0.999 173 R HN 0.395 nan 8.270 nan 0.000 0.449 174 Q N -1.038 118.687 119.800 -0.125 0.000 2.480 174 Q HA -0.234 4.106 4.340 -0.000 0.000 0.265 174 Q C 0.547 176.324 176.000 -0.372 0.000 1.072 174 Q CA 1.377 57.064 55.803 -0.194 0.000 1.018 174 Q CB -1.716 26.932 28.738 -0.150 0.000 1.433 174 Q HN 1.002 nan 8.270 nan 0.000 0.513 175 T N -5.170 109.205 114.554 -0.300 0.000 3.044 175 T HA 0.353 4.703 4.350 -0.000 0.000 0.255 175 T C 1.321 175.905 174.700 -0.195 0.000 1.073 175 T CA 0.877 62.773 62.100 -0.340 0.000 1.125 175 T CB 0.886 69.625 68.868 -0.216 0.000 0.908 175 T HN 0.824 nan 8.240 nan 0.000 0.480 176 G N 0.969 109.703 108.800 -0.111 0.000 2.240 176 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.181 176 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.181 176 G C 0.658 175.557 174.900 -0.001 0.000 1.028 176 G CA 0.069 45.171 45.100 0.003 0.000 0.760 176 G HN 0.431 nan 8.290 nan 0.000 0.508 177 K N 0.020 120.402 120.400 -0.030 0.000 2.097 177 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 177 K C 2.435 179.046 176.600 0.019 0.000 1.049 177 K CA 1.831 58.105 56.287 -0.022 0.000 0.933 177 K CB -0.170 32.302 32.500 -0.046 0.000 0.717 177 K HN 0.279 nan 8.250 nan 0.000 0.442 178 T N 0.981 115.560 114.554 0.041 0.000 2.812 178 T HA -0.047 4.303 4.350 -0.000 0.000 0.264 178 T C 2.040 176.787 174.700 0.078 0.000 1.042 178 T CA 1.064 63.219 62.100 0.092 0.000 1.140 178 T CB -0.225 68.707 68.868 0.106 0.000 0.870 178 T HN 0.306 nan 8.240 nan 0.000 0.445 179 A N 1.293 124.143 122.820 0.051 0.000 1.927 179 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 179 A C 2.548 180.149 177.584 0.027 0.000 1.185 179 A CA 1.729 53.784 52.037 0.031 0.000 0.639 179 A CB -1.177 17.823 19.000 -0.001 0.000 0.820 179 A HN 0.366 nan 8.150 nan 0.000 0.451 180 V N -0.348 119.583 119.914 0.028 0.000 2.261 180 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 180 V C 3.060 179.176 176.094 0.036 0.000 1.047 180 V CA 2.024 64.339 62.300 0.025 0.000 1.015 180 V CB -1.419 30.416 31.823 0.019 0.000 0.642 180 V HN 0.649 nan 8.190 nan 0.000 0.446 181 A N -0.035 122.816 122.820 0.052 0.000 1.865 181 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 181 A C 2.189 179.820 177.584 0.078 0.000 1.191 181 A CA 2.236 54.317 52.037 0.073 0.000 0.623 181 A CB -0.767 18.306 19.000 0.121 0.000 0.826 181 A HN 0.443 nan 8.150 nan 0.000 0.444 182 L N -0.071 121.197 121.223 0.075 0.000 2.127 182 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 182 L C 1.408 178.302 176.870 0.039 0.000 1.089 182 L CA 2.418 57.282 54.840 0.039 0.000 0.757 182 L CB -0.563 41.521 42.059 0.041 0.000 0.899 182 L HN 0.341 nan 8.230 nan 0.000 0.434 183 D N -1.644 118.786 120.400 0.049 0.000 2.224 183 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 183 D C 2.050 178.376 176.300 0.043 0.000 0.965 183 D CA 1.330 55.354 54.000 0.040 0.000 0.852 183 D CB 0.028 40.845 40.800 0.029 0.000 0.947 183 D HN 0.355 nan 8.370 nan 0.000 0.494 184 T N 0.882 115.463 114.554 0.045 0.000 2.701 184 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 184 T C 2.222 176.961 174.700 0.064 0.000 1.040 184 T CA 0.552 62.680 62.100 0.046 0.000 1.147 184 T CB -0.160 68.726 68.868 0.029 0.000 0.865 184 T HN 0.132 nan 8.240 nan 0.000 0.426 185 I N 0.943 121.558 120.570 0.074 0.000 2.127 185 I HA -0.168 4.002 4.170 -0.000 0.000 0.241 185 I C 2.308 178.524 176.117 0.165 0.000 1.075 185 I CA 1.343 62.718 61.300 0.126 0.000 1.334 185 I CB -0.420 37.639 38.000 0.099 0.000 1.040 185 I HN 0.195 nan 8.210 nan 0.000 0.405 186 L N 0.334 121.599 121.223 0.070 0.000 2.265 186 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 186 L C 1.936 178.859 176.870 0.089 0.000 1.117 186 L CA 1.203 56.067 54.840 0.039 0.000 0.782 186 L CB -0.714 41.273 42.059 -0.120 0.000 0.914 186 L HN 0.357 nan 8.230 nan 0.000 0.441 187 N N -0.639 118.114 118.700 0.088 0.000 2.467 187 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 187 N C 1.683 177.265 175.510 0.120 0.000 1.106 187 N CA 0.358 53.459 53.050 0.085 0.000 0.892 187 N CB 0.239 38.788 38.487 0.103 0.000 0.969 187 N HN 0.170 nan 8.380 nan 0.000 0.454 188 Q N 0.296 120.169 119.800 0.120 0.000 2.436 188 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 188 Q C 1.311 177.264 176.000 -0.079 0.000 0.965 188 Q CA 0.526 56.360 55.803 0.052 0.000 0.910 188 Q CB -0.011 28.570 28.738 -0.261 0.000 0.980 188 Q HN 0.450 nan 8.270 nan 0.000 0.491 189 K N 0.778 121.184 120.400 0.009 0.000 2.127 189 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 189 K C 1.995 178.487 176.600 -0.180 0.000 1.047 189 K CA 1.216 57.513 56.287 0.017 0.000 0.927 189 K CB -0.165 32.372 32.500 0.062 0.000 0.716 189 K HN 0.208 nan 8.250 nan 0.000 0.450 190 R N -0.220 120.039 120.500 -0.402 0.000 2.140 190 R HA -0.199 4.141 4.340 -0.000 0.000 0.250 190 R C 1.990 177.771 176.300 -0.864 0.000 1.150 190 R CA 1.925 57.519 56.100 -0.845 0.000 0.966 190 R CB -0.261 29.076 30.300 -1.605 0.000 0.869 190 R HN 0.466 nan 8.270 nan 0.000 0.445 191 W N -0.680 120.535 121.300 -0.143 0.000 2.893 191 W HA 0.177 4.837 4.660 -0.000 0.000 0.253 191 W C 1.526 177.933 176.519 -0.186 0.000 1.171 191 W CA -0.566 56.685 57.345 -0.156 0.000 1.480 191 W CB -0.587 28.765 29.460 -0.180 0.000 0.963 191 W HN 0.052 nan 8.180 nan 0.000 0.637 192 N N 1.268 119.929 118.700 -0.065 0.000 2.272 192 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 192 N C 1.115 176.604 175.510 -0.034 0.000 1.014 192 N CA 1.062 53.996 53.050 -0.194 0.000 0.870 192 N CB -0.675 37.471 38.487 -0.569 0.000 0.975 192 N HN 0.144 nan 8.380 nan 0.000 0.433 193 N N 0.124 118.816 118.700 -0.014 0.000 2.446 193 N HA 0.017 4.757 4.740 -0.000 0.000 0.179 193 N C 1.106 176.617 175.510 0.002 0.000 1.054 193 N CA 0.254 53.311 53.050 0.011 0.000 0.905 193 N CB 0.118 38.602 38.487 -0.005 0.000 0.973 193 N HN 0.194 nan 8.380 nan 0.000 0.448 194 G N -0.422 108.375 108.800 -0.005 0.000 2.485 194 G HA2 0.190 4.150 3.960 -0.000 0.000 0.260 194 G HA3 0.190 4.150 3.960 -0.000 0.000 0.260 194 G C 0.774 175.697 174.900 0.038 0.000 1.459 194 G CA -0.135 44.972 45.100 0.011 0.000 1.060 194 G HN 0.117 nan 8.290 nan 0.000 0.546 195 S N -1.039 114.689 115.700 0.047 0.000 2.506 195 S HA 0.066 4.536 4.470 -0.000 0.000 0.230 195 S C 0.613 175.255 174.600 0.070 0.000 1.066 195 S CA 0.112 58.346 58.200 0.056 0.000 0.940 195 S CB 0.059 63.286 63.200 0.044 0.000 0.818 195 S HN 0.631 nan 8.310 nan 0.000 0.518 196 D N 2.331 122.774 120.400 0.072 0.000 2.342 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.260 196 D C 1.099 177.446 176.300 0.078 0.000 1.278 196 D CA 0.139 54.182 54.000 0.072 0.000 0.910 196 D CB 0.483 41.322 40.800 0.065 0.000 1.079 196 D HN -0.073 nan 8.370 nan 0.000 0.496 197 E N 1.774 122.032 120.200 0.096 0.000 2.033 197 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 197 E C 1.953 178.637 176.600 0.141 0.000 1.011 197 E CA 1.513 57.994 56.400 0.135 0.000 0.815 197 E CB -0.673 29.115 29.700 0.146 0.000 0.755 197 E HN 0.647 nan 8.360 nan 0.000 0.451 198 S N 0.342 116.117 115.700 0.124 0.000 2.462 198 S HA -0.156 4.314 4.470 -0.000 0.000 0.243 198 S C 1.604 176.186 174.600 -0.030 0.000 1.003 198 S CA 1.296 59.586 58.200 0.149 0.000 0.970 198 S CB -0.120 63.142 63.200 0.104 0.000 0.762 198 S HN 0.163 nan 8.310 nan 0.000 0.510 199 K N 0.327 120.689 120.400 -0.063 0.000 2.354 199 K HA 0.231 4.551 4.320 -0.000 0.000 0.194 199 K C 0.470 176.915 176.600 -0.258 0.000 1.038 199 K CA 0.027 56.180 56.287 -0.224 0.000 1.052 199 K CB 0.307 32.733 32.500 -0.123 0.000 0.861 199 K HN 0.384 nan 8.250 nan 0.000 0.535 200 K N 1.010 121.340 120.400 -0.116 0.000 2.120 200 K HA 0.290 4.610 4.320 -0.000 0.000 0.245 200 K C -0.715 175.700 176.600 -0.309 0.000 1.024 200 K CA -0.466 55.696 56.287 -0.209 0.000 0.906 200 K CB 0.630 32.969 32.500 -0.268 0.000 1.051 200 K HN -0.183 nan 8.250 nan 0.000 0.491 201 L N 1.876 122.797 121.223 -0.503 0.000 2.580 201 L HA 0.287 4.626 4.340 -0.000 0.000 0.266 201 L C -1.925 174.628 176.870 -0.527 0.000 0.955 201 L CA -0.284 54.320 54.840 -0.393 0.000 0.886 201 L CB 0.970 42.847 42.059 -0.303 0.000 1.263 201 L HN 0.470 nan 8.230 nan 0.000 0.406 202 Y N 3.260 123.386 120.300 -0.289 0.000 2.323 202 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 202 Y C 0.449 176.231 175.900 -0.196 0.000 1.092 202 Y CA -0.175 57.732 58.100 -0.323 0.000 1.150 202 Y CB 1.361 39.357 38.460 -0.775 0.000 1.200 202 Y HN 0.518 nan 8.280 nan 0.000 0.472 203 C N 3.278 122.658 119.300 0.133 0.000 2.350 203 C HA 0.681 5.141 4.460 -0.000 0.000 0.348 203 C C -0.234 174.810 174.990 0.089 0.000 1.260 203 C CA -0.893 58.194 59.018 0.114 0.000 1.966 203 C CB 0.148 28.016 27.740 0.212 0.000 2.380 203 C HN 0.571 nan 8.230 nan 0.000 0.535 204 V N 4.133 124.071 119.914 0.041 0.000 2.419 204 V HA 0.237 4.357 4.120 -0.000 0.000 0.287 204 V C -1.064 175.027 176.094 -0.005 0.000 1.017 204 V CA -0.539 61.778 62.300 0.029 0.000 0.844 204 V CB 0.966 32.788 31.823 -0.001 0.000 1.011 204 V HN 0.791 nan 8.190 nan 0.000 0.429 205 Y N 5.070 125.332 120.300 -0.063 0.000 2.417 205 Y HA 0.571 5.121 4.550 -0.000 0.000 0.336 205 Y C -0.014 175.857 175.900 -0.049 0.000 0.961 205 Y CA -0.620 57.439 58.100 -0.068 0.000 1.215 205 Y CB 1.451 39.888 38.460 -0.038 0.000 1.120 205 Y HN 0.450 nan 8.280 nan 0.000 0.499 206 V N 6.232 125.914 119.914 -0.387 0.000 2.339 206 V HA 0.482 4.602 4.120 -0.000 0.000 0.261 206 V C 0.348 176.277 176.094 -0.275 0.000 1.058 206 V CA -0.633 61.546 62.300 -0.203 0.000 0.897 206 V CB 0.152 31.936 31.823 -0.065 0.000 1.052 206 V HN 0.895 nan 8.190 nan 0.000 0.480 207 A N 5.441 128.216 122.820 -0.074 0.000 2.302 207 A HA 0.668 4.988 4.320 -0.000 0.000 0.295 207 A C -0.265 177.331 177.584 0.020 0.000 1.235 207 A CA -0.318 51.731 52.037 0.021 0.000 0.876 207 A CB 0.460 19.581 19.000 0.202 0.000 1.133 207 A HN 0.675 nan 8.150 nan 0.000 0.533 208 V N 2.501 122.420 119.914 0.008 0.000 2.334 208 V HA 0.594 4.714 4.120 -0.000 0.000 0.281 208 V C 1.059 177.179 176.094 0.043 0.000 1.016 208 V CA 0.372 62.687 62.300 0.025 0.000 0.832 208 V CB 0.721 32.554 31.823 0.016 0.000 0.999 208 V HN 1.758 nan 8.190 nan 0.000 0.439 209 G N 4.264 113.095 108.800 0.051 0.000 2.314 209 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.292 209 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.292 209 G C -0.093 174.838 174.900 0.052 0.000 1.059 209 G CA 0.140 45.273 45.100 0.054 0.000 0.982 209 G HN 0.697 nan 8.290 nan 0.000 0.505 210 Q N -0.608 119.225 119.800 0.055 0.000 2.274 210 Q HA 0.427 4.767 4.340 -0.000 0.000 0.260 210 Q C 0.451 176.480 176.000 0.049 0.000 0.974 210 Q CA -0.963 54.874 55.803 0.057 0.000 0.876 210 Q CB 1.782 30.566 28.738 0.078 0.000 1.297 210 Q HN 0.318 nan 8.270 nan 0.000 0.446 211 K N 1.950 122.375 120.400 0.042 0.000 2.477 211 K HA -0.161 4.159 4.320 -0.000 0.000 0.275 211 K C 0.754 177.375 176.600 0.034 0.000 1.054 211 K CA 0.471 56.779 56.287 0.035 0.000 1.135 211 K CB 0.379 32.897 32.500 0.031 0.000 0.854 211 K HN 0.540 nan 8.250 nan 0.000 0.484 212 R N 1.271 121.789 120.500 0.030 0.000 2.139 212 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 212 R C 2.197 178.509 176.300 0.020 0.000 1.145 212 R CA 2.036 58.152 56.100 0.026 0.000 0.976 212 R CB -0.132 30.181 30.300 0.021 0.000 0.866 212 R HN 0.757 nan 8.270 nan 0.000 0.449 213 S N -0.580 115.131 115.700 0.018 0.000 2.402 213 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 213 S C 1.876 176.484 174.600 0.013 0.000 1.021 213 S CA 1.482 59.690 58.200 0.013 0.000 0.974 213 S CB -0.275 62.933 63.200 0.014 0.000 0.800 213 S HN 0.179 nan 8.310 nan 0.000 0.484 214 T N 2.728 117.294 114.554 0.020 0.000 2.643 214 T HA -0.045 4.304 4.350 -0.000 0.000 0.264 214 T C 1.967 176.674 174.700 0.012 0.000 1.045 214 T CA 1.573 63.686 62.100 0.022 0.000 1.155 214 T CB -0.696 68.195 68.868 0.037 0.000 0.863 214 T HN 0.289 nan 8.240 nan 0.000 0.420 215 V N 2.178 122.106 119.914 0.023 0.000 2.231 215 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 215 V C 2.920 179.005 176.094 -0.014 0.000 1.054 215 V CA 1.923 64.233 62.300 0.016 0.000 1.015 215 V CB -1.534 30.315 31.823 0.043 0.000 0.638 215 V HN 0.572 nan 8.190 nan 0.000 0.444 216 A N -0.397 122.420 122.820 -0.006 0.000 1.923 216 A HA -0.440 3.880 4.320 -0.000 0.000 0.222 216 A C 2.198 179.765 177.584 -0.028 0.000 1.258 216 A CA 3.046 55.074 52.037 -0.015 0.000 0.670 216 A CB -0.802 18.194 19.000 -0.007 0.000 0.834 216 A HN 0.612 nan 8.150 nan 0.000 0.470 217 Q N -1.113 118.672 119.800 -0.024 0.000 2.167 217 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 217 Q C 1.819 177.785 176.000 -0.057 0.000 0.970 217 Q CA 1.536 57.321 55.803 -0.031 0.000 0.855 217 Q CB -0.351 28.380 28.738 -0.011 0.000 0.911 217 Q HN 0.622 nan 8.270 nan 0.000 0.438 218 L N -0.986 120.192 121.223 -0.075 0.000 2.109 218 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 218 L C 1.939 178.721 176.870 -0.147 0.000 1.086 218 L CA 1.074 55.832 54.840 -0.137 0.000 0.760 218 L CB -0.441 41.488 42.059 -0.217 0.000 0.910 218 L HN 0.100 nan 8.230 nan 0.000 0.437 219 V N -0.219 119.630 119.914 -0.108 0.000 2.233 219 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 219 V C 2.527 178.568 176.094 -0.087 0.000 1.050 219 V CA 2.204 64.448 62.300 -0.093 0.000 1.010 219 V CB -0.557 31.229 31.823 -0.061 0.000 0.637 219 V HN 0.598 nan 8.190 nan 0.000 0.444 220 Q N -1.169 118.588 119.800 -0.072 0.000 2.515 220 Q HA -0.182 4.158 4.340 -0.000 0.000 0.215 220 Q C 2.018 177.969 176.000 -0.082 0.000 0.983 220 Q CA 1.551 57.314 55.803 -0.068 0.000 0.905 220 Q CB 0.027 28.733 28.738 -0.053 0.000 0.961 220 Q HN 0.637 nan 8.270 nan 0.000 0.503 221 T N -0.364 114.131 114.554 -0.098 0.000 3.033 221 T HA 0.116 4.466 4.350 -0.000 0.000 0.248 221 T C 1.671 176.333 174.700 -0.063 0.000 1.040 221 T CA 0.008 62.040 62.100 -0.114 0.000 1.133 221 T CB 0.224 68.987 68.868 -0.175 0.000 0.895 221 T HN 0.188 nan 8.240 nan 0.000 0.465 222 L N 0.801 121.962 121.223 -0.103 0.000 2.156 222 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 222 L C 2.535 179.353 176.870 -0.086 0.000 1.095 222 L CA 1.191 55.969 54.840 -0.103 0.000 0.770 222 L CB -0.376 41.587 42.059 -0.159 0.000 0.914 222 L HN 0.279 nan 8.230 nan 0.000 0.439 223 E N -0.127 120.017 120.200 -0.092 0.000 2.150 223 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 223 E C 2.029 178.573 176.600 -0.094 0.000 0.985 223 E CA 0.745 57.090 56.400 -0.091 0.000 0.814 223 E CB 0.003 29.654 29.700 -0.081 0.000 0.752 223 E HN 0.541 nan 8.360 nan 0.000 0.466 224 Q N -0.487 119.253 119.800 -0.100 0.000 2.436 224 Q HA -0.096 4.244 4.340 -0.000 0.000 0.209 224 Q C 0.554 176.366 176.000 -0.313 0.000 0.965 224 Q CA 0.779 56.473 55.803 -0.183 0.000 0.910 224 Q CB 0.172 28.789 28.738 -0.202 0.000 0.980 224 Q HN 0.357 nan 8.270 nan 0.000 0.491 225 H N -1.310 117.678 119.070 -0.138 0.000 2.674 225 H HA 0.082 4.638 4.556 -0.000 0.000 0.274 225 H C -0.689 174.579 175.328 -0.101 0.000 1.121 225 H CA -0.164 55.817 56.048 -0.112 0.000 1.132 225 H CB 0.702 30.396 29.762 -0.114 0.000 1.606 225 H HN 0.056 nan 8.280 nan 0.000 0.558 226 D N 0.139 120.514 120.400 -0.042 0.000 2.708 226 D HA -0.209 4.431 4.640 -0.000 0.000 0.236 226 D C 0.990 177.194 176.300 -0.160 0.000 1.146 226 D CA 0.755 54.709 54.000 -0.078 0.000 0.662 226 D CB -0.948 39.827 40.800 -0.041 0.000 1.059 226 D HN 0.559 nan 8.370 nan 0.000 0.428 227 A N -0.537 122.131 122.820 -0.253 0.000 2.085 227 A HA 0.081 4.401 4.320 -0.000 0.000 0.208 227 A C 2.145 179.251 177.584 -0.797 0.000 1.191 227 A CA 0.665 52.323 52.037 -0.631 0.000 0.799 227 A CB -0.066 18.729 19.000 -0.342 0.000 0.877 227 A HN 0.282 nan 8.150 nan 0.000 0.473 228 M N 1.568 120.937 119.600 -0.386 0.000 2.103 228 M HA -0.259 4.221 4.480 -0.000 0.000 0.255 228 M C 2.077 178.231 176.300 -0.244 0.000 1.074 228 M CA 2.322 57.465 55.300 -0.262 0.000 1.090 228 M CB -1.059 31.450 32.600 -0.151 0.000 1.325 228 M HN 0.694 nan 8.290 nan 0.000 0.403 229 K N 0.065 120.329 120.400 -0.227 0.000 2.444 229 K HA -0.200 4.120 4.320 -0.000 0.000 0.200 229 K C 0.626 177.248 176.600 0.037 0.000 1.045 229 K CA 1.770 58.008 56.287 -0.082 0.000 0.934 229 K CB -0.718 31.767 32.500 -0.025 0.000 0.756 229 K HN 0.601 nan 8.250 nan 0.000 0.477 230 Y N -1.518 118.823 120.300 0.067 0.000 2.768 230 Y HA 0.525 5.075 4.550 -0.000 0.000 0.249 230 Y C -0.581 175.378 175.900 0.098 0.000 1.146 230 Y CA -1.371 56.801 58.100 0.120 0.000 1.171 230 Y CB 0.135 38.614 38.460 0.031 0.000 1.249 230 Y HN -0.095 nan 8.280 nan 0.000 0.567 231 S N 1.324 117.088 115.700 0.106 0.000 2.566 231 S HA 0.796 5.266 4.470 -0.000 0.000 0.298 231 S C -0.805 173.841 174.600 0.076 0.000 1.083 231 S CA -0.688 57.569 58.200 0.095 0.000 0.978 231 S CB 1.950 65.131 63.200 -0.033 0.000 1.073 231 S HN 0.264 nan 8.310 nan 0.000 0.491 232 I N 2.459 123.082 120.570 0.089 0.000 2.533 232 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 232 I C -1.160 175.008 176.117 0.085 0.000 1.056 232 I CA -0.694 60.651 61.300 0.075 0.000 1.057 232 I CB 1.626 39.679 38.000 0.089 0.000 1.240 232 I HN 0.379 nan 8.210 nan 0.000 0.423 233 I N 6.705 127.318 120.570 0.071 0.000 2.330 233 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 233 I C -0.096 176.063 176.117 0.070 0.000 1.001 233 I CA -0.743 60.618 61.300 0.103 0.000 1.193 233 I CB 1.431 39.479 38.000 0.080 0.000 1.345 233 I HN 0.148 nan 8.210 nan 0.000 0.461 234 V N 5.866 125.821 119.914 0.067 0.000 2.364 234 V HA 0.585 4.705 4.120 -0.000 0.000 0.272 234 V C 0.587 176.708 176.094 0.046 0.000 1.036 234 V CA -0.499 61.824 62.300 0.039 0.000 0.880 234 V CB 1.385 33.222 31.823 0.023 0.000 0.991 234 V HN 0.865 nan 8.190 nan 0.000 0.460 235 A N 4.493 127.335 122.820 0.037 0.000 2.287 235 A HA 0.843 5.163 4.320 -0.000 0.000 0.317 235 A C 0.192 177.792 177.584 0.026 0.000 1.220 235 A CA -0.248 51.815 52.037 0.043 0.000 0.835 235 A CB 1.169 20.195 19.000 0.043 0.000 1.180 235 A HN 1.269 nan 8.150 nan 0.000 0.500 236 A N 3.160 125.999 122.820 0.032 0.000 3.159 236 A HA 0.573 4.893 4.320 -0.000 0.000 0.330 236 A C 0.486 178.095 177.584 0.040 0.000 1.032 236 A CA 0.086 52.140 52.037 0.028 0.000 0.841 236 A CB -0.597 18.419 19.000 0.027 0.000 1.093 236 A HN 1.269 nan 8.150 nan 0.000 0.478 237 T N -1.618 112.959 114.554 0.039 0.000 2.856 237 T HA 0.446 4.796 4.350 -0.000 0.000 0.306 237 T C 1.644 176.371 174.700 0.044 0.000 1.062 237 T CA 0.104 62.229 62.100 0.043 0.000 1.083 237 T CB 1.084 69.975 68.868 0.037 0.000 0.984 237 T HN 1.330 nan 8.240 nan 0.000 0.542 238 A N 1.739 124.585 122.820 0.044 0.000 1.984 238 A HA -0.214 4.106 4.320 -0.000 0.000 0.224 238 A C 2.439 180.049 177.584 0.043 0.000 1.256 238 A CA 2.839 54.902 52.037 0.043 0.000 0.679 238 A CB -1.508 17.515 19.000 0.038 0.000 0.829 238 A HN 1.470 nan 8.150 nan 0.000 0.483 239 S N -0.784 114.940 115.700 0.039 0.000 2.597 239 S HA 0.215 4.685 4.470 -0.000 0.000 0.224 239 S C 0.183 174.807 174.600 0.041 0.000 0.955 239 S CA -0.228 57.994 58.200 0.036 0.000 0.933 239 S CB -0.111 63.107 63.200 0.030 0.000 0.788 239 S HN 0.607 nan 8.310 nan 0.000 0.488 240 E N 1.263 121.492 120.200 0.047 0.000 2.227 240 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 240 E C -0.077 176.567 176.600 0.073 0.000 0.990 240 E CA -0.826 55.606 56.400 0.053 0.000 0.856 240 E CB 1.453 31.178 29.700 0.042 0.000 1.159 240 E HN 0.402 nan 8.360 nan 0.000 0.401 241 A N 1.214 124.089 122.820 0.092 0.000 2.587 241 A HA 0.115 4.435 4.320 -0.000 0.000 0.233 241 A C 1.248 178.920 177.584 0.147 0.000 1.049 241 A CA 0.808 52.921 52.037 0.126 0.000 0.754 241 A CB 0.122 19.235 19.000 0.187 0.000 0.977 241 A HN 0.806 nan 8.150 nan 0.000 0.509 242 A N 3.777 126.683 122.820 0.144 0.000 1.940 242 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 242 A C -0.077 177.653 177.584 0.243 0.000 1.176 242 A CA 1.992 54.127 52.037 0.164 0.000 0.631 242 A CB -1.566 17.509 19.000 0.126 0.000 0.814 242 A HN 0.651 nan 8.150 nan 0.000 0.446 243 P HA -0.171 nan 4.420 nan 0.000 0.216 243 P C 1.418 178.931 177.300 0.354 0.000 1.153 243 P CA 1.008 64.365 63.100 0.428 0.000 0.858 243 P CB -0.188 31.876 31.700 0.606 0.000 0.789 244 L N -0.765 120.564 121.223 0.176 0.000 2.046 244 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 244 L C 2.590 179.502 176.870 0.070 0.000 1.077 244 L CA 1.530 56.378 54.840 0.012 0.000 0.747 244 L CB -1.240 40.789 42.059 -0.050 0.000 0.896 244 L HN 0.057 nan 8.230 nan 0.000 0.432 245 Q N -0.762 119.113 119.800 0.125 0.000 2.167 245 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 245 Q C 2.107 178.212 176.000 0.174 0.000 0.970 245 Q CA 1.641 57.520 55.803 0.126 0.000 0.855 245 Q CB -0.413 28.404 28.738 0.133 0.000 0.911 245 Q HN 0.572 nan 8.270 nan 0.000 0.438 246 Y N 0.995 121.377 120.300 0.137 0.000 2.263 246 Y HA -0.064 4.485 4.550 -0.000 0.000 0.292 246 Y C 1.716 177.746 175.900 0.217 0.000 1.130 246 Y CA 0.903 59.111 58.100 0.181 0.000 1.179 246 Y CB -0.112 38.485 38.460 0.227 0.000 0.998 246 Y HN -0.040 nan 8.280 nan 0.000 0.532 247 L N -0.476 120.682 121.223 -0.109 0.000 2.168 247 L HA 0.040 4.380 4.340 -0.000 0.000 0.203 247 L C 2.772 179.624 176.870 -0.030 0.000 1.078 247 L CA 0.847 55.593 54.840 -0.158 0.000 0.780 247 L CB -0.817 41.222 42.059 -0.034 0.000 0.939 247 L HN 0.306 nan 8.230 nan 0.000 0.451 248 A N 1.161 123.964 122.820 -0.028 0.000 1.909 248 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 248 A C -0.275 177.292 177.584 -0.028 0.000 1.223 248 A CA 2.503 54.528 52.037 -0.020 0.000 0.658 248 A CB -2.051 16.944 19.000 -0.009 0.000 0.831 248 A HN 0.308 nan 8.150 nan 0.000 0.462 249 P HA -0.065 nan 4.420 nan 0.000 0.217 249 P C 1.043 178.183 177.300 -0.266 0.000 1.151 249 P CA 0.998 63.981 63.100 -0.195 0.000 0.828 249 P CB -0.173 31.188 31.700 -0.566 0.000 0.788 250 F N -0.930 118.928 119.950 -0.152 0.000 2.113 250 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 250 F C 2.531 178.297 175.800 -0.056 0.000 1.103 250 F CA 1.419 59.344 58.000 -0.126 0.000 1.248 250 F CB -1.875 36.999 39.000 -0.209 0.000 0.999 250 F HN -0.130 nan 8.300 nan 0.000 0.475 251 T N -0.057 114.570 114.554 0.122 0.000 2.624 251 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 251 T C 2.202 176.938 174.700 0.060 0.000 1.041 251 T CA 1.809 63.947 62.100 0.064 0.000 1.159 251 T CB -0.571 68.311 68.868 0.023 0.000 0.863 251 T HN 0.314 nan 8.240 nan 0.000 0.434 252 A N 0.769 123.623 122.820 0.056 0.000 1.929 252 A HA 0.310 4.629 4.320 -0.000 0.000 0.216 252 A C 2.631 180.267 177.584 0.086 0.000 1.176 252 A CA 1.718 53.793 52.037 0.062 0.000 0.628 252 A CB -1.054 17.974 19.000 0.047 0.000 0.816 252 A HN 0.543 nan 8.150 nan 0.000 0.444 253 A N -0.178 122.705 122.820 0.105 0.000 1.903 253 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 253 A C 2.428 180.080 177.584 0.112 0.000 1.191 253 A CA 2.414 54.520 52.037 0.115 0.000 0.638 253 A CB -0.989 18.062 19.000 0.085 0.000 0.823 253 A HN 0.455 nan 8.150 nan 0.000 0.451 254 S N -0.709 115.055 115.700 0.107 0.000 2.428 254 S HA -0.007 4.463 4.470 -0.000 0.000 0.230 254 S C 1.729 176.404 174.600 0.125 0.000 1.014 254 S CA 1.089 59.352 58.200 0.106 0.000 0.957 254 S CB -0.436 62.817 63.200 0.088 0.000 0.784 254 S HN 0.534 nan 8.310 nan 0.000 0.499 255 I N 1.406 122.046 120.570 0.116 0.000 2.226 255 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 255 I C 2.662 178.936 176.117 0.261 0.000 1.100 255 I CA 1.187 62.567 61.300 0.133 0.000 1.374 255 I CB -0.768 37.289 38.000 0.095 0.000 1.057 255 I HN 0.359 nan 8.210 nan 0.000 0.413 256 G N 0.273 109.218 108.800 0.243 0.000 2.433 256 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 256 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 256 G C 1.490 176.579 174.900 0.315 0.000 1.186 256 G CA 0.595 45.877 45.100 0.303 0.000 0.779 256 G HN 0.398 nan 8.290 nan 0.000 0.543 257 E N -0.629 119.689 120.200 0.196 0.000 2.171 257 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 257 E C 1.920 178.584 176.600 0.106 0.000 0.997 257 E CA 0.798 57.275 56.400 0.128 0.000 0.810 257 E CB -0.235 29.517 29.700 0.086 0.000 0.738 257 E HN 0.658 nan 8.360 nan 0.000 0.467 258 W N 0.828 122.104 121.300 -0.039 0.000 2.301 258 W HA -0.307 4.353 4.660 -0.000 0.000 0.325 258 W C 1.671 178.060 176.519 -0.217 0.000 1.250 258 W CA 1.958 59.194 57.345 -0.182 0.000 1.261 258 W CB -0.531 28.726 29.460 -0.338 0.000 1.157 258 W HN 0.003 nan 8.180 nan 0.000 0.473 259 F N 0.098 120.193 119.950 0.242 0.000 2.102 259 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 259 F C 2.773 178.485 175.800 -0.147 0.000 1.105 259 F CA 2.277 60.301 58.000 0.040 0.000 1.239 259 F CB -1.347 37.745 39.000 0.154 0.000 0.991 259 F HN -0.168 nan 8.300 nan 0.000 0.474 260 R N 0.784 121.348 120.500 0.108 0.000 2.097 260 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 260 R C 1.741 177.968 176.300 -0.122 0.000 1.135 260 R CA 2.264 58.353 56.100 -0.018 0.000 0.934 260 R CB -0.568 29.744 30.300 0.021 0.000 0.846 260 R HN 0.206 nan 8.270 nan 0.000 0.431 261 D N 0.111 120.414 120.400 -0.161 0.000 2.263 261 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 261 D C 0.522 176.636 176.300 -0.309 0.000 0.971 261 D CA 0.865 54.737 54.000 -0.213 0.000 0.867 261 D CB -0.254 40.414 40.800 -0.218 0.000 0.929 261 D HN 0.272 nan 8.370 nan 0.000 0.492 262 N N -0.082 118.353 118.700 -0.442 0.000 2.376 262 N HA 0.160 4.900 4.740 -0.000 0.000 0.249 262 N C 0.997 176.324 175.510 -0.304 0.000 1.140 262 N CA 0.273 53.021 53.050 -0.504 0.000 0.870 262 N CB 1.162 39.046 38.487 -1.006 0.000 1.124 262 N HN 0.144 nan 8.380 nan 0.000 0.505 263 G N 0.890 109.556 108.800 -0.224 0.000 2.175 263 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.265 263 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.265 263 G C 0.424 175.202 174.900 -0.203 0.000 0.979 263 G CA 0.894 45.889 45.100 -0.175 0.000 0.663 263 G HN 0.355 nan 8.290 nan 0.000 0.533 264 K N -0.537 119.756 120.400 -0.179 0.000 2.526 264 K HA 0.739 5.059 4.320 -0.000 0.000 0.256 264 K C 0.039 176.446 176.600 -0.322 0.000 1.035 264 K CA -0.789 55.452 56.287 -0.076 0.000 1.011 264 K CB 0.673 33.341 32.500 0.279 0.000 1.343 264 K HN 0.361 nan 8.250 nan 0.000 0.510 265 H N -0.625 118.564 119.070 0.198 0.000 2.840 265 H HA 0.498 5.054 4.556 -0.000 0.000 0.340 265 H C -1.118 174.248 175.328 0.064 0.000 1.004 265 H CA -0.775 55.325 56.048 0.086 0.000 1.288 265 H CB 1.842 31.589 29.762 -0.025 0.000 1.607 265 H HN 0.666 nan 8.280 nan 0.000 0.522 266 A N 2.782 125.677 122.820 0.125 0.000 2.344 266 A HA 0.749 5.069 4.320 -0.000 0.000 0.307 266 A C -1.135 176.454 177.584 0.008 0.000 1.151 266 A CA -0.719 51.324 52.037 0.011 0.000 0.842 266 A CB 1.932 20.915 19.000 -0.028 0.000 1.350 266 A HN 0.497 nan 8.150 nan 0.000 0.459 267 L N -0.050 121.152 121.223 -0.034 0.000 2.445 267 L HA 0.852 5.192 4.340 -0.000 0.000 0.262 267 L C -1.422 175.395 176.870 -0.089 0.000 0.974 267 L CA -0.346 54.460 54.840 -0.057 0.000 0.822 267 L CB 1.766 43.789 42.059 -0.061 0.000 1.339 267 L HN 0.742 nan 8.230 nan 0.000 0.409 268 I N 4.296 124.765 120.570 -0.168 0.000 2.534 268 I HA 0.582 4.752 4.170 -0.000 0.000 0.288 268 I C -1.474 174.338 176.117 -0.508 0.000 1.077 268 I CA -0.703 60.401 61.300 -0.326 0.000 1.051 268 I CB 2.067 39.837 38.000 -0.382 0.000 1.234 268 I HN 0.486 nan 8.210 nan 0.000 0.425 269 V N 7.967 127.602 119.914 -0.466 0.000 2.370 269 V HA 0.332 4.452 4.120 -0.000 0.000 0.283 269 V C -1.092 174.642 176.094 -0.601 0.000 1.023 269 V CA -0.400 61.648 62.300 -0.420 0.000 0.857 269 V CB 1.223 32.939 31.823 -0.178 0.000 0.985 269 V HN 0.463 nan 8.190 nan 0.000 0.443 270 Y N 2.511 122.649 120.300 -0.271 0.000 2.491 270 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 270 Y C 0.297 176.026 175.900 -0.285 0.000 0.969 270 Y CA -1.092 56.832 58.100 -0.293 0.000 1.241 270 Y CB 0.967 39.275 38.460 -0.254 0.000 1.105 270 Y HN 0.532 nan 8.280 nan 0.000 0.503 271 D N 4.206 124.475 120.400 -0.218 0.000 2.432 271 D HA 0.146 4.786 4.640 -0.000 0.000 0.265 271 D C -1.112 175.139 176.300 -0.082 0.000 1.160 271 D CA -0.127 53.769 54.000 -0.174 0.000 0.911 271 D CB 0.374 41.010 40.800 -0.273 0.000 1.052 271 D HN 0.732 nan 8.370 nan 0.000 0.508 272 D N 1.103 121.481 120.400 -0.037 0.000 2.592 272 D HA 0.151 4.791 4.640 -0.000 0.000 0.263 272 D C 0.984 177.253 176.300 -0.051 0.000 1.132 272 D CA -0.625 53.348 54.000 -0.045 0.000 0.996 272 D CB 1.363 42.143 40.800 -0.034 0.000 1.442 272 D HN 0.097 nan 8.370 nan 0.000 0.486 273 L N 0.222 121.380 121.223 -0.108 0.000 2.179 273 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 273 L C 2.456 179.318 176.870 -0.013 0.000 1.096 273 L CA 0.733 55.473 54.840 -0.166 0.000 0.779 273 L CB -0.411 41.353 42.059 -0.491 0.000 0.922 273 L HN 0.393 nan 8.230 nan 0.000 0.443 274 S N 0.499 116.191 115.700 -0.012 0.000 2.368 274 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 274 S C 1.886 176.553 174.600 0.112 0.000 1.044 274 S CA 1.609 59.842 58.200 0.054 0.000 1.062 274 S CB -0.237 62.985 63.200 0.036 0.000 0.931 274 S HN 0.419 nan 8.310 nan 0.000 0.440 275 K N 0.745 121.195 120.400 0.084 0.000 2.217 275 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 275 K C 2.483 179.165 176.600 0.137 0.000 1.051 275 K CA 0.542 56.891 56.287 0.104 0.000 0.952 275 K CB -0.124 32.419 32.500 0.071 0.000 0.736 275 K HN 0.339 nan 8.250 nan 0.000 0.453 276 Q N 0.768 120.645 119.800 0.128 0.000 2.050 276 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 276 Q C 2.128 178.276 176.000 0.247 0.000 0.980 276 Q CA 1.664 57.568 55.803 0.167 0.000 0.840 276 Q CB -0.092 28.713 28.738 0.110 0.000 0.898 276 Q HN 0.324 nan 8.270 nan 0.000 0.424 277 A N 0.071 123.041 122.820 0.249 0.000 1.883 277 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 277 A C 2.269 180.143 177.584 0.483 0.000 1.186 277 A CA 1.661 53.875 52.037 0.295 0.000 0.624 277 A CB -0.927 18.167 19.000 0.157 0.000 0.822 277 A HN 0.296 nan 8.150 nan 0.000 0.444 278 V N -0.186 119.956 119.914 0.380 0.000 2.324 278 V HA -0.319 3.800 4.120 -0.000 0.000 0.250 278 V C 3.036 179.255 176.094 0.208 0.000 1.060 278 V CA 2.174 64.637 62.300 0.272 0.000 1.042 278 V CB -1.226 30.706 31.823 0.182 0.000 0.650 278 V HN 0.662 nan 8.190 nan 0.000 0.450 279 A N -1.062 121.896 122.820 0.231 0.000 1.855 279 A HA -0.262 4.057 4.320 -0.000 0.000 0.215 279 A C 2.168 179.901 177.584 0.249 0.000 1.191 279 A CA 1.972 54.141 52.037 0.219 0.000 0.613 279 A CB -0.920 18.228 19.000 0.248 0.000 0.829 279 A HN 0.565 nan 8.150 nan 0.000 0.442 280 Y N 0.706 121.110 120.300 0.174 0.000 2.139 280 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 280 Y C 2.509 178.441 175.900 0.055 0.000 1.179 280 Y CA 2.195 60.348 58.100 0.089 0.000 1.161 280 Y CB -0.561 37.995 38.460 0.160 0.000 0.970 280 Y HN 0.366 nan 8.280 nan 0.000 0.511 281 R N -0.059 120.512 120.500 0.119 0.000 2.083 281 R HA -0.261 4.079 4.340 -0.000 0.000 0.237 281 R C 2.509 178.740 176.300 -0.115 0.000 1.137 281 R CA 2.040 58.101 56.100 -0.065 0.000 0.951 281 R CB -0.461 29.751 30.300 -0.146 0.000 0.851 281 R HN 0.542 nan 8.270 nan 0.000 0.434 282 Q N 0.298 120.072 119.800 -0.042 0.000 2.096 282 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 282 Q C 2.159 178.117 176.000 -0.070 0.000 0.982 282 Q CA 1.842 57.621 55.803 -0.041 0.000 0.850 282 Q CB -0.089 28.654 28.738 0.009 0.000 0.901 282 Q HN 0.433 nan 8.270 nan 0.000 0.422 283 L N -0.238 120.931 121.223 -0.090 0.000 2.046 283 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 283 L C 2.571 179.337 176.870 -0.173 0.000 1.077 283 L CA 1.194 55.962 54.840 -0.121 0.000 0.747 283 L CB -0.371 41.593 42.059 -0.159 0.000 0.896 283 L HN 0.163 nan 8.230 nan 0.000 0.432 284 S N 0.005 115.545 115.700 -0.266 0.000 2.345 284 S HA -0.068 4.401 4.470 -0.000 0.000 0.219 284 S C 1.984 176.489 174.600 -0.159 0.000 1.031 284 S CA 0.997 59.035 58.200 -0.269 0.000 0.984 284 S CB -0.303 62.666 63.200 -0.385 0.000 0.874 284 S HN 0.248 nan 8.310 nan 0.000 0.451 285 L N 1.292 122.431 121.223 -0.141 0.000 2.013 285 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 285 L C 2.329 179.152 176.870 -0.077 0.000 1.073 285 L CA 1.230 56.011 54.840 -0.100 0.000 0.753 285 L CB -0.764 41.237 42.059 -0.097 0.000 0.890 285 L HN 0.287 nan 8.230 nan 0.000 0.432 286 L N -0.562 120.617 121.223 -0.075 0.000 2.017 286 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 286 L C 2.410 179.249 176.870 -0.051 0.000 1.073 286 L CA 1.124 55.932 54.840 -0.054 0.000 0.745 286 L CB -0.447 41.585 42.059 -0.045 0.000 0.894 286 L HN 0.253 nan 8.230 nan 0.000 0.432 287 L N -0.289 120.895 121.223 -0.064 0.000 2.549 287 L HA -0.122 4.218 4.340 -0.000 0.000 0.230 287 L C 0.837 177.676 176.870 -0.051 0.000 1.162 287 L CA 0.471 55.277 54.840 -0.056 0.000 0.834 287 L CB -0.417 41.599 42.059 -0.071 0.000 0.947 287 L HN 0.316 nan 8.230 nan 0.000 0.452 288 R N -0.493 119.974 120.500 -0.055 0.000 3.651 288 R HA -0.172 4.168 4.340 -0.000 0.000 0.292 288 R C -0.024 176.248 176.300 -0.046 0.000 1.161 288 R CA 0.380 56.452 56.100 -0.046 0.000 0.787 288 R CB -1.799 28.482 30.300 -0.032 0.000 1.249 288 R HN 0.396 nan 8.270 nan 0.000 0.476 289 R N 1.833 122.297 120.500 -0.061 0.000 2.590 289 R HA 0.102 4.442 4.340 -0.000 0.000 0.274 289 R C -1.774 174.497 176.300 -0.049 0.000 1.061 289 R CA -1.187 54.880 56.100 -0.055 0.000 1.081 289 R CB 0.141 30.394 30.300 -0.078 0.000 0.984 289 R HN -0.008 nan 8.270 nan 0.000 0.448 290 P HA 0.081 nan 4.420 nan 0.000 0.267 290 P C -2.439 174.851 177.300 -0.016 0.000 1.205 290 P CA -0.997 62.090 63.100 -0.021 0.000 0.765 290 P CB 0.365 32.059 31.700 -0.011 0.000 0.828 291 P HA 0.410 nan 4.420 nan 0.000 0.287 291 P C -0.040 177.257 177.300 -0.006 0.000 1.270 291 P CA -0.209 62.881 63.100 -0.016 0.000 0.844 291 P CB 1.919 33.595 31.700 -0.041 0.000 1.068 292 G N 1.105 109.912 108.800 0.011 0.000 3.135 292 G HA2 0.405 4.364 3.960 -0.000 0.000 0.159 292 G HA3 0.405 4.364 3.960 -0.000 0.000 0.159 292 G C -0.529 174.340 174.900 -0.053 0.000 1.244 292 G CA -0.907 44.181 45.100 -0.019 0.000 0.965 292 G HN 0.575 nan 8.290 nan 0.000 0.599 293 R N 0.616 121.023 120.500 -0.155 0.000 2.486 293 R HA 0.019 4.359 4.340 -0.000 0.000 0.304 293 R C 0.454 176.728 176.300 -0.044 0.000 0.913 293 R CA 1.470 57.436 56.100 -0.223 0.000 1.124 293 R CB -0.737 29.196 30.300 -0.612 0.000 0.891 293 R HN 0.719 nan 8.270 nan 0.000 0.410 294 E N 2.910 123.118 120.200 0.014 0.000 3.065 294 E HA -0.353 3.997 4.350 -0.000 0.000 0.277 294 E C 0.225 176.770 176.600 -0.092 0.000 1.008 294 E CA 0.682 57.117 56.400 0.059 0.000 0.864 294 E CB -1.315 28.553 29.700 0.280 0.000 1.439 294 E HN 0.950 nan 8.360 nan 0.000 0.445 295 A N -2.338 120.437 122.820 -0.075 0.000 3.080 295 A HA -0.275 4.045 4.320 -0.000 0.000 0.254 295 A C -0.082 177.397 177.584 -0.175 0.000 1.277 295 A CA 1.490 53.447 52.037 -0.133 0.000 1.065 295 A CB -2.173 16.725 19.000 -0.170 0.000 1.160 295 A HN 0.387 nan 8.150 nan 0.000 0.886 296 Y N 0.740 121.083 120.300 0.071 0.000 2.304 296 Y HA 0.470 5.020 4.550 -0.000 0.000 0.327 296 Y C -1.215 174.740 175.900 0.092 0.000 1.209 296 Y CA -1.375 56.800 58.100 0.126 0.000 1.299 296 Y CB 0.314 38.955 38.460 0.300 0.000 1.249 296 Y HN 0.245 nan 8.280 nan 0.000 0.519 297 P HA -0.007 nan 4.420 nan 0.000 0.272 297 P C 0.628 178.074 177.300 0.244 0.000 1.230 297 P CA 0.194 63.383 63.100 0.148 0.000 0.788 297 P CB 0.910 32.635 31.700 0.042 0.000 0.949 298 G N 1.936 110.844 108.800 0.180 0.000 2.469 298 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 298 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 298 G C 0.674 175.730 174.900 0.260 0.000 1.150 298 G CA 0.875 46.088 45.100 0.188 0.000 0.763 298 G HN 0.640 nan 8.290 nan 0.000 0.561 299 D N 0.708 121.285 120.400 0.295 0.000 2.400 299 D HA 0.074 4.714 4.640 -0.000 0.000 0.243 299 D C 1.764 178.312 176.300 0.414 0.000 1.184 299 D CA -0.210 54.020 54.000 0.383 0.000 0.853 299 D CB 0.192 41.243 40.800 0.418 0.000 0.944 299 D HN 0.168 nan 8.370 nan 0.000 0.501 300 V N -0.465 119.678 119.914 0.383 0.000 2.548 300 V HA -0.133 3.987 4.120 -0.000 0.000 0.249 300 V C 1.749 177.864 176.094 0.034 0.000 1.055 300 V CA 1.090 63.522 62.300 0.220 0.000 1.065 300 V CB -0.635 31.322 31.823 0.223 0.000 0.681 300 V HN 0.202 nan 8.190 nan 0.000 0.462 301 F N 0.277 120.246 119.950 0.032 0.000 2.026 301 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 301 F C 2.256 178.104 175.800 0.081 0.000 1.133 301 F CA 2.585 60.600 58.000 0.025 0.000 1.188 301 F CB -0.817 38.229 39.000 0.077 0.000 0.968 301 F HN 0.350 nan 8.300 nan 0.000 0.476 302 Y N 0.821 121.286 120.300 0.275 0.000 2.181 302 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 302 Y C 2.141 178.046 175.900 0.009 0.000 1.179 302 Y CA 1.774 59.970 58.100 0.160 0.000 1.179 302 Y CB -1.037 37.528 38.460 0.175 0.000 0.973 302 Y HN 0.288 nan 8.280 nan 0.000 0.519 303 L N -0.003 121.132 121.223 -0.147 0.000 1.951 303 L HA -0.323 4.017 4.340 -0.000 0.000 0.222 303 L C 2.361 179.108 176.870 -0.204 0.000 1.078 303 L CA 2.696 57.362 54.840 -0.291 0.000 0.778 303 L CB -1.104 40.666 42.059 -0.481 0.000 0.893 303 L HN 0.383 nan 8.230 nan 0.000 0.436 304 H N -1.309 117.607 119.070 -0.258 0.000 2.457 304 H HA -0.087 4.469 4.556 -0.000 0.000 0.294 304 H C 2.360 177.462 175.328 -0.376 0.000 1.064 304 H CA 0.893 56.728 56.048 -0.355 0.000 1.330 304 H CB 0.000 29.531 29.762 -0.385 0.000 1.395 304 H HN 0.614 nan 8.280 nan 0.000 0.541 305 S N 1.020 116.535 115.700 -0.307 0.000 2.345 305 S HA -0.183 4.287 4.470 -0.000 0.000 0.220 305 S C 2.026 176.559 174.600 -0.113 0.000 1.031 305 S CA 0.696 58.744 58.200 -0.253 0.000 0.996 305 S CB -0.250 62.839 63.200 -0.186 0.000 0.882 305 S HN 0.323 nan 8.310 nan 0.000 0.445 306 R N 0.479 120.912 120.500 -0.112 0.000 2.134 306 R HA -0.135 4.205 4.340 -0.000 0.000 0.248 306 R C 2.389 178.684 176.300 -0.009 0.000 1.143 306 R CA 1.804 57.862 56.100 -0.069 0.000 0.957 306 R CB -0.848 29.342 30.300 -0.182 0.000 0.867 306 R HN 0.425 nan 8.270 nan 0.000 0.441 307 L N 0.820 122.004 121.223 -0.066 0.000 1.955 307 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 307 L C 2.113 178.880 176.870 -0.172 0.000 1.072 307 L CA 1.787 56.470 54.840 -0.262 0.000 0.755 307 L CB -0.451 41.240 42.059 -0.614 0.000 0.888 307 L HN 0.148 nan 8.230 nan 0.000 0.432 308 L N -0.932 120.188 121.223 -0.173 0.000 2.217 308 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 308 L C 2.393 179.239 176.870 -0.039 0.000 1.107 308 L CA 0.562 55.344 54.840 -0.097 0.000 0.783 308 L CB -0.721 41.262 42.059 -0.127 0.000 0.919 308 L HN 0.281 nan 8.230 nan 0.000 0.442 309 E N 0.607 120.787 120.200 -0.034 0.000 2.333 309 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 309 E C 2.149 178.759 176.600 0.016 0.000 1.007 309 E CA 0.756 57.157 56.400 0.002 0.000 0.845 309 E CB -0.061 29.651 29.700 0.020 0.000 0.766 309 E HN 0.477 nan 8.360 nan 0.000 0.507 310 R N 0.420 120.929 120.500 0.016 0.000 2.235 310 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 310 R C 0.863 177.185 176.300 0.037 0.000 1.059 310 R CA 0.442 56.562 56.100 0.033 0.000 0.997 310 R CB 0.064 30.390 30.300 0.044 0.000 0.884 310 R HN -0.060 nan 8.270 nan 0.000 0.462 311 A N 0.893 123.733 122.820 0.033 0.000 2.363 311 A HA 0.642 4.962 4.320 -0.000 0.000 0.270 311 A C -0.258 177.343 177.584 0.028 0.000 1.121 311 A CA 0.036 52.094 52.037 0.035 0.000 0.800 311 A CB 0.640 19.660 19.000 0.033 0.000 1.052 311 A HN 0.291 nan 8.150 nan 0.000 0.493 312 A N 1.867 124.705 122.820 0.030 0.000 2.566 312 A HA 0.681 5.001 4.320 -0.000 0.000 0.290 312 A C -0.987 176.618 177.584 0.035 0.000 1.071 312 A CA -0.725 51.330 52.037 0.029 0.000 0.658 312 A CB 0.882 19.898 19.000 0.027 0.000 1.285 312 A HN 0.883 nan 8.150 nan 0.000 0.427 313 K N 1.394 121.818 120.400 0.041 0.000 2.334 313 K HA 0.639 4.959 4.320 -0.000 0.000 0.265 313 K C -1.058 175.571 176.600 0.049 0.000 1.039 313 K CA -0.238 56.083 56.287 0.057 0.000 0.920 313 K CB -0.101 32.445 32.500 0.076 0.000 1.160 313 K HN 0.573 nan 8.250 nan 0.000 0.451 314 L N 2.960 124.203 121.223 0.032 0.000 2.452 314 L HA 0.237 4.577 4.340 -0.000 0.000 0.267 314 L C 0.695 177.579 176.870 0.025 0.000 1.188 314 L CA -0.495 54.355 54.840 0.016 0.000 0.821 314 L CB 1.047 43.100 42.059 -0.010 0.000 1.102 314 L HN 0.827 nan 8.230 nan 0.000 0.470 315 S N 0.483 116.191 115.700 0.014 0.000 2.614 315 S HA 0.091 4.561 4.470 -0.000 0.000 0.265 315 S C 0.870 175.473 174.600 0.006 0.000 1.303 315 S CA -0.632 57.576 58.200 0.013 0.000 1.000 315 S CB 1.158 64.361 63.200 0.005 0.000 0.935 315 S HN 0.695 nan 8.310 nan 0.000 0.551 316 E N 0.907 121.110 120.200 0.006 0.000 2.136 316 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 316 E C 1.821 178.416 176.600 -0.008 0.000 1.019 316 E CA 1.702 58.103 56.400 0.002 0.000 0.819 316 E CB -0.213 29.486 29.700 -0.003 0.000 0.739 316 E HN 0.759 nan 8.360 nan 0.000 0.458 317 K N 0.637 121.031 120.400 -0.010 0.000 2.280 317 K HA -0.178 4.142 4.320 -0.000 0.000 0.202 317 K C 1.309 177.896 176.600 -0.023 0.000 1.047 317 K CA 1.021 57.299 56.287 -0.015 0.000 0.942 317 K CB 0.166 32.659 32.500 -0.012 0.000 0.739 317 K HN -0.111 nan 8.250 nan 0.000 0.457 318 E N -0.997 119.188 120.200 -0.024 0.000 2.444 318 E HA 0.115 4.465 4.350 -0.000 0.000 0.191 318 E C 0.479 177.045 176.600 -0.056 0.000 1.041 318 E CA 0.488 56.865 56.400 -0.038 0.000 0.883 318 E CB 0.720 30.402 29.700 -0.031 0.000 1.024 318 E HN 0.469 nan 8.360 nan 0.000 0.470 319 G N -0.160 108.611 108.800 -0.048 0.000 2.175 319 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 319 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 319 G C 0.685 175.551 174.900 -0.056 0.000 0.982 319 G CA 0.337 45.400 45.100 -0.062 0.000 0.641 319 G HN 0.323 nan 8.290 nan 0.000 0.527 320 S N -1.403 114.277 115.700 -0.032 0.000 3.319 320 S HA -0.168 4.301 4.470 -0.000 0.000 0.319 320 S C 1.861 176.435 174.600 -0.043 0.000 1.236 320 S CA 1.615 59.816 58.200 0.002 0.000 0.964 320 S CB -1.692 61.538 63.200 0.050 0.000 1.040 320 S HN 2.234 nan 8.310 nan 0.000 0.620 321 G N 0.963 109.683 108.800 -0.133 0.000 2.712 321 G HA2 0.480 4.440 3.960 -0.000 0.000 0.258 321 G HA3 0.480 4.440 3.960 -0.000 0.000 0.258 321 G C -0.074 174.738 174.900 -0.147 0.000 1.241 321 G CA 0.375 45.310 45.100 -0.276 0.000 0.923 321 G HN 1.362 nan 8.290 nan 0.000 0.548 322 S N -1.547 114.074 115.700 -0.132 0.000 2.537 322 S HA 0.547 5.017 4.470 -0.000 0.000 0.271 322 S C -1.600 173.042 174.600 0.070 0.000 1.148 322 S CA -0.779 57.452 58.200 0.052 0.000 0.868 322 S CB 1.745 65.084 63.200 0.232 0.000 1.115 322 S HN 1.190 nan 8.310 nan 0.000 0.461 323 L N 2.745 124.004 121.223 0.059 0.000 2.406 323 L HA 0.752 5.092 4.340 -0.000 0.000 0.272 323 L C -0.674 176.211 176.870 0.026 0.000 0.980 323 L CA 0.252 55.123 54.840 0.052 0.000 0.831 323 L CB 2.062 44.156 42.059 0.057 0.000 1.253 323 L HN 0.871 nan 8.230 nan 0.000 0.406 324 T N 3.711 118.267 114.554 0.003 0.000 2.895 324 T HA 0.853 5.203 4.350 -0.000 0.000 0.283 324 T C -0.486 174.188 174.700 -0.043 0.000 1.014 324 T CA -0.325 61.763 62.100 -0.020 0.000 1.037 324 T CB 1.636 70.481 68.868 -0.038 0.000 1.006 324 T HN 0.766 nan 8.240 nan 0.000 0.468 325 A N 2.697 125.497 122.820 -0.034 0.000 2.330 325 A HA 0.700 5.020 4.320 -0.000 0.000 0.313 325 A C -0.470 177.086 177.584 -0.046 0.000 1.124 325 A CA -0.681 51.330 52.037 -0.044 0.000 0.774 325 A CB 0.604 19.631 19.000 0.044 0.000 1.198 325 A HN 0.851 nan 8.150 nan 0.000 0.465 326 L N 4.691 125.855 121.223 -0.097 0.000 2.603 326 L HA 0.289 4.629 4.340 -0.000 0.000 0.242 326 L C -2.279 174.567 176.870 -0.040 0.000 1.169 326 L CA -1.657 53.145 54.840 -0.064 0.000 1.029 326 L CB 0.976 42.996 42.059 -0.066 0.000 1.361 326 L HN 0.481 nan 8.230 nan 0.000 0.439 327 P HA 0.067 nan 4.420 nan 0.000 0.271 327 P C -0.293 176.988 177.300 -0.031 0.000 1.216 327 P CA -0.007 63.127 63.100 0.056 0.000 0.771 327 P CB 1.610 33.295 31.700 -0.025 0.000 0.864 328 V N 5.066 124.954 119.914 -0.044 0.000 2.439 328 V HA 0.339 4.458 4.120 -0.000 0.000 0.282 328 V C 0.568 176.613 176.094 -0.082 0.000 1.039 328 V CA -0.382 61.882 62.300 -0.059 0.000 0.913 328 V CB 1.135 32.929 31.823 -0.048 0.000 0.983 328 V HN 0.434 nan 8.190 nan 0.000 0.460 329 I N 3.585 124.104 120.570 -0.084 0.000 2.533 329 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 329 I C -0.048 176.023 176.117 -0.078 0.000 1.056 329 I CA -0.398 60.851 61.300 -0.085 0.000 1.057 329 I CB 2.107 40.052 38.000 -0.092 0.000 1.240 329 I HN 0.705 nan 8.210 nan 0.000 0.423 330 E N 5.170 125.338 120.200 -0.053 0.000 2.055 330 E HA 0.277 4.627 4.350 -0.000 0.000 0.274 330 E C -0.277 176.304 176.600 -0.033 0.000 0.949 330 E CA -0.305 56.065 56.400 -0.050 0.000 0.775 330 E CB 1.095 30.781 29.700 -0.025 0.000 1.097 330 E HN 0.697 nan 8.360 nan 0.000 0.404 331 T N 1.771 116.292 114.554 -0.055 0.000 2.788 331 T HA 0.218 4.567 4.350 -0.000 0.000 0.287 331 T C 0.183 174.883 174.700 0.001 0.000 1.007 331 T CA -0.780 61.311 62.100 -0.016 0.000 1.005 331 T CB 1.250 70.108 68.868 -0.016 0.000 1.012 331 T HN 0.266 nan 8.240 nan 0.000 0.530 332 Q N 0.380 120.198 119.800 0.030 0.000 2.339 332 Q HA 0.452 4.792 4.340 -0.000 0.000 0.268 332 Q C 0.908 176.932 176.000 0.041 0.000 1.027 332 Q CA 0.016 55.840 55.803 0.034 0.000 0.759 332 Q CB 1.227 29.995 28.738 0.049 0.000 1.244 332 Q HN 1.286 nan 8.270 nan 0.000 0.464 333 G N 1.766 110.586 108.800 0.034 0.000 2.296 333 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.282 333 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.282 333 G C 0.782 175.717 174.900 0.059 0.000 1.014 333 G CA 0.960 46.086 45.100 0.043 0.000 0.812 333 G HN 1.342 nan 8.290 nan 0.000 0.508 334 G N -1.125 107.712 108.800 0.061 0.000 2.132 334 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.234 334 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.234 334 G C 0.067 175.047 174.900 0.134 0.000 0.989 334 G CA 0.752 45.919 45.100 0.111 0.000 0.676 334 G HN 1.138 nan 8.290 nan 0.000 0.522 335 D N 1.100 121.558 120.400 0.097 0.000 2.435 335 D HA 0.383 5.023 4.640 -0.000 0.000 0.230 335 D C 1.972 178.336 176.300 0.106 0.000 1.215 335 D CA 0.292 54.350 54.000 0.096 0.000 0.947 335 D CB 0.713 41.563 40.800 0.082 0.000 1.048 335 D HN 0.526 nan 8.370 nan 0.000 0.512 336 V N 1.400 121.389 119.914 0.126 0.000 2.970 336 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 336 V C 1.817 177.967 176.094 0.094 0.000 1.100 336 V CA 0.848 63.222 62.300 0.123 0.000 1.122 336 V CB -0.360 31.547 31.823 0.140 0.000 0.721 336 V HN 0.268 nan 8.190 nan 0.000 0.483 337 S N 0.559 116.312 115.700 0.090 0.000 2.496 337 S HA 0.416 4.886 4.470 -0.000 0.000 0.224 337 S C 1.376 176.048 174.600 0.120 0.000 0.996 337 S CA 0.426 58.682 58.200 0.094 0.000 0.927 337 S CB -0.341 62.907 63.200 0.080 0.000 0.774 337 S HN 0.901 nan 8.310 nan 0.000 0.524 338 A N 1.002 123.892 122.820 0.116 0.000 2.586 338 A HA 0.052 4.372 4.320 -0.000 0.000 0.231 338 A C 0.918 178.609 177.584 0.178 0.000 1.055 338 A CA 0.031 52.154 52.037 0.143 0.000 0.756 338 A CB -0.252 18.818 19.000 0.117 0.000 0.988 338 A HN 0.392 nan 8.150 nan 0.000 0.509 339 Y N 2.430 122.773 120.300 0.072 0.000 2.053 339 Y HA -0.270 4.280 4.550 -0.000 0.000 0.277 339 Y C 1.933 177.835 175.900 0.003 0.000 1.159 339 Y CA 2.440 60.571 58.100 0.051 0.000 1.125 339 Y CB -0.222 38.285 38.460 0.078 0.000 0.969 339 Y HN 0.577 nan 8.280 nan 0.000 0.492 340 I N 0.364 120.817 120.570 -0.195 0.000 2.113 340 I HA -0.197 3.973 4.170 -0.000 0.000 0.238 340 I C -0.283 175.740 176.117 -0.156 0.000 1.070 340 I CA 1.410 62.530 61.300 -0.300 0.000 1.332 340 I CB -2.865 35.009 38.000 -0.209 0.000 1.044 340 I HN 0.139 nan 8.210 nan 0.000 0.402 341 P HA -0.152 nan 4.420 nan 0.000 0.217 341 P C 1.731 179.026 177.300 -0.009 0.000 1.148 341 P CA 1.853 64.939 63.100 -0.024 0.000 0.834 341 P CB -0.172 31.544 31.700 0.026 0.000 0.783 342 T N -1.000 113.554 114.554 -0.001 0.000 2.614 342 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 342 T C 1.583 176.304 174.700 0.035 0.000 1.055 342 T CA 1.748 63.870 62.100 0.036 0.000 1.162 342 T CB -1.195 67.721 68.868 0.079 0.000 0.863 342 T HN 0.110 nan 8.240 nan 0.000 0.414 343 N N 1.023 119.714 118.700 -0.013 0.000 2.036 343 N HA -0.136 4.604 4.740 -0.000 0.000 0.199 343 N C 1.899 177.402 175.510 -0.013 0.000 1.036 343 N CA 1.375 54.471 53.050 0.077 0.000 0.870 343 N CB -1.106 37.347 38.487 -0.057 0.000 1.055 343 N HN 0.218 nan 8.380 nan 0.000 0.436 344 V N 0.893 120.752 119.914 -0.092 0.000 2.307 344 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 344 V C 2.225 178.275 176.094 -0.073 0.000 1.045 344 V CA 1.203 63.417 62.300 -0.143 0.000 1.024 344 V CB -0.554 31.145 31.823 -0.205 0.000 0.651 344 V HN 0.263 nan 8.190 nan 0.000 0.449 345 I N 1.417 121.973 120.570 -0.024 0.000 2.315 345 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 345 I C 2.433 178.567 176.117 0.029 0.000 1.125 345 I CA 2.010 63.319 61.300 0.013 0.000 1.392 345 I CB -0.238 37.787 38.000 0.041 0.000 1.065 345 I HN 0.506 nan 8.210 nan 0.000 0.424 346 S N -0.423 115.310 115.700 0.055 0.000 2.593 346 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 346 S C 1.609 176.265 174.600 0.095 0.000 0.966 346 S CA 0.032 58.289 58.200 0.095 0.000 0.914 346 S CB -0.262 63.032 63.200 0.156 0.000 0.776 346 S HN 0.435 nan 8.310 nan 0.000 0.523 347 I N 2.058 122.641 120.570 0.022 0.000 2.927 347 I HA 0.045 4.215 4.170 -0.000 0.000 0.268 347 I C 1.467 177.572 176.117 -0.020 0.000 1.153 347 I CA 0.587 61.872 61.300 -0.025 0.000 1.459 347 I CB -0.363 37.544 38.000 -0.156 0.000 1.149 347 I HN 0.375 nan 8.210 nan 0.000 0.443 348 T N -1.876 112.663 114.554 -0.025 0.000 2.788 348 T HA 0.117 4.467 4.350 -0.000 0.000 0.280 348 T C 0.387 175.089 174.700 0.004 0.000 0.984 348 T CA -0.488 61.602 62.100 -0.018 0.000 0.972 348 T CB 0.926 69.779 68.868 -0.025 0.000 1.039 348 T HN 0.023 nan 8.240 nan 0.000 0.530 349 D N 0.202 120.605 120.400 0.005 0.000 2.395 349 D HA 0.400 5.039 4.640 -0.000 0.000 0.226 349 D C 0.963 177.272 176.300 0.015 0.000 1.146 349 D CA 0.274 54.281 54.000 0.012 0.000 0.830 349 D CB -0.091 40.715 40.800 0.010 0.000 0.958 349 D HN 0.986 nan 8.370 nan 0.000 0.501 350 G N 0.405 109.215 108.800 0.017 0.000 2.359 350 G HA2 0.173 4.133 3.960 -0.000 0.000 0.314 350 G HA3 0.173 4.133 3.960 -0.000 0.000 0.314 350 G C -1.826 173.095 174.900 0.036 0.000 1.364 350 G CA -1.021 44.095 45.100 0.027 0.000 0.978 350 G HN 0.033 nan 8.290 nan 0.000 0.615 351 Q N -0.946 118.889 119.800 0.058 0.000 2.359 351 Q HA 0.736 5.076 4.340 -0.000 0.000 0.274 351 Q C -0.499 175.564 176.000 0.105 0.000 1.074 351 Q CA -0.561 55.295 55.803 0.089 0.000 0.810 351 Q CB 2.707 31.538 28.738 0.155 0.000 1.342 351 Q HN 0.641 nan 8.270 nan 0.000 0.427 352 I N 1.906 122.530 120.570 0.089 0.000 2.321 352 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 352 I C -0.997 175.191 176.117 0.118 0.000 0.998 352 I CA -0.555 60.802 61.300 0.096 0.000 1.227 352 I CB 0.636 38.664 38.000 0.047 0.000 1.368 352 I HN 0.486 nan 8.210 nan 0.000 0.466 353 F N 7.434 127.388 119.950 0.007 0.000 2.426 353 F HA 0.601 5.128 4.527 0.000 0.000 0.348 353 F C -0.797 175.009 175.800 0.009 0.000 1.124 353 F CA -0.471 57.532 58.000 0.006 0.000 1.008 353 F CB 1.001 40.005 39.000 0.007 0.000 1.139 353 F HN 0.210 nan 8.300 nan 0.000 0.452 354 L N 5.267 126.285 121.223 -0.342 0.000 2.331 354 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 354 L C -0.937 175.837 176.870 -0.161 0.000 1.022 354 L CA -0.569 54.178 54.840 -0.156 0.000 0.812 354 L CB 1.886 43.861 42.059 -0.141 0.000 1.257 354 L HN 0.515 nan 8.230 nan 0.000 0.435 355 E N 1.158 121.349 120.200 -0.015 0.000 2.287 355 E HA 0.290 4.640 4.350 -0.000 0.000 0.274 355 E C -0.057 176.512 176.600 -0.052 0.000 0.896 355 E CA -0.550 55.852 56.400 0.003 0.000 0.788 355 E CB 2.027 31.795 29.700 0.112 0.000 1.244 355 E HN 0.689 nan 8.360 nan 0.000 0.408 356 A N 2.923 125.645 122.820 -0.163 0.000 2.024 356 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 356 A C 1.793 179.117 177.584 -0.433 0.000 1.164 356 A CA 1.396 53.179 52.037 -0.423 0.000 0.643 356 A CB -0.212 18.516 19.000 -0.452 0.000 0.806 356 A HN 0.591 nan 8.150 nan 0.000 0.451 357 E N -0.113 120.026 120.200 -0.102 0.000 2.023 357 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 357 E C 2.047 178.672 176.600 0.041 0.000 1.003 357 E CA 1.395 57.818 56.400 0.037 0.000 0.809 357 E CB -0.461 29.282 29.700 0.072 0.000 0.755 357 E HN 0.662 nan 8.360 nan 0.000 0.449 358 L N 0.119 121.365 121.223 0.040 0.000 2.081 358 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 358 L C 2.497 179.386 176.870 0.030 0.000 1.080 358 L CA 1.178 56.046 54.840 0.048 0.000 0.754 358 L CB -0.427 41.668 42.059 0.061 0.000 0.893 358 L HN 0.089 nan 8.230 nan 0.000 0.433 359 F N -0.647 119.202 119.950 -0.169 0.000 2.126 359 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 359 F C 2.155 177.878 175.800 -0.128 0.000 1.096 359 F CA 1.555 59.429 58.000 -0.209 0.000 1.255 359 F CB -0.125 38.659 39.000 -0.360 0.000 0.997 359 F HN 0.009 nan 8.300 nan 0.000 0.479 360 Y N 0.231 120.697 120.300 0.276 0.000 2.516 360 Y HA -0.003 4.546 4.550 -0.000 0.000 0.291 360 Y C 2.097 178.031 175.900 0.057 0.000 1.131 360 Y CA 0.425 58.629 58.100 0.172 0.000 1.281 360 Y CB -0.990 37.565 38.460 0.158 0.000 1.013 360 Y HN 0.012 nan 8.280 nan 0.000 0.554 361 K N -0.537 119.954 120.400 0.152 0.000 2.209 361 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 361 K C 1.575 178.187 176.600 0.021 0.000 1.048 361 K CA 1.076 57.412 56.287 0.082 0.000 0.940 361 K CB -0.345 32.194 32.500 0.064 0.000 0.729 361 K HN 0.495 nan 8.250 nan 0.000 0.451 362 G N 1.162 109.931 108.800 -0.051 0.000 2.179 362 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 362 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 362 G C 0.121 174.928 174.900 -0.155 0.000 0.990 362 G CA -0.324 44.696 45.100 -0.134 0.000 0.646 362 G HN 0.187 nan 8.290 nan 0.000 0.517 363 I N 1.824 122.326 120.570 -0.114 0.000 2.357 363 I HA 0.394 4.564 4.170 -0.000 0.000 0.300 363 I C 0.637 176.678 176.117 -0.127 0.000 1.159 363 I CA 0.003 61.255 61.300 -0.080 0.000 1.339 363 I CB 0.173 38.164 38.000 -0.014 0.000 1.458 363 I HN 0.013 nan 8.210 nan 0.000 0.577 364 R N 7.413 127.817 120.500 -0.160 0.000 2.480 364 R HA 0.452 4.792 4.340 -0.000 0.000 0.306 364 R C -2.539 173.715 176.300 -0.077 0.000 0.958 364 R CA -1.719 54.287 56.100 -0.156 0.000 0.861 364 R CB 1.148 31.277 30.300 -0.285 0.000 1.171 364 R HN 0.227 nan 8.270 nan 0.000 0.445 365 P HA 0.019 nan 4.420 nan 0.000 0.271 365 P C -0.571 176.736 177.300 0.011 0.000 1.218 365 P CA -0.191 62.907 63.100 -0.003 0.000 0.780 365 P CB 1.082 32.789 31.700 0.012 0.000 0.901 366 A N 4.350 127.202 122.820 0.054 0.000 3.033 366 A HA 0.207 4.527 4.320 -0.000 0.000 0.250 366 A C 0.656 178.285 177.584 0.076 0.000 1.633 366 A CA -0.356 51.725 52.037 0.073 0.000 1.290 366 A CB -1.473 17.629 19.000 0.169 0.000 1.048 366 A HN 0.491 nan 8.150 nan 0.000 0.648 367 I N 1.467 122.077 120.570 0.068 0.000 2.379 367 I HA 0.017 4.187 4.170 -0.000 0.000 0.290 367 I C 0.477 176.660 176.117 0.110 0.000 1.063 367 I CA -0.364 60.989 61.300 0.089 0.000 1.351 367 I CB 0.512 38.555 38.000 0.072 0.000 1.410 367 I HN 0.368 nan 8.210 nan 0.000 0.505 368 N N 6.337 125.136 118.700 0.165 0.000 2.427 368 N HA 0.002 4.742 4.740 -0.000 0.000 0.269 368 N C 0.713 176.288 175.510 0.108 0.000 1.235 368 N CA 0.216 53.356 53.050 0.149 0.000 0.934 368 N CB 1.331 39.946 38.487 0.213 0.000 1.121 368 N HN 0.392 nan 8.380 nan 0.000 0.480 369 V N 3.816 123.776 119.914 0.076 0.000 2.407 369 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 369 V C 2.277 178.392 176.094 0.034 0.000 1.041 369 V CA 1.934 64.270 62.300 0.061 0.000 1.040 369 V CB -0.838 31.025 31.823 0.067 0.000 0.671 369 V HN 0.779 nan 8.190 nan 0.000 0.455 370 G N -0.399 108.411 108.800 0.017 0.000 2.448 370 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 370 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 370 G C 1.493 176.359 174.900 -0.056 0.000 1.127 370 G CA 0.681 45.772 45.100 -0.015 0.000 0.766 370 G HN 0.477 nan 8.290 nan 0.000 0.552 371 L N 0.406 121.574 121.223 -0.092 0.000 2.513 371 L HA 0.199 4.539 4.340 -0.000 0.000 0.222 371 L C 0.654 177.468 176.870 -0.092 0.000 1.096 371 L CA -0.083 54.637 54.840 -0.201 0.000 0.857 371 L CB 0.286 42.021 42.059 -0.540 0.000 1.026 371 L HN 0.008 nan 8.230 nan 0.000 0.469 372 S N 0.859 116.567 115.700 0.013 0.000 2.489 372 S HA 0.431 4.900 4.470 -0.000 0.000 0.277 372 S C -0.183 174.439 174.600 0.036 0.000 1.230 372 S CA -0.476 57.764 58.200 0.066 0.000 1.053 372 S CB 1.494 64.753 63.200 0.098 0.000 0.955 372 S HN 0.105 nan 8.310 nan 0.000 0.488 373 V N 0.815 120.750 119.914 0.035 0.000 2.962 373 V HA 0.884 5.004 4.120 -0.000 0.000 0.313 373 V C -0.368 175.743 176.094 0.027 0.000 1.099 373 V CA -0.737 61.578 62.300 0.025 0.000 0.971 373 V CB 2.091 33.923 31.823 0.014 0.000 1.028 373 V HN 0.632 nan 8.190 nan 0.000 0.430 374 S N 1.984 117.697 115.700 0.022 0.000 2.718 374 S HA 0.466 4.936 4.470 -0.000 0.000 0.294 374 S C 0.858 175.467 174.600 0.015 0.000 1.157 374 S CA -0.688 57.522 58.200 0.018 0.000 1.121 374 S CB 0.884 64.093 63.200 0.015 0.000 1.015 374 S HN 0.850 nan 8.310 nan 0.000 0.479 375 R N 2.392 122.901 120.500 0.015 0.000 2.170 375 R HA -0.089 4.251 4.340 -0.000 0.000 0.242 375 R C 1.716 178.025 176.300 0.015 0.000 1.145 375 R CA 1.504 57.613 56.100 0.015 0.000 0.984 375 R CB -0.386 29.924 30.300 0.017 0.000 0.869 375 R HN 0.516 nan 8.270 nan 0.000 0.455 376 V N 0.026 119.948 119.914 0.013 0.000 2.283 376 V HA -0.083 4.037 4.120 -0.000 0.000 0.243 376 V C 1.883 177.984 176.094 0.013 0.000 1.039 376 V CA 1.795 64.103 62.300 0.013 0.000 1.016 376 V CB -0.998 30.830 31.823 0.008 0.000 0.650 376 V HN 0.709 nan 8.190 nan 0.000 0.449 377 G N -0.072 108.735 108.800 0.011 0.000 2.629 377 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.313 377 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.313 377 G C 1.192 176.099 174.900 0.012 0.000 1.217 377 G CA 0.953 46.060 45.100 0.012 0.000 0.994 377 G HN 0.398 nan 8.290 nan 0.000 0.549 378 S N 0.404 116.114 115.700 0.016 0.000 2.407 378 S HA -0.247 4.223 4.470 -0.000 0.000 0.244 378 S C 2.816 177.426 174.600 0.016 0.000 1.077 378 S CA 3.283 61.494 58.200 0.017 0.000 1.159 378 S CB -0.900 62.311 63.200 0.019 0.000 1.045 378 S HN 1.868 nan 8.310 nan 0.000 0.438 379 A N -0.079 122.753 122.820 0.019 0.000 2.186 379 A HA 0.199 4.519 4.320 -0.000 0.000 0.219 379 A C 1.645 179.242 177.584 0.021 0.000 1.159 379 A CA 1.616 53.669 52.037 0.027 0.000 0.680 379 A CB -0.469 18.552 19.000 0.035 0.000 0.787 379 A HN 0.619 nan 8.150 nan 0.000 0.467 380 A N -1.491 121.330 122.820 0.001 0.000 2.594 380 A HA 0.449 4.768 4.320 -0.000 0.000 0.287 380 A C 0.385 177.948 177.584 -0.035 0.000 1.227 380 A CA -0.170 51.850 52.037 -0.027 0.000 0.952 380 A CB 0.021 19.000 19.000 -0.035 0.000 1.161 380 A HN 0.481 nan 8.150 nan 0.000 0.524 381 Q N 0.472 120.263 119.800 -0.015 0.000 2.316 381 Q HA 0.498 4.838 4.340 -0.000 0.000 0.264 381 Q C -0.811 175.184 176.000 -0.007 0.000 0.987 381 Q CA -0.627 55.170 55.803 -0.009 0.000 0.852 381 Q CB 1.990 30.732 28.738 0.007 0.000 1.287 381 Q HN 0.185 nan 8.270 nan 0.000 0.448 382 V N 5.012 124.920 119.914 -0.009 0.000 2.539 382 V HA -0.189 3.931 4.120 -0.000 0.000 0.294 382 V C 1.466 177.569 176.094 0.014 0.000 0.994 382 V CA 0.800 63.100 62.300 0.001 0.000 1.169 382 V CB -0.091 31.742 31.823 0.016 0.000 0.898 382 V HN 0.904 nan 8.190 nan 0.000 0.471 383 K N 4.473 124.882 120.400 0.014 0.000 2.144 383 K HA -0.283 4.037 4.320 -0.000 0.000 0.209 383 K C 2.097 178.714 176.600 0.030 0.000 1.047 383 K CA 1.935 58.235 56.287 0.021 0.000 0.927 383 K CB -0.196 32.316 32.500 0.020 0.000 0.716 383 K HN 0.877 nan 8.250 nan 0.000 0.454 384 A N 0.266 123.104 122.820 0.030 0.000 1.898 384 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 384 A C 2.009 179.624 177.584 0.051 0.000 1.181 384 A CA 1.253 53.313 52.037 0.038 0.000 0.620 384 A CB -0.471 18.547 19.000 0.029 0.000 0.819 384 A HN 0.310 nan 8.150 nan 0.000 0.442 385 L N -0.226 121.025 121.223 0.046 0.000 2.109 385 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 385 L C 2.285 179.185 176.870 0.051 0.000 1.086 385 L CA 2.183 57.054 54.840 0.052 0.000 0.760 385 L CB -0.356 41.729 42.059 0.043 0.000 0.910 385 L HN 0.414 nan 8.230 nan 0.000 0.437 386 K N -1.159 119.266 120.400 0.042 0.000 2.283 386 K HA -0.158 4.162 4.320 -0.000 0.000 0.202 386 K C 1.927 178.556 176.600 0.048 0.000 1.048 386 K CA 1.024 57.336 56.287 0.041 0.000 0.948 386 K CB 0.085 32.604 32.500 0.032 0.000 0.742 386 K HN 0.510 nan 8.250 nan 0.000 0.458 387 Q N -0.014 119.819 119.800 0.056 0.000 2.083 387 Q HA -0.074 4.265 4.340 -0.000 0.000 0.198 387 Q C 1.642 177.691 176.000 0.082 0.000 0.969 387 Q CA 1.515 57.358 55.803 0.066 0.000 0.838 387 Q CB 0.297 29.076 28.738 0.070 0.000 0.900 387 Q HN 0.285 nan 8.270 nan 0.000 0.436 388 V N -3.502 116.470 119.914 0.097 0.000 3.331 388 V HA 0.521 4.641 4.120 -0.000 0.000 0.332 388 V C 0.719 176.845 176.094 0.053 0.000 1.341 388 V CA 0.601 62.962 62.300 0.101 0.000 1.218 388 V CB 0.211 32.152 31.823 0.197 0.000 1.152 388 V HN 0.182 nan 8.190 nan 0.000 0.445 389 A N -0.247 122.605 122.820 0.053 0.000 2.701 389 A HA 0.554 4.874 4.320 -0.000 0.000 0.241 389 A C 1.816 179.436 177.584 0.060 0.000 1.231 389 A CA 0.572 52.637 52.037 0.048 0.000 1.003 389 A CB -0.099 18.929 19.000 0.047 0.000 1.281 389 A HN 0.636 nan 8.150 nan 0.000 0.600 390 G N 1.249 110.085 108.800 0.060 0.000 2.462 390 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 390 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 390 G C 1.677 176.628 174.900 0.086 0.000 1.121 390 G CA 1.891 47.028 45.100 0.061 0.000 0.758 390 G HN 0.862 nan 8.290 nan 0.000 0.559 391 S N 0.107 115.878 115.700 0.119 0.000 2.436 391 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 391 S C 2.144 176.935 174.600 0.317 0.000 1.014 391 S CA 0.867 59.210 58.200 0.238 0.000 0.950 391 S CB -0.195 63.170 63.200 0.274 0.000 0.784 391 S HN 0.173 nan 8.310 nan 0.000 0.504 392 L N 1.927 123.247 121.223 0.162 0.000 2.056 392 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 392 L C 2.435 179.392 176.870 0.145 0.000 1.078 392 L CA 1.772 56.688 54.840 0.128 0.000 0.749 392 L CB -0.665 41.425 42.059 0.052 0.000 0.901 392 L HN 0.250 nan 8.230 nan 0.000 0.433 393 K N -1.048 119.417 120.400 0.109 0.000 2.148 393 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 393 K C 2.130 178.781 176.600 0.086 0.000 1.050 393 K CA 1.271 57.609 56.287 0.086 0.000 0.942 393 K CB -0.130 32.404 32.500 0.058 0.000 0.724 393 K HN 0.298 nan 8.250 nan 0.000 0.446 394 L N 0.540 121.817 121.223 0.089 0.000 1.976 394 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 394 L C 1.892 178.755 176.870 -0.012 0.000 1.071 394 L CA 1.763 56.608 54.840 0.009 0.000 0.746 394 L CB -0.535 41.500 42.059 -0.040 0.000 0.890 394 L HN 0.096 nan 8.230 nan 0.000 0.432 395 F N -0.422 119.533 119.950 0.009 0.000 2.069 395 F HA -0.252 4.276 4.527 0.001 0.000 0.298 395 F C 2.256 178.091 175.800 0.058 0.000 1.113 395 F CA 1.781 59.789 58.000 0.014 0.000 1.214 395 F CB -0.578 38.407 39.000 -0.025 0.000 0.978 395 F HN 0.023 nan 8.300 nan 0.000 0.474 396 L N -0.768 120.599 121.223 0.239 0.000 2.362 396 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 396 L C 2.523 179.505 176.870 0.186 0.000 1.134 396 L CA 0.652 55.622 54.840 0.217 0.000 0.807 396 L CB -0.882 41.270 42.059 0.155 0.000 0.927 396 L HN 0.156 nan 8.230 nan 0.000 0.447 397 A N -0.069 122.820 122.820 0.115 0.000 1.872 397 A HA -0.201 4.119 4.320 -0.000 0.000 0.214 397 A C 2.219 179.836 177.584 0.055 0.000 1.187 397 A CA 1.210 53.285 52.037 0.063 0.000 0.614 397 A CB -0.324 18.692 19.000 0.027 0.000 0.826 397 A HN 0.438 nan 8.150 nan 0.000 0.442 398 Q N -2.155 117.676 119.800 0.052 0.000 2.230 398 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 398 Q C 1.817 177.883 176.000 0.109 0.000 0.963 398 Q CA 1.362 57.190 55.803 0.040 0.000 0.866 398 Q CB -0.254 28.470 28.738 -0.024 0.000 0.931 398 Q HN 0.826 nan 8.270 nan 0.000 0.452 399 Y N 1.166 121.489 120.300 0.038 0.000 2.373 399 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 399 Y C 1.735 177.663 175.900 0.048 0.000 1.129 399 Y CA 1.051 59.184 58.100 0.055 0.000 1.226 399 Y CB 0.192 38.693 38.460 0.069 0.000 1.000 399 Y HN -0.132 nan 8.280 nan 0.000 0.549 400 R N 0.036 120.503 120.500 -0.054 0.000 2.189 400 R HA -0.064 4.276 4.340 -0.000 0.000 0.218 400 R C 1.634 177.863 176.300 -0.118 0.000 1.074 400 R CA 1.351 57.369 56.100 -0.137 0.000 0.991 400 R CB -0.039 30.242 30.300 -0.030 0.000 0.883 400 R HN 0.494 nan 8.270 nan 0.000 0.457 401 E N -0.223 119.944 120.200 -0.055 0.000 2.400 401 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 401 E C 0.521 177.135 176.600 0.023 0.000 1.012 401 E CA 0.386 56.774 56.400 -0.021 0.000 0.875 401 E CB 0.802 30.507 29.700 0.007 0.000 0.859 401 E HN 0.040 nan 8.360 nan 0.000 0.498 402 V N 0.467 120.404 119.914 0.039 0.000 3.085 402 V HA 0.242 4.362 4.120 -0.000 0.000 0.345 402 V C 1.277 177.431 176.094 0.100 0.000 1.397 402 V CA 0.415 62.842 62.300 0.212 0.000 1.165 402 V CB 0.435 32.381 31.823 0.205 0.000 1.153 402 V HN 0.175 nan 8.190 nan 0.000 0.495 403 A N 1.166 123.915 122.820 -0.118 0.000 1.872 403 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 403 A C 2.283 179.792 177.584 -0.126 0.000 1.187 403 A CA 1.636 53.531 52.037 -0.237 0.000 0.614 403 A CB -0.392 18.400 19.000 -0.348 0.000 0.826 403 A HN 0.647 nan 8.150 nan 0.000 0.442 404 A N -1.546 121.170 122.820 -0.173 0.000 2.225 404 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 404 A C 1.554 179.002 177.584 -0.228 0.000 1.164 404 A CA 0.694 52.603 52.037 -0.213 0.000 0.710 404 A CB -0.879 17.947 19.000 -0.290 0.000 0.780 404 A HN 0.500 nan 8.150 nan 0.000 0.473 405 F N -0.548 119.378 119.950 -0.041 0.000 2.802 405 F HA 0.105 4.631 4.527 -0.002 0.000 0.300 405 F C 2.195 177.990 175.800 -0.009 0.000 1.168 405 F CA 0.346 58.334 58.000 -0.020 0.000 1.433 405 F CB 0.167 39.157 39.000 -0.016 0.000 1.115 405 F HN 0.281 nan 8.300 nan 0.000 0.582 406 A N -0.649 122.241 122.820 0.118 0.000 2.264 406 A HA 0.047 4.367 4.320 -0.000 0.000 0.207 406 A C 0.608 178.232 177.584 0.066 0.000 1.196 406 A CA 0.731 52.820 52.037 0.087 0.000 0.778 406 A CB -0.398 18.637 19.000 0.058 0.000 0.779 406 A HN 0.349 nan 8.150 nan 0.000 0.483 411 D N 2.126 122.540 120.400 0.024 0.000 2.656 411 D HA 0.475 5.115 4.640 -0.000 0.000 0.303 411 D C -0.911 175.375 176.300 -0.024 0.000 1.199 411 D CA 0.016 54.018 54.000 0.003 0.000 0.797 411 D CB 0.718 41.522 40.800 0.007 0.000 1.170 411 D HN 0.563 nan 8.370 nan 0.000 0.509 412 L N 0.442 121.641 121.223 -0.039 0.000 2.325 412 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 412 L C 0.732 177.549 176.870 -0.089 0.000 1.023 412 L CA -1.163 53.617 54.840 -0.100 0.000 0.811 412 L CB 1.443 43.443 42.059 -0.098 0.000 1.249 412 L HN 0.005 nan 8.230 nan 0.000 0.431 413 D N 2.194 122.523 120.400 -0.118 0.000 2.372 413 D HA 0.074 4.714 4.640 -0.000 0.000 0.243 413 D C 0.975 177.231 176.300 -0.073 0.000 1.121 413 D CA -0.083 53.865 54.000 -0.086 0.000 0.898 413 D CB 1.983 42.729 40.800 -0.090 0.000 1.202 413 D HN 0.674 nan 8.370 nan 0.000 0.428 414 A N 2.297 125.087 122.820 -0.049 0.000 2.084 414 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 414 A C 2.270 179.833 177.584 -0.034 0.000 1.161 414 A CA 2.283 54.299 52.037 -0.036 0.000 0.653 414 A CB -0.733 18.251 19.000 -0.027 0.000 0.802 414 A HN 0.734 nan 8.150 nan 0.000 0.457 415 S N -0.147 115.526 115.700 -0.045 0.000 2.335 415 S HA -0.151 4.319 4.470 -0.000 0.000 0.217 415 S C 1.967 176.544 174.600 -0.038 0.000 1.032 415 S CA 1.928 60.105 58.200 -0.040 0.000 0.985 415 S CB -1.312 61.858 63.200 -0.050 0.000 0.896 415 S HN 0.773 nan 8.310 nan 0.000 0.445 416 T N -0.832 113.678 114.554 -0.073 0.000 3.118 416 T HA 0.198 4.548 4.350 -0.000 0.000 0.260 416 T C 1.600 176.278 174.700 -0.037 0.000 1.139 416 T CA 0.837 62.891 62.100 -0.077 0.000 1.085 416 T CB -0.236 68.511 68.868 -0.202 0.000 0.934 416 T HN 0.511 nan 8.240 nan 0.000 0.518 417 K N 0.960 121.339 120.400 -0.035 0.000 2.007 417 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 417 K C 2.541 179.153 176.600 0.020 0.000 1.047 417 K CA 1.324 57.607 56.287 -0.005 0.000 0.937 417 K CB -0.192 32.297 32.500 -0.017 0.000 0.718 417 K HN 0.278 nan 8.250 nan 0.000 0.438 418 Q N 0.755 120.562 119.800 0.012 0.000 2.077 418 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 418 Q C 1.750 177.785 176.000 0.057 0.000 0.989 418 Q CA 2.697 58.514 55.803 0.023 0.000 0.853 418 Q CB -0.809 27.940 28.738 0.019 0.000 0.907 418 Q HN 0.296 nan 8.270 nan 0.000 0.418 419 T N 0.776 115.378 114.554 0.080 0.000 2.737 419 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 419 T C 1.544 176.367 174.700 0.204 0.000 1.040 419 T CA 1.528 63.713 62.100 0.142 0.000 1.142 419 T CB -0.248 68.692 68.868 0.121 0.000 0.861 419 T HN 0.272 nan 8.240 nan 0.000 0.456 420 L N 0.526 121.864 121.223 0.192 0.000 2.376 420 L HA 0.007 4.347 4.340 -0.000 0.000 0.219 420 L C 2.392 179.318 176.870 0.092 0.000 1.133 420 L CA 0.326 55.320 54.840 0.257 0.000 0.816 420 L CB -0.332 41.855 42.059 0.213 0.000 0.933 420 L HN 0.155 nan 8.230 nan 0.000 0.449 421 V N -0.923 119.009 119.914 0.030 0.000 2.407 421 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 421 V C 2.633 178.666 176.094 -0.101 0.000 1.041 421 V CA 1.217 63.498 62.300 -0.032 0.000 1.040 421 V CB -0.507 31.299 31.823 -0.028 0.000 0.671 421 V HN 0.363 nan 8.190 nan 0.000 0.455 422 R N 0.827 121.267 120.500 -0.099 0.000 2.062 422 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 422 R C 2.506 178.629 176.300 -0.296 0.000 1.136 422 R CA 1.621 57.617 56.100 -0.172 0.000 0.948 422 R CB -1.445 28.800 30.300 -0.093 0.000 0.845 422 R HN 0.538 nan 8.270 nan 0.000 0.430 423 G N 1.436 109.953 108.800 -0.471 0.000 2.491 423 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 423 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 423 G C 1.292 175.607 174.900 -0.974 0.000 1.180 423 G CA 1.025 45.400 45.100 -1.209 0.000 0.774 423 G HN 0.408 nan 8.290 nan 0.000 0.562 424 E N 0.137 119.971 120.200 -0.609 0.000 2.058 424 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 424 E C 2.736 179.224 176.600 -0.186 0.000 0.997 424 E CA 1.000 57.261 56.400 -0.232 0.000 0.801 424 E CB -0.147 29.512 29.700 -0.069 0.000 0.746 424 E HN 0.310 nan 8.360 nan 0.000 0.450 425 R N 0.573 120.955 120.500 -0.198 0.000 2.070 425 R HA -0.108 4.232 4.340 -0.000 0.000 0.233 425 R C 2.501 178.700 176.300 -0.168 0.000 1.137 425 R CA 1.135 57.131 56.100 -0.173 0.000 0.945 425 R CB -0.418 29.765 30.300 -0.196 0.000 0.845 425 R HN 0.134 nan 8.270 nan 0.000 0.430 426 L N -0.089 121.013 121.223 -0.202 0.000 1.990 426 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 426 L C 2.316 179.121 176.870 -0.109 0.000 1.072 426 L CA 1.819 56.562 54.840 -0.162 0.000 0.755 426 L CB -0.832 41.116 42.059 -0.185 0.000 0.889 426 L HN 0.353 nan 8.230 nan 0.000 0.432 427 T N -1.661 112.816 114.554 -0.128 0.000 2.720 427 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 427 T C 1.815 176.495 174.700 -0.033 0.000 1.037 427 T CA 1.383 63.453 62.100 -0.050 0.000 1.144 427 T CB -0.237 68.626 68.868 -0.008 0.000 0.864 427 T HN 0.179 nan 8.240 nan 0.000 0.444 428 Q N 0.710 120.480 119.800 -0.051 0.000 2.135 428 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 428 Q C 2.024 178.014 176.000 -0.018 0.000 0.981 428 Q CA 1.207 56.991 55.803 -0.033 0.000 0.856 428 Q CB -0.698 28.013 28.738 -0.044 0.000 0.902 428 Q HN 0.490 nan 8.270 nan 0.000 0.425 429 L N -0.456 120.751 121.223 -0.027 0.000 2.362 429 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 429 L C 1.012 177.894 176.870 0.019 0.000 1.134 429 L CA 0.561 55.404 54.840 0.005 0.000 0.807 429 L CB 0.057 42.109 42.059 -0.011 0.000 0.927 429 L HN 0.289 nan 8.230 nan 0.000 0.447 430 L N -1.266 119.961 121.223 0.005 0.000 2.693 430 L HA 0.123 4.463 4.340 -0.000 0.000 0.235 430 L C 0.560 177.433 176.870 0.005 0.000 1.127 430 L CA -0.148 54.699 54.840 0.012 0.000 0.914 430 L CB -0.045 42.022 42.059 0.014 0.000 1.193 430 L HN 0.030 nan 8.230 nan 0.000 0.502 431 K N 1.632 122.031 120.400 -0.003 0.000 2.258 431 K HA 0.299 4.619 4.320 -0.000 0.000 0.264 431 K C -0.127 176.467 176.600 -0.009 0.000 1.007 431 K CA 0.084 56.360 56.287 -0.018 0.000 0.941 431 K CB 0.804 33.289 32.500 -0.026 0.000 0.966 431 K HN -0.039 nan 8.250 nan 0.000 0.480 432 Q N 2.394 122.178 119.800 -0.025 0.000 2.418 432 Q HA 0.092 4.432 4.340 -0.000 0.000 0.240 432 Q C -1.318 174.657 176.000 -0.042 0.000 0.859 432 Q CA -0.561 55.232 55.803 -0.017 0.000 0.916 432 Q CB 0.922 29.656 28.738 -0.007 0.000 1.448 432 Q HN 0.604 nan 8.270 nan 0.000 0.439 433 N N 2.347 121.025 118.700 -0.037 0.000 2.305 433 N HA -0.078 4.662 4.740 -0.000 0.000 0.232 433 N C -0.092 175.357 175.510 -0.103 0.000 1.274 433 N CA 0.345 53.358 53.050 -0.062 0.000 0.870 433 N CB 0.496 38.967 38.487 -0.027 0.000 1.105 433 N HN 0.641 nan 8.380 nan 0.000 0.436 434 Q N -0.340 119.336 119.800 -0.207 0.000 2.474 434 Q HA -0.089 4.251 4.340 -0.000 0.000 0.256 434 Q C -0.243 175.581 176.000 -0.293 0.000 1.048 434 Q CA 0.048 55.595 55.803 -0.427 0.000 0.922 434 Q CB 0.212 28.437 28.738 -0.856 0.000 1.288 434 Q HN 0.553 nan 8.270 nan 0.000 0.484 435 Y N -1.307 118.976 120.300 -0.029 0.000 4.916 435 Y HA -0.278 4.272 4.550 0.000 0.000 0.247 435 Y C 0.107 175.989 175.900 -0.030 0.000 0.962 435 Y CA 1.034 59.086 58.100 -0.080 0.000 1.933 435 Y CB -2.066 36.375 38.460 -0.032 0.000 1.451 435 Y HN 0.388 nan 8.280 nan 0.000 0.539 436 S N 2.009 117.770 115.700 0.103 0.000 2.497 436 S HA 0.391 4.861 4.470 -0.000 0.000 0.176 436 S C -2.303 172.322 174.600 0.042 0.000 1.445 436 S CA -0.956 57.291 58.200 0.079 0.000 1.092 436 S CB 1.020 64.259 63.200 0.066 0.000 1.216 436 S HN 0.088 nan 8.310 nan 0.000 0.486 437 P HA 0.312 nan 4.420 nan 0.000 0.278 437 P C -0.596 176.715 177.300 0.019 0.000 1.238 437 P CA -0.526 62.590 63.100 0.028 0.000 0.794 437 P CB 0.914 32.633 31.700 0.033 0.000 0.955 438 L N 1.589 122.825 121.223 0.020 0.000 2.307 438 L HA 0.494 4.834 4.340 -0.000 0.000 0.282 438 L C 0.876 177.750 176.870 0.007 0.000 1.051 438 L CA -1.032 53.813 54.840 0.010 0.000 0.804 438 L CB 1.367 43.437 42.059 0.019 0.000 1.197 438 L HN 0.441 nan 8.230 nan 0.000 0.431 439 A N 2.434 125.240 122.820 -0.024 0.000 2.498 439 A HA 0.163 4.483 4.320 -0.000 0.000 0.239 439 A C 1.296 178.883 177.584 0.006 0.000 1.068 439 A CA -0.026 51.992 52.037 -0.031 0.000 0.766 439 A CB 0.300 19.251 19.000 -0.081 0.000 1.003 439 A HN 0.906 nan 8.150 nan 0.000 0.497 440 T N 1.222 115.803 114.554 0.045 0.000 2.624 440 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 440 T C 1.801 176.511 174.700 0.017 0.000 1.041 440 T CA 1.887 64.017 62.100 0.049 0.000 1.159 440 T CB -0.294 68.621 68.868 0.078 0.000 0.863 440 T HN 0.930 nan 8.240 nan 0.000 0.434 441 E N 1.633 121.830 120.200 -0.005 0.000 2.455 441 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 441 E C 1.367 177.930 176.600 -0.062 0.000 1.045 441 E CA 1.242 57.620 56.400 -0.037 0.000 0.872 441 E CB -0.229 29.439 29.700 -0.053 0.000 0.792 441 E HN 0.628 nan 8.360 nan 0.000 0.542 442 E N -0.038 120.134 120.200 -0.047 0.000 2.389 442 E HA 0.027 4.377 4.350 -0.000 0.000 0.199 442 E C 1.974 178.568 176.600 -0.009 0.000 0.978 442 E CA 0.027 56.393 56.400 -0.056 0.000 0.912 442 E CB 0.266 29.934 29.700 -0.053 0.000 0.907 442 E HN 0.357 nan 8.360 nan 0.000 0.494 443 Q N 0.481 120.292 119.800 0.018 0.000 2.061 443 Q HA -0.090 4.250 4.340 -0.000 0.000 0.195 443 Q C 2.590 178.635 176.000 0.076 0.000 0.967 443 Q CA 1.533 57.367 55.803 0.052 0.000 0.829 443 Q CB -0.111 28.657 28.738 0.051 0.000 0.900 443 Q HN 0.234 nan 8.270 nan 0.000 0.450 444 V N -0.683 119.268 119.914 0.062 0.000 2.392 444 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 444 V C -0.988 175.190 176.094 0.141 0.000 1.059 444 V CA 1.372 63.726 62.300 0.090 0.000 1.051 444 V CB -1.923 29.935 31.823 0.058 0.000 0.658 444 V HN 0.158 nan 8.190 nan 0.000 0.455 445 P HA -0.047 nan 4.420 nan 0.000 0.215 445 P C 2.113 179.663 177.300 0.417 0.000 1.157 445 P CA 1.528 64.737 63.100 0.183 0.000 0.863 445 P CB -0.126 31.530 31.700 -0.073 0.000 0.787 446 L N -1.315 120.116 121.223 0.347 0.000 2.046 446 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 446 L C 2.415 179.443 176.870 0.262 0.000 1.077 446 L CA 1.439 56.518 54.840 0.400 0.000 0.747 446 L CB -0.847 41.395 42.059 0.305 0.000 0.896 446 L HN -0.109 nan 8.230 nan 0.000 0.432 447 I N -1.841 118.843 120.570 0.190 0.000 2.493 447 I HA -0.297 3.873 4.170 -0.000 0.000 0.254 447 I C 2.388 178.578 176.117 0.122 0.000 1.160 447 I CA 1.064 62.432 61.300 0.114 0.000 1.445 447 I CB -0.254 37.797 38.000 0.085 0.000 1.086 447 I HN 0.185 nan 8.210 nan 0.000 0.433 448 Y N 1.612 121.972 120.300 0.099 0.000 2.109 448 Y HA -0.261 4.290 4.550 0.000 0.000 0.285 448 Y C 2.613 178.586 175.900 0.122 0.000 1.131 448 Y CA 1.683 59.844 58.100 0.102 0.000 1.121 448 Y CB -0.303 38.234 38.460 0.129 0.000 0.987 448 Y HN 0.093 nan 8.280 nan 0.000 0.495 449 A N 0.277 123.347 122.820 0.417 0.000 1.978 449 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 449 A C 2.344 179.942 177.584 0.023 0.000 1.170 449 A CA 1.802 54.028 52.037 0.316 0.000 0.636 449 A CB -1.743 17.440 19.000 0.305 0.000 0.810 449 A HN 0.650 nan 8.150 nan 0.000 0.448 450 G N -0.575 108.200 108.800 -0.041 0.000 2.575 450 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 450 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 450 G C 1.503 176.225 174.900 -0.297 0.000 1.262 450 G CA 1.169 46.165 45.100 -0.172 0.000 0.807 450 G HN 0.293 nan 8.290 nan 0.000 0.567 451 V N 1.841 121.563 119.914 -0.320 0.000 2.380 451 V HA -0.173 3.947 4.120 -0.000 0.000 0.251 451 V C 1.888 177.656 176.094 -0.544 0.000 1.063 451 V CA 1.877 63.884 62.300 -0.489 0.000 1.055 451 V CB -0.408 31.206 31.823 -0.349 0.000 0.657 451 V HN 0.373 nan 8.190 nan 0.000 0.455 452 N N 0.082 118.478 118.700 -0.507 0.000 2.322 452 N HA 0.166 4.906 4.740 -0.000 0.000 0.216 452 N C 1.241 176.381 175.510 -0.615 0.000 1.144 452 N CA 0.907 53.638 53.050 -0.533 0.000 0.830 452 N CB 0.587 38.686 38.487 -0.646 0.000 1.034 452 N HN 0.578 nan 8.380 nan 0.000 0.484 453 G N 0.562 109.061 108.800 -0.501 0.000 2.182 453 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 453 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 453 G C 0.235 174.890 174.900 -0.407 0.000 1.042 453 G CA 0.080 44.929 45.100 -0.418 0.000 0.775 453 G HN 0.596 nan 8.290 nan 0.000 0.501 454 H N -0.936 118.036 119.070 -0.165 0.000 2.529 454 H HA 0.431 4.988 4.556 0.000 0.000 0.277 454 H C 2.205 177.403 175.328 -0.217 0.000 1.004 454 H CA 0.262 56.229 56.048 -0.135 0.000 1.167 454 H CB 0.332 30.057 29.762 -0.062 0.000 1.445 454 H HN 0.447 nan 8.280 nan 0.000 0.554 455 L N -0.560 120.545 121.223 -0.196 0.000 2.672 455 L HA 0.074 4.413 4.340 -0.000 0.000 0.236 455 L C 1.064 177.807 176.870 -0.212 0.000 1.092 455 L CA 0.035 54.696 54.840 -0.298 0.000 0.887 455 L CB 0.346 42.161 42.059 -0.407 0.000 1.168 455 L HN 0.156 nan 8.230 nan 0.000 0.502 456 D N 1.449 121.746 120.400 -0.172 0.000 2.158 456 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 456 D C 2.082 178.321 176.300 -0.101 0.000 0.995 456 D CA 1.701 55.623 54.000 -0.130 0.000 0.846 456 D CB -0.099 40.632 40.800 -0.117 0.000 0.941 456 D HN 0.354 nan 8.370 nan 0.000 0.456 457 G N 0.745 109.489 108.800 -0.093 0.000 2.402 457 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.216 457 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.216 457 G C 0.917 175.769 174.900 -0.081 0.000 1.162 457 G CA 0.051 45.107 45.100 -0.072 0.000 0.777 457 G HN 0.256 nan 8.290 nan 0.000 0.539 458 I N 1.857 122.360 120.570 -0.111 0.000 2.692 458 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 458 I C 0.616 176.677 176.117 -0.094 0.000 1.159 458 I CA -0.561 60.674 61.300 -0.108 0.000 1.423 458 I CB 0.820 38.723 38.000 -0.163 0.000 1.380 458 I HN 0.401 nan 8.210 nan 0.000 0.580 459 E N 4.568 124.730 120.200 -0.063 0.000 2.409 459 E HA 0.048 4.398 4.350 -0.000 0.000 0.257 459 E C 0.438 177.007 176.600 -0.052 0.000 1.150 459 E CA -0.639 55.731 56.400 -0.048 0.000 0.942 459 E CB 0.773 30.455 29.700 -0.029 0.000 0.979 459 E HN 0.464 nan 8.360 nan 0.000 0.447 460 L N 1.739 122.937 121.223 -0.041 0.000 2.313 460 L HA -0.111 4.229 4.340 -0.000 0.000 0.214 460 L C 2.148 179.005 176.870 -0.022 0.000 1.119 460 L CA 1.762 56.578 54.840 -0.040 0.000 0.809 460 L CB -0.290 41.751 42.059 -0.029 0.000 0.933 460 L HN 0.785 nan 8.230 nan 0.000 0.449 461 S N -1.786 113.908 115.700 -0.010 0.000 2.446 461 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 461 S C 2.041 176.651 174.600 0.016 0.000 1.016 461 S CA 0.093 58.295 58.200 0.003 0.000 0.943 461 S CB -0.349 62.855 63.200 0.006 0.000 0.786 461 S HN 0.367 nan 8.310 nan 0.000 0.508 462 R N 0.495 121.004 120.500 0.015 0.000 2.276 462 R HA 0.203 4.543 4.340 -0.000 0.000 0.203 462 R C 1.371 177.723 176.300 0.086 0.000 1.017 462 R CA 0.292 56.419 56.100 0.045 0.000 1.010 462 R CB -0.341 29.981 30.300 0.037 0.000 0.900 462 R HN 0.397 nan 8.270 nan 0.000 0.469 463 I N 0.309 120.902 120.570 0.038 0.000 2.530 463 I HA -0.161 4.009 4.170 -0.000 0.000 0.257 463 I C 2.249 178.449 176.117 0.138 0.000 1.179 463 I CA 1.091 62.421 61.300 0.049 0.000 1.440 463 I CB -1.614 36.355 38.000 -0.053 0.000 1.087 463 I HN 0.174 nan 8.210 nan 0.000 0.440 464 G N 2.012 110.871 108.800 0.099 0.000 2.666 464 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 464 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 464 G C 1.382 176.366 174.900 0.140 0.000 1.294 464 G CA 0.874 46.034 45.100 0.099 0.000 0.811 464 G HN 0.602 nan 8.290 nan 0.000 0.594 465 E N -0.143 120.133 120.200 0.126 0.000 2.331 465 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 465 E C 2.059 178.772 176.600 0.188 0.000 1.008 465 E CA 0.853 57.330 56.400 0.129 0.000 0.843 465 E CB -0.409 29.348 29.700 0.095 0.000 0.761 465 E HN 0.459 nan 8.360 nan 0.000 0.507 466 F N 2.380 122.391 119.950 0.101 0.000 2.075 466 F HA -0.199 4.328 4.527 0.000 0.000 0.297 466 F C 2.395 178.346 175.800 0.252 0.000 1.113 466 F CA 2.251 60.344 58.000 0.155 0.000 1.218 466 F CB -0.223 38.825 39.000 0.080 0.000 0.984 466 F HN 0.029 nan 8.300 nan 0.000 0.472 467 E N -0.151 120.270 120.200 0.368 0.000 2.049 467 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 467 E C 2.288 178.958 176.600 0.118 0.000 1.007 467 E CA 1.817 58.383 56.400 0.278 0.000 0.809 467 E CB -0.381 29.477 29.700 0.263 0.000 0.749 467 E HN 0.449 nan 8.360 nan 0.000 0.450 468 S N 0.161 115.921 115.700 0.100 0.000 2.365 468 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 468 S C 2.121 176.740 174.600 0.031 0.000 1.039 468 S CA 1.574 59.807 58.200 0.056 0.000 1.033 468 S CB -0.221 63.017 63.200 0.062 0.000 0.887 468 S HN 0.299 nan 8.310 nan 0.000 0.447 469 S N 0.779 116.520 115.700 0.068 0.000 2.414 469 S HA 0.070 4.540 4.470 -0.000 0.000 0.227 469 S C 1.487 176.048 174.600 -0.065 0.000 1.022 469 S CA 0.408 58.671 58.200 0.105 0.000 0.958 469 S CB -0.357 63.008 63.200 0.274 0.000 0.797 469 S HN 0.494 nan 8.310 nan 0.000 0.493 470 F N 2.802 122.521 119.950 -0.384 0.000 2.075 470 F HA 0.032 4.559 4.527 0.000 0.000 0.297 470 F C 1.787 177.336 175.800 -0.418 0.000 1.113 470 F CA 0.910 58.466 58.000 -0.740 0.000 1.218 470 F CB -0.810 37.809 39.000 -0.636 0.000 0.984 470 F HN 0.097 nan 8.300 nan 0.000 0.472 471 L N -0.167 120.883 121.223 -0.288 0.000 2.056 471 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 471 L C 2.720 179.426 176.870 -0.272 0.000 1.078 471 L CA 1.589 56.225 54.840 -0.339 0.000 0.749 471 L CB -0.913 41.038 42.059 -0.179 0.000 0.901 471 L HN 0.304 nan 8.230 nan 0.000 0.433 472 S N -0.789 114.810 115.700 -0.168 0.000 2.402 472 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 472 S C 2.017 176.538 174.600 -0.132 0.000 1.021 472 S CA 1.047 59.173 58.200 -0.122 0.000 0.974 472 S CB -0.761 62.407 63.200 -0.054 0.000 0.800 472 S HN 0.528 nan 8.310 nan 0.000 0.484 473 Y N 2.343 122.471 120.300 -0.288 0.000 2.163 473 Y HA 0.105 4.655 4.550 -0.000 0.000 0.288 473 Y C 1.961 177.712 175.900 -0.248 0.000 1.136 473 Y CA 1.149 59.076 58.100 -0.288 0.000 1.147 473 Y CB -0.688 37.477 38.460 -0.492 0.000 0.987 473 Y HN 0.205 nan 8.280 nan 0.000 0.509 474 L N 0.521 121.277 121.223 -0.779 0.000 2.081 474 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 474 L C 2.561 179.159 176.870 -0.453 0.000 1.080 474 L CA 1.892 56.292 54.840 -0.732 0.000 0.754 474 L CB -0.511 41.114 42.059 -0.723 0.000 0.893 474 L HN 0.215 nan 8.230 nan 0.000 0.433 475 K N -0.635 119.556 120.400 -0.349 0.000 2.009 475 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 475 K C 2.236 178.704 176.600 -0.219 0.000 1.049 475 K CA 1.901 58.045 56.287 -0.238 0.000 0.929 475 K CB -0.129 32.263 32.500 -0.180 0.000 0.714 475 K HN 0.237 nan 8.250 nan 0.000 0.440 476 S N 1.023 116.591 115.700 -0.221 0.000 2.345 476 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 476 S C 1.416 175.870 174.600 -0.242 0.000 1.031 476 S CA 1.074 59.167 58.200 -0.178 0.000 0.984 476 S CB -0.188 62.947 63.200 -0.108 0.000 0.874 476 S HN 0.322 nan 8.310 nan 0.000 0.451 477 N N 0.081 118.548 118.700 -0.389 0.000 2.280 477 N HA 0.075 4.815 4.740 -0.000 0.000 0.192 477 N C -0.178 174.787 175.510 -0.908 0.000 1.109 477 N CA 0.458 53.174 53.050 -0.557 0.000 0.855 477 N CB 0.342 38.530 38.487 -0.498 0.000 0.974 477 N HN 0.458 nan 8.380 nan 0.000 0.482 478 H N -1.157 117.704 119.070 -0.350 0.000 3.234 478 H HA 0.111 4.667 4.556 0.000 0.000 0.253 478 H C 0.485 175.670 175.328 -0.240 0.000 1.171 478 H CA -0.248 55.629 56.048 -0.284 0.000 0.990 478 H CB -0.041 29.512 29.762 -0.348 0.000 2.344 478 H HN 0.068 nan 8.280 nan 0.000 0.713 479 N N 1.595 120.204 118.700 -0.152 0.000 2.405 479 N HA -0.158 4.582 4.740 -0.000 0.000 0.189 479 N C 1.576 177.028 175.510 -0.097 0.000 1.021 479 N CA 1.375 54.346 53.050 -0.132 0.000 0.891 479 N CB 0.364 38.775 38.487 -0.127 0.000 0.955 479 N HN 0.514 nan 8.380 nan 0.000 0.443 480 E N -0.299 119.854 120.200 -0.078 0.000 2.076 480 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 480 E C 1.948 178.516 176.600 -0.054 0.000 0.979 480 E CA 0.797 57.162 56.400 -0.058 0.000 0.807 480 E CB -0.153 29.519 29.700 -0.046 0.000 0.761 480 E HN 0.478 nan 8.360 nan 0.000 0.454 481 L N 0.897 122.087 121.223 -0.055 0.000 2.027 481 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 481 L C 2.673 179.491 176.870 -0.088 0.000 1.074 481 L CA 0.946 55.742 54.840 -0.072 0.000 0.745 481 L CB -0.852 41.147 42.059 -0.099 0.000 0.898 481 L HN 0.053 nan 8.230 nan 0.000 0.433 482 L N -0.116 121.042 121.223 -0.108 0.000 2.043 482 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 482 L C 2.747 179.568 176.870 -0.082 0.000 1.075 482 L CA 1.768 56.540 54.840 -0.112 0.000 0.752 482 L CB -1.147 40.828 42.059 -0.140 0.000 0.891 482 L HN 0.317 nan 8.230 nan 0.000 0.432 483 T N -1.098 113.411 114.554 -0.074 0.000 2.746 483 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 483 T C 1.809 176.484 174.700 -0.042 0.000 1.039 483 T CA 1.527 63.593 62.100 -0.057 0.000 1.142 483 T CB -0.116 68.719 68.868 -0.055 0.000 0.866 483 T HN 0.357 nan 8.240 nan 0.000 0.444 484 E N 0.291 120.466 120.200 -0.042 0.000 2.072 484 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 484 E C 2.103 178.688 176.600 -0.025 0.000 0.985 484 E CA 0.831 57.212 56.400 -0.031 0.000 0.801 484 E CB -0.182 29.498 29.700 -0.033 0.000 0.750 484 E HN 0.480 nan 8.360 nan 0.000 0.452 485 I N 0.553 121.102 120.570 -0.034 0.000 2.127 485 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 485 I C 2.778 178.890 176.117 -0.008 0.000 1.075 485 I CA 1.353 62.638 61.300 -0.024 0.000 1.334 485 I CB -0.338 37.640 38.000 -0.037 0.000 1.040 485 I HN 0.079 nan 8.210 nan 0.000 0.405 486 R N 0.856 121.347 120.500 -0.015 0.000 2.127 486 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 486 R C 2.005 178.314 176.300 0.014 0.000 1.134 486 R CA 1.726 57.826 56.100 0.000 0.000 0.975 486 R CB -0.016 30.270 30.300 -0.024 0.000 0.865 486 R HN 0.470 nan 8.270 nan 0.000 0.447 487 E N -0.419 119.782 120.200 0.001 0.000 2.079 487 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 487 E C 1.934 178.540 176.600 0.010 0.000 0.961 487 E CA 0.475 56.879 56.400 0.007 0.000 0.823 487 E CB 0.198 29.896 29.700 -0.003 0.000 0.789 487 E HN 0.239 nan 8.360 nan 0.000 0.459 488 K N -0.152 120.250 120.400 0.003 0.000 2.155 488 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 488 K C 1.422 178.028 176.600 0.009 0.000 1.052 488 K CA 0.904 57.194 56.287 0.004 0.000 0.948 488 K CB 0.106 32.606 32.500 -0.001 0.000 0.728 488 K HN 0.310 nan 8.250 nan 0.000 0.448 489 G N 1.782 110.588 108.800 0.010 0.000 2.184 489 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 489 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 489 G C -0.095 174.814 174.900 0.014 0.000 0.975 489 G CA 0.764 45.873 45.100 0.015 0.000 0.642 489 G HN 0.427 nan 8.290 nan 0.000 0.536 490 E N -1.298 118.908 120.200 0.011 0.000 2.445 490 E HA 0.723 5.073 4.350 -0.000 0.000 0.273 490 E C -0.567 176.038 176.600 0.008 0.000 0.961 490 E CA -1.056 55.352 56.400 0.014 0.000 0.807 490 E CB 1.613 31.321 29.700 0.014 0.000 1.362 490 E HN 0.126 nan 8.360 nan 0.000 0.453 491 L N 1.786 123.018 121.223 0.014 0.000 2.319 491 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 491 L C -0.329 176.547 176.870 0.011 0.000 1.005 491 L CA -0.725 54.120 54.840 0.007 0.000 0.828 491 L CB 1.600 43.669 42.059 0.015 0.000 1.227 491 L HN 0.474 nan 8.230 nan 0.000 0.415 492 S N 1.818 117.519 115.700 0.001 0.000 2.580 492 S HA 0.093 4.563 4.470 -0.000 0.000 0.266 492 S C 1.131 175.737 174.600 0.010 0.000 1.354 492 S CA -0.660 57.543 58.200 0.005 0.000 1.008 492 S CB 0.961 64.159 63.200 -0.002 0.000 0.898 492 S HN 0.554 nan 8.310 nan 0.000 0.555 493 K N 1.159 121.568 120.400 0.016 0.000 2.209 493 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 493 K C 1.573 178.183 176.600 0.016 0.000 1.048 493 K CA 1.349 57.650 56.287 0.023 0.000 0.940 493 K CB -0.175 32.340 32.500 0.024 0.000 0.729 493 K HN 0.517 nan 8.250 nan 0.000 0.451 494 E N 1.365 121.569 120.200 0.007 0.000 2.028 494 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 494 E C 1.983 178.573 176.600 -0.016 0.000 0.984 494 E CA 0.596 56.995 56.400 -0.000 0.000 0.800 494 E CB -0.314 29.385 29.700 -0.001 0.000 0.758 494 E HN 0.111 nan 8.360 nan 0.000 0.448 495 L N 0.407 121.615 121.223 -0.025 0.000 2.129 495 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 495 L C 2.096 178.912 176.870 -0.091 0.000 1.087 495 L CA 0.928 55.735 54.840 -0.055 0.000 0.757 495 L CB -0.226 41.803 42.059 -0.049 0.000 0.896 495 L HN 0.204 nan 8.230 nan 0.000 0.434 496 L N -1.232 119.959 121.223 -0.053 0.000 2.156 496 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 496 L C 2.677 179.524 176.870 -0.039 0.000 1.095 496 L CA 0.973 55.782 54.840 -0.052 0.000 0.770 496 L CB -0.620 41.476 42.059 0.061 0.000 0.914 496 L HN 0.226 nan 8.230 nan 0.000 0.439 497 A N -0.943 121.871 122.820 -0.010 0.000 2.016 497 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 497 A C 2.473 180.040 177.584 -0.028 0.000 1.162 497 A CA 1.261 53.303 52.037 0.008 0.000 0.662 497 A CB -0.262 18.751 19.000 0.022 0.000 0.812 497 A HN 0.303 nan 8.150 nan 0.000 0.450 498 S N -0.119 115.546 115.700 -0.059 0.000 2.343 498 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 498 S C 1.859 176.367 174.600 -0.153 0.000 1.033 498 S CA 1.544 59.695 58.200 -0.081 0.000 1.014 498 S CB -0.440 62.712 63.200 -0.079 0.000 0.915 498 S HN 0.406 nan 8.310 nan 0.000 0.435 499 L N 2.053 123.142 121.223 -0.223 0.000 1.994 499 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 499 L C 2.296 179.033 176.870 -0.222 0.000 1.071 499 L CA 1.858 56.513 54.840 -0.309 0.000 0.745 499 L CB -0.783 40.958 42.059 -0.531 0.000 0.892 499 L HN 0.216 nan 8.230 nan 0.000 0.431 500 K N -1.182 119.109 120.400 -0.182 0.000 2.052 500 K HA -0.282 4.038 4.320 -0.000 0.000 0.215 500 K C 2.365 178.967 176.600 0.004 0.000 1.053 500 K CA 2.126 58.447 56.287 0.058 0.000 0.934 500 K CB -0.423 32.174 32.500 0.161 0.000 0.717 500 K HN 0.420 nan 8.250 nan 0.000 0.450 501 S N -0.404 115.289 115.700 -0.012 0.000 2.382 501 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 501 S C 1.995 176.599 174.600 0.007 0.000 1.027 501 S CA 1.239 59.443 58.200 0.006 0.000 0.991 501 S CB -0.301 62.909 63.200 0.017 0.000 0.823 501 S HN 0.459 nan 8.310 nan 0.000 0.469 502 A N 0.554 123.328 122.820 -0.077 0.000 1.968 502 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 502 A C 2.350 180.044 177.584 0.184 0.000 1.169 502 A CA 1.879 53.842 52.037 -0.124 0.000 0.638 502 A CB -1.348 17.201 19.000 -0.752 0.000 0.812 502 A HN 0.607 nan 8.150 nan 0.000 0.446 503 T N 0.017 114.648 114.554 0.129 0.000 2.668 503 T HA -0.121 4.229 4.350 -0.000 0.000 0.262 503 T C 1.749 176.425 174.700 -0.041 0.000 1.045 503 T CA 1.584 63.746 62.100 0.104 0.000 1.152 503 T CB -0.299 68.562 68.868 -0.012 0.000 0.864 503 T HN 0.623 nan 8.240 nan 0.000 0.419 504 E N 0.793 120.910 120.200 -0.139 0.000 2.209 504 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 504 E C 2.390 178.982 176.600 -0.014 0.000 0.993 504 E CA 0.955 57.285 56.400 -0.116 0.000 0.819 504 E CB -0.119 29.544 29.700 -0.062 0.000 0.745 504 E HN 0.293 nan 8.360 nan 0.000 0.477 505 S N -0.347 115.386 115.700 0.055 0.000 2.371 505 S HA -0.125 4.344 4.470 -0.000 0.000 0.224 505 S C 1.594 176.236 174.600 0.070 0.000 1.029 505 S CA 0.671 58.926 58.200 0.091 0.000 0.978 505 S CB -0.162 63.151 63.200 0.189 0.000 0.833 505 S HN 0.301 nan 8.310 nan 0.000 0.466 506 F N 1.770 121.670 119.950 -0.085 0.000 2.206 506 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 506 F C 2.050 177.755 175.800 -0.159 0.000 1.090 506 F CA 0.731 58.594 58.000 -0.228 0.000 1.323 506 F CB -0.479 38.412 39.000 -0.182 0.000 1.028 506 F HN 0.031 nan 8.300 nan 0.000 0.492 507 V N 0.041 119.879 119.914 -0.127 0.000 2.453 507 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 507 V C 2.664 178.669 176.094 -0.149 0.000 1.048 507 V CA 1.566 63.781 62.300 -0.142 0.000 1.049 507 V CB -1.292 30.502 31.823 -0.049 0.000 0.672 507 V HN 0.397 nan 8.190 nan 0.000 0.457 508 A N -1.118 121.638 122.820 -0.107 0.000 1.969 508 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 508 A C 2.336 179.843 177.584 -0.129 0.000 1.169 508 A CA 2.258 54.242 52.037 -0.087 0.000 0.635 508 A CB -0.633 18.341 19.000 -0.044 0.000 0.810 508 A HN 0.438 nan 8.150 nan 0.000 0.445 509 T N -2.359 112.078 114.554 -0.195 0.000 3.144 509 T HA 0.476 4.826 4.350 -0.000 0.000 0.249 509 T C -0.064 174.435 174.700 -0.336 0.000 1.089 509 T CA 1.011 62.978 62.100 -0.222 0.000 0.989 509 T CB -0.945 67.815 68.868 -0.179 0.000 0.992 509 T HN 0.890 nan 8.240 nan 0.000 0.540 510 F N 0.000 119.717 119.950 -0.388 0.000 2.286 510 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 510 F CA 0.000 nan 58.000 nan 0.000 1.383 510 F CB 0.000 nan 39.000 nan 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574