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 3oe7_1_J 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 AXXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.487 175.510 -0.038 0.000 1.280 26 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 26 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 27 L N -0.084 121.104 121.223 -0.058 0.000 5.174 27 L HA -0.299 4.042 4.340 0.000 0.000 0.420 27 L C 0.448 177.237 176.870 -0.134 0.000 0.973 27 L CA 1.064 55.832 54.840 -0.120 0.000 1.381 27 L CB -1.719 40.247 42.059 -0.155 0.000 1.819 27 L HN 0.369 nan 8.230 nan 0.000 0.645 28 N N 0.234 118.880 118.700 -0.090 0.000 2.278 28 N HA -0.024 4.716 4.740 0.000 0.000 0.181 28 N C 1.415 176.879 175.510 -0.077 0.000 1.023 28 N CA 1.429 54.430 53.050 -0.081 0.000 0.862 28 N CB 0.108 38.561 38.487 -0.056 0.000 1.003 28 N HN 0.460 nan 8.380 nan 0.000 0.431 29 E N 0.121 120.281 120.200 -0.067 0.000 2.498 29 E HA 0.107 4.457 4.350 0.000 0.000 0.203 29 E C 0.286 176.840 176.600 -0.076 0.000 1.013 29 E CA 0.214 56.575 56.400 -0.064 0.000 0.927 29 E CB 0.751 30.422 29.700 -0.048 0.000 1.012 29 E HN 0.373 nan 8.360 nan 0.000 0.482 30 T N -2.118 112.387 114.554 -0.082 0.000 2.864 30 T HA 0.801 5.151 4.350 0.000 0.000 0.289 30 T C 0.211 174.851 174.700 -0.099 0.000 1.082 30 T CA -0.822 61.227 62.100 -0.084 0.000 1.009 30 T CB 2.500 71.334 68.868 -0.056 0.000 1.234 30 T HN 0.007 nan 8.240 nan 0.000 0.526 31 G N 0.111 108.861 108.800 -0.083 0.000 2.698 31 G HA2 0.612 4.572 3.960 0.000 0.000 0.293 31 G HA3 0.612 4.572 3.960 0.000 0.000 0.293 31 G C -1.588 173.318 174.900 0.009 0.000 1.437 31 G CA -1.023 44.039 45.100 -0.064 0.000 0.852 31 G HN 0.641 nan 8.290 nan 0.000 0.499 32 R N 0.249 120.801 120.500 0.086 0.000 2.532 32 R HA 0.511 4.851 4.340 0.000 0.000 0.295 32 R C -0.424 175.964 176.300 0.146 0.000 0.968 32 R CA -0.788 55.386 56.100 0.122 0.000 0.916 32 R CB 2.171 32.559 30.300 0.148 0.000 1.124 32 R HN 0.316 nan 8.270 nan 0.000 0.463 33 V N 5.086 125.083 119.914 0.138 0.000 2.446 33 V HA 0.015 4.135 4.120 0.000 0.000 0.276 33 V C 1.956 178.110 176.094 0.101 0.000 1.030 33 V CA 0.198 62.583 62.300 0.141 0.000 1.033 33 V CB 0.452 32.364 31.823 0.149 0.000 0.993 33 V HN 0.665 nan 8.190 nan 0.000 0.477 34 L N 4.098 125.381 121.223 0.099 0.000 2.007 34 L HA 0.230 4.570 4.340 0.000 0.000 0.205 34 L C 1.031 177.921 176.870 0.034 0.000 1.073 34 L CA 1.575 56.451 54.840 0.060 0.000 0.744 34 L CB -0.061 42.036 42.059 0.065 0.000 0.898 34 L HN 0.771 nan 8.230 nan 0.000 0.435 35 A N -1.060 121.780 122.820 0.033 0.000 2.547 35 A HA 0.610 4.930 4.320 0.000 0.000 0.297 35 A C -1.634 175.951 177.584 0.002 0.000 1.056 35 A CA -0.320 51.723 52.037 0.011 0.000 0.688 35 A CB 2.044 21.047 19.000 0.004 0.000 1.282 35 A HN -0.134 nan 8.150 nan 0.000 0.400 36 V N 0.879 120.781 119.914 -0.020 0.000 2.760 36 V HA 0.954 5.074 4.120 0.000 0.000 0.309 36 V C -0.114 175.951 176.094 -0.048 0.000 1.077 36 V CA 0.774 63.045 62.300 -0.048 0.000 0.910 36 V CB 1.929 33.700 31.823 -0.087 0.000 1.008 36 V HN 2.261 nan 8.190 nan 0.000 0.424 37 G N 3.471 112.240 108.800 -0.052 0.000 2.498 37 G HA2 0.477 4.437 3.960 0.000 0.000 0.301 37 G HA3 0.477 4.437 3.960 0.000 0.000 0.301 37 G C -0.878 173.997 174.900 -0.041 0.000 1.577 37 G CA 0.029 45.103 45.100 -0.043 0.000 0.868 37 G HN 0.912 nan 8.290 nan 0.000 0.599 38 D N -0.248 120.131 120.400 -0.036 0.000 2.751 38 D HA -0.176 4.464 4.640 0.000 0.000 0.233 38 D C 1.610 177.890 176.300 -0.033 0.000 1.149 38 D CA 2.695 56.677 54.000 -0.030 0.000 0.682 38 D CB -1.241 39.543 40.800 -0.027 0.000 1.068 38 D HN 2.309 nan 8.370 nan 0.000 0.429 39 G N -0.884 107.890 108.800 -0.044 0.000 2.153 39 G HA2 -0.292 3.668 3.960 0.000 0.000 0.252 39 G HA3 -0.292 3.668 3.960 0.000 0.000 0.252 39 G C 0.150 175.017 174.900 -0.055 0.000 0.994 39 G CA 0.369 45.440 45.100 -0.048 0.000 0.698 39 G HN 0.512 nan 8.290 nan 0.000 0.521 40 I N 0.593 121.130 120.570 -0.056 0.000 2.418 40 I HA 0.670 4.840 4.170 0.000 0.000 0.287 40 I C 0.414 176.503 176.117 -0.048 0.000 1.008 40 I CA -1.018 60.254 61.300 -0.046 0.000 1.104 40 I CB 1.406 39.384 38.000 -0.036 0.000 1.264 40 I HN 0.296 nan 8.210 nan 0.000 0.438 41 A N 7.277 130.078 122.820 -0.031 0.000 2.288 41 A HA 0.678 4.998 4.320 0.000 0.000 0.320 41 A C -0.022 177.598 177.584 0.059 0.000 1.217 41 A CA -0.678 51.362 52.037 0.005 0.000 0.840 41 A CB 0.668 19.676 19.000 0.013 0.000 1.179 41 A HN 0.706 nan 8.150 nan 0.000 0.504 42 R N 1.457 121.987 120.500 0.051 0.000 2.221 42 R HA 0.511 4.851 4.340 0.000 0.000 0.327 42 R C -1.203 175.155 176.300 0.096 0.000 1.033 42 R CA -0.228 55.909 56.100 0.062 0.000 0.887 42 R CB 1.451 31.777 30.300 0.043 0.000 1.057 42 R HN 0.450 nan 8.270 nan 0.000 0.455 43 V N 5.063 125.037 119.914 0.100 0.000 2.444 43 V HA 0.237 4.357 4.120 0.000 0.000 0.294 43 V C -0.584 175.582 176.094 0.121 0.000 1.022 43 V CA -0.875 61.493 62.300 0.114 0.000 0.850 43 V CB 1.320 33.192 31.823 0.082 0.000 0.992 43 V HN 0.559 nan 8.190 nan 0.000 0.426 44 F N 4.967 124.924 119.950 0.012 0.000 2.456 44 F HA 0.687 5.214 4.527 0.000 0.000 0.358 44 F C 0.867 176.664 175.800 -0.005 0.000 1.095 44 F CA 1.446 59.448 58.000 0.003 0.000 1.216 44 F CB 0.576 39.578 39.000 0.004 0.000 1.125 44 F HN 0.898 nan 8.300 nan 0.000 0.549 45 G N 4.329 112.655 108.800 -0.791 0.000 2.443 45 G HA2 -0.135 3.825 3.960 0.000 0.000 0.209 45 G HA3 -0.135 3.825 3.960 0.000 0.000 0.209 45 G C -0.036 174.678 174.900 -0.311 0.000 1.176 45 G CA -0.507 44.213 45.100 -0.633 0.000 1.074 45 G HN 1.344 nan 8.290 nan 0.000 0.577 46 L N 0.062 121.155 121.223 -0.216 0.000 3.739 46 L HA -0.243 4.097 4.340 0.000 0.000 0.442 46 L C 1.700 178.490 176.870 -0.133 0.000 1.241 46 L CA 0.527 55.278 54.840 -0.148 0.000 0.819 46 L CB -1.639 40.344 42.059 -0.126 0.000 1.679 46 L HN 0.643 nan 8.230 nan 0.000 0.889 47 N N 0.570 119.182 118.700 -0.146 0.000 2.061 47 N HA -0.150 4.590 4.740 0.000 0.000 0.193 47 N C 1.239 176.703 175.510 -0.077 0.000 1.030 47 N CA 1.958 54.939 53.050 -0.115 0.000 0.856 47 N CB -0.248 38.173 38.487 -0.111 0.000 1.023 47 N HN 0.588 nan 8.380 nan 0.000 0.424 48 N N 0.875 119.533 118.700 -0.070 0.000 2.521 48 N HA 0.063 4.803 4.740 0.000 0.000 0.188 48 N C 0.578 176.060 175.510 -0.046 0.000 1.146 48 N CA -0.065 52.954 53.050 -0.051 0.000 0.893 48 N CB 0.167 38.627 38.487 -0.046 0.000 0.975 48 N HN 0.364 nan 8.380 nan 0.000 0.451 49 I N 1.163 121.700 120.570 -0.055 0.000 2.754 49 I HA -0.108 4.062 4.170 0.000 0.000 0.285 49 I C 0.260 176.357 176.117 -0.033 0.000 1.166 49 I CA -0.042 61.228 61.300 -0.049 0.000 1.417 49 I CB 0.631 38.594 38.000 -0.062 0.000 1.382 49 I HN 0.041 nan 8.210 nan 0.000 0.588 50 Q N 5.168 124.953 119.800 -0.025 0.000 2.230 50 Q HA 0.482 4.822 4.340 0.000 0.000 0.248 50 Q C -0.210 175.785 176.000 -0.008 0.000 0.915 50 Q CA -0.916 54.879 55.803 -0.013 0.000 0.900 50 Q CB 1.426 30.159 28.738 -0.007 0.000 1.229 50 Q HN 0.768 nan 8.270 nan 0.000 0.439 51 A N 2.620 125.441 122.820 0.000 0.000 2.526 51 A HA -0.012 4.308 4.320 0.000 0.000 0.267 51 A C 0.122 177.715 177.584 0.015 0.000 1.095 51 A CA 0.548 52.591 52.037 0.009 0.000 0.775 51 A CB -0.501 18.509 19.000 0.017 0.000 1.036 51 A HN 0.980 nan 8.150 nan 0.000 0.510 52 E N -0.262 119.948 120.200 0.017 0.000 4.027 52 E HA -0.172 4.178 4.350 0.000 0.000 0.338 52 E C 0.178 176.799 176.600 0.036 0.000 0.738 52 E CA 1.009 57.430 56.400 0.034 0.000 1.334 52 E CB -1.509 28.217 29.700 0.043 0.000 1.687 52 E HN 0.982 nan 8.360 nan 0.000 0.407 53 E N 0.960 121.168 120.200 0.013 0.000 2.390 53 E HA 0.280 4.630 4.350 0.000 0.000 0.261 53 E C -0.290 176.310 176.600 0.000 0.000 1.076 53 E CA -0.419 55.986 56.400 0.008 0.000 0.905 53 E CB 0.614 30.307 29.700 -0.012 0.000 0.984 53 E HN 0.033 nan 8.360 nan 0.000 0.427 54 L N 3.461 124.694 121.223 0.017 0.000 2.439 54 L HA 0.270 4.610 4.340 0.000 0.000 0.261 54 L C -0.254 176.581 176.870 -0.060 0.000 1.153 54 L CA -0.002 54.843 54.840 0.008 0.000 0.808 54 L CB 1.404 43.516 42.059 0.088 0.000 1.126 54 L HN 0.483 nan 8.230 nan 0.000 0.460 55 V N -1.386 118.458 119.914 -0.117 0.000 3.141 55 V HA 0.712 4.832 4.120 0.000 0.000 0.312 55 V C -0.911 175.056 176.094 -0.212 0.000 1.157 55 V CA -0.824 61.344 62.300 -0.220 0.000 1.041 55 V CB 1.902 33.489 31.823 -0.394 0.000 1.071 55 V HN 0.759 nan 8.190 nan 0.000 0.441 56 E N 0.430 120.463 120.200 -0.280 0.000 2.246 56 E HA 0.579 4.929 4.350 0.000 0.000 0.266 56 E C -1.889 174.562 176.600 -0.248 0.000 0.880 56 E CA -0.602 55.712 56.400 -0.145 0.000 0.762 56 E CB 1.933 31.608 29.700 -0.042 0.000 1.180 56 E HN 0.610 nan 8.360 nan 0.000 0.416 57 F N 1.273 121.224 119.950 0.001 0.000 2.380 57 F HA 0.193 4.720 4.527 0.000 0.000 0.321 57 F C 1.853 177.658 175.800 0.008 0.000 1.103 57 F CA -0.315 57.686 58.000 0.001 0.000 1.067 57 F CB 1.403 40.401 39.000 -0.003 0.000 1.265 57 F HN 0.475 nan 8.300 nan 0.000 0.517 58 S N 0.068 115.889 115.700 0.202 0.000 2.392 58 S HA -0.232 4.238 4.470 0.000 0.000 0.232 58 S C 2.141 176.801 174.600 0.100 0.000 1.041 58 S CA 1.792 60.060 58.200 0.114 0.000 1.026 58 S CB -0.532 62.727 63.200 0.098 0.000 0.845 58 S HN 0.746 nan 8.310 nan 0.000 0.465 59 S N 0.034 115.806 115.700 0.120 0.000 2.406 59 S HA 0.275 4.745 4.470 0.000 0.000 0.228 59 S C 1.691 176.340 174.600 0.083 0.000 1.020 59 S CA 1.088 59.337 58.200 0.082 0.000 0.965 59 S CB -0.148 63.087 63.200 0.059 0.000 0.798 59 S HN 0.762 nan 8.310 nan 0.000 0.488 60 G N 0.079 108.947 108.800 0.115 0.000 2.545 60 G HA2 -0.167 3.793 3.960 0.000 0.000 0.195 60 G HA3 -0.167 3.793 3.960 0.000 0.000 0.195 60 G C 0.074 175.057 174.900 0.138 0.000 1.009 60 G CA -0.177 44.985 45.100 0.104 0.000 0.703 60 G HN 0.777 nan 8.290 nan 0.000 0.479 61 V N 2.119 122.128 119.914 0.157 0.000 2.673 61 V HA 0.525 4.646 4.120 0.000 0.000 0.303 61 V C 0.505 176.784 176.094 0.308 0.000 1.046 61 V CA 0.608 63.017 62.300 0.181 0.000 1.126 61 V CB 1.015 32.891 31.823 0.089 0.000 0.934 61 V HN 0.372 nan 8.190 nan 0.000 0.487 62 K N 3.925 124.502 120.400 0.294 0.000 2.211 62 K HA 0.868 5.188 4.320 0.000 0.000 0.237 62 K C 0.016 176.668 176.600 0.086 0.000 1.002 62 K CA -0.028 56.427 56.287 0.280 0.000 0.885 62 K CB 1.963 34.655 32.500 0.320 0.000 1.136 62 K HN 0.925 nan 8.250 nan 0.000 0.448 63 G N 0.192 108.869 108.800 -0.204 0.000 2.663 63 G HA2 0.557 4.517 3.960 0.000 0.000 0.299 63 G HA3 0.557 4.517 3.960 0.000 0.000 0.299 63 G C -1.646 172.865 174.900 -0.649 0.000 1.372 63 G CA -0.949 43.701 45.100 -0.751 0.000 0.781 63 G HN 0.556 nan 8.290 nan 0.000 0.491 64 M N -0.758 118.526 119.600 -0.528 0.000 2.457 64 M HA 0.806 5.286 4.480 0.000 0.000 0.300 64 M C -0.462 175.780 176.300 -0.097 0.000 1.141 64 M CA -1.047 54.134 55.300 -0.198 0.000 0.901 64 M CB 2.623 35.201 32.600 -0.037 0.000 1.687 64 M HN 0.871 nan 8.290 nan 0.000 0.449 65 A N 3.702 126.489 122.820 -0.054 0.000 2.671 65 A HA 0.468 4.788 4.320 0.000 0.000 0.306 65 A C 0.445 178.020 177.584 -0.015 0.000 1.473 65 A CA -0.520 51.496 52.037 -0.035 0.000 1.155 65 A CB -0.584 18.393 19.000 -0.039 0.000 1.123 65 A HN 1.020 nan 8.150 nan 0.000 0.545 66 L N 1.109 122.322 121.223 -0.017 0.000 2.307 66 L HA 0.085 4.425 4.340 0.000 0.000 0.211 66 L C 0.297 177.166 176.870 -0.002 0.000 1.099 66 L CA 0.490 55.326 54.840 -0.006 0.000 0.816 66 L CB 0.085 42.130 42.059 -0.024 0.000 0.952 66 L HN 0.562 nan 8.230 nan 0.000 0.455 67 N N 0.271 118.967 118.700 -0.008 0.000 2.476 67 N HA 0.390 5.130 4.740 0.000 0.000 0.257 67 N C -1.226 174.283 175.510 -0.001 0.000 0.970 67 N CA -0.111 52.937 53.050 -0.003 0.000 0.938 67 N CB 1.106 39.588 38.487 -0.008 0.000 1.144 67 N HN -0.038 nan 8.380 nan 0.000 0.500 68 L N 2.090 123.314 121.223 0.001 0.000 2.265 68 L HA 0.475 4.815 4.340 0.000 0.000 0.289 68 L C 0.141 177.012 176.870 0.002 0.000 1.033 68 L CA -0.340 54.498 54.840 -0.003 0.000 0.814 68 L CB 0.871 42.927 42.059 -0.005 0.000 1.203 68 L HN 0.378 nan 8.230 nan 0.000 0.423 69 E N 3.855 124.057 120.200 0.004 0.000 2.343 69 E HA 0.387 4.737 4.350 0.000 0.000 0.270 69 E C -2.474 174.137 176.600 0.017 0.000 0.895 69 E CA -2.103 54.304 56.400 0.012 0.000 0.767 69 E CB 1.983 31.693 29.700 0.017 0.000 1.248 69 E HN 0.292 nan 8.360 nan 0.000 0.440 70 P HA -0.027 nan 4.420 nan 0.000 0.250 70 P C 0.397 177.730 177.300 0.054 0.000 1.161 70 P CA 1.273 64.391 63.100 0.029 0.000 0.863 70 P CB -0.197 31.519 31.700 0.027 0.000 0.827 71 G N 2.457 111.295 108.800 0.063 0.000 2.176 71 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 71 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 71 G C -0.115 174.893 174.900 0.180 0.000 0.979 71 G CA 0.315 45.501 45.100 0.142 0.000 0.641 71 G HN 0.722 nan 8.290 nan 0.000 0.530 72 Q N -1.808 118.043 119.800 0.086 0.000 2.633 72 Q HA 0.712 5.052 4.340 0.000 0.000 0.289 72 Q C -1.453 174.564 176.000 0.028 0.000 0.940 72 Q CA -1.163 54.689 55.803 0.081 0.000 0.785 72 Q CB 1.987 30.792 28.738 0.112 0.000 1.467 72 Q HN 0.565 nan 8.270 nan 0.000 0.401 73 V N 0.667 120.596 119.914 0.024 0.000 2.540 73 V HA 0.752 4.872 4.120 0.000 0.000 0.302 73 V C 0.114 176.219 176.094 0.018 0.000 1.035 73 V CA -0.257 62.046 62.300 0.005 0.000 0.873 73 V CB 1.801 33.612 31.823 -0.019 0.000 0.992 73 V HN 0.871 nan 8.190 nan 0.000 0.428 74 G N 4.842 113.647 108.800 0.007 0.000 2.457 74 G HA2 0.622 4.582 3.960 0.000 0.000 0.316 74 G HA3 0.622 4.582 3.960 0.000 0.000 0.316 74 G C -0.611 174.288 174.900 -0.001 0.000 1.030 74 G CA -0.215 44.887 45.100 0.004 0.000 1.073 74 G HN 0.608 nan 8.290 nan 0.000 0.430 75 I N 3.000 123.582 120.570 0.020 0.000 2.339 75 I HA 0.229 4.399 4.170 0.000 0.000 0.290 75 I C 0.388 176.499 176.117 -0.009 0.000 0.994 75 I CA -1.040 60.271 61.300 0.019 0.000 1.191 75 I CB 2.057 40.125 38.000 0.114 0.000 1.343 75 I HN 0.332 nan 8.210 nan 0.000 0.458 76 V N 6.044 125.918 119.914 -0.065 0.000 2.546 76 V HA 0.489 4.609 4.120 0.000 0.000 0.284 76 V C -0.074 175.929 176.094 -0.153 0.000 1.050 76 V CA -0.653 61.599 62.300 -0.080 0.000 0.981 76 V CB 1.121 32.908 31.823 -0.060 0.000 0.990 76 V HN 0.492 nan 8.190 nan 0.000 0.474 77 L N 4.353 125.516 121.223 -0.099 0.000 2.350 77 L HA 0.405 4.745 4.340 0.000 0.000 0.275 77 L C 0.689 177.578 176.870 0.032 0.000 1.099 77 L CA -0.444 54.332 54.840 -0.107 0.000 0.808 77 L CB 0.975 42.965 42.059 -0.115 0.000 1.149 77 L HN 0.615 nan 8.230 nan 0.000 0.442 78 F N 0.940 120.934 119.950 0.072 0.000 2.780 78 F HA 0.178 4.705 4.527 0.000 0.000 0.299 78 F C 1.348 177.176 175.800 0.046 0.000 1.146 78 F CA -0.279 57.763 58.000 0.070 0.000 1.428 78 F CB -0.241 38.811 39.000 0.086 0.000 1.115 78 F HN 0.521 nan 8.300 nan 0.000 0.583 79 G N -1.384 107.524 108.800 0.180 0.000 3.183 79 G HA2 0.358 4.318 3.960 0.000 0.000 0.247 79 G HA3 0.358 4.318 3.960 0.000 0.000 0.247 79 G C -0.947 173.974 174.900 0.035 0.000 1.211 79 G CA -0.486 44.674 45.100 0.100 0.000 0.835 79 G HN -0.075 nan 8.290 nan 0.000 0.604 80 S N -0.330 115.377 115.700 0.012 0.000 2.545 80 S HA 0.284 4.754 4.470 0.000 0.000 0.275 80 S C 0.850 175.417 174.600 -0.055 0.000 1.299 80 S CA 0.216 58.408 58.200 -0.013 0.000 1.048 80 S CB 0.902 64.099 63.200 -0.005 0.000 0.938 80 S HN 0.535 nan 8.310 nan 0.000 0.496 81 D N 3.473 123.832 120.400 -0.068 0.000 2.349 81 D HA -0.016 4.624 4.640 0.000 0.000 0.224 81 D C 1.519 177.768 176.300 -0.086 0.000 1.029 81 D CA 0.080 54.015 54.000 -0.109 0.000 0.879 81 D CB -0.112 40.624 40.800 -0.107 0.000 0.906 81 D HN 0.592 nan 8.370 nan 0.000 0.528 82 R N 0.575 121.042 120.500 -0.055 0.000 2.105 82 R HA -0.097 4.243 4.340 0.000 0.000 0.239 82 R C 1.661 177.934 176.300 -0.045 0.000 1.135 82 R CA 1.153 57.229 56.100 -0.039 0.000 0.967 82 R CB -0.229 30.057 30.300 -0.022 0.000 0.861 82 R HN 0.278 nan 8.270 nan 0.000 0.442 83 L N 0.424 121.614 121.223 -0.055 0.000 2.072 83 L HA 0.028 4.368 4.340 0.000 0.000 0.205 83 L C 0.747 177.577 176.870 -0.067 0.000 1.079 83 L CA 0.236 55.048 54.840 -0.047 0.000 0.752 83 L CB -0.256 41.782 42.059 -0.036 0.000 0.906 83 L HN -0.075 nan 8.230 nan 0.000 0.436 84 V N 1.342 121.171 119.914 -0.141 0.000 2.521 84 V HA 0.086 4.206 4.120 0.000 0.000 0.286 84 V C 0.217 176.258 176.094 -0.089 0.000 1.034 84 V CA 0.031 62.227 62.300 -0.172 0.000 1.045 84 V CB 0.455 32.038 31.823 -0.400 0.000 0.974 84 V HN 0.236 nan 8.190 nan 0.000 0.480 85 K N 2.708 123.088 120.400 -0.033 0.000 2.331 85 K HA 0.506 4.826 4.320 0.000 0.000 0.238 85 K C -0.310 176.296 176.600 0.011 0.000 1.058 85 K CA -0.931 55.348 56.287 -0.013 0.000 0.871 85 K CB 1.892 34.392 32.500 -0.001 0.000 1.292 85 K HN 0.740 nan 8.250 nan 0.000 0.470 86 E N 0.093 120.300 120.200 0.012 0.000 2.289 86 E HA 0.176 4.526 4.350 0.000 0.000 0.278 86 E C 0.240 176.860 176.600 0.034 0.000 1.032 86 E CA 0.468 56.883 56.400 0.024 0.000 0.854 86 E CB 0.515 30.222 29.700 0.012 0.000 1.046 86 E HN 0.751 nan 8.360 nan 0.000 0.409 87 G N 3.787 112.617 108.800 0.050 0.000 2.194 87 G HA2 -0.301 3.659 3.960 0.000 0.000 0.236 87 G HA3 -0.301 3.659 3.960 0.000 0.000 0.236 87 G C 0.220 175.158 174.900 0.064 0.000 0.987 87 G CA 0.261 45.391 45.100 0.051 0.000 0.635 87 G HN 0.638 nan 8.290 nan 0.000 0.520 88 E N 0.203 120.451 120.200 0.079 0.000 2.413 88 E HA 0.398 4.748 4.350 0.000 0.000 0.263 88 E C 0.441 177.105 176.600 0.106 0.000 1.015 88 E CA -0.614 55.845 56.400 0.098 0.000 0.916 88 E CB 0.391 30.170 29.700 0.131 0.000 0.947 88 E HN 0.435 nan 8.360 nan 0.000 0.440 89 L N 5.065 126.336 121.223 0.079 0.000 2.331 89 L HA 0.259 4.599 4.340 0.000 0.000 0.278 89 L C -1.243 175.631 176.870 0.007 0.000 1.106 89 L CA -0.254 54.611 54.840 0.041 0.000 0.824 89 L CB 1.182 43.255 42.059 0.023 0.000 1.142 89 L HN 0.288 nan 8.230 nan 0.000 0.443 90 V N 4.767 124.640 119.914 -0.069 0.000 2.495 90 V HA 0.490 4.610 4.120 0.000 0.000 0.298 90 V C -0.148 175.822 176.094 -0.208 0.000 1.031 90 V CA -0.897 61.256 62.300 -0.246 0.000 0.871 90 V CB 1.418 33.019 31.823 -0.369 0.000 0.988 90 V HN 0.690 nan 8.190 nan 0.000 0.432 91 K N 3.484 123.748 120.400 -0.227 0.000 2.138 91 K HA 0.599 4.919 4.320 0.000 0.000 0.263 91 K C -0.140 176.364 176.600 -0.161 0.000 0.965 91 K CA -0.714 55.484 56.287 -0.148 0.000 0.868 91 K CB 1.904 34.346 32.500 -0.097 0.000 1.083 91 K HN 0.561 nan 8.250 nan 0.000 0.443 92 R N 0.143 120.574 120.500 -0.115 0.000 2.615 92 R HA 0.096 4.436 4.340 0.000 0.000 0.270 92 R C 0.903 177.164 176.300 -0.065 0.000 1.081 92 R CA 0.153 56.197 56.100 -0.094 0.000 1.154 92 R CB 0.714 30.970 30.300 -0.074 0.000 1.063 92 R HN 0.821 nan 8.270 nan 0.000 0.519 93 T N -3.040 111.486 114.554 -0.047 0.000 2.955 93 T HA 0.181 4.531 4.350 0.000 0.000 0.251 93 T C 1.274 175.966 174.700 -0.013 0.000 1.002 93 T CA 0.287 62.374 62.100 -0.023 0.000 0.970 93 T CB 0.724 69.590 68.868 -0.004 0.000 1.091 93 T HN 0.789 nan 8.240 nan 0.000 0.495 94 G N 2.171 110.961 108.800 -0.017 0.000 2.148 94 G HA2 -0.221 3.739 3.960 0.000 0.000 0.254 94 G HA3 -0.221 3.739 3.960 0.000 0.000 0.254 94 G C -0.260 174.640 174.900 -0.000 0.000 0.981 94 G CA -0.042 45.052 45.100 -0.011 0.000 0.670 94 G HN 0.606 nan 8.290 nan 0.000 0.528 95 N N 0.653 119.357 118.700 0.007 0.000 2.443 95 N HA 0.481 5.221 4.740 0.000 0.000 0.269 95 N C 0.407 175.936 175.510 0.032 0.000 0.985 95 N CA -0.567 52.495 53.050 0.021 0.000 0.921 95 N CB 1.293 39.798 38.487 0.030 0.000 1.195 95 N HN 0.090 nan 8.380 nan 0.000 0.492 96 I N 1.400 121.987 120.570 0.029 0.000 2.779 96 I HA 0.090 4.260 4.170 0.000 0.000 0.285 96 I C 0.955 177.103 176.117 0.051 0.000 1.134 96 I CA -0.501 60.821 61.300 0.037 0.000 1.398 96 I CB 0.368 38.381 38.000 0.021 0.000 1.404 96 I HN 0.113 nan 8.210 nan 0.000 0.587 97 V N 5.444 125.401 119.914 0.072 0.000 2.584 97 V HA -0.057 4.063 4.120 0.000 0.000 0.303 97 V C 0.158 176.279 176.094 0.045 0.000 1.035 97 V CA 0.154 62.501 62.300 0.079 0.000 1.172 97 V CB -0.299 31.585 31.823 0.102 0.000 0.896 97 V HN 0.918 nan 8.190 nan 0.000 0.486 98 D N 3.860 124.283 120.400 0.039 0.000 2.533 98 D HA 0.708 5.348 4.640 0.000 0.000 0.247 98 D C -0.794 175.517 176.300 0.018 0.000 1.056 98 D CA -0.793 53.223 54.000 0.026 0.000 1.054 98 D CB 2.176 42.990 40.800 0.023 0.000 1.400 98 D HN 0.400 nan 8.370 nan 0.000 0.533 99 V N -0.481 119.441 119.914 0.014 0.000 2.888 99 V HA 0.562 4.682 4.120 0.000 0.000 0.309 99 V C -2.767 173.323 176.094 -0.007 0.000 1.114 99 V CA -2.273 60.028 62.300 0.002 0.000 0.940 99 V CB 2.467 34.295 31.823 0.007 0.000 1.021 99 V HN 0.588 nan 8.190 nan 0.000 0.426 100 P HA 0.196 nan 4.420 nan 0.000 0.267 100 P C -0.520 176.740 177.300 -0.067 0.000 1.205 100 P CA 0.497 63.570 63.100 -0.044 0.000 0.765 100 P CB 0.930 32.599 31.700 -0.051 0.000 0.828 101 V N 0.290 120.145 119.914 -0.099 0.000 3.182 101 V HA 1.014 5.134 4.120 0.000 0.000 0.311 101 V C 0.237 176.080 176.094 -0.419 0.000 1.221 101 V CA -0.354 61.844 62.300 -0.171 0.000 1.060 101 V CB 1.023 32.818 31.823 -0.047 0.000 1.164 101 V HN 0.946 nan 8.190 nan 0.000 0.466 102 G N -0.053 108.261 108.800 -0.809 0.000 2.497 102 G HA2 0.059 4.019 3.960 0.000 0.000 0.686 102 G HA3 0.059 4.019 3.960 0.000 0.000 0.686 102 G C -2.344 171.838 174.900 -1.197 0.000 1.288 102 G CA -0.106 44.067 45.100 -1.544 0.000 0.899 102 G HN 0.804 nan 8.290 nan 0.000 0.608 103 P HA 0.053 nan 4.420 nan 0.000 0.237 103 P C 1.735 178.826 177.300 -0.349 0.000 1.178 103 P CA 1.485 64.153 63.100 -0.720 0.000 0.766 103 P CB -0.093 31.230 31.700 -0.628 0.000 0.876 104 G N 0.511 109.099 108.800 -0.353 0.000 2.471 104 G HA2 -0.168 3.793 3.960 0.000 0.000 0.219 104 G HA3 -0.168 3.793 3.960 0.000 0.000 0.219 104 G C 1.443 176.264 174.900 -0.131 0.000 1.125 104 G CA 0.222 45.204 45.100 -0.196 0.000 0.775 104 G HN 0.255 nan 8.290 nan 0.000 0.548 105 L N 0.136 121.272 121.223 -0.146 0.000 2.395 105 L HA 0.242 4.582 4.340 0.000 0.000 0.218 105 L C 1.061 177.923 176.870 -0.014 0.000 1.130 105 L CA -0.341 54.456 54.840 -0.073 0.000 0.826 105 L CB -0.259 41.756 42.059 -0.073 0.000 0.941 105 L HN 0.095 nan 8.230 nan 0.000 0.451 106 L N 0.457 121.686 121.223 0.010 0.000 2.573 106 L HA -0.024 4.316 4.340 0.000 0.000 0.290 106 L C 1.497 178.388 176.870 0.035 0.000 1.247 106 L CA 0.834 55.714 54.840 0.068 0.000 0.876 106 L CB -0.318 41.811 42.059 0.116 0.000 1.123 106 L HN 0.374 nan 8.230 nan 0.000 0.505 107 G N 1.402 110.219 108.800 0.027 0.000 2.203 107 G HA2 -0.246 3.714 3.960 0.000 0.000 0.263 107 G HA3 -0.246 3.714 3.960 0.000 0.000 0.263 107 G C 0.282 175.177 174.900 -0.008 0.000 1.012 107 G CA 0.012 45.110 45.100 -0.004 0.000 0.749 107 G HN 0.493 nan 8.290 nan 0.000 0.512 108 R N -1.253 119.246 120.500 -0.002 0.000 2.919 108 R HA 0.745 5.085 4.340 0.000 0.000 0.260 108 R C -0.474 175.827 176.300 0.002 0.000 1.067 108 R CA -0.831 55.266 56.100 -0.005 0.000 1.003 108 R CB 1.813 32.107 30.300 -0.011 0.000 1.192 108 R HN 0.258 nan 8.270 nan 0.000 0.488 109 V N 1.837 121.752 119.914 0.002 0.000 2.407 109 V HA 0.407 4.527 4.120 0.000 0.000 0.291 109 V C 0.040 176.137 176.094 0.006 0.000 1.018 109 V CA -0.851 61.455 62.300 0.010 0.000 0.842 109 V CB 1.500 33.330 31.823 0.011 0.000 0.996 109 V HN 0.590 nan 8.190 nan 0.000 0.426 110 V N 1.019 120.937 119.914 0.007 0.000 2.919 110 V HA 0.837 4.957 4.120 0.000 0.000 0.316 110 V C -0.158 175.936 176.094 -0.001 0.000 1.077 110 V CA -0.780 61.520 62.300 -0.001 0.000 0.977 110 V CB 2.031 33.849 31.823 -0.008 0.000 1.039 110 V HN 0.802 nan 8.190 nan 0.000 0.441 111 D N 2.295 122.689 120.400 -0.010 0.000 2.440 111 D HA 0.446 5.086 4.640 0.000 0.000 0.269 111 D C 1.255 177.539 176.300 -0.027 0.000 1.249 111 D CA 0.186 54.177 54.000 -0.016 0.000 1.055 111 D CB 0.746 41.533 40.800 -0.022 0.000 1.104 111 D HN 0.803 nan 8.370 nan 0.000 0.561 112 A N -0.881 121.914 122.820 -0.042 0.000 2.019 112 A HA -0.025 4.295 4.320 0.000 0.000 0.219 112 A C 2.152 179.698 177.584 -0.064 0.000 1.164 112 A CA 0.927 52.935 52.037 -0.049 0.000 0.644 112 A CB -0.787 18.178 19.000 -0.058 0.000 0.805 112 A HN 0.519 nan 8.150 nan 0.000 0.449 113 L N -1.309 119.862 121.223 -0.087 0.000 2.628 113 L HA 0.275 4.615 4.340 0.000 0.000 0.229 113 L C 1.472 178.315 176.870 -0.045 0.000 1.137 113 L CA 0.397 55.188 54.840 -0.082 0.000 0.909 113 L CB -0.147 41.839 42.059 -0.123 0.000 1.137 113 L HN 0.521 nan 8.230 nan 0.000 0.470 114 G N 0.072 108.851 108.800 -0.035 0.000 2.143 114 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 114 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 114 G C 0.063 174.948 174.900 -0.025 0.000 0.991 114 G CA -0.274 44.811 45.100 -0.026 0.000 0.689 114 G HN 0.390 nan 8.290 nan 0.000 0.522 115 N N 1.903 120.588 118.700 -0.025 0.000 2.497 115 N HA 0.339 5.079 4.740 0.000 0.000 0.268 115 N C -2.303 173.199 175.510 -0.014 0.000 1.171 115 N CA -0.942 52.097 53.050 -0.018 0.000 0.948 115 N CB 1.238 39.715 38.487 -0.016 0.000 1.069 115 N HN 0.205 nan 8.380 nan 0.000 0.460 116 P HA 0.077 nan 4.420 nan 0.000 0.271 116 P C 0.579 177.876 177.300 -0.005 0.000 1.226 116 P CA 0.031 63.126 63.100 -0.010 0.000 0.765 116 P CB 0.425 32.118 31.700 -0.012 0.000 0.835 117 I N 0.584 121.152 120.570 -0.002 0.000 4.288 117 I HA 0.129 4.300 4.170 0.000 0.000 0.331 117 I C 1.006 177.124 176.117 0.002 0.000 1.322 117 I CA 0.015 61.316 61.300 0.002 0.000 1.149 117 I CB -0.149 37.854 38.000 0.005 0.000 1.112 117 I HN 0.050 nan 8.210 nan 0.000 0.403 118 D N 1.985 122.385 120.400 0.000 0.000 2.363 118 D HA 0.028 4.669 4.640 0.000 0.000 0.220 118 D C 1.685 177.984 176.300 -0.003 0.000 0.994 118 D CA 0.754 54.754 54.000 -0.001 0.000 0.890 118 D CB -0.381 40.417 40.800 -0.003 0.000 0.906 118 D HN 0.490 nan 8.370 nan 0.000 0.530 119 G N 0.864 109.662 108.800 -0.003 0.000 2.221 119 G HA2 -0.344 3.616 3.960 0.000 0.000 0.265 119 G HA3 -0.344 3.616 3.960 0.000 0.000 0.265 119 G C 0.368 175.265 174.900 -0.005 0.000 1.041 119 G CA 0.326 45.424 45.100 -0.003 0.000 0.807 119 G HN 0.476 nan 8.290 nan 0.000 0.502 120 K N 0.278 120.674 120.400 -0.007 0.000 2.814 120 K HA 0.485 4.805 4.320 0.000 0.000 0.213 120 K C 1.288 177.882 176.600 -0.010 0.000 1.113 120 K CA 0.175 56.458 56.287 -0.008 0.000 1.145 120 K CB 0.372 32.867 32.500 -0.009 0.000 0.948 120 K HN 1.427 nan 8.250 nan 0.000 0.464 121 G N 2.098 110.893 108.800 -0.009 0.000 2.760 121 G HA2 -0.208 3.752 3.960 0.000 0.000 0.246 121 G HA3 -0.208 3.752 3.960 0.000 0.000 0.246 121 G C -2.698 172.194 174.900 -0.013 0.000 1.359 121 G CA -1.276 43.818 45.100 -0.010 0.000 0.861 121 G HN 0.085 nan 8.290 nan 0.000 0.541 122 P HA 0.447 nan 4.420 nan 0.000 0.271 122 P C 0.265 177.549 177.300 -0.027 0.000 1.233 122 P CA -0.491 62.598 63.100 -0.019 0.000 0.789 122 P CB 0.389 32.078 31.700 -0.018 0.000 0.951 123 I N 1.368 121.918 120.570 -0.033 0.000 2.385 123 I HA 0.129 4.299 4.170 0.000 0.000 0.294 123 I C 0.346 176.428 176.117 -0.058 0.000 0.988 123 I CA -0.223 61.048 61.300 -0.048 0.000 1.265 123 I CB 0.827 38.796 38.000 -0.051 0.000 1.388 123 I HN 0.338 nan 8.210 nan 0.000 0.480 124 D N 5.435 125.790 120.400 -0.075 0.000 2.441 124 D HA 0.445 5.085 4.640 0.000 0.000 0.221 124 D C -0.024 176.197 176.300 -0.132 0.000 1.156 124 D CA -0.150 53.797 54.000 -0.089 0.000 0.896 124 D CB 0.663 41.412 40.800 -0.085 0.000 1.028 124 D HN 0.623 nan 8.370 nan 0.000 0.509 125 A N 2.725 125.475 122.820 -0.117 0.000 2.322 125 A HA 0.601 4.921 4.320 0.000 0.000 0.269 125 A C 0.838 178.333 177.584 -0.149 0.000 1.094 125 A CA -0.127 51.822 52.037 -0.147 0.000 0.807 125 A CB 1.117 20.059 19.000 -0.097 0.000 1.047 125 A HN 0.648 nan 8.150 nan 0.000 0.487 126 A N 0.838 123.538 122.820 -0.201 0.000 2.387 126 A HA 0.588 4.909 4.320 0.000 0.000 0.234 126 A C 0.913 178.496 177.584 -0.002 0.000 1.253 126 A CA 0.829 52.800 52.037 -0.110 0.000 0.894 126 A CB -0.684 18.215 19.000 -0.168 0.000 0.963 126 A HN 2.515 nan 8.150 nan 0.000 0.508 127 G N -0.699 108.087 108.800 -0.024 0.000 2.369 127 G HA2 0.359 4.319 3.960 0.000 0.000 0.293 127 G HA3 0.359 4.319 3.960 0.000 0.000 0.293 127 G C -1.394 173.507 174.900 0.002 0.000 1.301 127 G CA -1.139 43.971 45.100 0.016 0.000 0.913 127 G HN 0.332 nan 8.290 nan 0.000 0.540 128 R N -0.366 120.144 120.500 0.018 0.000 2.621 128 R HA 0.744 5.084 4.340 0.000 0.000 0.292 128 R C -0.837 175.481 176.300 0.029 0.000 0.969 128 R CA -0.749 55.360 56.100 0.014 0.000 0.887 128 R CB 2.252 32.556 30.300 0.007 0.000 1.180 128 R HN 0.498 nan 8.270 nan 0.000 0.450 129 S N 1.600 117.320 115.700 0.033 0.000 2.503 129 S HA 0.446 4.916 4.470 0.000 0.000 0.301 129 S C -0.220 174.399 174.600 0.032 0.000 1.087 129 S CA -0.937 57.286 58.200 0.040 0.000 1.042 129 S CB 1.767 65.002 63.200 0.058 0.000 1.043 129 S HN 0.381 nan 8.310 nan 0.000 0.489 130 R N 0.735 121.251 120.500 0.027 0.000 2.734 130 R HA 0.216 4.556 4.340 0.000 0.000 0.266 130 R C 1.298 177.613 176.300 0.024 0.000 1.044 130 R CA 0.083 56.195 56.100 0.021 0.000 1.128 130 R CB 0.208 30.514 30.300 0.010 0.000 1.010 130 R HN 0.806 nan 8.270 nan 0.000 0.461 131 A N 2.547 125.377 122.820 0.017 0.000 1.929 131 A HA -0.084 4.236 4.320 0.000 0.000 0.216 131 A C 0.452 178.022 177.584 -0.023 0.000 1.176 131 A CA 1.083 53.133 52.037 0.022 0.000 0.628 131 A CB 0.200 19.208 19.000 0.014 0.000 0.816 131 A HN 0.520 nan 8.150 nan 0.000 0.444 132 Q N 0.701 120.453 119.800 -0.079 0.000 2.430 132 Q HA 0.473 4.813 4.340 0.000 0.000 0.245 132 Q C -1.304 174.663 176.000 -0.054 0.000 1.021 132 Q CA -0.021 55.702 55.803 -0.135 0.000 0.867 132 Q CB 1.191 29.818 28.738 -0.185 0.000 1.210 132 Q HN 0.192 nan 8.270 nan 0.000 0.487 133 V N 2.489 122.391 119.914 -0.021 0.000 2.540 133 V HA 0.370 4.490 4.120 0.000 0.000 0.302 133 V C 0.173 176.272 176.094 0.008 0.000 1.035 133 V CA -1.164 61.138 62.300 0.004 0.000 0.873 133 V CB 2.145 33.984 31.823 0.027 0.000 0.992 133 V HN 0.410 nan 8.190 nan 0.000 0.428 134 K N 2.840 123.245 120.400 0.009 0.000 2.350 134 K HA 0.551 4.871 4.320 0.000 0.000 0.279 134 K C 0.382 176.997 176.600 0.025 0.000 1.027 134 K CA 0.071 56.369 56.287 0.017 0.000 0.969 134 K CB 1.529 34.042 32.500 0.022 0.000 0.954 134 K HN 0.911 nan 8.250 nan 0.000 0.474 135 A N 5.140 127.979 122.820 0.031 0.000 2.425 135 A HA 0.277 4.597 4.320 0.000 0.000 0.242 135 A C -1.957 175.644 177.584 0.028 0.000 1.077 135 A CA -0.989 51.068 52.037 0.033 0.000 0.781 135 A CB -0.581 18.441 19.000 0.036 0.000 1.020 135 A HN 0.418 nan 8.150 nan 0.000 0.494 136 P HA 0.213 nan 4.420 nan 0.000 0.263 136 P C 0.615 177.929 177.300 0.023 0.000 1.195 136 P CA 0.613 63.725 63.100 0.020 0.000 0.762 136 P CB 0.441 32.152 31.700 0.018 0.000 0.799 137 G N 2.595 111.408 108.800 0.021 0.000 2.653 137 G HA2 0.051 4.011 3.960 0.000 0.000 0.265 137 G HA3 0.051 4.011 3.960 0.000 0.000 0.265 137 G C 1.226 176.139 174.900 0.021 0.000 1.237 137 G CA -0.606 44.508 45.100 0.023 0.000 0.946 137 G HN 0.383 nan 8.290 nan 0.000 0.522 138 I N -0.486 120.097 120.570 0.022 0.000 2.182 138 I HA -0.206 3.965 4.170 0.000 0.000 0.248 138 I C 2.712 178.839 176.117 0.016 0.000 1.073 138 I CA 1.380 62.692 61.300 0.020 0.000 1.335 138 I CB -0.792 37.220 38.000 0.019 0.000 1.031 138 I HN 0.270 nan 8.210 nan 0.000 0.420 139 L N 0.960 122.191 121.223 0.014 0.000 2.049 139 L HA -0.038 4.302 4.340 0.000 0.000 0.203 139 L C -0.822 176.053 176.870 0.010 0.000 1.074 139 L CA 1.678 56.524 54.840 0.010 0.000 0.749 139 L CB -1.972 40.091 42.059 0.008 0.000 0.907 139 L HN 0.161 nan 8.230 nan 0.000 0.439 140 P HA 0.017 nan 4.420 nan 0.000 0.261 140 P C -0.658 176.650 177.300 0.014 0.000 1.650 140 P CA 0.439 63.543 63.100 0.008 0.000 0.846 140 P CB -0.218 31.484 31.700 0.004 0.000 1.758 141 R N 0.301 120.811 120.500 0.017 0.000 2.621 141 R HA 0.477 4.818 4.340 0.000 0.000 0.284 141 R C -0.140 176.175 176.300 0.027 0.000 0.998 141 R CA -0.744 55.371 56.100 0.025 0.000 0.895 141 R CB 2.632 32.947 30.300 0.026 0.000 1.195 141 R HN 0.003 nan 8.270 nan 0.000 0.450 142 R N 1.428 121.952 120.500 0.040 0.000 2.589 142 R HA 0.371 4.711 4.340 0.000 0.000 0.293 142 R C -0.779 175.559 176.300 0.063 0.000 0.963 142 R CA -0.484 55.640 56.100 0.040 0.000 0.905 142 R CB 1.739 32.065 30.300 0.045 0.000 1.144 142 R HN 0.697 nan 8.270 nan 0.000 0.459 143 S N 1.852 117.578 115.700 0.044 0.000 2.593 143 S HA -0.033 4.437 4.470 0.000 0.000 0.300 143 S C 0.275 174.950 174.600 0.124 0.000 1.267 143 S CA -0.311 57.923 58.200 0.058 0.000 1.065 143 S CB 0.447 63.665 63.200 0.031 0.000 0.807 143 S HN 0.379 nan 8.310 nan 0.000 0.499 144 V N 5.615 125.585 119.914 0.093 0.000 2.584 144 V HA -0.010 4.110 4.120 0.000 0.000 0.303 144 V C 1.455 177.619 176.094 0.118 0.000 1.035 144 V CA 0.813 63.160 62.300 0.079 0.000 1.172 144 V CB -0.350 31.487 31.823 0.023 0.000 0.896 144 V HN 1.107 nan 8.190 nan 0.000 0.486 145 H N 2.082 121.134 119.070 -0.030 0.000 3.726 145 H HA 0.331 4.887 4.556 0.000 0.000 0.262 145 H C -0.042 175.251 175.328 -0.058 0.000 1.181 145 H CA -0.442 55.585 56.048 -0.035 0.000 1.143 145 H CB 0.605 30.353 29.762 -0.024 0.000 1.627 145 H HN 0.622 nan 8.280 nan 0.000 0.750 146 E N 3.068 122.971 120.200 -0.495 0.000 2.171 146 E HA 0.392 4.742 4.350 0.000 0.000 0.271 146 E C -2.850 173.576 176.600 -0.291 0.000 0.916 146 E CA -2.215 53.922 56.400 -0.438 0.000 0.774 146 E CB 2.183 31.547 29.700 -0.561 0.000 1.128 146 E HN 0.103 nan 8.360 nan 0.000 0.403 147 P HA -0.051 nan 4.420 nan 0.000 0.264 147 P C -0.811 176.321 177.300 -0.279 0.000 1.193 147 P CA 0.055 63.029 63.100 -0.209 0.000 0.763 147 P CB 0.493 32.087 31.700 -0.176 0.000 0.810 148 V N 5.420 125.206 119.914 -0.214 0.000 2.288 148 V HA 0.130 4.250 4.120 0.000 0.000 0.266 148 V C 0.507 176.507 176.094 -0.156 0.000 1.048 148 V CA -0.175 61.994 62.300 -0.219 0.000 0.842 148 V CB 0.194 31.924 31.823 -0.156 0.000 1.064 148 V HN 0.481 nan 8.190 nan 0.000 0.472 149 Q N 2.359 122.045 119.800 -0.190 0.000 2.324 149 Q HA 0.107 4.447 4.340 0.000 0.000 0.257 149 Q C 1.530 177.548 176.000 0.029 0.000 1.080 149 Q CA 0.215 55.994 55.803 -0.041 0.000 0.907 149 Q CB 0.958 29.735 28.738 0.066 0.000 1.274 149 Q HN 0.950 nan 8.270 nan 0.000 0.434 150 T N -0.902 113.664 114.554 0.019 0.000 2.904 150 T HA 0.033 4.383 4.350 0.000 0.000 0.267 150 T C 1.451 176.183 174.700 0.053 0.000 1.059 150 T CA 0.726 62.843 62.100 0.027 0.000 1.137 150 T CB -0.009 68.863 68.868 0.007 0.000 0.879 150 T HN 0.828 nan 8.240 nan 0.000 0.467 151 G N 1.194 110.032 108.800 0.063 0.000 2.195 151 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 151 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 151 G C -0.022 174.900 174.900 0.037 0.000 0.984 151 G CA 0.072 45.208 45.100 0.061 0.000 0.633 151 G HN 0.661 nan 8.290 nan 0.000 0.525 152 L N 0.909 122.148 121.223 0.026 0.000 2.261 152 L HA 0.388 4.728 4.340 0.000 0.000 0.289 152 L C 1.782 178.665 176.870 0.022 0.000 1.059 152 L CA -0.676 54.173 54.840 0.015 0.000 0.816 152 L CB 1.061 43.121 42.059 0.003 0.000 1.191 152 L HN 0.047 nan 8.230 nan 0.000 0.431 153 K N 2.564 122.979 120.400 0.026 0.000 2.052 153 K HA -0.289 4.031 4.320 0.000 0.000 0.215 153 K C 2.027 178.645 176.600 0.030 0.000 1.053 153 K CA 2.160 58.467 56.287 0.033 0.000 0.934 153 K CB -0.129 32.392 32.500 0.035 0.000 0.717 153 K HN 0.835 nan 8.250 nan 0.000 0.450 154 A N 0.596 123.430 122.820 0.023 0.000 1.898 154 A HA -0.111 4.209 4.320 0.000 0.000 0.216 154 A C 2.357 179.957 177.584 0.027 0.000 1.181 154 A CA 1.483 53.535 52.037 0.025 0.000 0.620 154 A CB -0.522 18.490 19.000 0.021 0.000 0.819 154 A HN 0.096 nan 8.150 nan 0.000 0.442 155 V N 0.582 120.508 119.914 0.020 0.000 2.244 155 V HA -0.206 3.915 4.120 0.000 0.000 0.244 155 V C 2.047 178.152 176.094 0.017 0.000 1.042 155 V CA 2.215 64.525 62.300 0.016 0.000 1.006 155 V CB -0.838 30.989 31.823 0.007 0.000 0.641 155 V HN 0.463 nan 8.190 nan 0.000 0.446 156 D N 0.044 120.456 120.400 0.019 0.000 2.309 156 D HA -0.059 4.581 4.640 0.000 0.000 0.212 156 D C 1.875 178.191 176.300 0.027 0.000 0.968 156 D CA 1.430 55.442 54.000 0.020 0.000 0.882 156 D CB 0.018 40.835 40.800 0.028 0.000 0.918 156 D HN 0.483 nan 8.370 nan 0.000 0.503 157 A N -0.687 122.152 122.820 0.033 0.000 1.993 157 A HA 0.185 4.505 4.320 0.000 0.000 0.207 157 A C 2.036 179.644 177.584 0.039 0.000 1.224 157 A CA 0.181 52.242 52.037 0.039 0.000 0.749 157 A CB 0.059 19.086 19.000 0.045 0.000 0.884 157 A HN 0.164 nan 8.150 nan 0.000 0.467 158 L N -1.029 120.217 121.223 0.038 0.000 2.577 158 L HA 0.197 4.537 4.340 0.000 0.000 0.225 158 L C -0.150 176.743 176.870 0.038 0.000 1.053 158 L CA 0.293 55.158 54.840 0.042 0.000 0.866 158 L CB 0.968 43.056 42.059 0.048 0.000 1.132 158 L HN 0.062 nan 8.230 nan 0.000 0.486 159 V N 0.726 120.659 119.914 0.031 0.000 2.361 159 V HA 0.292 4.412 4.120 0.000 0.000 0.252 159 V C -2.473 173.627 176.094 0.010 0.000 0.986 159 V CA -1.336 60.979 62.300 0.025 0.000 1.033 159 V CB 0.131 31.971 31.823 0.028 0.000 1.282 159 V HN -0.017 nan 8.190 nan 0.000 0.514 160 P HA 0.320 nan 4.420 nan 0.000 0.269 160 P C -0.414 176.876 177.300 -0.017 0.000 1.209 160 P CA 0.229 63.326 63.100 -0.005 0.000 0.776 160 P CB 0.954 32.653 31.700 -0.002 0.000 0.876 161 I N 1.362 121.912 120.570 -0.034 0.000 2.436 161 I HA 0.491 4.661 4.170 0.000 0.000 0.289 161 I C 0.837 176.911 176.117 -0.071 0.000 1.010 161 I CA -0.450 60.822 61.300 -0.046 0.000 1.098 161 I CB 2.047 40.019 38.000 -0.047 0.000 1.266 161 I HN 0.337 nan 8.210 nan 0.000 0.434 162 G N 4.796 113.555 108.800 -0.068 0.000 2.491 162 G HA2 0.514 4.474 3.960 0.000 0.000 0.327 162 G HA3 0.514 4.474 3.960 0.000 0.000 0.327 162 G C -0.441 174.396 174.900 -0.106 0.000 1.189 162 G CA -0.846 44.196 45.100 -0.097 0.000 0.956 162 G HN 0.519 nan 8.290 nan 0.000 0.491 163 R N 0.184 120.594 120.500 -0.150 0.000 2.288 163 R HA 0.398 4.738 4.340 0.000 0.000 0.330 163 R C 0.955 177.226 176.300 -0.048 0.000 1.069 163 R CA 0.810 56.834 56.100 -0.126 0.000 0.941 163 R CB 0.558 30.724 30.300 -0.223 0.000 0.998 163 R HN 1.054 nan 8.270 nan 0.000 0.452 164 G N 1.937 110.727 108.800 -0.016 0.000 2.205 164 G HA2 -0.249 3.711 3.960 0.000 0.000 0.180 164 G HA3 -0.249 3.711 3.960 0.000 0.000 0.180 164 G C 0.149 175.051 174.900 0.003 0.000 1.004 164 G CA -0.327 44.779 45.100 0.010 0.000 0.670 164 G HN 0.559 nan 8.290 nan 0.000 0.496 165 Q N 0.159 119.951 119.800 -0.013 0.000 2.317 165 Q HA 0.702 5.042 4.340 0.000 0.000 0.229 165 Q C -0.084 175.909 176.000 -0.012 0.000 0.984 165 Q CA -0.559 55.237 55.803 -0.013 0.000 0.911 165 Q CB 0.486 29.210 28.738 -0.024 0.000 1.217 165 Q HN 0.374 nan 8.270 nan 0.000 0.501 166 R N 2.050 122.542 120.500 -0.012 0.000 2.422 166 R HA 0.269 4.609 4.340 0.000 0.000 0.307 166 R C -1.462 174.820 176.300 -0.030 0.000 1.004 166 R CA -0.552 55.538 56.100 -0.016 0.000 0.882 166 R CB 1.506 31.799 30.300 -0.012 0.000 1.164 166 R HN 0.433 nan 8.270 nan 0.000 0.489 167 E N 2.652 122.828 120.200 -0.039 0.000 2.158 167 E HA 0.240 4.590 4.350 0.000 0.000 0.271 167 E C -1.424 175.132 176.600 -0.074 0.000 0.911 167 E CA -0.937 55.431 56.400 -0.054 0.000 0.767 167 E CB 1.159 30.830 29.700 -0.048 0.000 1.120 167 E HN 0.319 nan 8.360 nan 0.000 0.405 168 L N 5.818 126.976 121.223 -0.107 0.000 2.290 168 L HA 0.457 4.797 4.340 0.000 0.000 0.284 168 L C -0.943 175.822 176.870 -0.175 0.000 1.078 168 L CA 0.063 54.818 54.840 -0.143 0.000 0.815 168 L CB 0.495 42.449 42.059 -0.176 0.000 1.162 168 L HN 0.626 nan 8.230 nan 0.000 0.435 169 I N 7.153 127.641 120.570 -0.135 0.000 2.297 169 I HA 0.365 4.535 4.170 0.000 0.000 0.291 169 I C -0.161 175.871 176.117 -0.141 0.000 1.033 169 I CA 0.098 61.322 61.300 -0.127 0.000 1.253 169 I CB 0.807 38.767 38.000 -0.067 0.000 1.396 169 I HN 0.580 nan 8.210 nan 0.000 0.476 170 I N 5.406 125.856 120.570 -0.199 0.000 2.647 170 I HA 0.901 5.071 4.170 0.000 0.000 0.295 170 I C -0.296 175.782 176.117 -0.066 0.000 1.078 170 I CA -0.093 61.103 61.300 -0.172 0.000 1.048 170 I CB 2.069 39.889 38.000 -0.299 0.000 1.239 170 I HN 0.665 nan 8.210 nan 0.000 0.421 171 G N 4.610 113.417 108.800 0.011 0.000 2.328 171 G HA2 0.136 4.096 3.960 0.000 0.000 0.299 171 G HA3 0.136 4.096 3.960 0.000 0.000 0.299 171 G C -1.916 173.017 174.900 0.056 0.000 1.435 171 G CA -0.869 44.275 45.100 0.073 0.000 0.865 171 G HN 0.533 nan 8.290 nan 0.000 0.601 172 D N 0.399 120.838 120.400 0.065 0.000 2.364 172 D HA 0.322 4.962 4.640 0.000 0.000 0.236 172 D C 1.481 177.796 176.300 0.025 0.000 1.221 172 D CA 0.169 54.198 54.000 0.048 0.000 0.891 172 D CB 0.450 41.281 40.800 0.052 0.000 1.190 172 D HN 0.677 nan 8.370 nan 0.000 0.449 173 R N 1.164 121.676 120.500 0.021 0.000 2.758 173 R HA -0.008 4.333 4.340 0.000 0.000 0.263 173 R C -0.032 176.253 176.300 -0.024 0.000 1.010 173 R CA -0.223 55.881 56.100 0.006 0.000 1.114 173 R CB 0.157 30.465 30.300 0.014 0.000 0.985 173 R HN 0.220 nan 8.270 nan 0.000 0.439 174 Q N -0.446 119.329 119.800 -0.042 0.000 2.481 174 Q HA -0.169 4.171 4.340 0.000 0.000 0.272 174 Q C 0.380 176.258 176.000 -0.203 0.000 1.157 174 Q CA 1.849 57.589 55.803 -0.106 0.000 0.935 174 Q CB -1.923 26.753 28.738 -0.103 0.000 1.338 174 Q HN 1.011 nan 8.270 nan 0.000 0.494 175 T N -5.247 109.239 114.554 -0.113 0.000 3.040 175 T HA 0.432 4.782 4.350 0.000 0.000 0.250 175 T C 1.145 175.864 174.700 0.031 0.000 1.058 175 T CA 0.790 62.840 62.100 -0.085 0.000 0.988 175 T CB 1.009 69.878 68.868 0.002 0.000 0.993 175 T HN 0.833 nan 8.240 nan 0.000 0.519 176 G N 1.669 110.478 108.800 0.015 0.000 2.181 176 G HA2 -0.179 3.781 3.960 0.000 0.000 0.152 176 G HA3 -0.179 3.781 3.960 0.000 0.000 0.152 176 G C 0.564 175.481 174.900 0.030 0.000 1.026 176 G CA 0.088 45.223 45.100 0.058 0.000 0.699 176 G HN 0.454 nan 8.290 nan 0.000 0.497 177 K N -0.450 119.961 120.400 0.018 0.000 2.001 177 K HA -0.036 4.284 4.320 0.000 0.000 0.208 177 K C 2.513 179.125 176.600 0.021 0.000 1.048 177 K CA 1.824 58.119 56.287 0.013 0.000 0.932 177 K CB -0.243 32.262 32.500 0.009 0.000 0.715 177 K HN 0.300 nan 8.250 nan 0.000 0.437 178 T N 1.282 115.857 114.554 0.035 0.000 2.915 178 T HA -0.081 4.269 4.350 0.000 0.000 0.269 178 T C 1.986 176.695 174.700 0.016 0.000 1.071 178 T CA 1.085 63.221 62.100 0.060 0.000 1.132 178 T CB -0.191 68.726 68.868 0.083 0.000 0.878 178 T HN 0.293 nan 8.240 nan 0.000 0.479 179 A N 1.189 124.001 122.820 -0.013 0.000 1.908 179 A HA -0.058 4.262 4.320 0.000 0.000 0.218 179 A C 2.562 180.111 177.584 -0.060 0.000 1.181 179 A CA 1.324 53.320 52.037 -0.067 0.000 0.627 179 A CB -1.019 17.928 19.000 -0.087 0.000 0.818 179 A HN 0.368 nan 8.150 nan 0.000 0.445 180 V N -0.298 119.599 119.914 -0.028 0.000 2.427 180 V HA -0.219 3.901 4.120 0.000 0.000 0.248 180 V C 3.012 179.098 176.094 -0.013 0.000 1.051 180 V CA 1.844 64.131 62.300 -0.023 0.000 1.048 180 V CB -1.122 30.693 31.823 -0.014 0.000 0.666 180 V HN 0.627 nan 8.190 nan 0.000 0.456 181 A N -0.331 122.492 122.820 0.004 0.000 1.873 181 A HA -0.164 4.157 4.320 0.000 0.000 0.215 181 A C 2.144 179.732 177.584 0.007 0.000 1.186 181 A CA 1.888 53.939 52.037 0.023 0.000 0.616 181 A CB -0.563 18.486 19.000 0.081 0.000 0.823 181 A HN 0.424 nan 8.150 nan 0.000 0.442 182 L N 0.130 121.338 121.223 -0.024 0.000 2.046 182 L HA -0.148 4.193 4.340 0.000 0.000 0.208 182 L C 1.571 178.425 176.870 -0.027 0.000 1.077 182 L CA 2.426 57.233 54.840 -0.054 0.000 0.747 182 L CB -0.600 41.418 42.059 -0.068 0.000 0.896 182 L HN 0.382 nan 8.230 nan 0.000 0.432 183 D N -1.852 118.529 120.400 -0.032 0.000 2.264 183 D HA -0.130 4.510 4.640 0.000 0.000 0.208 183 D C 1.971 178.283 176.300 0.020 0.000 0.966 183 D CA 1.323 55.315 54.000 -0.013 0.000 0.864 183 D CB 0.080 40.854 40.800 -0.043 0.000 0.933 183 D HN 0.307 nan 8.370 nan 0.000 0.499 184 T N -0.165 114.400 114.554 0.017 0.000 2.942 184 T HA 0.040 4.390 4.350 0.000 0.000 0.265 184 T C 1.970 176.705 174.700 0.059 0.000 1.062 184 T CA 0.385 62.504 62.100 0.032 0.000 1.139 184 T CB 0.039 68.913 68.868 0.011 0.000 0.883 184 T HN 0.133 nan 8.240 nan 0.000 0.468 185 I N 0.843 121.450 120.570 0.062 0.000 2.193 185 I HA -0.068 4.102 4.170 0.000 0.000 0.240 185 I C 2.092 178.328 176.117 0.198 0.000 1.084 185 I CA 1.104 62.477 61.300 0.122 0.000 1.365 185 I CB -0.305 37.735 38.000 0.066 0.000 1.064 185 I HN 0.164 nan 8.210 nan 0.000 0.410 186 L N 0.482 121.777 121.223 0.120 0.000 2.187 186 L HA -0.212 4.129 4.340 0.000 0.000 0.213 186 L C 2.019 178.988 176.870 0.165 0.000 1.100 186 L CA 1.133 56.062 54.840 0.149 0.000 0.765 186 L CB -0.841 41.251 42.059 0.054 0.000 0.904 186 L HN 0.338 nan 8.230 nan 0.000 0.437 187 N N -0.289 118.489 118.700 0.130 0.000 2.512 187 N HA -0.142 4.598 4.740 0.000 0.000 0.183 187 N C 1.685 177.292 175.510 0.163 0.000 1.073 187 N CA 0.567 53.690 53.050 0.122 0.000 0.911 187 N CB 0.155 38.719 38.487 0.128 0.000 0.964 187 N HN 0.218 nan 8.380 nan 0.000 0.447 188 Q N -0.078 119.806 119.800 0.139 0.000 2.482 188 Q HA 0.040 4.380 4.340 0.000 0.000 0.209 188 Q C 1.301 177.204 176.000 -0.160 0.000 0.961 188 Q CA 0.330 56.164 55.803 0.052 0.000 0.945 188 Q CB 0.082 28.729 28.738 -0.151 0.000 1.012 188 Q HN 0.409 nan 8.270 nan 0.000 0.515 189 K N 0.692 121.047 120.400 -0.074 0.000 2.211 189 K HA -0.083 4.237 4.320 0.000 0.000 0.204 189 K C 1.802 178.284 176.600 -0.195 0.000 1.047 189 K CA 0.781 57.016 56.287 -0.087 0.000 0.935 189 K CB 0.129 32.655 32.500 0.043 0.000 0.728 189 K HN 0.145 nan 8.250 nan 0.000 0.452 190 R N -0.930 119.361 120.500 -0.348 0.000 2.241 190 R HA -0.121 4.219 4.340 0.000 0.000 0.224 190 R C 1.238 177.035 176.300 -0.838 0.000 1.101 190 R CA 0.954 56.608 56.100 -0.743 0.000 0.995 190 R CB 0.054 29.564 30.300 -1.318 0.000 0.870 190 R HN 0.397 nan 8.270 nan 0.000 0.463 191 W N -1.017 120.180 121.300 -0.171 0.000 2.942 191 W HA 0.235 4.895 4.660 0.000 0.000 0.260 191 W C 0.700 177.084 176.519 -0.224 0.000 1.101 191 W CA -0.559 56.679 57.345 -0.178 0.000 1.436 191 W CB -0.039 29.308 29.460 -0.189 0.000 0.883 191 W HN -0.033 nan 8.180 nan 0.000 0.646 192 N N 1.456 120.080 118.700 -0.126 0.000 2.362 192 N HA -0.013 4.727 4.740 0.000 0.000 0.211 192 N C 0.603 176.051 175.510 -0.104 0.000 1.170 192 N CA 0.565 53.462 53.050 -0.254 0.000 0.828 192 N CB -0.170 37.910 38.487 -0.679 0.000 1.034 192 N HN 0.202 nan 8.380 nan 0.000 0.475 193 N N -0.996 117.666 118.700 -0.063 0.000 2.325 193 N HA 0.057 4.797 4.740 0.000 0.000 0.220 193 N C 0.978 176.480 175.510 -0.014 0.000 1.176 193 N CA 0.079 53.116 53.050 -0.022 0.000 0.861 193 N CB 0.468 38.936 38.487 -0.032 0.000 1.230 193 N HN 0.076 nan 8.380 nan 0.000 0.479 194 G N 0.040 108.826 108.800 -0.024 0.000 2.634 194 G HA2 0.224 4.184 3.960 0.000 0.000 0.255 194 G HA3 0.224 4.184 3.960 0.000 0.000 0.255 194 G C 0.510 175.427 174.900 0.029 0.000 1.205 194 G CA -0.162 44.938 45.100 -0.001 0.000 0.884 194 G HN 0.046 nan 8.290 nan 0.000 0.549 195 S N -0.683 115.039 115.700 0.036 0.000 2.575 195 S HA 0.027 4.497 4.470 0.000 0.000 0.215 195 S C 0.729 175.366 174.600 0.061 0.000 0.966 195 S CA -0.083 58.147 58.200 0.049 0.000 0.911 195 S CB 0.091 63.315 63.200 0.040 0.000 0.780 195 S HN 0.620 nan 8.310 nan 0.000 0.514 196 D N 2.570 123.009 120.400 0.066 0.000 2.455 196 D HA 0.061 4.701 4.640 0.000 0.000 0.234 196 D C 1.078 177.425 176.300 0.078 0.000 1.224 196 D CA 0.036 54.079 54.000 0.073 0.000 0.999 196 D CB 0.233 41.083 40.800 0.085 0.000 1.072 196 D HN 0.082 nan 8.370 nan 0.000 0.514 197 E N 0.999 121.252 120.200 0.088 0.000 2.130 197 E HA -0.178 4.172 4.350 0.000 0.000 0.196 197 E C 1.787 178.463 176.600 0.127 0.000 0.998 197 E CA 1.010 57.481 56.400 0.117 0.000 0.806 197 E CB -0.076 29.705 29.700 0.135 0.000 0.738 197 E HN 0.552 nan 8.360 nan 0.000 0.459 198 S N 0.152 115.920 115.700 0.113 0.000 2.481 198 S HA -0.017 4.453 4.470 0.000 0.000 0.231 198 S C 1.605 176.267 174.600 0.104 0.000 0.996 198 S CA 0.641 58.939 58.200 0.164 0.000 0.942 198 S CB 0.013 63.286 63.200 0.123 0.000 0.768 198 S HN 0.139 nan 8.310 nan 0.000 0.520 199 K N 0.628 121.025 120.400 -0.006 0.000 2.354 199 K HA 0.219 4.539 4.320 0.000 0.000 0.194 199 K C 0.012 176.474 176.600 -0.230 0.000 1.038 199 K CA -0.031 56.137 56.287 -0.199 0.000 1.052 199 K CB 0.251 32.651 32.500 -0.167 0.000 0.861 199 K HN 0.291 nan 8.250 nan 0.000 0.535 200 K N 1.783 122.127 120.400 -0.094 0.000 2.416 200 K HA 0.056 4.376 4.320 0.000 0.000 0.283 200 K C -0.682 175.748 176.600 -0.283 0.000 1.037 200 K CA -0.128 56.021 56.287 -0.230 0.000 0.995 200 K CB 0.515 32.834 32.500 -0.302 0.000 0.938 200 K HN -0.110 nan 8.250 nan 0.000 0.475 201 L N 5.436 126.430 121.223 -0.381 0.000 2.295 201 L HA 0.277 4.617 4.340 0.000 0.000 0.281 201 L C -1.423 175.236 176.870 -0.351 0.000 1.018 201 L CA -0.440 54.231 54.840 -0.281 0.000 0.841 201 L CB 0.370 42.287 42.059 -0.238 0.000 1.218 201 L HN 0.398 nan 8.230 nan 0.000 0.424 202 Y N 3.453 123.614 120.300 -0.231 0.000 2.335 202 Y HA 0.350 4.900 4.550 0.000 0.000 0.331 202 Y C 0.437 176.208 175.900 -0.216 0.000 1.094 202 Y CA -0.019 57.894 58.100 -0.313 0.000 1.253 202 Y CB 0.934 38.857 38.460 -0.895 0.000 1.203 202 Y HN 0.490 nan 8.280 nan 0.000 0.508 203 C N 3.927 123.306 119.300 0.131 0.000 2.303 203 C HA 0.632 5.092 4.460 0.000 0.000 0.326 203 C C -0.258 174.775 174.990 0.072 0.000 1.285 203 C CA -1.110 57.966 59.018 0.098 0.000 1.675 203 C CB -0.046 27.797 27.740 0.171 0.000 2.289 203 C HN 0.538 nan 8.230 nan 0.000 0.512 204 V N 4.325 124.260 119.914 0.034 0.000 2.350 204 V HA 0.274 4.394 4.120 0.000 0.000 0.285 204 V C -0.842 175.262 176.094 0.018 0.000 1.014 204 V CA -0.556 61.763 62.300 0.033 0.000 0.831 204 V CB 0.920 32.750 31.823 0.012 0.000 1.000 204 V HN 0.784 nan 8.190 nan 0.000 0.433 205 Y N 5.335 125.593 120.300 -0.070 0.000 2.342 205 Y HA 0.627 5.177 4.550 0.000 0.000 0.338 205 Y C -0.242 175.618 175.900 -0.066 0.000 0.965 205 Y CA -0.742 57.309 58.100 -0.082 0.000 1.159 205 Y CB 1.603 40.029 38.460 -0.056 0.000 1.157 205 Y HN 0.434 nan 8.280 nan 0.000 0.486 206 V N 6.106 125.689 119.914 -0.551 0.000 2.333 206 V HA 0.595 4.715 4.120 0.000 0.000 0.274 206 V C 0.142 175.922 176.094 -0.523 0.000 1.028 206 V CA -0.690 61.384 62.300 -0.377 0.000 0.851 206 V CB 0.584 32.295 31.823 -0.187 0.000 1.000 206 V HN 0.925 nan 8.190 nan 0.000 0.456 207 A N 5.581 128.215 122.820 -0.310 0.000 2.366 207 A HA 0.699 5.019 4.320 0.000 0.000 0.322 207 A C -0.300 177.242 177.584 -0.070 0.000 1.397 207 A CA -0.377 51.551 52.037 -0.181 0.000 0.984 207 A CB 0.309 19.342 19.000 0.054 0.000 1.149 207 A HN 0.696 nan 8.150 nan 0.000 0.540 208 V N 2.216 122.089 119.914 -0.067 0.000 2.398 208 V HA 0.632 4.752 4.120 0.000 0.000 0.286 208 V C 1.337 177.441 176.094 0.017 0.000 1.026 208 V CA 0.468 62.760 62.300 -0.015 0.000 0.868 208 V CB 0.651 32.465 31.823 -0.015 0.000 0.982 208 V HN 1.673 nan 8.190 nan 0.000 0.443 209 G N 3.621 112.443 108.800 0.036 0.000 2.189 209 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 209 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 209 G C 0.238 175.165 174.900 0.046 0.000 0.975 209 G CA 0.549 45.678 45.100 0.049 0.000 0.644 209 G HN 0.683 nan 8.290 nan 0.000 0.537 210 Q N 0.132 119.959 119.800 0.044 0.000 2.396 210 Q HA 0.473 4.813 4.340 0.000 0.000 0.221 210 Q C 0.736 176.765 176.000 0.048 0.000 1.025 210 Q CA -0.068 55.765 55.803 0.051 0.000 0.946 210 Q CB 0.549 29.328 28.738 0.067 0.000 1.224 210 Q HN 0.631 nan 8.270 nan 0.000 0.539 211 K N 0.108 120.536 120.400 0.047 0.000 2.185 211 K HA 0.247 4.567 4.320 0.000 0.000 0.271 211 K C 0.374 176.998 176.600 0.041 0.000 1.013 211 K CA -0.544 55.767 56.287 0.040 0.000 0.943 211 K CB 1.213 33.734 32.500 0.035 0.000 0.998 211 K HN 0.416 nan 8.250 nan 0.000 0.468 212 R N 0.731 121.252 120.500 0.035 0.000 2.096 212 R HA -0.196 4.145 4.340 0.000 0.000 0.240 212 R C 2.351 178.669 176.300 0.030 0.000 1.139 212 R CA 2.386 58.506 56.100 0.032 0.000 0.952 212 R CB -0.431 29.884 30.300 0.026 0.000 0.854 212 R HN 0.953 nan 8.270 nan 0.000 0.436 213 S N -0.692 115.024 115.700 0.026 0.000 2.442 213 S HA -0.109 4.361 4.470 0.000 0.000 0.236 213 S C 1.769 176.384 174.600 0.025 0.000 1.007 213 S CA 1.631 59.844 58.200 0.022 0.000 0.965 213 S CB -0.150 63.062 63.200 0.020 0.000 0.773 213 S HN 0.221 nan 8.310 nan 0.000 0.504 214 T N 1.836 116.410 114.554 0.033 0.000 2.851 214 T HA 0.078 4.428 4.350 0.000 0.000 0.262 214 T C 1.844 176.568 174.700 0.039 0.000 1.043 214 T CA 1.208 63.331 62.100 0.038 0.000 1.140 214 T CB -0.405 68.493 68.868 0.050 0.000 0.872 214 T HN 0.301 nan 8.240 nan 0.000 0.446 215 V N 1.911 121.857 119.914 0.053 0.000 2.407 215 V HA -0.168 3.952 4.120 0.000 0.000 0.248 215 V C 2.813 178.921 176.094 0.022 0.000 1.055 215 V CA 1.614 63.949 62.300 0.059 0.000 1.049 215 V CB -1.220 30.651 31.823 0.079 0.000 0.662 215 V HN 0.502 nan 8.190 nan 0.000 0.455 216 A N -0.139 122.692 122.820 0.017 0.000 1.841 216 A HA -0.349 3.971 4.320 0.000 0.000 0.216 216 A C 2.199 179.777 177.584 -0.009 0.000 1.199 216 A CA 2.359 54.398 52.037 0.003 0.000 0.621 216 A CB -0.804 18.200 19.000 0.006 0.000 0.835 216 A HN 0.520 nan 8.150 nan 0.000 0.445 217 Q N -0.546 119.252 119.800 -0.004 0.000 2.142 217 Q HA -0.238 4.102 4.340 0.000 0.000 0.213 217 Q C 1.837 177.818 176.000 -0.032 0.000 1.004 217 Q CA 2.397 58.194 55.803 -0.011 0.000 0.883 217 Q CB -0.572 28.168 28.738 0.004 0.000 0.939 217 Q HN 0.617 nan 8.270 nan 0.000 0.413 218 L N -1.241 119.956 121.223 -0.044 0.000 2.072 218 L HA -0.064 4.276 4.340 0.000 0.000 0.205 218 L C 2.119 178.923 176.870 -0.111 0.000 1.079 218 L CA 1.009 55.790 54.840 -0.099 0.000 0.752 218 L CB -0.263 41.703 42.059 -0.156 0.000 0.906 218 L HN 0.150 nan 8.230 nan 0.000 0.436 219 V N -0.426 119.443 119.914 -0.075 0.000 2.515 219 V HA -0.300 3.820 4.120 0.000 0.000 0.250 219 V C 2.482 178.541 176.094 -0.059 0.000 1.058 219 V CA 1.929 64.189 62.300 -0.066 0.000 1.064 219 V CB -0.418 31.384 31.823 -0.035 0.000 0.675 219 V HN 0.576 nan 8.190 nan 0.000 0.461 220 Q N -0.446 119.325 119.800 -0.048 0.000 2.046 220 Q HA -0.199 4.142 4.340 0.000 0.000 0.200 220 Q C 2.309 178.281 176.000 -0.047 0.000 0.975 220 Q CA 2.190 57.968 55.803 -0.041 0.000 0.836 220 Q CB -0.141 28.577 28.738 -0.033 0.000 0.896 220 Q HN 0.671 nan 8.270 nan 0.000 0.428 221 T N 1.508 116.024 114.554 -0.064 0.000 2.720 221 T HA -0.152 4.199 4.350 0.000 0.000 0.268 221 T C 1.825 176.495 174.700 -0.050 0.000 1.037 221 T CA 1.120 63.174 62.100 -0.077 0.000 1.144 221 T CB -0.227 68.559 68.868 -0.137 0.000 0.864 221 T HN 0.236 nan 8.240 nan 0.000 0.444 222 L N 0.424 121.590 121.223 -0.094 0.000 2.131 222 L HA -0.096 4.244 4.340 0.000 0.000 0.210 222 L C 2.717 179.546 176.870 -0.068 0.000 1.092 222 L CA 1.335 56.110 54.840 -0.108 0.000 0.759 222 L CB -0.481 41.484 42.059 -0.157 0.000 0.903 222 L HN 0.307 nan 8.230 nan 0.000 0.435 223 E N -0.264 119.904 120.200 -0.054 0.000 2.106 223 E HA -0.241 4.109 4.350 0.000 0.000 0.192 223 E C 2.116 178.703 176.600 -0.022 0.000 0.984 223 E CA 0.979 57.354 56.400 -0.042 0.000 0.806 223 E CB 0.038 29.715 29.700 -0.039 0.000 0.750 223 E HN 0.494 nan 8.360 nan 0.000 0.458 224 Q N -0.739 119.061 119.800 -0.001 0.000 2.472 224 Q HA -0.065 4.275 4.340 0.000 0.000 0.208 224 Q C 0.568 176.523 176.000 -0.075 0.000 0.958 224 Q CA 0.640 56.427 55.803 -0.027 0.000 0.932 224 Q CB 0.261 28.977 28.738 -0.036 0.000 1.007 224 Q HN 0.339 nan 8.270 nan 0.000 0.508 225 H N -0.803 118.217 119.070 -0.084 0.000 2.592 225 H HA 0.080 4.636 4.556 0.000 0.000 0.279 225 H C -0.602 174.708 175.328 -0.031 0.000 1.089 225 H CA -0.150 55.865 56.048 -0.054 0.000 1.150 225 H CB 0.669 30.404 29.762 -0.045 0.000 1.575 225 H HN 0.049 nan 8.280 nan 0.000 0.547 226 D N -0.095 120.326 120.400 0.036 0.000 2.800 226 D HA -0.180 4.460 4.640 0.000 0.000 0.232 226 D C 0.781 177.076 176.300 -0.008 0.000 1.137 226 D CA 0.810 54.820 54.000 0.016 0.000 0.718 226 D CB -1.115 39.707 40.800 0.036 0.000 1.084 226 D HN 0.533 nan 8.370 nan 0.000 0.432 227 A N -0.770 121.973 122.820 -0.129 0.000 2.324 227 A HA 0.166 4.486 4.320 0.000 0.000 0.220 227 A C 2.107 179.293 177.584 -0.663 0.000 1.209 227 A CA 0.252 51.993 52.037 -0.494 0.000 0.918 227 A CB 0.057 18.867 19.000 -0.316 0.000 0.959 227 A HN 0.232 nan 8.150 nan 0.000 0.507 228 M N 1.487 120.900 119.600 -0.312 0.000 2.108 228 M HA -0.207 4.273 4.480 0.000 0.000 0.261 228 M C 2.155 178.340 176.300 -0.192 0.000 1.066 228 M CA 2.196 57.365 55.300 -0.219 0.000 1.107 228 M CB -0.975 31.558 32.600 -0.112 0.000 1.356 228 M HN 0.701 nan 8.290 nan 0.000 0.406 229 K N 0.295 120.612 120.400 -0.139 0.000 2.173 229 K HA -0.215 4.105 4.320 0.000 0.000 0.207 229 K C 1.354 178.025 176.600 0.118 0.000 1.046 229 K CA 2.152 58.443 56.287 0.006 0.000 0.929 229 K CB -0.915 31.629 32.500 0.074 0.000 0.720 229 K HN 0.558 nan 8.250 nan 0.000 0.453 230 Y N -0.660 119.700 120.300 0.100 0.000 2.467 230 Y HA 0.474 5.024 4.550 0.000 0.000 0.250 230 Y C 0.111 176.092 175.900 0.135 0.000 1.155 230 Y CA -1.016 57.183 58.100 0.165 0.000 1.249 230 Y CB 0.343 38.854 38.460 0.086 0.000 1.146 230 Y HN -0.144 nan 8.280 nan 0.000 0.524 231 S N 1.226 116.897 115.700 -0.049 0.000 2.608 231 S HA 0.674 5.144 4.470 0.000 0.000 0.291 231 S C -0.629 173.991 174.600 0.033 0.000 1.146 231 S CA -0.594 57.596 58.200 -0.017 0.000 1.043 231 S CB 1.402 64.518 63.200 -0.141 0.000 1.037 231 S HN 0.235 nan 8.310 nan 0.000 0.520 232 I N 2.674 123.281 120.570 0.063 0.000 2.466 232 I HA 0.380 4.550 4.170 0.000 0.000 0.289 232 I C -1.018 175.143 176.117 0.072 0.000 1.026 232 I CA -0.522 60.817 61.300 0.065 0.000 1.078 232 I CB 1.515 39.570 38.000 0.091 0.000 1.249 232 I HN 0.364 nan 8.210 nan 0.000 0.429 233 I N 7.093 127.701 120.570 0.063 0.000 2.330 233 I HA 0.311 4.481 4.170 0.000 0.000 0.289 233 I C -0.108 176.043 176.117 0.056 0.000 1.001 233 I CA -0.684 60.673 61.300 0.094 0.000 1.193 233 I CB 1.351 39.412 38.000 0.102 0.000 1.345 233 I HN 0.138 nan 8.210 nan 0.000 0.461 234 V N 6.056 125.994 119.914 0.039 0.000 2.350 234 V HA 0.620 4.740 4.120 0.000 0.000 0.276 234 V C 0.508 176.604 176.094 0.002 0.000 1.028 234 V CA -0.504 61.802 62.300 0.010 0.000 0.860 234 V CB 1.339 33.159 31.823 -0.005 0.000 0.990 234 V HN 0.859 nan 8.190 nan 0.000 0.453 235 A N 4.416 127.242 122.820 0.011 0.000 2.319 235 A HA 0.838 5.158 4.320 0.000 0.000 0.310 235 A C 0.133 177.723 177.584 0.009 0.000 1.152 235 A CA -0.315 51.732 52.037 0.017 0.000 0.783 235 A CB 1.320 20.342 19.000 0.036 0.000 1.184 235 A HN 1.204 nan 8.150 nan 0.000 0.474 236 A N 3.271 126.096 122.820 0.009 0.000 3.047 236 A HA 0.577 4.897 4.320 0.000 0.000 0.337 236 A C 0.619 178.222 177.584 0.031 0.000 1.143 236 A CA -0.086 51.962 52.037 0.018 0.000 0.905 236 A CB -0.792 18.221 19.000 0.022 0.000 1.088 236 A HN 1.064 nan 8.150 nan 0.000 0.488 237 T N -1.247 113.327 114.554 0.032 0.000 2.802 237 T HA 0.413 4.763 4.350 0.000 0.000 0.305 237 T C 1.673 176.398 174.700 0.042 0.000 1.053 237 T CA -0.018 62.105 62.100 0.038 0.000 1.058 237 T CB 1.019 69.908 68.868 0.036 0.000 0.988 237 T HN 0.982 nan 8.240 nan 0.000 0.539 238 A N 1.761 124.607 122.820 0.043 0.000 1.940 238 A HA -0.175 4.145 4.320 0.000 0.000 0.221 238 A C 2.399 180.010 177.584 0.045 0.000 1.190 238 A CA 2.339 54.404 52.037 0.046 0.000 0.647 238 A CB -1.442 17.583 19.000 0.042 0.000 0.821 238 A HN 1.153 nan 8.150 nan 0.000 0.457 239 S N -0.534 115.190 115.700 0.040 0.000 2.631 239 S HA 0.162 4.632 4.470 0.000 0.000 0.217 239 S C 0.283 174.909 174.600 0.042 0.000 0.958 239 S CA -0.213 58.010 58.200 0.038 0.000 0.920 239 S CB -0.092 63.127 63.200 0.032 0.000 0.776 239 S HN 0.629 nan 8.310 nan 0.000 0.517 240 E N 1.625 121.854 120.200 0.048 0.000 2.266 240 E HA 0.563 4.913 4.350 0.000 0.000 0.277 240 E C -0.003 176.641 176.600 0.073 0.000 1.018 240 E CA -0.587 55.845 56.400 0.055 0.000 0.840 240 E CB 1.329 31.057 29.700 0.045 0.000 1.082 240 E HN 0.417 nan 8.360 nan 0.000 0.395 241 A N 2.094 124.967 122.820 0.088 0.000 2.587 241 A HA 0.061 4.381 4.320 0.000 0.000 0.233 241 A C 1.342 179.011 177.584 0.140 0.000 1.049 241 A CA 0.826 52.932 52.037 0.115 0.000 0.754 241 A CB 0.185 19.277 19.000 0.155 0.000 0.977 241 A HN 0.843 nan 8.150 nan 0.000 0.509 242 A N 3.691 126.591 122.820 0.133 0.000 1.948 242 A HA -0.081 4.239 4.320 0.000 0.000 0.220 242 A C -0.100 177.622 177.584 0.230 0.000 1.177 242 A CA 2.131 54.260 52.037 0.154 0.000 0.636 242 A CB -1.595 17.472 19.000 0.112 0.000 0.815 242 A HN 0.660 nan 8.150 nan 0.000 0.449 243 P HA -0.116 nan 4.420 nan 0.000 0.217 243 P C 1.439 178.986 177.300 0.411 0.000 1.150 243 P CA 0.792 64.130 63.100 0.396 0.000 0.832 243 P CB -0.147 31.862 31.700 0.516 0.000 0.787 244 L N -0.880 120.487 121.223 0.240 0.000 2.046 244 L HA -0.219 4.121 4.340 0.000 0.000 0.208 244 L C 2.607 179.544 176.870 0.110 0.000 1.077 244 L CA 1.641 56.530 54.840 0.081 0.000 0.747 244 L CB -1.050 41.012 42.059 0.005 0.000 0.896 244 L HN 0.018 nan 8.230 nan 0.000 0.432 245 Q N -1.071 118.817 119.800 0.147 0.000 2.124 245 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 245 Q C 2.109 178.212 176.000 0.171 0.000 0.977 245 Q CA 1.907 57.788 55.803 0.131 0.000 0.850 245 Q CB -0.307 28.512 28.738 0.134 0.000 0.901 245 Q HN 0.533 nan 8.270 nan 0.000 0.429 246 Y N 0.910 121.293 120.300 0.139 0.000 2.181 246 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 246 Y C 1.701 177.728 175.900 0.213 0.000 1.146 246 Y CA 1.309 59.519 58.100 0.183 0.000 1.164 246 Y CB -0.166 38.445 38.460 0.251 0.000 0.982 246 Y HN -0.018 nan 8.280 nan 0.000 0.515 247 L N 0.037 121.277 121.223 0.028 0.000 2.131 247 L HA -0.066 4.274 4.340 0.000 0.000 0.206 247 L C 2.856 179.729 176.870 0.005 0.000 1.087 247 L CA 0.851 55.672 54.840 -0.031 0.000 0.767 247 L CB -0.911 41.199 42.059 0.085 0.000 0.917 247 L HN 0.371 nan 8.230 nan 0.000 0.441 248 A N 0.952 123.767 122.820 -0.009 0.000 1.915 248 A HA -0.201 4.119 4.320 0.000 0.000 0.220 248 A C -0.179 177.379 177.584 -0.043 0.000 1.198 248 A CA 2.214 54.239 52.037 -0.021 0.000 0.647 248 A CB -1.894 17.096 19.000 -0.015 0.000 0.825 248 A HN 0.299 nan 8.150 nan 0.000 0.456 249 P HA -0.035 nan 4.420 nan 0.000 0.221 249 P C 0.930 178.088 177.300 -0.236 0.000 1.150 249 P CA 0.749 63.746 63.100 -0.172 0.000 0.800 249 P CB -0.131 31.259 31.700 -0.516 0.000 0.787 250 F N 0.156 120.035 119.950 -0.118 0.000 2.163 250 F HA -0.116 4.411 4.527 0.000 0.000 0.297 250 F C 2.392 178.166 175.800 -0.043 0.000 1.094 250 F CA 1.838 59.770 58.000 -0.114 0.000 1.290 250 F CB -1.931 36.944 39.000 -0.209 0.000 1.017 250 F HN -0.046 nan 8.300 nan 0.000 0.483 251 T N -1.981 112.648 114.554 0.126 0.000 2.867 251 T HA -0.042 4.308 4.350 0.000 0.000 0.268 251 T C 2.153 176.892 174.700 0.066 0.000 1.057 251 T CA 0.901 63.047 62.100 0.076 0.000 1.136 251 T CB -0.785 68.105 68.868 0.037 0.000 0.874 251 T HN 0.178 nan 8.240 nan 0.000 0.466 252 A N 1.757 124.611 122.820 0.058 0.000 1.930 252 A HA 0.434 4.754 4.320 0.000 0.000 0.217 252 A C 2.777 180.411 177.584 0.082 0.000 1.175 252 A CA 1.510 53.579 52.037 0.054 0.000 0.627 252 A CB -1.275 17.740 19.000 0.025 0.000 0.815 252 A HN 0.674 nan 8.150 nan 0.000 0.443 253 A N -0.183 122.710 122.820 0.122 0.000 1.877 253 A HA -0.090 4.230 4.320 0.000 0.000 0.216 253 A C 2.433 180.094 177.584 0.128 0.000 1.186 253 A CA 2.106 54.228 52.037 0.141 0.000 0.620 253 A CB -0.963 18.134 19.000 0.161 0.000 0.822 253 A HN 0.461 nan 8.150 nan 0.000 0.443 254 S N -0.029 115.742 115.700 0.118 0.000 2.383 254 S HA -0.136 4.335 4.470 0.000 0.000 0.229 254 S C 1.786 176.459 174.600 0.121 0.000 1.030 254 S CA 1.500 59.765 58.200 0.108 0.000 1.002 254 S CB -0.521 62.731 63.200 0.087 0.000 0.829 254 S HN 0.532 nan 8.310 nan 0.000 0.467 255 I N 1.328 121.965 120.570 0.111 0.000 2.226 255 I HA -0.148 4.022 4.170 0.000 0.000 0.245 255 I C 2.633 178.885 176.117 0.225 0.000 1.100 255 I CA 1.284 62.653 61.300 0.115 0.000 1.374 255 I CB -0.744 37.306 38.000 0.083 0.000 1.057 255 I HN 0.394 nan 8.210 nan 0.000 0.413 256 G N -0.146 108.803 108.800 0.247 0.000 2.464 256 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 256 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 256 G C 1.467 176.579 174.900 0.354 0.000 1.138 256 G CA 0.122 45.442 45.100 0.368 0.000 0.793 256 G HN 0.370 nan 8.290 nan 0.000 0.539 257 E N -0.577 119.753 120.200 0.217 0.000 2.209 257 E HA -0.174 4.177 4.350 0.000 0.000 0.196 257 E C 1.853 178.526 176.600 0.121 0.000 0.993 257 E CA 0.523 57.011 56.400 0.147 0.000 0.819 257 E CB -0.165 29.596 29.700 0.101 0.000 0.745 257 E HN 0.663 nan 8.360 nan 0.000 0.477 258 W N 0.708 121.979 121.300 -0.048 0.000 2.315 258 W HA -0.284 4.377 4.660 0.000 0.000 0.323 258 W C 1.624 178.020 176.519 -0.204 0.000 1.233 258 W CA 1.902 59.129 57.345 -0.198 0.000 1.267 258 W CB -0.539 28.689 29.460 -0.387 0.000 1.160 258 W HN 0.001 nan 8.180 nan 0.000 0.474 259 F N 0.268 120.355 119.950 0.229 0.000 2.069 259 F HA -0.229 4.298 4.527 0.000 0.000 0.298 259 F C 2.748 178.465 175.800 -0.139 0.000 1.113 259 F CA 2.323 60.349 58.000 0.044 0.000 1.214 259 F CB -1.407 37.692 39.000 0.165 0.000 0.978 259 F HN -0.142 nan 8.300 nan 0.000 0.474 260 R N 0.649 121.229 120.500 0.132 0.000 2.105 260 R HA -0.172 4.168 4.340 0.000 0.000 0.239 260 R C 1.350 177.597 176.300 -0.088 0.000 1.135 260 R CA 1.984 58.092 56.100 0.014 0.000 0.967 260 R CB -0.478 29.854 30.300 0.053 0.000 0.861 260 R HN 0.220 nan 8.270 nan 0.000 0.442 261 D N 0.114 120.427 120.400 -0.146 0.000 2.347 261 D HA -0.045 4.595 4.640 0.000 0.000 0.215 261 D C 0.165 176.282 176.300 -0.306 0.000 0.976 261 D CA 0.670 54.549 54.000 -0.202 0.000 0.884 261 D CB 0.005 40.685 40.800 -0.199 0.000 0.915 261 D HN 0.199 nan 8.370 nan 0.000 0.526 262 N N 0.137 118.582 118.700 -0.425 0.000 2.535 262 N HA 0.182 4.922 4.740 0.000 0.000 0.294 262 N C 0.508 175.840 175.510 -0.296 0.000 1.408 262 N CA -0.036 52.722 53.050 -0.487 0.000 0.927 262 N CB 1.078 38.971 38.487 -0.989 0.000 1.276 262 N HN -0.000 nan 8.380 nan 0.000 0.505 263 G N 1.295 109.968 108.800 -0.212 0.000 2.366 263 G HA2 -0.315 3.646 3.960 0.000 0.000 0.299 263 G HA3 -0.315 3.646 3.960 0.000 0.000 0.299 263 G C 0.056 174.838 174.900 -0.197 0.000 1.020 263 G CA 0.805 45.801 45.100 -0.175 0.000 1.026 263 G HN 0.371 nan 8.290 nan 0.000 0.512 264 K N -1.071 119.192 120.400 -0.229 0.000 2.399 264 K HA 0.635 4.956 4.320 0.000 0.000 0.260 264 K C -0.641 175.722 176.600 -0.395 0.000 1.049 264 K CA -1.111 55.069 56.287 -0.178 0.000 0.890 264 K CB 1.448 34.099 32.500 0.252 0.000 1.430 264 K HN 0.281 nan 8.250 nan 0.000 0.459 265 H N -0.307 118.855 119.070 0.153 0.000 2.529 265 H HA 0.565 5.121 4.556 0.000 0.000 0.348 265 H C -1.089 174.245 175.328 0.010 0.000 1.079 265 H CA -0.766 55.309 56.048 0.044 0.000 1.198 265 H CB 1.988 31.714 29.762 -0.059 0.000 1.521 265 H HN 0.692 nan 8.280 nan 0.000 0.514 266 A N 2.860 125.740 122.820 0.099 0.000 2.380 266 A HA 0.618 4.938 4.320 0.000 0.000 0.315 266 A C -1.285 176.295 177.584 -0.006 0.000 1.101 266 A CA -0.699 51.337 52.037 -0.003 0.000 0.771 266 A CB 1.826 20.861 19.000 0.058 0.000 1.287 266 A HN 0.478 nan 8.150 nan 0.000 0.436 267 L N 1.765 122.965 121.223 -0.038 0.000 2.406 267 L HA 0.747 5.087 4.340 0.000 0.000 0.272 267 L C -1.267 175.555 176.870 -0.079 0.000 0.980 267 L CA -0.288 54.521 54.840 -0.052 0.000 0.831 267 L CB 1.364 43.396 42.059 -0.045 0.000 1.253 267 L HN 0.701 nan 8.230 nan 0.000 0.406 268 I N 5.209 125.686 120.570 -0.156 0.000 2.433 268 I HA 0.610 4.780 4.170 0.000 0.000 0.292 268 I C -1.218 174.642 176.117 -0.429 0.000 1.001 268 I CA -0.694 60.416 61.300 -0.315 0.000 1.119 268 I CB 1.793 39.524 38.000 -0.449 0.000 1.289 268 I HN 0.401 nan 8.210 nan 0.000 0.438 269 V N 8.050 127.730 119.914 -0.390 0.000 2.334 269 V HA 0.291 4.411 4.120 0.000 0.000 0.281 269 V C -1.065 174.735 176.094 -0.490 0.000 1.016 269 V CA -0.498 61.605 62.300 -0.328 0.000 0.832 269 V CB 0.911 32.715 31.823 -0.032 0.000 0.999 269 V HN 0.470 nan 8.190 nan 0.000 0.439 270 Y N 2.599 122.773 120.300 -0.210 0.000 2.535 270 Y HA 0.464 5.014 4.550 0.000 0.000 0.349 270 Y C 0.393 176.144 175.900 -0.249 0.000 0.992 270 Y CA -0.801 57.145 58.100 -0.257 0.000 1.248 270 Y CB 0.563 38.874 38.460 -0.248 0.000 1.124 270 Y HN 0.529 nan 8.280 nan 0.000 0.520 271 D N 3.657 123.934 120.400 -0.204 0.000 2.438 271 D HA 0.206 4.846 4.640 0.000 0.000 0.257 271 D C -1.428 174.808 176.300 -0.107 0.000 1.148 271 D CA -0.500 53.405 54.000 -0.159 0.000 0.902 271 D CB 0.332 41.016 40.800 -0.193 0.000 1.062 271 D HN 0.691 nan 8.370 nan 0.000 0.518 272 D N 0.543 120.914 120.400 -0.047 0.000 2.645 272 D HA 0.236 4.876 4.640 0.000 0.000 0.228 272 D C 1.142 177.415 176.300 -0.046 0.000 1.148 272 D CA -0.756 53.219 54.000 -0.042 0.000 0.860 272 D CB 1.334 42.121 40.800 -0.021 0.000 1.548 272 D HN 0.032 nan 8.370 nan 0.000 0.460 273 L N 0.463 121.624 121.223 -0.104 0.000 2.131 273 L HA -0.143 4.197 4.340 0.000 0.000 0.210 273 L C 1.992 178.840 176.870 -0.036 0.000 1.092 273 L CA 1.052 55.788 54.840 -0.173 0.000 0.759 273 L CB -0.492 41.267 42.059 -0.499 0.000 0.903 273 L HN 0.497 nan 8.230 nan 0.000 0.435 274 S N 0.091 115.779 115.700 -0.021 0.000 2.365 274 S HA -0.243 4.227 4.470 0.000 0.000 0.225 274 S C 1.944 176.613 174.600 0.115 0.000 1.039 274 S CA 1.588 59.822 58.200 0.057 0.000 1.033 274 S CB -0.136 63.093 63.200 0.047 0.000 0.887 274 S HN 0.402 nan 8.310 nan 0.000 0.447 275 K N 0.762 121.214 120.400 0.087 0.000 2.155 275 K HA -0.026 4.294 4.320 0.000 0.000 0.203 275 K C 2.451 179.134 176.600 0.138 0.000 1.052 275 K CA 0.706 57.057 56.287 0.107 0.000 0.948 275 K CB -0.114 32.430 32.500 0.074 0.000 0.728 275 K HN 0.345 nan 8.250 nan 0.000 0.448 276 Q N 0.780 120.656 119.800 0.126 0.000 2.084 276 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 276 Q C 2.000 178.150 176.000 0.251 0.000 0.978 276 Q CA 1.504 57.404 55.803 0.162 0.000 0.844 276 Q CB -0.075 28.716 28.738 0.088 0.000 0.898 276 Q HN 0.312 nan 8.270 nan 0.000 0.426 277 A N 0.065 123.042 122.820 0.262 0.000 1.978 277 A HA -0.122 4.198 4.320 0.000 0.000 0.220 277 A C 2.171 180.016 177.584 0.435 0.000 1.170 277 A CA 1.434 53.642 52.037 0.284 0.000 0.636 277 A CB -0.519 18.593 19.000 0.187 0.000 0.810 277 A HN 0.302 nan 8.150 nan 0.000 0.448 278 V N -0.545 119.578 119.914 0.348 0.000 2.453 278 V HA -0.163 3.957 4.120 0.000 0.000 0.247 278 V C 3.010 179.240 176.094 0.227 0.000 1.048 278 V CA 1.674 64.150 62.300 0.293 0.000 1.049 278 V CB -0.929 31.016 31.823 0.203 0.000 0.672 278 V HN 0.610 nan 8.190 nan 0.000 0.457 279 A N -0.791 122.171 122.820 0.235 0.000 1.902 279 A HA -0.271 4.049 4.320 0.000 0.000 0.217 279 A C 2.169 179.900 177.584 0.244 0.000 1.181 279 A CA 2.033 54.201 52.037 0.218 0.000 0.623 279 A CB -0.801 18.344 19.000 0.241 0.000 0.818 279 A HN 0.599 nan 8.150 nan 0.000 0.443 280 Y N 0.599 121.013 120.300 0.191 0.000 2.165 280 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 280 Y C 2.513 178.465 175.900 0.087 0.000 1.155 280 Y CA 2.087 60.265 58.100 0.131 0.000 1.164 280 Y CB -0.423 38.175 38.460 0.229 0.000 0.978 280 Y HN 0.360 nan 8.280 nan 0.000 0.513 281 R N 0.238 120.805 120.500 0.112 0.000 2.081 281 R HA -0.236 4.104 4.340 0.000 0.000 0.235 281 R C 2.442 178.677 176.300 -0.108 0.000 1.131 281 R CA 1.820 57.904 56.100 -0.026 0.000 0.960 281 R CB -0.483 29.830 30.300 0.021 0.000 0.856 281 R HN 0.555 nan 8.270 nan 0.000 0.436 282 Q N 0.640 120.413 119.800 -0.045 0.000 2.045 282 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 282 Q C 2.215 178.161 176.000 -0.090 0.000 0.991 282 Q CA 2.231 58.004 55.803 -0.050 0.000 0.851 282 Q CB -0.181 28.557 28.738 -0.001 0.000 0.911 282 Q HN 0.474 nan 8.270 nan 0.000 0.418 283 L N 0.174 121.326 121.223 -0.120 0.000 1.989 283 L HA -0.214 4.127 4.340 0.000 0.000 0.211 283 L C 2.632 179.374 176.870 -0.213 0.000 1.071 283 L CA 1.530 56.272 54.840 -0.163 0.000 0.749 283 L CB -0.694 41.239 42.059 -0.210 0.000 0.890 283 L HN 0.210 nan 8.230 nan 0.000 0.431 284 S N 0.274 115.774 115.700 -0.333 0.000 2.370 284 S HA -0.151 4.319 4.470 0.000 0.000 0.226 284 S C 1.989 176.488 174.600 -0.169 0.000 1.033 284 S CA 1.348 59.366 58.200 -0.305 0.000 1.011 284 S CB -0.357 62.607 63.200 -0.394 0.000 0.852 284 S HN 0.302 nan 8.310 nan 0.000 0.457 285 L N 0.590 121.727 121.223 -0.143 0.000 2.131 285 L HA 0.050 4.390 4.340 0.000 0.000 0.206 285 L C 2.113 178.935 176.870 -0.080 0.000 1.087 285 L CA 0.784 55.564 54.840 -0.100 0.000 0.767 285 L CB -0.468 41.534 42.059 -0.095 0.000 0.917 285 L HN 0.270 nan 8.230 nan 0.000 0.441 286 L N -0.562 120.612 121.223 -0.081 0.000 2.217 286 L HA -0.140 4.200 4.340 0.000 0.000 0.211 286 L C 2.130 178.965 176.870 -0.058 0.000 1.107 286 L CA 0.758 55.561 54.840 -0.062 0.000 0.783 286 L CB -0.219 41.807 42.059 -0.055 0.000 0.919 286 L HN 0.256 nan 8.230 nan 0.000 0.442 287 L N -0.485 120.694 121.223 -0.074 0.000 2.610 287 L HA 0.038 4.378 4.340 0.000 0.000 0.232 287 L C 0.745 177.584 176.870 -0.051 0.000 1.149 287 L CA 0.211 55.014 54.840 -0.062 0.000 0.872 287 L CB -0.192 41.820 42.059 -0.078 0.000 0.992 287 L HN 0.249 nan 8.230 nan 0.000 0.447 288 R N 0.067 120.535 120.500 -0.054 0.000 3.651 288 R HA -0.159 4.181 4.340 0.000 0.000 0.292 288 R C -0.149 176.128 176.300 -0.039 0.000 1.161 288 R CA 0.393 56.468 56.100 -0.043 0.000 0.787 288 R CB -1.637 28.644 30.300 -0.031 0.000 1.249 288 R HN 0.403 nan 8.270 nan 0.000 0.476 289 R N 1.039 121.508 120.500 -0.051 0.000 2.539 289 R HA 0.223 4.563 4.340 0.000 0.000 0.275 289 R C -2.063 174.215 176.300 -0.036 0.000 1.077 289 R CA -1.737 54.339 56.100 -0.039 0.000 1.097 289 R CB 0.218 30.488 30.300 -0.050 0.000 1.018 289 R HN -0.120 nan 8.270 nan 0.000 0.483 290 P HA 0.059 nan 4.420 nan 0.000 0.268 290 P C -2.352 174.935 177.300 -0.023 0.000 1.205 290 P CA -0.920 62.168 63.100 -0.020 0.000 0.771 290 P CB 0.049 31.744 31.700 -0.009 0.000 0.858 291 P HA 0.324 nan 4.420 nan 0.000 0.286 291 P C -0.078 177.199 177.300 -0.039 0.000 1.261 291 P CA -0.105 62.970 63.100 -0.042 0.000 0.821 291 P CB 1.644 33.307 31.700 -0.062 0.000 1.013 292 G N 1.436 110.209 108.800 -0.046 0.000 3.211 292 G HA2 0.361 4.321 3.960 0.000 0.000 0.167 292 G HA3 0.361 4.321 3.960 0.000 0.000 0.167 292 G C -0.555 174.277 174.900 -0.113 0.000 1.212 292 G CA -0.922 44.133 45.100 -0.076 0.000 0.928 292 G HN 0.528 nan 8.290 nan 0.000 0.607 293 R N 0.608 120.991 120.500 -0.195 0.000 2.523 293 R HA 0.035 4.375 4.340 0.000 0.000 0.281 293 R C 0.222 176.467 176.300 -0.092 0.000 0.969 293 R CA 1.229 57.216 56.100 -0.187 0.000 1.093 293 R CB -0.251 29.852 30.300 -0.327 0.000 0.917 293 R HN 0.723 nan 8.270 nan 0.000 0.408 294 E N 2.281 122.468 120.200 -0.022 0.000 2.883 294 E HA -0.343 4.007 4.350 0.000 0.000 0.271 294 E C 0.240 176.698 176.600 -0.236 0.000 1.049 294 E CA 0.512 56.902 56.400 -0.017 0.000 0.817 294 E CB -1.314 28.516 29.700 0.216 0.000 1.407 294 E HN 0.888 nan 8.360 nan 0.000 0.434 295 A N -2.054 120.660 122.820 -0.177 0.000 2.899 295 A HA -0.282 4.038 4.320 0.000 0.000 0.257 295 A C -0.112 177.332 177.584 -0.233 0.000 1.335 295 A CA 1.629 53.545 52.037 -0.202 0.000 0.924 295 A CB -2.118 16.755 19.000 -0.211 0.000 1.105 295 A HN 0.402 nan 8.150 nan 0.000 0.765 296 Y N 0.558 120.833 120.300 -0.041 0.000 2.309 296 Y HA 0.474 5.024 4.550 0.000 0.000 0.327 296 Y C -1.314 174.589 175.900 0.005 0.000 1.172 296 Y CA -1.516 56.595 58.100 0.018 0.000 1.280 296 Y CB 0.466 38.996 38.460 0.116 0.000 1.234 296 Y HN 0.242 nan 8.280 nan 0.000 0.512 297 P HA -0.003 nan 4.420 nan 0.000 0.269 297 P C 0.639 178.070 177.300 0.220 0.000 1.215 297 P CA 0.126 63.316 63.100 0.150 0.000 0.780 297 P CB 0.863 32.627 31.700 0.107 0.000 0.898 298 G N 1.450 110.346 108.800 0.161 0.000 2.535 298 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 298 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 298 G C 0.507 175.554 174.900 0.244 0.000 1.122 298 G CA 0.462 45.663 45.100 0.169 0.000 0.769 298 G HN 0.636 nan 8.290 nan 0.000 0.549 299 D N -0.445 120.141 120.400 0.311 0.000 2.593 299 D HA 0.114 4.754 4.640 0.000 0.000 0.241 299 D C 1.493 178.031 176.300 0.397 0.000 1.257 299 D CA -0.506 53.721 54.000 0.379 0.000 0.828 299 D CB 0.087 41.127 40.800 0.401 0.000 1.049 299 D HN 0.046 nan 8.370 nan 0.000 0.490 300 V N -0.314 119.834 119.914 0.390 0.000 2.453 300 V HA -0.061 4.059 4.120 0.000 0.000 0.247 300 V C 1.761 177.895 176.094 0.066 0.000 1.048 300 V CA 1.110 63.547 62.300 0.228 0.000 1.049 300 V CB -0.642 31.340 31.823 0.266 0.000 0.672 300 V HN 0.227 nan 8.190 nan 0.000 0.457 301 F N 0.004 120.005 119.950 0.084 0.000 2.134 301 F HA -0.225 4.302 4.527 0.000 0.000 0.299 301 F C 2.189 178.055 175.800 0.110 0.000 1.097 301 F CA 2.341 60.367 58.000 0.043 0.000 1.264 301 F CB -0.568 38.470 39.000 0.063 0.000 1.001 301 F HN 0.362 nan 8.300 nan 0.000 0.479 302 Y N 0.744 121.159 120.300 0.191 0.000 2.193 302 Y HA -0.251 4.299 4.550 0.000 0.000 0.285 302 Y C 2.173 178.038 175.900 -0.058 0.000 1.166 302 Y CA 1.735 59.885 58.100 0.083 0.000 1.181 302 Y CB -1.014 37.521 38.460 0.124 0.000 0.976 302 Y HN 0.266 nan 8.280 nan 0.000 0.520 303 L N -0.473 120.654 121.223 -0.161 0.000 1.994 303 L HA -0.245 4.095 4.340 0.000 0.000 0.208 303 L C 2.309 179.076 176.870 -0.172 0.000 1.071 303 L CA 2.342 57.010 54.840 -0.285 0.000 0.745 303 L CB -0.798 40.977 42.059 -0.473 0.000 0.892 303 L HN 0.299 nan 8.230 nan 0.000 0.431 304 H N -1.475 117.450 119.070 -0.241 0.000 2.436 304 H HA -0.055 4.501 4.556 0.000 0.000 0.294 304 H C 2.375 177.494 175.328 -0.348 0.000 1.048 304 H CA 0.891 56.739 56.048 -0.334 0.000 1.353 304 H CB 0.062 29.609 29.762 -0.359 0.000 1.414 304 H HN 0.542 nan 8.280 nan 0.000 0.536 305 S N 0.952 116.475 115.700 -0.296 0.000 2.383 305 S HA -0.153 4.317 4.470 0.000 0.000 0.227 305 S C 2.004 176.548 174.600 -0.093 0.000 1.026 305 S CA 0.649 58.697 58.200 -0.254 0.000 0.981 305 S CB -0.130 62.881 63.200 -0.315 0.000 0.818 305 S HN 0.320 nan 8.310 nan 0.000 0.472 306 R N 0.509 120.959 120.500 -0.085 0.000 2.080 306 R HA -0.042 4.298 4.340 0.000 0.000 0.236 306 R C 2.482 178.806 176.300 0.040 0.000 1.137 306 R CA 1.739 57.809 56.100 -0.051 0.000 0.943 306 R CB -0.647 29.529 30.300 -0.207 0.000 0.846 306 R HN 0.491 nan 8.270 nan 0.000 0.431 307 L N 0.638 121.893 121.223 0.053 0.000 2.109 307 L HA -0.078 4.262 4.340 0.000 0.000 0.207 307 L C 1.874 178.658 176.870 -0.142 0.000 1.086 307 L CA 1.528 56.309 54.840 -0.097 0.000 0.760 307 L CB -0.068 41.632 42.059 -0.597 0.000 0.910 307 L HN 0.134 nan 8.230 nan 0.000 0.437 308 L N -0.858 120.273 121.223 -0.152 0.000 2.270 308 L HA -0.008 4.332 4.340 0.000 0.000 0.210 308 L C 2.311 179.161 176.870 -0.034 0.000 1.104 308 L CA 0.333 55.110 54.840 -0.106 0.000 0.804 308 L CB -0.543 41.427 42.059 -0.148 0.000 0.937 308 L HN 0.244 nan 8.230 nan 0.000 0.450 309 E N 0.507 120.692 120.200 -0.024 0.000 2.338 309 E HA -0.131 4.219 4.350 0.000 0.000 0.197 309 E C 2.009 178.622 176.600 0.023 0.000 1.007 309 E CA 0.524 56.928 56.400 0.006 0.000 0.849 309 E CB -0.059 29.653 29.700 0.019 0.000 0.774 309 E HN 0.431 nan 8.360 nan 0.000 0.506 310 R N 0.576 121.093 120.500 0.029 0.000 2.285 310 R HA 0.042 4.382 4.340 0.000 0.000 0.213 310 R C 0.740 177.073 176.300 0.055 0.000 1.068 310 R CA 0.453 56.583 56.100 0.049 0.000 1.004 310 R CB 0.055 30.396 30.300 0.068 0.000 0.873 310 R HN -0.064 nan 8.270 nan 0.000 0.467 311 A N 0.974 123.825 122.820 0.052 0.000 2.320 311 A HA 0.653 4.973 4.320 0.000 0.000 0.287 311 A C -0.373 177.232 177.584 0.036 0.000 1.181 311 A CA -0.172 51.894 52.037 0.049 0.000 0.831 311 A CB 0.735 19.764 19.000 0.048 0.000 1.102 311 A HN 0.261 nan 8.150 nan 0.000 0.513 312 A N 2.244 125.086 122.820 0.037 0.000 2.609 312 A HA 0.738 5.058 4.320 0.000 0.000 0.291 312 A C -0.834 176.773 177.584 0.039 0.000 1.096 312 A CA -0.761 51.297 52.037 0.034 0.000 0.684 312 A CB 1.191 20.210 19.000 0.032 0.000 1.282 312 A HN 0.841 nan 8.150 nan 0.000 0.412 313 K N 1.534 121.959 120.400 0.041 0.000 2.334 313 K HA 0.638 4.958 4.320 0.000 0.000 0.265 313 K C -1.182 175.449 176.600 0.051 0.000 1.039 313 K CA -0.200 56.119 56.287 0.054 0.000 0.920 313 K CB 0.094 32.630 32.500 0.060 0.000 1.160 313 K HN 0.594 nan 8.250 nan 0.000 0.451 314 L N 2.953 124.202 121.223 0.043 0.000 2.452 314 L HA 0.210 4.550 4.340 0.000 0.000 0.267 314 L C 0.610 177.501 176.870 0.034 0.000 1.188 314 L CA -0.328 54.528 54.840 0.027 0.000 0.821 314 L CB 1.001 43.062 42.059 0.004 0.000 1.102 314 L HN 0.865 nan 8.230 nan 0.000 0.470 315 S N 0.563 116.276 115.700 0.021 0.000 2.584 315 S HA 0.034 4.504 4.470 0.000 0.000 0.270 315 S C 0.874 175.483 174.600 0.015 0.000 1.346 315 S CA -0.497 57.715 58.200 0.019 0.000 1.018 315 S CB 0.986 64.192 63.200 0.009 0.000 0.899 315 S HN 0.708 nan 8.310 nan 0.000 0.542 316 E N 0.934 121.144 120.200 0.016 0.000 2.130 316 E HA -0.229 4.121 4.350 0.000 0.000 0.196 316 E C 1.924 178.525 176.600 0.001 0.000 0.998 316 E CA 1.359 57.766 56.400 0.012 0.000 0.806 316 E CB -0.168 29.537 29.700 0.008 0.000 0.738 316 E HN 0.790 nan 8.360 nan 0.000 0.459 317 K N 0.763 121.161 120.400 -0.003 0.000 2.103 317 K HA -0.162 4.158 4.320 0.000 0.000 0.207 317 K C 0.988 177.579 176.600 -0.015 0.000 1.048 317 K CA 1.176 57.458 56.287 -0.008 0.000 0.930 317 K CB 0.181 32.676 32.500 -0.007 0.000 0.716 317 K HN -0.028 nan 8.250 nan 0.000 0.444 318 E N -0.464 119.727 120.200 -0.015 0.000 2.349 318 E HA 0.079 4.429 4.350 0.000 0.000 0.201 318 E C 0.503 177.080 176.600 -0.039 0.000 1.087 318 E CA 0.452 56.835 56.400 -0.028 0.000 1.128 318 E CB 0.713 30.399 29.700 -0.023 0.000 1.188 318 E HN 0.584 nan 8.360 nan 0.000 0.445 319 G N 1.394 110.174 108.800 -0.033 0.000 2.162 319 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 319 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 319 G C 0.599 175.477 174.900 -0.036 0.000 0.976 319 G CA 0.442 45.516 45.100 -0.043 0.000 0.655 319 G HN 0.217 nan 8.290 nan 0.000 0.533 320 S N -1.475 114.218 115.700 -0.010 0.000 3.521 320 S HA -0.143 4.327 4.470 0.000 0.000 0.328 320 S C 1.704 176.303 174.600 -0.002 0.000 1.165 320 S CA 1.425 59.641 58.200 0.026 0.000 0.941 320 S CB -1.451 61.790 63.200 0.068 0.000 0.951 320 S HN 2.227 nan 8.310 nan 0.000 0.539 321 G N 0.815 109.576 108.800 -0.065 0.000 2.699 321 G HA2 0.447 4.407 3.960 0.000 0.000 0.246 321 G HA3 0.447 4.407 3.960 0.000 0.000 0.246 321 G C -0.165 174.722 174.900 -0.023 0.000 1.219 321 G CA 0.527 45.552 45.100 -0.124 0.000 0.866 321 G HN 0.901 nan 8.290 nan 0.000 0.572 322 S N -0.793 114.906 115.700 -0.001 0.000 2.566 322 S HA 0.495 4.965 4.470 0.000 0.000 0.273 322 S C -1.511 173.147 174.600 0.097 0.000 1.157 322 S CA -0.706 57.565 58.200 0.118 0.000 0.938 322 S CB 1.446 64.859 63.200 0.356 0.000 1.087 322 S HN 0.836 nan 8.310 nan 0.000 0.474 323 L N 4.444 125.710 121.223 0.072 0.000 2.372 323 L HA 0.715 5.055 4.340 0.000 0.000 0.274 323 L C -0.646 176.244 176.870 0.032 0.000 0.988 323 L CA 0.257 55.133 54.840 0.060 0.000 0.833 323 L CB 1.924 44.024 42.059 0.068 0.000 1.236 323 L HN 0.739 nan 8.230 nan 0.000 0.410 324 T N 4.217 118.775 114.554 0.007 0.000 2.797 324 T HA 0.824 5.174 4.350 0.000 0.000 0.279 324 T C -0.353 174.324 174.700 -0.039 0.000 0.991 324 T CA -0.387 61.702 62.100 -0.018 0.000 0.979 324 T CB 1.489 70.332 68.868 -0.041 0.000 0.943 324 T HN 0.745 nan 8.240 nan 0.000 0.444 325 A N 3.404 126.208 122.820 -0.027 0.000 2.331 325 A HA 0.759 5.079 4.320 0.000 0.000 0.320 325 A C -0.469 177.090 177.584 -0.041 0.000 1.138 325 A CA -0.750 51.265 52.037 -0.037 0.000 0.790 325 A CB 0.486 19.535 19.000 0.081 0.000 1.206 325 A HN 0.875 nan 8.150 nan 0.000 0.470 326 L N 4.750 125.922 121.223 -0.085 0.000 2.435 326 L HA 0.322 4.662 4.340 0.000 0.000 0.253 326 L C -2.281 174.565 176.870 -0.039 0.000 1.087 326 L CA -1.721 53.083 54.840 -0.060 0.000 0.950 326 L CB 1.337 43.360 42.059 -0.059 0.000 1.304 326 L HN 0.490 nan 8.230 nan 0.000 0.453 327 P HA 0.120 nan 4.420 nan 0.000 0.275 327 P C -0.531 176.745 177.300 -0.040 0.000 1.228 327 P CA -0.114 63.024 63.100 0.063 0.000 0.786 327 P CB 2.024 33.718 31.700 -0.010 0.000 0.927 328 V N 4.455 124.341 119.914 -0.047 0.000 2.448 328 V HA 0.384 4.505 4.120 0.000 0.000 0.295 328 V C 0.356 176.402 176.094 -0.079 0.000 1.025 328 V CA -0.581 61.684 62.300 -0.059 0.000 0.859 328 V CB 1.639 33.444 31.823 -0.030 0.000 0.988 328 V HN 0.429 nan 8.190 nan 0.000 0.431 329 I N 3.617 124.137 120.570 -0.083 0.000 2.509 329 I HA 0.465 4.635 4.170 0.000 0.000 0.293 329 I C -0.063 176.036 176.117 -0.031 0.000 1.020 329 I CA -0.408 60.850 61.300 -0.071 0.000 1.088 329 I CB 2.149 40.090 38.000 -0.098 0.000 1.267 329 I HN 0.734 nan 8.210 nan 0.000 0.430 330 E N 4.949 125.149 120.200 -0.001 0.000 2.113 330 E HA 0.357 4.707 4.350 0.000 0.000 0.273 330 E C -0.572 176.054 176.600 0.043 0.000 0.924 330 E CA -0.395 56.018 56.400 0.022 0.000 0.764 330 E CB 1.240 30.958 29.700 0.030 0.000 1.104 330 E HN 0.707 nan 8.360 nan 0.000 0.406 331 T N 1.958 116.544 114.554 0.052 0.000 2.874 331 T HA 0.287 4.638 4.350 0.000 0.000 0.281 331 T C 0.019 174.760 174.700 0.069 0.000 0.994 331 T CA -0.941 61.202 62.100 0.071 0.000 1.015 331 T CB 1.390 70.312 68.868 0.091 0.000 1.028 331 T HN 0.314 nan 8.240 nan 0.000 0.523 332 Q N 0.724 120.569 119.800 0.075 0.000 2.394 332 Q HA 0.474 4.814 4.340 0.000 0.000 0.259 332 Q C 0.831 176.869 176.000 0.064 0.000 1.021 332 Q CA -0.043 55.800 55.803 0.067 0.000 0.805 332 Q CB 0.940 29.721 28.738 0.071 0.000 1.226 332 Q HN 1.323 nan 8.270 nan 0.000 0.476 333 G N 1.545 110.380 108.800 0.058 0.000 2.246 333 G HA2 -0.194 3.766 3.960 0.000 0.000 0.273 333 G HA3 -0.194 3.766 3.960 0.000 0.000 0.273 333 G C 0.799 175.733 174.900 0.057 0.000 1.055 333 G CA 0.613 45.744 45.100 0.053 0.000 0.851 333 G HN 1.235 nan 8.290 nan 0.000 0.500 334 G N -0.845 107.996 108.800 0.067 0.000 2.175 334 G HA2 -0.278 3.683 3.960 0.000 0.000 0.265 334 G HA3 -0.278 3.683 3.960 0.000 0.000 0.265 334 G C 0.306 175.254 174.900 0.080 0.000 0.979 334 G CA 1.063 46.209 45.100 0.076 0.000 0.663 334 G HN 1.407 nan 8.290 nan 0.000 0.533 335 D N 0.540 120.987 120.400 0.079 0.000 2.359 335 D HA 0.384 5.024 4.640 0.000 0.000 0.250 335 D C 1.728 178.089 176.300 0.101 0.000 1.264 335 D CA 0.451 54.499 54.000 0.080 0.000 0.911 335 D CB 0.698 41.545 40.800 0.077 0.000 1.056 335 D HN 0.559 nan 8.370 nan 0.000 0.499 336 V N 1.017 120.998 119.914 0.111 0.000 3.649 336 V HA 0.106 4.226 4.120 0.000 0.000 0.275 336 V C 1.234 177.394 176.094 0.109 0.000 1.281 336 V CA 0.273 62.659 62.300 0.144 0.000 1.143 336 V CB 0.049 32.009 31.823 0.228 0.000 0.892 336 V HN 0.315 nan 8.190 nan 0.000 0.441 337 S N 0.744 116.499 115.700 0.091 0.000 2.540 337 S HA 0.576 5.047 4.470 0.000 0.000 0.218 337 S C 1.208 175.871 174.600 0.105 0.000 0.977 337 S CA 0.306 58.558 58.200 0.086 0.000 0.918 337 S CB 0.263 63.505 63.200 0.071 0.000 0.806 337 S HN 0.809 nan 8.310 nan 0.000 0.496 338 A N 0.822 123.710 122.820 0.113 0.000 2.466 338 A HA 0.325 4.645 4.320 0.000 0.000 0.238 338 A C 0.863 178.546 177.584 0.165 0.000 1.074 338 A CA -0.159 51.967 52.037 0.148 0.000 0.774 338 A CB -0.140 18.944 19.000 0.140 0.000 1.015 338 A HN 0.357 nan 8.150 nan 0.000 0.498 339 Y N 1.821 122.180 120.300 0.099 0.000 2.053 339 Y HA -0.264 4.287 4.550 0.000 0.000 0.277 339 Y C 1.847 177.770 175.900 0.038 0.000 1.159 339 Y CA 2.539 60.688 58.100 0.082 0.000 1.125 339 Y CB -0.104 38.428 38.460 0.120 0.000 0.969 339 Y HN 0.546 nan 8.280 nan 0.000 0.492 340 I N 0.297 120.824 120.570 -0.071 0.000 2.163 340 I HA -0.169 4.001 4.170 0.000 0.000 0.240 340 I C -0.377 175.681 176.117 -0.098 0.000 1.081 340 I CA 1.280 62.482 61.300 -0.164 0.000 1.353 340 I CB -2.814 35.127 38.000 -0.098 0.000 1.054 340 I HN 0.157 nan 8.210 nan 0.000 0.407 341 P HA -0.127 nan 4.420 nan 0.000 0.216 341 P C 1.844 179.137 177.300 -0.013 0.000 1.153 341 P CA 1.794 64.886 63.100 -0.014 0.000 0.858 341 P CB -0.169 31.555 31.700 0.040 0.000 0.789 342 T N -0.721 113.826 114.554 -0.011 0.000 2.665 342 T HA -0.169 4.181 4.350 0.000 0.000 0.268 342 T C 1.616 176.313 174.700 -0.005 0.000 1.035 342 T CA 1.701 63.801 62.100 0.000 0.000 1.151 342 T CB -0.939 67.928 68.868 -0.001 0.000 0.862 342 T HN 0.123 nan 8.240 nan 0.000 0.438 343 N N 0.765 119.422 118.700 -0.071 0.000 2.025 343 N HA -0.075 4.665 4.740 0.000 0.000 0.194 343 N C 1.982 177.498 175.510 0.009 0.000 1.044 343 N CA 0.992 54.072 53.050 0.049 0.000 0.851 343 N CB -0.967 37.492 38.487 -0.047 0.000 1.036 343 N HN 0.196 nan 8.380 nan 0.000 0.422 344 V N 1.496 121.364 119.914 -0.076 0.000 2.358 344 V HA -0.144 3.976 4.120 0.000 0.000 0.246 344 V C 2.258 178.301 176.094 -0.085 0.000 1.047 344 V CA 1.064 63.283 62.300 -0.135 0.000 1.035 344 V CB -0.495 31.195 31.823 -0.221 0.000 0.658 344 V HN 0.233 nan 8.190 nan 0.000 0.452 345 I N 1.150 121.692 120.570 -0.047 0.000 2.118 345 I HA -0.307 3.863 4.170 0.000 0.000 0.241 345 I C 2.696 178.823 176.117 0.016 0.000 1.070 345 I CA 2.240 63.530 61.300 -0.017 0.000 1.327 345 I CB -0.456 37.569 38.000 0.041 0.000 1.034 345 I HN 0.502 nan 8.210 nan 0.000 0.405 346 S N 0.491 116.222 115.700 0.052 0.000 2.436 346 S HA -0.028 4.442 4.470 0.000 0.000 0.228 346 S C 1.962 176.611 174.600 0.082 0.000 1.014 346 S CA 0.535 58.784 58.200 0.082 0.000 0.950 346 S CB -0.535 62.736 63.200 0.119 0.000 0.784 346 S HN 0.405 nan 8.310 nan 0.000 0.504 347 I N 2.305 122.902 120.570 0.046 0.000 2.252 347 I HA -0.072 4.098 4.170 0.000 0.000 0.245 347 I C 1.830 177.932 176.117 -0.024 0.000 1.102 347 I CA 1.134 62.426 61.300 -0.014 0.000 1.385 347 I CB -0.798 37.105 38.000 -0.161 0.000 1.064 347 I HN 0.497 nan 8.210 nan 0.000 0.414 348 T N -2.380 112.150 114.554 -0.040 0.000 2.732 348 T HA 0.058 4.408 4.350 0.000 0.000 0.287 348 T C 0.678 175.369 174.700 -0.014 0.000 0.993 348 T CA -0.463 61.614 62.100 -0.039 0.000 0.966 348 T CB 0.845 69.675 68.868 -0.064 0.000 1.047 348 T HN 0.062 nan 8.240 nan 0.000 0.527 349 D N -0.137 120.254 120.400 -0.015 0.000 2.354 349 D HA 0.298 4.939 4.640 0.000 0.000 0.209 349 D C 0.943 177.243 176.300 -0.000 0.000 1.015 349 D CA 0.585 54.584 54.000 -0.002 0.000 0.867 349 D CB 0.391 41.190 40.800 -0.002 0.000 0.933 349 D HN 0.872 nan 8.370 nan 0.000 0.520 350 G N 0.017 108.807 108.800 -0.015 0.000 2.328 350 G HA2 0.364 4.325 3.960 0.000 0.000 0.295 350 G HA3 0.364 4.325 3.960 0.000 0.000 0.295 350 G C -1.902 172.961 174.900 -0.062 0.000 1.413 350 G CA -0.735 44.357 45.100 -0.013 0.000 0.817 350 G HN -0.110 nan 8.290 nan 0.000 0.546 351 Q N -0.713 119.044 119.800 -0.072 0.000 2.372 351 Q HA 0.687 5.027 4.340 0.000 0.000 0.273 351 Q C -0.579 175.306 176.000 -0.191 0.000 1.078 351 Q CA -0.443 55.215 55.803 -0.242 0.000 0.806 351 Q CB 2.754 31.220 28.738 -0.454 0.000 1.332 351 Q HN 0.551 nan 8.270 nan 0.000 0.435 352 I N 2.805 123.224 120.570 -0.250 0.000 2.371 352 I HA 0.339 4.509 4.170 0.000 0.000 0.282 352 I C -0.861 175.150 176.117 -0.177 0.000 1.031 352 I CA -0.531 60.697 61.300 -0.120 0.000 1.180 352 I CB 0.462 38.424 38.000 -0.063 0.000 1.336 352 I HN 0.474 nan 8.210 nan 0.000 0.467 353 F N 6.702 126.661 119.950 0.014 0.000 2.413 353 F HA 0.337 4.864 4.527 0.000 0.000 0.359 353 F C 0.263 176.077 175.800 0.022 0.000 1.122 353 F CA -0.269 57.742 58.000 0.017 0.000 1.160 353 F CB 0.518 39.530 39.000 0.019 0.000 1.146 353 F HN 0.248 nan 8.300 nan 0.000 0.514 354 L N 4.207 125.521 121.223 0.152 0.000 2.312 354 L HA 0.420 4.760 4.340 0.000 0.000 0.281 354 L C -0.100 176.850 176.870 0.133 0.000 1.070 354 L CA -0.218 54.693 54.840 0.120 0.000 0.805 354 L CB 1.085 43.189 42.059 0.075 0.000 1.174 354 L HN 0.565 nan 8.230 nan 0.000 0.434 355 E N 0.830 121.101 120.200 0.119 0.000 2.293 355 E HA 0.410 4.760 4.350 0.000 0.000 0.270 355 E C -0.017 176.641 176.600 0.097 0.000 0.879 355 E CA -0.526 55.937 56.400 0.105 0.000 0.756 355 E CB 2.190 31.948 29.700 0.097 0.000 1.208 355 E HN 0.680 nan 8.360 nan 0.000 0.428 356 A N 2.487 125.356 122.820 0.082 0.000 1.968 356 A HA -0.136 4.184 4.320 0.000 0.000 0.217 356 A C 1.641 179.312 177.584 0.146 0.000 1.169 356 A CA 1.217 53.293 52.037 0.065 0.000 0.638 356 A CB -0.190 18.868 19.000 0.097 0.000 0.812 356 A HN 0.692 nan 8.150 nan 0.000 0.446 357 E N -0.148 120.149 120.200 0.162 0.000 2.153 357 E HA -0.122 4.228 4.350 0.000 0.000 0.194 357 E C 1.786 178.477 176.600 0.152 0.000 0.988 357 E CA 0.919 57.428 56.400 0.182 0.000 0.811 357 E CB -0.219 29.553 29.700 0.121 0.000 0.746 357 E HN 0.640 nan 8.360 nan 0.000 0.466 358 L N -0.141 121.149 121.223 0.112 0.000 2.217 358 L HA -0.109 4.231 4.340 0.000 0.000 0.211 358 L C 2.248 179.151 176.870 0.053 0.000 1.107 358 L CA 0.416 55.303 54.840 0.079 0.000 0.783 358 L CB -0.285 41.813 42.059 0.064 0.000 0.919 358 L HN 0.108 nan 8.230 nan 0.000 0.442 359 F N 0.329 120.206 119.950 -0.122 0.000 2.060 359 F HA -0.248 4.279 4.527 0.000 0.000 0.295 359 F C 2.258 177.921 175.800 -0.228 0.000 1.120 359 F CA 1.642 59.489 58.000 -0.255 0.000 1.205 359 F CB -0.357 38.347 39.000 -0.492 0.000 0.986 359 F HN -0.060 nan 8.300 nan 0.000 0.470 360 Y N -0.117 120.383 120.300 0.334 0.000 2.571 360 Y HA -0.071 4.479 4.550 0.000 0.000 0.294 360 Y C 2.179 178.142 175.900 0.104 0.000 1.141 360 Y CA 0.582 58.811 58.100 0.215 0.000 1.308 360 Y CB -0.718 37.839 38.460 0.162 0.000 1.002 360 Y HN -0.062 nan 8.280 nan 0.000 0.551 361 K N -0.473 120.035 120.400 0.181 0.000 2.217 361 K HA 0.043 4.363 4.320 0.000 0.000 0.202 361 K C 1.761 178.389 176.600 0.047 0.000 1.051 361 K CA 1.072 57.421 56.287 0.103 0.000 0.952 361 K CB -0.277 32.272 32.500 0.081 0.000 0.736 361 K HN 0.460 nan 8.250 nan 0.000 0.453 362 G N 0.332 109.125 108.800 -0.012 0.000 2.380 362 G HA2 -0.171 3.789 3.960 0.000 0.000 0.197 362 G HA3 -0.171 3.789 3.960 0.000 0.000 0.197 362 G C 0.218 175.041 174.900 -0.129 0.000 1.001 362 G CA -0.125 44.931 45.100 -0.074 0.000 0.668 362 G HN 0.184 nan 8.290 nan 0.000 0.483 363 I N 2.489 123.003 120.570 -0.093 0.000 2.573 363 I HA 0.275 4.445 4.170 0.000 0.000 0.295 363 I C 0.565 176.578 176.117 -0.174 0.000 1.141 363 I CA 0.502 61.749 61.300 -0.089 0.000 1.364 363 I CB -0.154 37.833 38.000 -0.022 0.000 1.447 363 I HN 0.074 nan 8.210 nan 0.000 0.571 364 R N 7.490 127.860 120.500 -0.217 0.000 2.532 364 R HA 0.418 4.758 4.340 0.000 0.000 0.297 364 R C -2.568 173.636 176.300 -0.161 0.000 0.984 364 R CA -1.812 54.114 56.100 -0.289 0.000 0.884 364 R CB 1.943 31.939 30.300 -0.506 0.000 1.182 364 R HN 0.265 nan 8.270 nan 0.000 0.442 365 P HA -0.041 nan 4.420 nan 0.000 0.267 365 P C -0.233 177.037 177.300 -0.051 0.000 1.200 365 P CA -0.009 63.045 63.100 -0.077 0.000 0.772 365 P CB 0.829 32.506 31.700 -0.037 0.000 0.855 366 A N 3.864 126.685 122.820 0.001 0.000 2.543 366 A HA 0.139 4.459 4.320 0.000 0.000 0.258 366 A C 0.920 178.540 177.584 0.061 0.000 1.391 366 A CA -0.344 51.717 52.037 0.039 0.000 1.066 366 A CB -1.457 17.629 19.000 0.143 0.000 0.972 366 A HN 0.493 nan 8.150 nan 0.000 0.560 367 I N 1.187 121.784 120.570 0.046 0.000 2.668 367 I HA -0.064 4.106 4.170 0.000 0.000 0.285 367 I C 0.658 176.824 176.117 0.082 0.000 1.168 367 I CA -0.069 61.272 61.300 0.069 0.000 1.424 367 I CB 0.305 38.336 38.000 0.052 0.000 1.377 367 I HN 0.292 nan 8.210 nan 0.000 0.560 368 N N 6.912 125.683 118.700 0.118 0.000 2.482 368 N HA 0.072 4.812 4.740 0.000 0.000 0.242 368 N C 0.814 176.387 175.510 0.106 0.000 1.100 368 N CA -0.043 53.069 53.050 0.103 0.000 0.946 368 N CB 1.110 39.657 38.487 0.099 0.000 1.227 368 N HN 0.430 nan 8.380 nan 0.000 0.508 369 V N 3.563 123.527 119.914 0.083 0.000 2.252 369 V HA -0.220 3.900 4.120 0.000 0.000 0.249 369 V C 2.435 178.574 176.094 0.075 0.000 1.056 369 V CA 2.346 64.695 62.300 0.081 0.000 1.022 369 V CB -1.042 30.826 31.823 0.076 0.000 0.641 369 V HN 0.712 nan 8.190 nan 0.000 0.445 370 G N -0.448 108.384 108.800 0.053 0.000 2.442 370 G HA2 -0.211 3.750 3.960 0.000 0.000 0.219 370 G HA3 -0.211 3.750 3.960 0.000 0.000 0.219 370 G C 1.546 176.452 174.900 0.010 0.000 1.141 370 G CA 1.163 46.280 45.100 0.028 0.000 0.763 370 G HN 0.499 nan 8.290 nan 0.000 0.554 371 L N 0.414 121.632 121.223 -0.008 0.000 2.253 371 L HA 0.160 4.500 4.340 0.000 0.000 0.205 371 L C 1.310 178.285 176.870 0.175 0.000 1.078 371 L CA -0.136 54.652 54.840 -0.086 0.000 0.805 371 L CB -0.270 41.517 42.059 -0.453 0.000 0.963 371 L HN -0.008 nan 8.230 nan 0.000 0.459 372 S N 0.615 116.495 115.700 0.300 0.000 2.560 372 S HA 0.305 4.775 4.470 0.000 0.000 0.284 372 S C -0.115 174.595 174.600 0.182 0.000 1.327 372 S CA -0.360 58.033 58.200 0.323 0.000 1.055 372 S CB 1.063 64.383 63.200 0.201 0.000 0.868 372 S HN 0.153 nan 8.310 nan 0.000 0.506 373 V N -0.212 119.791 119.914 0.148 0.000 3.114 373 V HA 0.892 5.012 4.120 0.000 0.000 0.308 373 V C -0.470 175.656 176.094 0.053 0.000 1.168 373 V CA -0.814 61.541 62.300 0.092 0.000 1.015 373 V CB 2.088 33.971 31.823 0.099 0.000 1.050 373 V HN 0.675 nan 8.190 nan 0.000 0.433 374 S N 0.791 116.515 115.700 0.039 0.000 2.652 374 S HA 0.468 4.938 4.470 0.000 0.000 0.252 374 S C 0.624 175.237 174.600 0.023 0.000 1.219 374 S CA -0.663 57.551 58.200 0.022 0.000 1.151 374 S CB 0.969 64.178 63.200 0.014 0.000 1.080 374 S HN 0.815 nan 8.310 nan 0.000 0.481 375 R N 2.270 122.784 120.500 0.023 0.000 2.241 375 R HA -0.028 4.312 4.340 0.000 0.000 0.224 375 R C 1.676 177.987 176.300 0.019 0.000 1.101 375 R CA 1.169 57.282 56.100 0.023 0.000 0.995 375 R CB -0.192 30.123 30.300 0.024 0.000 0.870 375 R HN 0.519 nan 8.270 nan 0.000 0.463 376 V N -0.266 119.656 119.914 0.014 0.000 2.379 376 V HA -0.007 4.113 4.120 0.000 0.000 0.245 376 V C 1.682 177.785 176.094 0.015 0.000 1.044 376 V CA 1.629 63.937 62.300 0.013 0.000 1.036 376 V CB -0.681 31.145 31.823 0.005 0.000 0.664 376 V HN 0.707 nan 8.190 nan 0.000 0.453 377 G N 0.175 108.984 108.800 0.014 0.000 2.536 377 G HA2 -0.362 3.598 3.960 0.000 0.000 0.280 377 G HA3 -0.362 3.598 3.960 0.000 0.000 0.280 377 G C 1.032 175.941 174.900 0.015 0.000 1.152 377 G CA 0.470 45.580 45.100 0.017 0.000 0.970 377 G HN 0.378 nan 8.290 nan 0.000 0.549 378 S N 0.931 116.642 115.700 0.018 0.000 2.402 378 S HA 0.144 4.614 4.470 0.000 0.000 0.229 378 S C 2.735 177.346 174.600 0.019 0.000 1.021 378 S CA 1.950 60.162 58.200 0.020 0.000 0.974 378 S CB -0.511 62.702 63.200 0.022 0.000 0.800 378 S HN 1.679 nan 8.310 nan 0.000 0.484 379 A N 1.119 123.953 122.820 0.023 0.000 2.076 379 A HA 0.145 4.465 4.320 0.000 0.000 0.220 379 A C 1.914 179.511 177.584 0.022 0.000 1.160 379 A CA 1.492 53.550 52.037 0.035 0.000 0.653 379 A CB -0.534 18.494 19.000 0.047 0.000 0.801 379 A HN 0.511 nan 8.150 nan 0.000 0.455 380 A N -1.609 121.210 122.820 -0.002 0.000 2.460 380 A HA 0.395 4.715 4.320 0.000 0.000 0.258 380 A C 0.598 178.158 177.584 -0.039 0.000 1.300 380 A CA -0.111 51.905 52.037 -0.035 0.000 0.913 380 A CB -0.060 18.917 19.000 -0.037 0.000 1.031 380 A HN 0.528 nan 8.150 nan 0.000 0.512 381 Q N 0.420 120.210 119.800 -0.017 0.000 2.333 381 Q HA 0.498 4.838 4.340 0.000 0.000 0.267 381 Q C -1.087 174.910 176.000 -0.005 0.000 1.012 381 Q CA -0.648 55.150 55.803 -0.009 0.000 0.824 381 Q CB 2.238 30.982 28.738 0.009 0.000 1.290 381 Q HN 0.189 nan 8.270 nan 0.000 0.449 382 V N 4.369 124.281 119.914 -0.004 0.000 2.493 382 V HA -0.098 4.022 4.120 0.000 0.000 0.292 382 V C 1.405 177.511 176.094 0.020 0.000 1.016 382 V CA 0.416 62.719 62.300 0.005 0.000 1.097 382 V CB 0.532 32.366 31.823 0.018 0.000 0.947 382 V HN 0.890 nan 8.190 nan 0.000 0.479 383 K N 4.236 124.649 120.400 0.021 0.000 2.127 383 K HA -0.241 4.079 4.320 0.000 0.000 0.208 383 K C 2.145 178.765 176.600 0.035 0.000 1.047 383 K CA 1.852 58.156 56.287 0.027 0.000 0.927 383 K CB -0.301 32.214 32.500 0.026 0.000 0.716 383 K HN 0.890 nan 8.250 nan 0.000 0.450 384 A N 0.558 123.399 122.820 0.035 0.000 1.883 384 A HA -0.183 4.137 4.320 0.000 0.000 0.217 384 A C 2.011 179.627 177.584 0.054 0.000 1.186 384 A CA 1.513 53.574 52.037 0.040 0.000 0.624 384 A CB -0.671 18.349 19.000 0.034 0.000 0.822 384 A HN 0.320 nan 8.150 nan 0.000 0.444 385 L N -0.047 121.207 121.223 0.052 0.000 2.141 385 L HA -0.092 4.248 4.340 0.000 0.000 0.209 385 L C 2.258 179.164 176.870 0.061 0.000 1.094 385 L CA 2.304 57.180 54.840 0.060 0.000 0.763 385 L CB -0.587 41.502 42.059 0.051 0.000 0.908 385 L HN 0.466 nan 8.230 nan 0.000 0.437 386 K N -0.838 119.593 120.400 0.051 0.000 2.097 386 K HA -0.201 4.119 4.320 0.000 0.000 0.206 386 K C 1.927 178.562 176.600 0.059 0.000 1.049 386 K CA 1.638 57.954 56.287 0.048 0.000 0.933 386 K CB 0.024 32.547 32.500 0.038 0.000 0.717 386 K HN 0.534 nan 8.250 nan 0.000 0.442 387 Q N 0.250 120.090 119.800 0.066 0.000 2.049 387 Q HA -0.112 4.228 4.340 0.000 0.000 0.198 387 Q C 2.178 178.239 176.000 0.102 0.000 0.971 387 Q CA 1.709 57.559 55.803 0.078 0.000 0.833 387 Q CB -0.117 28.668 28.738 0.078 0.000 0.896 387 Q HN 0.310 nan 8.270 nan 0.000 0.434 388 V N -1.877 118.111 119.914 0.123 0.000 2.515 388 V HA 0.010 4.130 4.120 0.000 0.000 0.250 388 V C 1.833 177.990 176.094 0.105 0.000 1.058 388 V CA 1.589 63.979 62.300 0.149 0.000 1.064 388 V CB -0.813 31.130 31.823 0.200 0.000 0.675 388 V HN 0.245 nan 8.190 nan 0.000 0.461 389 A N 0.618 123.492 122.820 0.089 0.000 2.379 389 A HA 0.515 4.835 4.320 0.000 0.000 0.236 389 A C 2.053 179.680 177.584 0.073 0.000 1.272 389 A CA 0.640 52.723 52.037 0.077 0.000 0.886 389 A CB -0.827 18.213 19.000 0.067 0.000 0.962 389 A HN 0.596 nan 8.150 nan 0.000 0.504 390 G N 1.071 109.915 108.800 0.072 0.000 2.553 390 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 390 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 390 G C 1.486 176.420 174.900 0.056 0.000 1.195 390 G CA 1.597 46.732 45.100 0.059 0.000 0.779 390 G HN 1.013 nan 8.290 nan 0.000 0.577 391 S N -0.341 115.408 115.700 0.081 0.000 2.574 391 S HA 0.344 4.814 4.470 0.000 0.000 0.242 391 S C 1.556 176.261 174.600 0.174 0.000 0.982 391 S CA -0.140 58.107 58.200 0.077 0.000 0.977 391 S CB 0.656 63.873 63.200 0.029 0.000 0.814 391 S HN 0.145 nan 8.310 nan 0.000 0.464 392 L N 2.240 123.551 121.223 0.147 0.000 2.109 392 L HA 0.215 4.555 4.340 0.000 0.000 0.207 392 L C 2.307 179.248 176.870 0.119 0.000 1.086 392 L CA 1.728 56.655 54.840 0.145 0.000 0.760 392 L CB -0.599 41.513 42.059 0.089 0.000 0.910 392 L HN 0.360 nan 8.230 nan 0.000 0.437 393 K N -0.787 119.662 120.400 0.082 0.000 2.103 393 K HA -0.224 4.096 4.320 0.000 0.000 0.207 393 K C 2.091 178.722 176.600 0.052 0.000 1.048 393 K CA 1.816 58.140 56.287 0.062 0.000 0.930 393 K CB -0.229 32.297 32.500 0.043 0.000 0.716 393 K HN 0.328 nan 8.250 nan 0.000 0.444 394 L N 0.466 121.702 121.223 0.023 0.000 1.937 394 L HA -0.122 4.218 4.340 0.000 0.000 0.213 394 L C 2.022 178.879 176.870 -0.022 0.000 1.077 394 L CA 1.699 56.504 54.840 -0.058 0.000 0.758 394 L CB -0.728 41.218 42.059 -0.188 0.000 0.888 394 L HN 0.099 nan 8.230 nan 0.000 0.433 395 F N -0.324 119.636 119.950 0.017 0.000 2.147 395 F HA -0.299 4.228 4.527 0.000 0.000 0.301 395 F C 2.312 178.152 175.800 0.066 0.000 1.084 395 F CA 1.817 59.829 58.000 0.020 0.000 1.268 395 F CB -0.730 38.258 39.000 -0.020 0.000 1.009 395 F HN 0.101 nan 8.300 nan 0.000 0.486 396 L N -1.182 120.186 121.223 0.243 0.000 2.093 396 L HA -0.171 4.169 4.340 0.000 0.000 0.208 396 L C 2.642 179.645 176.870 0.222 0.000 1.085 396 L CA 1.001 55.978 54.840 0.228 0.000 0.755 396 L CB -0.863 41.290 42.059 0.156 0.000 0.904 396 L HN 0.141 nan 8.230 nan 0.000 0.435 397 A N -0.405 122.495 122.820 0.133 0.000 1.898 397 A HA -0.226 4.094 4.320 0.000 0.000 0.216 397 A C 2.178 179.808 177.584 0.076 0.000 1.181 397 A CA 1.346 53.433 52.037 0.083 0.000 0.620 397 A CB -0.389 18.637 19.000 0.042 0.000 0.819 397 A HN 0.442 nan 8.150 nan 0.000 0.442 398 Q N -2.057 117.793 119.800 0.083 0.000 2.224 398 Q HA -0.154 4.186 4.340 0.000 0.000 0.203 398 Q C 1.905 177.990 176.000 0.141 0.000 0.970 398 Q CA 1.549 57.398 55.803 0.077 0.000 0.865 398 Q CB -0.332 28.427 28.738 0.035 0.000 0.922 398 Q HN 0.849 nan 8.270 nan 0.000 0.445 399 Y N 1.357 121.702 120.300 0.076 0.000 2.163 399 Y HA -0.156 4.394 4.550 0.000 0.000 0.288 399 Y C 1.914 177.855 175.900 0.069 0.000 1.136 399 Y CA 1.509 59.657 58.100 0.080 0.000 1.147 399 Y CB 0.020 38.528 38.460 0.081 0.000 0.987 399 Y HN -0.140 nan 8.280 nan 0.000 0.509 400 R N 0.290 120.706 120.500 -0.139 0.000 2.148 400 R HA -0.131 4.209 4.340 0.000 0.000 0.227 400 R C 2.130 178.347 176.300 -0.140 0.000 1.103 400 R CA 1.507 57.469 56.100 -0.230 0.000 0.983 400 R CB -0.250 30.015 30.300 -0.058 0.000 0.874 400 R HN 0.532 nan 8.270 nan 0.000 0.451 401 E N 0.008 120.178 120.200 -0.049 0.000 2.106 401 E HA -0.120 4.230 4.350 0.000 0.000 0.192 401 E C 1.252 177.869 176.600 0.029 0.000 0.984 401 E CA 1.005 57.401 56.400 -0.007 0.000 0.806 401 E CB 0.240 29.955 29.700 0.026 0.000 0.750 401 E HN 0.064 nan 8.360 nan 0.000 0.458 402 V N 0.504 120.445 119.914 0.044 0.000 3.542 402 V HA 0.131 4.251 4.120 0.000 0.000 0.296 402 V C 1.559 177.715 176.094 0.103 0.000 1.364 402 V CA 0.590 63.014 62.300 0.207 0.000 1.118 402 V CB 0.397 32.335 31.823 0.191 0.000 0.972 402 V HN 0.226 nan 8.190 nan 0.000 0.430 403 A N 0.679 123.403 122.820 -0.161 0.000 2.024 403 A HA -0.139 4.181 4.320 0.000 0.000 0.220 403 A C 2.350 179.861 177.584 -0.122 0.000 1.164 403 A CA 1.881 53.757 52.037 -0.269 0.000 0.643 403 A CB -0.285 18.485 19.000 -0.385 0.000 0.806 403 A HN 0.607 nan 8.150 nan 0.000 0.451 404 A N -1.197 121.540 122.820 -0.139 0.000 2.015 404 A HA 0.061 4.381 4.320 0.000 0.000 0.219 404 A C 1.649 179.075 177.584 -0.262 0.000 1.163 404 A CA 1.046 52.940 52.037 -0.238 0.000 0.646 404 A CB -0.695 18.085 19.000 -0.368 0.000 0.806 404 A HN 0.499 nan 8.150 nan 0.000 0.448 405 F N 0.068 119.994 119.950 -0.040 0.000 2.802 405 F HA 0.305 4.832 4.527 0.000 0.000 0.300 405 F C 1.507 177.303 175.800 -0.008 0.000 1.168 405 F CA 0.210 58.199 58.000 -0.018 0.000 1.433 405 F CB -0.193 38.801 39.000 -0.010 0.000 1.115 405 F HN 0.241 nan 8.300 nan 0.000 0.582 411 D N 1.413 121.841 120.400 0.048 0.000 2.382 411 D HA 0.595 5.235 4.640 0.000 0.000 0.245 411 D C -0.608 175.711 176.300 0.032 0.000 1.120 411 D CA 0.554 54.575 54.000 0.034 0.000 0.890 411 D CB 1.048 41.868 40.800 0.033 0.000 1.201 411 D HN 0.452 nan 8.370 nan 0.000 0.433 412 L N 3.064 124.289 121.223 0.004 0.000 2.518 412 L HA 0.259 4.599 4.340 0.000 0.000 0.262 412 L C 0.385 177.232 176.870 -0.038 0.000 0.982 412 L CA -0.860 53.970 54.840 -0.017 0.000 0.873 412 L CB 1.323 43.381 42.059 -0.002 0.000 1.198 412 L HN 0.367 nan 8.230 nan 0.000 0.427 413 D N 2.450 122.808 120.400 -0.070 0.000 2.399 413 D HA 0.294 4.934 4.640 0.000 0.000 0.288 413 D C 1.112 177.375 176.300 -0.062 0.000 1.197 413 D CA -0.023 53.937 54.000 -0.066 0.000 1.081 413 D CB 0.797 41.547 40.800 -0.085 0.000 1.139 413 D HN 0.345 nan 8.370 nan 0.000 0.554 414 A N 0.506 123.291 122.820 -0.058 0.000 1.848 414 A HA -0.185 4.136 4.320 0.000 0.000 0.211 414 A C 2.329 179.887 177.584 -0.044 0.000 1.225 414 A CA 3.271 55.281 52.037 -0.045 0.000 0.637 414 A CB -1.417 17.559 19.000 -0.040 0.000 0.867 414 A HN 0.672 nan 8.150 nan 0.000 0.463 415 S N -1.017 114.655 115.700 -0.046 0.000 2.461 415 S HA -0.088 4.382 4.470 0.000 0.000 0.228 415 S C 1.686 176.269 174.600 -0.029 0.000 1.005 415 S CA 1.653 59.836 58.200 -0.029 0.000 0.942 415 S CB -1.079 62.108 63.200 -0.021 0.000 0.776 415 S HN 0.822 nan 8.310 nan 0.000 0.514 416 T N -0.770 113.742 114.554 -0.071 0.000 3.055 416 T HA 0.190 4.541 4.350 0.000 0.000 0.265 416 T C 1.568 176.242 174.700 -0.044 0.000 1.111 416 T CA 0.764 62.813 62.100 -0.085 0.000 1.118 416 T CB -0.257 68.471 68.868 -0.234 0.000 0.909 416 T HN 0.449 nan 8.240 nan 0.000 0.501 417 K N 0.621 120.996 120.400 -0.042 0.000 2.167 417 K HA -0.052 4.268 4.320 0.000 0.000 0.203 417 K C 2.526 179.117 176.600 -0.015 0.000 1.052 417 K CA 0.852 57.127 56.287 -0.021 0.000 0.956 417 K CB -0.055 32.428 32.500 -0.027 0.000 0.735 417 K HN 0.282 nan 8.250 nan 0.000 0.451 418 Q N 0.445 120.234 119.800 -0.018 0.000 2.046 418 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 418 Q C 1.544 177.535 176.000 -0.014 0.000 0.975 418 Q CA 2.504 58.292 55.803 -0.025 0.000 0.836 418 Q CB -0.523 28.205 28.738 -0.017 0.000 0.896 418 Q HN 0.259 nan 8.270 nan 0.000 0.428 419 T N 0.932 115.511 114.554 0.041 0.000 2.746 419 T HA -0.099 4.251 4.350 0.000 0.000 0.267 419 T C 1.749 176.500 174.700 0.085 0.000 1.039 419 T CA 1.253 63.412 62.100 0.099 0.000 1.142 419 T CB -0.387 68.582 68.868 0.169 0.000 0.866 419 T HN 0.223 nan 8.240 nan 0.000 0.444 420 L N 0.901 122.188 121.223 0.106 0.000 2.349 420 L HA -0.083 4.257 4.340 0.000 0.000 0.220 420 L C 2.378 179.262 176.870 0.024 0.000 1.130 420 L CA 0.537 55.462 54.840 0.142 0.000 0.791 420 L CB -0.346 41.791 42.059 0.129 0.000 0.918 420 L HN 0.166 nan 8.230 nan 0.000 0.444 421 V N -1.006 118.883 119.914 -0.042 0.000 2.346 421 V HA -0.167 3.954 4.120 0.000 0.000 0.244 421 V C 2.558 178.545 176.094 -0.178 0.000 1.037 421 V CA 1.328 63.568 62.300 -0.100 0.000 1.029 421 V CB -0.482 31.278 31.823 -0.105 0.000 0.663 421 V HN 0.385 nan 8.190 nan 0.000 0.454 422 R N 0.540 120.910 120.500 -0.216 0.000 2.070 422 R HA -0.088 4.252 4.340 0.000 0.000 0.232 422 R C 2.505 178.576 176.300 -0.382 0.000 1.138 422 R CA 1.639 57.553 56.100 -0.310 0.000 0.936 422 R CB -1.351 28.713 30.300 -0.393 0.000 0.839 422 R HN 0.549 nan 8.270 nan 0.000 0.429 423 G N 1.528 110.014 108.800 -0.523 0.000 2.513 423 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 423 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 423 G C 1.289 175.530 174.900 -1.098 0.000 1.160 423 G CA 1.060 45.430 45.100 -1.217 0.000 0.767 423 G HN 0.401 nan 8.290 nan 0.000 0.571 424 E N 0.010 119.802 120.200 -0.681 0.000 2.033 424 E HA -0.161 4.189 4.350 0.000 0.000 0.199 424 E C 2.773 179.240 176.600 -0.222 0.000 1.011 424 E CA 1.126 57.362 56.400 -0.274 0.000 0.815 424 E CB -0.150 29.484 29.700 -0.111 0.000 0.755 424 E HN 0.332 nan 8.360 nan 0.000 0.451 425 R N 0.187 120.548 120.500 -0.232 0.000 2.115 425 R HA -0.033 4.307 4.340 0.000 0.000 0.226 425 R C 2.388 178.577 176.300 -0.185 0.000 1.100 425 R CA 0.681 56.664 56.100 -0.194 0.000 0.980 425 R CB -0.100 30.070 30.300 -0.217 0.000 0.875 425 R HN 0.159 nan 8.270 nan 0.000 0.445 426 L N -0.411 120.680 121.223 -0.220 0.000 2.156 426 L HA -0.098 4.242 4.340 0.000 0.000 0.208 426 L C 2.089 178.890 176.870 -0.114 0.000 1.095 426 L CA 1.082 55.823 54.840 -0.164 0.000 0.770 426 L CB -0.384 41.569 42.059 -0.177 0.000 0.914 426 L HN 0.197 nan 8.230 nan 0.000 0.439 427 T N -1.188 113.283 114.554 -0.140 0.000 2.674 427 T HA -0.273 4.077 4.350 0.000 0.000 0.265 427 T C 1.829 176.502 174.700 -0.044 0.000 1.039 427 T CA 1.420 63.483 62.100 -0.062 0.000 1.150 427 T CB -0.165 68.686 68.868 -0.029 0.000 0.864 427 T HN 0.159 nan 8.240 nan 0.000 0.427 428 Q N 0.619 120.384 119.800 -0.060 0.000 2.135 428 Q HA 0.013 4.353 4.340 0.000 0.000 0.204 428 Q C 2.098 178.082 176.000 -0.027 0.000 0.981 428 Q CA 1.231 57.010 55.803 -0.041 0.000 0.856 428 Q CB -0.688 28.020 28.738 -0.049 0.000 0.902 428 Q HN 0.496 nan 8.270 nan 0.000 0.425 429 L N -0.600 120.601 121.223 -0.036 0.000 2.042 429 L HA -0.193 4.147 4.340 0.000 0.000 0.210 429 L C 1.875 178.749 176.870 0.008 0.000 1.076 429 L CA 1.060 55.896 54.840 -0.007 0.000 0.749 429 L CB -0.252 41.794 42.059 -0.021 0.000 0.893 429 L HN 0.330 nan 8.230 nan 0.000 0.432 430 L N -0.869 120.351 121.223 -0.004 0.000 2.478 430 L HA -0.055 4.285 4.340 0.000 0.000 0.223 430 L C 0.900 177.765 176.870 -0.008 0.000 1.140 430 L CA 0.204 55.045 54.840 0.002 0.000 0.842 430 L CB -0.324 41.738 42.059 0.005 0.000 0.953 430 L HN 0.118 nan 8.230 nan 0.000 0.452 431 K N 1.352 121.742 120.400 -0.017 0.000 2.382 431 K HA 0.190 4.510 4.320 0.000 0.000 0.275 431 K C -0.069 176.516 176.600 -0.025 0.000 1.009 431 K CA 0.328 56.594 56.287 -0.035 0.000 0.970 431 K CB 0.657 33.132 32.500 -0.041 0.000 0.934 431 K HN -0.007 nan 8.250 nan 0.000 0.479 432 Q N 2.445 122.218 119.800 -0.044 0.000 2.378 432 Q HA 0.142 4.482 4.340 0.000 0.000 0.262 432 Q C -1.571 174.397 176.000 -0.053 0.000 0.978 432 Q CA -0.771 55.013 55.803 -0.030 0.000 0.918 432 Q CB 1.338 30.065 28.738 -0.018 0.000 1.415 432 Q HN 0.539 nan 8.270 nan 0.000 0.409 433 N N 2.255 120.936 118.700 -0.033 0.000 2.508 433 N HA 0.054 4.794 4.740 0.000 0.000 0.264 433 N C -0.528 174.940 175.510 -0.069 0.000 1.216 433 N CA 0.034 53.060 53.050 -0.040 0.000 0.943 433 N CB 0.672 39.162 38.487 0.006 0.000 1.113 433 N HN 0.484 nan 8.380 nan 0.000 0.447 434 Q N 0.823 120.539 119.800 -0.140 0.000 2.432 434 Q HA -0.024 4.316 4.340 0.000 0.000 0.264 434 Q C -0.423 175.419 176.000 -0.264 0.000 1.035 434 Q CA -0.034 55.556 55.803 -0.355 0.000 0.908 434 Q CB 0.176 28.552 28.738 -0.603 0.000 1.280 434 Q HN 0.633 nan 8.270 nan 0.000 0.455 435 Y N -0.211 120.085 120.300 -0.008 0.000 3.491 435 Y HA -0.260 4.290 4.550 0.000 0.000 0.215 435 Y C -0.321 175.612 175.900 0.054 0.000 1.219 435 Y CA 0.765 58.862 58.100 -0.005 0.000 1.485 435 Y CB -2.385 36.093 38.460 0.030 0.000 1.450 435 Y HN 0.373 nan 8.280 nan 0.000 0.603 436 S N -0.291 115.472 115.700 0.105 0.000 2.407 436 S HA 0.292 4.762 4.470 0.000 0.000 0.166 436 S C -2.477 172.153 174.600 0.049 0.000 1.445 436 S CA -0.923 57.329 58.200 0.086 0.000 1.260 436 S CB 1.421 64.662 63.200 0.068 0.000 1.401 436 S HN 0.122 nan 8.310 nan 0.000 0.379 437 P HA 0.311 nan 4.420 nan 0.000 0.275 437 P C -0.667 176.651 177.300 0.030 0.000 1.228 437 P CA -0.412 62.711 63.100 0.039 0.000 0.786 437 P CB 0.880 32.610 31.700 0.050 0.000 0.927 438 L N 1.774 123.014 121.223 0.028 0.000 2.309 438 L HA 0.501 4.841 4.340 0.000 0.000 0.282 438 L C 1.000 177.881 176.870 0.018 0.000 1.036 438 L CA -1.105 53.746 54.840 0.019 0.000 0.806 438 L CB 1.370 43.446 42.059 0.028 0.000 1.220 438 L HN 0.425 nan 8.230 nan 0.000 0.429 439 A N 2.254 125.067 122.820 -0.012 0.000 2.520 439 A HA 0.095 4.415 4.320 0.000 0.000 0.235 439 A C 1.334 178.929 177.584 0.019 0.000 1.065 439 A CA 0.065 52.088 52.037 -0.024 0.000 0.764 439 A CB 0.264 19.218 19.000 -0.076 0.000 1.002 439 A HN 0.883 nan 8.150 nan 0.000 0.502 440 T N 0.651 115.238 114.554 0.056 0.000 2.699 440 T HA -0.156 4.194 4.350 0.000 0.000 0.268 440 T C 1.779 176.503 174.700 0.040 0.000 1.036 440 T CA 1.938 64.080 62.100 0.070 0.000 1.147 440 T CB -0.231 68.703 68.868 0.110 0.000 0.862 440 T HN 0.890 nan 8.240 nan 0.000 0.446 441 E N 1.200 121.409 120.200 0.014 0.000 2.472 441 E HA -0.132 4.218 4.350 0.000 0.000 0.200 441 E C 1.358 177.947 176.600 -0.019 0.000 1.046 441 E CA 0.972 57.367 56.400 -0.008 0.000 0.871 441 E CB -0.184 29.498 29.700 -0.031 0.000 0.806 441 E HN 0.599 nan 8.360 nan 0.000 0.533 442 E N 0.469 120.664 120.200 -0.009 0.000 2.307 442 E HA 0.007 4.357 4.350 0.000 0.000 0.195 442 E C 2.053 178.679 176.600 0.044 0.000 0.975 442 E CA 0.171 56.568 56.400 -0.006 0.000 0.878 442 E CB 0.162 29.852 29.700 -0.017 0.000 0.845 442 E HN 0.317 nan 8.360 nan 0.000 0.488 443 Q N 0.532 120.364 119.800 0.053 0.000 2.083 443 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 443 Q C 2.596 178.657 176.000 0.102 0.000 0.969 443 Q CA 1.560 57.408 55.803 0.076 0.000 0.838 443 Q CB -0.036 28.741 28.738 0.065 0.000 0.900 443 Q HN 0.264 nan 8.270 nan 0.000 0.436 444 V N -0.781 119.189 119.914 0.093 0.000 2.427 444 V HA -0.058 4.062 4.120 0.000 0.000 0.248 444 V C -1.041 175.158 176.094 0.174 0.000 1.051 444 V CA 1.027 63.397 62.300 0.117 0.000 1.048 444 V CB -1.506 30.369 31.823 0.087 0.000 0.666 444 V HN 0.126 nan 8.190 nan 0.000 0.456 445 P HA -0.074 nan 4.420 nan 0.000 0.216 445 P C 2.141 179.724 177.300 0.471 0.000 1.153 445 P CA 1.624 64.902 63.100 0.297 0.000 0.848 445 P CB -0.123 31.675 31.700 0.162 0.000 0.787 446 L N -1.435 120.008 121.223 0.367 0.000 2.046 446 L HA -0.168 4.172 4.340 0.000 0.000 0.208 446 L C 2.453 179.446 176.870 0.204 0.000 1.077 446 L CA 1.476 56.512 54.840 0.327 0.000 0.747 446 L CB -0.793 41.412 42.059 0.243 0.000 0.896 446 L HN -0.056 nan 8.230 nan 0.000 0.432 447 I N -1.486 119.190 120.570 0.177 0.000 2.252 447 I HA -0.328 3.842 4.170 0.000 0.000 0.245 447 I C 2.535 178.727 176.117 0.125 0.000 1.102 447 I CA 1.253 62.623 61.300 0.117 0.000 1.385 447 I CB -0.249 37.815 38.000 0.106 0.000 1.064 447 I HN 0.156 nan 8.210 nan 0.000 0.414 448 Y N 1.596 121.950 120.300 0.090 0.000 2.165 448 Y HA -0.320 4.230 4.550 0.000 0.000 0.286 448 Y C 2.499 178.465 175.900 0.110 0.000 1.155 448 Y CA 1.557 59.714 58.100 0.095 0.000 1.164 448 Y CB -0.241 38.279 38.460 0.101 0.000 0.978 448 Y HN 0.145 nan 8.280 nan 0.000 0.513 449 A N -0.149 122.808 122.820 0.228 0.000 1.978 449 A HA -0.118 4.202 4.320 0.000 0.000 0.220 449 A C 2.397 179.953 177.584 -0.046 0.000 1.170 449 A CA 1.798 53.876 52.037 0.067 0.000 0.636 449 A CB -1.560 17.386 19.000 -0.090 0.000 0.810 449 A HN 0.597 nan 8.150 nan 0.000 0.448 450 G N -0.863 107.889 108.800 -0.079 0.000 2.439 450 G HA2 0.017 3.977 3.960 0.000 0.000 0.212 450 G HA3 0.017 3.977 3.960 0.000 0.000 0.212 450 G C 1.466 176.222 174.900 -0.240 0.000 1.199 450 G CA 1.010 46.009 45.100 -0.168 0.000 0.807 450 G HN 0.284 nan 8.290 nan 0.000 0.537 451 V N 2.040 121.827 119.914 -0.212 0.000 2.407 451 V HA -0.165 3.955 4.120 0.000 0.000 0.248 451 V C 2.323 178.199 176.094 -0.364 0.000 1.055 451 V CA 1.727 63.864 62.300 -0.271 0.000 1.049 451 V CB -0.422 31.332 31.823 -0.115 0.000 0.662 451 V HN 0.375 nan 8.190 nan 0.000 0.455 452 N N 0.136 118.617 118.700 -0.364 0.000 2.424 452 N HA 0.074 4.814 4.740 0.000 0.000 0.178 452 N C 1.422 176.643 175.510 -0.482 0.000 1.060 452 N CA 1.098 53.905 53.050 -0.404 0.000 0.901 452 N CB 0.775 38.979 38.487 -0.471 0.000 0.979 452 N HN 0.602 nan 8.380 nan 0.000 0.451 453 G N 0.847 109.370 108.800 -0.461 0.000 2.226 453 G HA2 -0.196 3.764 3.960 0.000 0.000 0.176 453 G HA3 -0.196 3.764 3.960 0.000 0.000 0.176 453 G C 0.017 174.656 174.900 -0.436 0.000 1.042 453 G CA -0.248 44.599 45.100 -0.420 0.000 0.732 453 G HN 0.476 nan 8.290 nan 0.000 0.494 454 H N -0.653 118.283 119.070 -0.223 0.000 2.553 454 H HA 0.384 4.940 4.556 0.000 0.000 0.265 454 H C 2.388 177.553 175.328 -0.272 0.000 0.964 454 H CA 0.619 56.556 56.048 -0.186 0.000 1.156 454 H CB 0.348 30.036 29.762 -0.123 0.000 1.411 454 H HN 0.434 nan 8.280 nan 0.000 0.558 455 L N 0.017 121.085 121.223 -0.257 0.000 2.607 455 L HA 0.046 4.386 4.340 0.000 0.000 0.228 455 L C 0.846 177.541 176.870 -0.292 0.000 1.123 455 L CA 0.073 54.676 54.840 -0.395 0.000 0.890 455 L CB 0.323 42.115 42.059 -0.444 0.000 1.103 455 L HN 0.178 nan 8.230 nan 0.000 0.468 456 D N 0.680 120.941 120.400 -0.232 0.000 2.178 456 D HA -0.115 4.525 4.640 0.000 0.000 0.202 456 D C 2.122 178.332 176.300 -0.150 0.000 0.974 456 D CA 1.293 55.179 54.000 -0.190 0.000 0.841 456 D CB -0.048 40.643 40.800 -0.182 0.000 0.953 456 D HN 0.275 nan 8.370 nan 0.000 0.478 457 G N 1.011 109.727 108.800 -0.140 0.000 2.434 457 G HA2 -0.117 3.843 3.960 0.000 0.000 0.214 457 G HA3 -0.117 3.843 3.960 0.000 0.000 0.214 457 G C 0.647 175.485 174.900 -0.105 0.000 1.202 457 G CA -0.024 45.013 45.100 -0.106 0.000 0.788 457 G HN 0.269 nan 8.290 nan 0.000 0.539 458 I N 2.665 123.156 120.570 -0.131 0.000 2.828 458 I HA 0.060 4.230 4.170 0.000 0.000 0.292 458 I C 0.827 176.883 176.117 -0.101 0.000 1.206 458 I CA -0.231 61.002 61.300 -0.111 0.000 1.420 458 I CB 0.099 38.009 38.000 -0.150 0.000 1.368 458 I HN 0.469 nan 8.210 nan 0.000 0.556 459 E N 5.623 125.785 120.200 -0.065 0.000 2.438 459 E HA -0.067 4.283 4.350 0.000 0.000 0.261 459 E C 0.883 177.452 176.600 -0.052 0.000 1.103 459 E CA -0.662 55.706 56.400 -0.052 0.000 0.959 459 E CB 0.705 30.385 29.700 -0.032 0.000 0.958 459 E HN 0.556 nan 8.360 nan 0.000 0.447 460 L N 2.825 124.020 121.223 -0.046 0.000 2.013 460 L HA -0.259 4.081 4.340 0.000 0.000 0.212 460 L C 2.445 179.299 176.870 -0.027 0.000 1.073 460 L CA 2.748 57.561 54.840 -0.045 0.000 0.753 460 L CB -0.902 41.138 42.059 -0.032 0.000 0.890 460 L HN 0.840 nan 8.230 nan 0.000 0.432 461 S N -1.116 114.576 115.700 -0.012 0.000 2.419 461 S HA -0.162 4.308 4.470 0.000 0.000 0.233 461 S C 1.941 176.550 174.600 0.014 0.000 1.016 461 S CA 0.729 58.930 58.200 0.002 0.000 0.974 461 S CB -0.608 62.596 63.200 0.006 0.000 0.786 461 S HN 0.545 nan 8.310 nan 0.000 0.492 462 R N 0.318 120.827 120.500 0.016 0.000 2.310 462 R HA 0.281 4.621 4.340 0.000 0.000 0.202 462 R C 1.249 177.600 176.300 0.086 0.000 0.933 462 R CA 0.012 56.141 56.100 0.048 0.000 1.054 462 R CB -0.204 30.124 30.300 0.047 0.000 0.985 462 R HN 0.421 nan 8.270 nan 0.000 0.489 463 I N 0.233 120.831 120.570 0.047 0.000 2.361 463 I HA -0.142 4.028 4.170 0.000 0.000 0.251 463 I C 2.306 178.507 176.117 0.141 0.000 1.133 463 I CA 1.387 62.725 61.300 0.062 0.000 1.413 463 I CB -1.335 36.652 38.000 -0.022 0.000 1.073 463 I HN 0.206 nan 8.210 nan 0.000 0.424 464 G N 0.468 109.327 108.800 0.098 0.000 2.404 464 G HA2 -0.262 3.698 3.960 0.000 0.000 0.215 464 G HA3 -0.262 3.698 3.960 0.000 0.000 0.215 464 G C 1.582 176.555 174.900 0.123 0.000 1.174 464 G CA 0.651 45.809 45.100 0.096 0.000 0.780 464 G HN 0.458 nan 8.290 nan 0.000 0.537 465 E N -0.370 119.905 120.200 0.125 0.000 2.097 465 E HA -0.212 4.138 4.350 0.000 0.000 0.196 465 E C 2.091 178.804 176.600 0.188 0.000 1.000 465 E CA 1.044 57.523 56.400 0.132 0.000 0.804 465 E CB -0.295 29.476 29.700 0.118 0.000 0.740 465 E HN 0.401 nan 8.360 nan 0.000 0.454 466 F N 1.941 121.953 119.950 0.102 0.000 2.095 466 F HA -0.198 4.329 4.527 0.000 0.000 0.298 466 F C 2.348 178.252 175.800 0.174 0.000 1.104 466 F CA 2.168 60.263 58.000 0.159 0.000 1.232 466 F CB -0.268 38.784 39.000 0.087 0.000 0.987 466 F HN 0.068 nan 8.300 nan 0.000 0.475 467 E N -0.430 119.950 120.200 0.300 0.000 2.049 467 E HA -0.235 4.115 4.350 0.000 0.000 0.198 467 E C 2.345 178.977 176.600 0.053 0.000 1.007 467 E CA 1.691 58.212 56.400 0.201 0.000 0.809 467 E CB -0.359 29.450 29.700 0.182 0.000 0.749 467 E HN 0.411 nan 8.360 nan 0.000 0.450 468 S N -0.127 115.599 115.700 0.043 0.000 2.356 468 S HA -0.118 4.352 4.470 0.000 0.000 0.223 468 S C 2.119 176.689 174.600 -0.051 0.000 1.032 468 S CA 1.197 59.399 58.200 0.003 0.000 1.005 468 S CB -0.154 63.063 63.200 0.027 0.000 0.867 468 S HN 0.237 nan 8.310 nan 0.000 0.449 469 S N 0.932 116.606 115.700 -0.042 0.000 2.348 469 S HA -0.064 4.406 4.470 0.000 0.000 0.221 469 S C 1.543 175.859 174.600 -0.473 0.000 1.033 469 S CA 1.162 59.320 58.200 -0.069 0.000 1.010 469 S CB -0.515 62.827 63.200 0.237 0.000 0.891 469 S HN 0.545 nan 8.310 nan 0.000 0.442 470 F N 2.337 121.759 119.950 -0.879 0.000 2.095 470 F HA -0.097 4.430 4.527 0.000 0.000 0.298 470 F C 1.848 177.331 175.800 -0.529 0.000 1.104 470 F CA 1.179 58.509 58.000 -1.117 0.000 1.232 470 F CB -0.634 37.735 39.000 -1.052 0.000 0.987 470 F HN 0.109 nan 8.300 nan 0.000 0.475 471 L N -0.323 120.679 121.223 -0.368 0.000 2.005 471 L HA -0.224 4.116 4.340 0.000 0.000 0.207 471 L C 2.733 179.439 176.870 -0.274 0.000 1.072 471 L CA 1.660 56.307 54.840 -0.322 0.000 0.744 471 L CB -1.064 40.904 42.059 -0.152 0.000 0.895 471 L HN 0.274 nan 8.230 nan 0.000 0.433 472 S N -1.090 114.490 115.700 -0.199 0.000 2.423 472 S HA -0.263 4.207 4.470 0.000 0.000 0.231 472 S C 1.955 176.465 174.600 -0.150 0.000 1.014 472 S CA 0.952 59.065 58.200 -0.145 0.000 0.965 472 S CB -0.783 62.366 63.200 -0.086 0.000 0.785 472 S HN 0.529 nan 8.310 nan 0.000 0.495 473 Y N 1.971 122.057 120.300 -0.356 0.000 2.314 473 Y HA 0.201 4.751 4.550 0.000 0.000 0.293 473 Y C 1.844 177.570 175.900 -0.288 0.000 1.129 473 Y CA 1.014 58.913 58.100 -0.335 0.000 1.201 473 Y CB -0.221 37.893 38.460 -0.577 0.000 0.999 473 Y HN 0.200 nan 8.280 nan 0.000 0.541 474 L N 0.053 121.054 121.223 -0.371 0.000 2.179 474 L HA -0.115 4.225 4.340 0.000 0.000 0.208 474 L C 2.281 178.978 176.870 -0.289 0.000 1.096 474 L CA 1.131 55.753 54.840 -0.364 0.000 0.779 474 L CB -0.394 41.385 42.059 -0.467 0.000 0.922 474 L HN 0.122 nan 8.230 nan 0.000 0.443 475 K N -0.320 119.926 120.400 -0.256 0.000 2.097 475 K HA -0.085 4.235 4.320 0.000 0.000 0.205 475 K C 2.274 178.752 176.600 -0.203 0.000 1.050 475 K CA 1.456 57.625 56.287 -0.197 0.000 0.938 475 K CB -0.019 32.386 32.500 -0.158 0.000 0.718 475 K HN 0.161 nan 8.250 nan 0.000 0.442 476 S N 0.821 116.377 115.700 -0.240 0.000 2.362 476 S HA -0.013 4.457 4.470 0.000 0.000 0.221 476 S C 1.545 175.962 174.600 -0.305 0.000 1.032 476 S CA 0.922 58.983 58.200 -0.233 0.000 0.973 476 S CB -0.108 62.972 63.200 -0.201 0.000 0.849 476 S HN 0.333 nan 8.310 nan 0.000 0.465 477 N N 0.053 118.467 118.700 -0.477 0.000 2.436 477 N HA 0.047 4.787 4.740 0.000 0.000 0.178 477 N C 0.179 175.271 175.510 -0.696 0.000 1.026 477 N CA 0.681 53.339 53.050 -0.653 0.000 0.880 477 N CB 0.074 37.974 38.487 -0.978 0.000 1.061 477 N HN 0.411 nan 8.380 nan 0.000 0.434 478 H N 0.441 119.320 119.070 -0.318 0.000 2.490 478 H HA 0.175 4.731 4.556 0.000 0.000 0.285 478 H C 0.467 175.679 175.328 -0.194 0.000 1.127 478 H CA -0.186 55.726 56.048 -0.227 0.000 0.993 478 H CB 0.045 29.674 29.762 -0.222 0.000 1.653 478 H HN 0.199 nan 8.280 nan 0.000 0.557 479 N N 1.467 120.089 118.700 -0.129 0.000 2.348 479 N HA -0.150 4.590 4.740 0.000 0.000 0.185 479 N C 1.530 176.991 175.510 -0.081 0.000 1.019 479 N CA 1.028 54.011 53.050 -0.113 0.000 0.880 479 N CB 0.345 38.758 38.487 -0.123 0.000 0.965 479 N HN 0.465 nan 8.380 nan 0.000 0.437 480 E N -0.080 120.081 120.200 -0.065 0.000 2.046 480 E HA -0.120 4.230 4.350 0.000 0.000 0.190 480 E C 1.911 178.486 176.600 -0.041 0.000 0.982 480 E CA 1.052 57.423 56.400 -0.048 0.000 0.800 480 E CB -0.193 29.483 29.700 -0.039 0.000 0.756 480 E HN 0.477 nan 8.360 nan 0.000 0.449 481 L N 0.858 122.060 121.223 -0.035 0.000 2.141 481 L HA -0.120 4.220 4.340 0.000 0.000 0.209 481 L C 2.577 179.412 176.870 -0.059 0.000 1.094 481 L CA 0.618 55.430 54.840 -0.046 0.000 0.763 481 L CB -0.542 41.482 42.059 -0.057 0.000 0.908 481 L HN 0.088 nan 8.230 nan 0.000 0.437 482 L N -0.254 120.928 121.223 -0.069 0.000 2.012 482 L HA -0.200 4.140 4.340 0.000 0.000 0.210 482 L C 2.733 179.568 176.870 -0.058 0.000 1.073 482 L CA 1.761 56.556 54.840 -0.075 0.000 0.748 482 L CB -0.957 41.045 42.059 -0.095 0.000 0.891 482 L HN 0.291 nan 8.230 nan 0.000 0.431 483 T N -1.207 113.314 114.554 -0.056 0.000 2.720 483 T HA -0.250 4.100 4.350 0.000 0.000 0.268 483 T C 1.771 176.451 174.700 -0.033 0.000 1.037 483 T CA 1.406 63.477 62.100 -0.047 0.000 1.144 483 T CB -0.185 68.654 68.868 -0.048 0.000 0.864 483 T HN 0.349 nan 8.240 nan 0.000 0.444 484 E N 0.380 120.561 120.200 -0.031 0.000 2.150 484 E HA -0.079 4.271 4.350 0.000 0.000 0.193 484 E C 2.104 178.694 176.600 -0.016 0.000 0.985 484 E CA 0.697 57.084 56.400 -0.022 0.000 0.814 484 E CB -0.167 29.520 29.700 -0.023 0.000 0.752 484 E HN 0.512 nan 8.360 nan 0.000 0.466 485 I N 0.378 120.936 120.570 -0.021 0.000 2.252 485 I HA -0.256 3.914 4.170 0.000 0.000 0.245 485 I C 2.793 178.912 176.117 0.003 0.000 1.102 485 I CA 0.892 62.186 61.300 -0.011 0.000 1.385 485 I CB -0.235 37.754 38.000 -0.018 0.000 1.064 485 I HN 0.065 nan 8.210 nan 0.000 0.414 486 R N 1.266 121.763 120.500 -0.004 0.000 2.064 486 R HA -0.173 4.167 4.340 0.000 0.000 0.228 486 R C 2.126 178.440 176.300 0.024 0.000 1.144 486 R CA 1.765 57.870 56.100 0.009 0.000 0.932 486 R CB -0.144 30.145 30.300 -0.018 0.000 0.833 486 R HN 0.313 nan 8.270 nan 0.000 0.429 487 E N -0.377 119.829 120.200 0.009 0.000 2.274 487 E HA -0.121 4.229 4.350 0.000 0.000 0.194 487 E C 1.699 178.310 176.600 0.018 0.000 0.996 487 E CA 0.902 57.311 56.400 0.015 0.000 0.840 487 E CB 0.292 29.993 29.700 0.002 0.000 0.772 487 E HN 0.313 nan 8.360 nan 0.000 0.491 488 K N -1.139 119.269 120.400 0.014 0.000 2.365 488 K HA 0.099 4.419 4.320 0.000 0.000 0.195 488 K C 1.151 177.762 176.600 0.018 0.000 1.079 488 K CA 0.636 56.931 56.287 0.014 0.000 0.979 488 K CB 1.059 33.563 32.500 0.007 0.000 0.929 488 K HN 0.167 nan 8.250 nan 0.000 0.523 489 G N 2.894 111.706 108.800 0.021 0.000 2.225 489 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 489 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 489 G C -0.240 174.674 174.900 0.022 0.000 1.024 489 G CA 0.898 46.013 45.100 0.026 0.000 0.784 489 G HN 0.395 nan 8.290 nan 0.000 0.507 490 E N -1.591 118.619 120.200 0.017 0.000 2.431 490 E HA 0.730 5.081 4.350 0.000 0.000 0.268 490 E C -0.542 176.067 176.600 0.014 0.000 0.953 490 E CA -1.145 55.265 56.400 0.018 0.000 0.810 490 E CB 1.557 31.267 29.700 0.016 0.000 1.369 490 E HN 0.097 nan 8.360 nan 0.000 0.440 491 L N 2.040 123.273 121.223 0.017 0.000 2.481 491 L HA 0.213 4.553 4.340 0.000 0.000 0.255 491 L C -0.152 176.724 176.870 0.011 0.000 1.192 491 L CA -0.538 54.308 54.840 0.009 0.000 0.924 491 L CB 1.327 43.396 42.059 0.018 0.000 1.179 491 L HN 0.522 nan 8.230 nan 0.000 0.491 492 S N 0.238 115.940 115.700 0.004 0.000 2.584 492 S HA 0.158 4.628 4.470 0.000 0.000 0.270 492 S C 1.079 175.681 174.600 0.004 0.000 1.346 492 S CA -0.476 57.727 58.200 0.006 0.000 1.018 492 S CB 1.328 64.529 63.200 0.003 0.000 0.899 492 S HN 0.545 nan 8.310 nan 0.000 0.542 493 K N 0.793 121.200 120.400 0.010 0.000 2.286 493 K HA -0.170 4.150 4.320 0.000 0.000 0.203 493 K C 1.891 178.492 176.600 0.002 0.000 1.045 493 K CA 1.809 58.104 56.287 0.013 0.000 0.935 493 K CB -0.212 32.300 32.500 0.019 0.000 0.737 493 K HN 0.685 nan 8.250 nan 0.000 0.460 494 E N 0.683 120.880 120.200 -0.004 0.000 2.051 494 E HA -0.141 4.209 4.350 0.000 0.000 0.192 494 E C 1.814 178.397 176.600 -0.029 0.000 0.991 494 E CA 0.972 57.365 56.400 -0.011 0.000 0.799 494 E CB -0.050 29.645 29.700 -0.009 0.000 0.748 494 E HN 0.198 nan 8.360 nan 0.000 0.449 495 L N 0.117 121.318 121.223 -0.038 0.000 2.141 495 L HA -0.118 4.222 4.340 0.000 0.000 0.209 495 L C 2.253 179.056 176.870 -0.112 0.000 1.094 495 L CA 0.603 55.402 54.840 -0.069 0.000 0.763 495 L CB -0.207 41.816 42.059 -0.060 0.000 0.908 495 L HN 0.159 nan 8.230 nan 0.000 0.437 496 L N -0.615 120.562 121.223 -0.077 0.000 2.156 496 L HA -0.140 4.200 4.340 0.000 0.000 0.208 496 L C 2.708 179.540 176.870 -0.062 0.000 1.095 496 L CA 1.005 55.796 54.840 -0.081 0.000 0.770 496 L CB -0.353 41.717 42.059 0.019 0.000 0.914 496 L HN 0.228 nan 8.230 nan 0.000 0.439 497 A N -1.544 121.258 122.820 -0.030 0.000 1.970 497 A HA -0.117 4.203 4.320 0.000 0.000 0.216 497 A C 2.443 180.002 177.584 -0.042 0.000 1.170 497 A CA 1.532 53.563 52.037 -0.010 0.000 0.645 497 A CB -0.358 18.645 19.000 0.005 0.000 0.816 497 A HN 0.326 nan 8.150 nan 0.000 0.447 498 S N -0.379 115.276 115.700 -0.074 0.000 2.348 498 S HA -0.114 4.356 4.470 0.000 0.000 0.221 498 S C 1.850 176.349 174.600 -0.167 0.000 1.033 498 S CA 1.499 59.641 58.200 -0.098 0.000 1.010 498 S CB -0.367 62.779 63.200 -0.091 0.000 0.891 498 S HN 0.408 nan 8.310 nan 0.000 0.442 499 L N 1.779 122.855 121.223 -0.246 0.000 2.056 499 L HA 0.009 4.350 4.340 0.000 0.000 0.207 499 L C 2.226 178.910 176.870 -0.310 0.000 1.078 499 L CA 1.679 56.301 54.840 -0.364 0.000 0.749 499 L CB -0.462 41.211 42.059 -0.642 0.000 0.901 499 L HN 0.162 nan 8.230 nan 0.000 0.433 500 K N -1.598 118.670 120.400 -0.220 0.000 2.063 500 K HA -0.193 4.128 4.320 0.000 0.000 0.208 500 K C 2.376 178.988 176.600 0.020 0.000 1.048 500 K CA 1.653 57.972 56.287 0.053 0.000 0.928 500 K CB -0.199 32.405 32.500 0.173 0.000 0.713 500 K HN 0.263 nan 8.250 nan 0.000 0.442 501 S N -0.608 115.087 115.700 -0.008 0.000 2.414 501 S HA -0.007 4.463 4.470 0.000 0.000 0.227 501 S C 1.806 176.409 174.600 0.005 0.000 1.022 501 S CA 0.921 59.130 58.200 0.016 0.000 0.958 501 S CB -0.127 63.083 63.200 0.016 0.000 0.797 501 S HN 0.447 nan 8.310 nan 0.000 0.493 502 A N 0.754 123.514 122.820 -0.100 0.000 1.898 502 A HA -0.026 4.294 4.320 0.000 0.000 0.216 502 A C 2.301 179.980 177.584 0.159 0.000 1.181 502 A CA 2.122 54.051 52.037 -0.180 0.000 0.620 502 A CB -1.476 17.194 19.000 -0.550 0.000 0.819 502 A HN 0.560 nan 8.150 nan 0.000 0.442 503 T N 0.268 114.919 114.554 0.162 0.000 2.622 503 T HA -0.174 4.176 4.350 0.000 0.000 0.266 503 T C 1.763 176.552 174.700 0.149 0.000 1.047 503 T CA 1.737 63.971 62.100 0.223 0.000 1.159 503 T CB -0.407 68.391 68.868 -0.116 0.000 0.863 503 T HN 0.642 nan 8.240 nan 0.000 0.422 504 E N 0.886 121.123 120.200 0.062 0.000 2.118 504 E HA -0.136 4.214 4.350 0.000 0.000 0.195 504 E C 2.438 179.107 176.600 0.116 0.000 0.992 504 E CA 1.141 57.606 56.400 0.108 0.000 0.804 504 E CB -0.227 29.545 29.700 0.121 0.000 0.741 504 E HN 0.331 nan 8.360 nan 0.000 0.458 505 S N -0.343 115.452 115.700 0.157 0.000 2.400 505 S HA -0.178 4.292 4.470 0.000 0.000 0.232 505 S C 1.540 176.229 174.600 0.149 0.000 1.025 505 S CA 1.004 59.320 58.200 0.193 0.000 0.993 505 S CB -0.147 63.242 63.200 0.315 0.000 0.808 505 S HN 0.338 nan 8.310 nan 0.000 0.478 506 F N 0.939 120.842 119.950 -0.079 0.000 2.446 506 F HA 0.237 4.764 4.527 0.000 0.000 0.292 506 F C 1.941 177.678 175.800 -0.104 0.000 1.096 506 F CA 0.354 58.162 58.000 -0.320 0.000 1.438 506 F CB -0.340 38.317 39.000 -0.573 0.000 1.107 506 F HN -0.007 nan 8.300 nan 0.000 0.546 507 V N 0.879 120.796 119.914 0.006 0.000 2.252 507 V HA -0.384 3.736 4.120 0.000 0.000 0.249 507 V C 2.779 178.798 176.094 -0.125 0.000 1.056 507 V CA 2.122 64.410 62.300 -0.019 0.000 1.022 507 V CB -1.551 30.309 31.823 0.061 0.000 0.641 507 V HN 0.436 nan 8.190 nan 0.000 0.445 508 A N -0.477 122.289 122.820 -0.090 0.000 1.948 508 A HA -0.160 4.160 4.320 0.000 0.000 0.220 508 A C 1.603 179.093 177.584 -0.156 0.000 1.177 508 A CA 2.100 54.084 52.037 -0.089 0.000 0.636 508 A CB -0.796 18.182 19.000 -0.037 0.000 0.815 508 A HN 0.615 nan 8.150 nan 0.000 0.449 509 T N 0.000 114.390 114.554 -0.273 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.888 62.100 -0.354 0.000 1.349 509 T CB 0.000 68.647 68.868 -0.368 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658