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 1xyf_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1 A CA 0.000 52.037 52.037 0.000 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 2 E N -0.902 119.295 120.200 -0.006 0.000 2.794 2 E HA 0.287 4.638 4.350 0.001 0.000 0.203 2 E C 0.360 176.953 176.600 -0.011 0.000 0.953 2 E CA 0.651 57.043 56.400 -0.014 0.000 1.284 2 E CB 0.086 29.778 29.700 -0.012 0.000 1.077 2 E HN 0.242 nan 8.360 nan 0.000 0.508 3 S N 0.187 115.887 115.700 0.001 0.000 2.458 3 S HA 0.074 4.544 4.470 0.001 0.000 0.223 3 S C 0.919 175.547 174.600 0.046 0.000 1.019 3 S CA 0.877 59.090 58.200 0.022 0.000 0.937 3 S CB 0.157 63.368 63.200 0.017 0.000 0.788 3 S HN 0.579 nan 8.310 nan 0.000 0.511 4 T N -0.924 113.637 114.554 0.012 0.000 2.932 4 T HA 0.613 4.963 4.350 0.001 0.000 0.289 4 T C 1.076 175.729 174.700 -0.079 0.000 1.039 4 T CA -0.793 61.312 62.100 0.008 0.000 1.024 4 T CB 1.129 69.988 68.868 -0.015 0.000 1.090 4 T HN -0.050 nan 8.240 nan 0.000 0.496 5 L N 1.286 122.401 121.223 -0.179 0.000 2.012 5 L HA 0.063 4.403 4.340 0.001 0.000 0.210 5 L C 3.016 179.847 176.870 -0.066 0.000 1.073 5 L CA 1.857 56.497 54.840 -0.334 0.000 0.748 5 L CB -1.170 40.470 42.059 -0.699 0.000 0.891 5 L HN 0.982 nan 8.230 nan 0.000 0.431 6 G N -0.329 108.493 108.800 0.036 0.000 2.446 6 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 6 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 6 G C 1.775 176.735 174.900 0.100 0.000 1.168 6 G CA 0.926 46.122 45.100 0.159 0.000 0.771 6 G HN 0.475 nan 8.290 nan 0.000 0.551 7 A N 1.088 123.932 122.820 0.041 0.000 1.902 7 A HA 0.256 4.576 4.320 0.001 0.000 0.217 7 A C 2.810 180.407 177.584 0.023 0.000 1.181 7 A CA 2.343 54.397 52.037 0.028 0.000 0.623 7 A CB -0.772 18.233 19.000 0.009 0.000 0.818 7 A HN 0.838 nan 8.150 nan 0.000 0.443 8 A N -0.319 122.502 122.820 0.001 0.000 1.930 8 A HA 0.218 4.538 4.320 0.001 0.000 0.217 8 A C 2.458 180.055 177.584 0.022 0.000 1.175 8 A CA 1.893 53.925 52.037 -0.009 0.000 0.627 8 A CB -0.857 18.110 19.000 -0.056 0.000 0.815 8 A HN 0.996 nan 8.150 nan 0.000 0.443 9 A N -0.077 122.781 122.820 0.064 0.000 1.898 9 A HA 0.226 4.547 4.320 0.001 0.000 0.216 9 A C 2.459 180.089 177.584 0.076 0.000 1.181 9 A CA 1.759 53.856 52.037 0.099 0.000 0.620 9 A CB -0.978 18.139 19.000 0.196 0.000 0.819 9 A HN 1.069 nan 8.150 nan 0.000 0.442 10 A N -0.374 122.496 122.820 0.084 0.000 2.024 10 A HA -0.244 4.076 4.320 0.001 0.000 0.220 10 A C 2.030 179.641 177.584 0.045 0.000 1.164 10 A CA 1.672 53.752 52.037 0.071 0.000 0.643 10 A CB -0.599 18.442 19.000 0.069 0.000 0.806 10 A HN 0.698 nan 8.150 nan 0.000 0.451 11 Q N 0.028 119.848 119.800 0.033 0.000 2.135 11 Q HA -0.136 4.204 4.340 0.001 0.000 0.204 11 Q C 1.826 177.837 176.000 0.019 0.000 0.981 11 Q CA 1.716 57.531 55.803 0.021 0.000 0.856 11 Q CB -0.254 28.491 28.738 0.012 0.000 0.902 11 Q HN 0.810 nan 8.270 nan 0.000 0.425 12 S N -1.485 114.227 115.700 0.020 0.000 2.582 12 S HA 0.378 4.848 4.470 0.001 0.000 0.234 12 S C 1.099 175.710 174.600 0.017 0.000 0.961 12 S CA 0.060 58.268 58.200 0.014 0.000 0.953 12 S CB 0.789 63.993 63.200 0.007 0.000 0.800 12 S HN 0.490 nan 8.310 nan 0.000 0.471 13 G N 1.245 110.063 108.800 0.030 0.000 2.148 13 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 13 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 13 G C 0.165 175.095 174.900 0.050 0.000 0.981 13 G CA 0.212 45.336 45.100 0.041 0.000 0.670 13 G HN 0.609 nan 8.290 nan 0.000 0.528 14 R N -1.139 119.383 120.500 0.037 0.000 2.719 14 R HA 0.745 5.086 4.340 0.001 0.000 0.233 14 R C 0.016 176.369 176.300 0.088 0.000 1.257 14 R CA -0.524 55.574 56.100 -0.003 0.000 1.109 14 R CB 0.684 30.935 30.300 -0.080 0.000 1.447 14 R HN 0.513 nan 8.270 nan 0.000 0.537 15 Y N -1.707 118.643 120.300 0.083 0.000 2.576 15 Y HA 0.638 5.188 4.550 0.001 0.000 0.346 15 Y C -1.394 174.597 175.900 0.151 0.000 1.018 15 Y CA -1.714 56.454 58.100 0.113 0.000 1.050 15 Y CB 1.138 39.643 38.460 0.075 0.000 1.280 15 Y HN 0.398 nan 8.280 nan 0.000 0.474 16 F N 2.082 122.258 119.950 0.377 0.000 2.496 16 F HA 0.799 5.326 4.527 0.001 0.000 0.341 16 F C 0.067 176.192 175.800 0.543 0.000 1.134 16 F CA -0.727 57.497 58.000 0.373 0.000 0.968 16 F CB 1.309 40.461 39.000 0.252 0.000 1.205 16 F HN 0.943 nan 8.300 nan 0.000 0.436 17 G N 2.118 111.137 108.800 0.365 0.000 2.932 17 G HA2 0.626 4.587 3.960 0.001 0.000 0.283 17 G HA3 0.626 4.587 3.960 0.001 0.000 0.283 17 G C -1.282 173.524 174.900 -0.157 0.000 1.336 17 G CA -0.662 44.576 45.100 0.231 0.000 1.056 17 G HN 0.598 nan 8.290 nan 0.000 0.522 18 T N -1.979 112.312 114.554 -0.439 0.000 2.816 18 T HA 0.636 4.986 4.350 0.001 0.000 0.299 18 T C -0.833 173.622 174.700 -0.408 0.000 1.230 18 T CA 0.180 61.901 62.100 -0.631 0.000 1.007 18 T CB 1.370 69.421 68.868 -1.362 0.000 1.289 18 T HN 1.193 nan 8.240 nan 0.000 0.508 19 A N 2.547 125.074 122.820 -0.488 0.000 2.309 19 A HA 0.739 5.060 4.320 0.001 0.000 0.298 19 A C -0.626 176.685 177.584 -0.455 0.000 1.165 19 A CA -0.542 51.103 52.037 -0.654 0.000 0.821 19 A CB 0.188 18.317 19.000 -1.451 0.000 1.102 19 A HN 0.642 nan 8.150 nan 0.000 0.500 20 I N 1.516 121.887 120.570 -0.331 0.000 2.433 20 I HA 0.507 4.677 4.170 0.001 0.000 0.292 20 I C 0.385 176.403 176.117 -0.166 0.000 1.001 20 I CA -0.354 60.827 61.300 -0.199 0.000 1.119 20 I CB 1.406 39.273 38.000 -0.221 0.000 1.289 20 I HN 0.721 nan 8.210 nan 0.000 0.438 21 A N 4.037 126.788 122.820 -0.116 0.000 2.271 21 A HA 0.469 4.790 4.320 0.001 0.000 0.317 21 A C 0.990 178.466 177.584 -0.180 0.000 1.245 21 A CA -0.243 51.699 52.037 -0.159 0.000 0.857 21 A CB 0.696 19.577 19.000 -0.198 0.000 1.175 21 A HN 0.825 nan 8.150 nan 0.000 0.512 22 S N 2.405 118.034 115.700 -0.119 0.000 2.419 22 S HA -0.099 4.372 4.470 0.001 0.000 0.233 22 S C 1.729 176.249 174.600 -0.133 0.000 1.016 22 S CA 1.427 59.563 58.200 -0.106 0.000 0.974 22 S CB -0.486 62.700 63.200 -0.023 0.000 0.786 22 S HN 1.162 nan 8.310 nan 0.000 0.492 23 G N 1.430 110.142 108.800 -0.145 0.000 2.470 23 G HA2 -0.076 3.885 3.960 0.001 0.000 0.220 23 G HA3 -0.076 3.885 3.960 0.001 0.000 0.220 23 G C 1.402 176.163 174.900 -0.231 0.000 1.121 23 G CA 0.430 45.440 45.100 -0.150 0.000 0.766 23 G HN 0.609 nan 8.290 nan 0.000 0.553 24 K N -0.307 119.860 120.400 -0.388 0.000 2.358 24 K HA 0.368 4.688 4.320 0.001 0.000 0.197 24 K C 1.779 178.126 176.600 -0.422 0.000 1.025 24 K CA -0.341 55.589 56.287 -0.596 0.000 1.104 24 K CB 0.265 31.957 32.500 -1.346 0.000 0.855 24 K HN 0.203 nan 8.250 nan 0.000 0.531 25 L N 0.036 121.102 121.223 -0.261 0.000 2.456 25 L HA -0.083 4.257 4.340 0.001 0.000 0.224 25 L C 2.018 178.850 176.870 -0.063 0.000 1.148 25 L CA 0.986 55.719 54.840 -0.178 0.000 0.825 25 L CB -0.268 41.660 42.059 -0.219 0.000 0.937 25 L HN 0.339 nan 8.230 nan 0.000 0.450 26 G N -1.512 107.246 108.800 -0.071 0.000 2.539 26 G HA2 -0.155 3.805 3.960 0.001 0.000 0.215 26 G HA3 -0.155 3.805 3.960 0.001 0.000 0.215 26 G C 0.432 175.325 174.900 -0.012 0.000 1.141 26 G CA -0.191 44.894 45.100 -0.025 0.000 0.806 26 G HN 0.216 nan 8.290 nan 0.000 0.533 27 D N 1.065 121.442 120.400 -0.039 0.000 2.346 27 D HA 0.125 4.765 4.640 0.001 0.000 0.260 27 D C 1.941 178.279 176.300 0.063 0.000 1.252 27 D CA 0.370 54.365 54.000 -0.008 0.000 0.895 27 D CB 1.186 41.948 40.800 -0.064 0.000 1.097 27 D HN 0.145 nan 8.370 nan 0.000 0.489 28 S N 3.354 119.085 115.700 0.051 0.000 2.402 28 S HA -0.151 4.319 4.470 0.001 0.000 0.229 28 S C 1.966 176.601 174.600 0.059 0.000 1.021 28 S CA 0.816 59.054 58.200 0.062 0.000 0.974 28 S CB -0.178 63.047 63.200 0.042 0.000 0.800 28 S HN 0.456 nan 8.310 nan 0.000 0.484 29 A N 0.587 123.437 122.820 0.051 0.000 1.930 29 A HA 0.012 4.333 4.320 0.001 0.000 0.217 29 A C 2.034 179.642 177.584 0.039 0.000 1.175 29 A CA 1.404 53.459 52.037 0.030 0.000 0.627 29 A CB -1.183 17.833 19.000 0.027 0.000 0.815 29 A HN 0.699 nan 8.150 nan 0.000 0.443 30 Y N 1.636 121.898 120.300 -0.063 0.000 2.133 30 Y HA -0.219 4.331 4.550 0.001 0.000 0.287 30 Y C 2.938 178.796 175.900 -0.070 0.000 1.134 30 Y CA 2.719 60.768 58.100 -0.085 0.000 1.133 30 Y CB -0.617 37.781 38.460 -0.103 0.000 0.987 30 Y HN 0.424 nan 8.280 nan 0.000 0.502 31 T N -3.503 111.114 114.554 0.106 0.000 2.867 31 T HA -0.146 4.204 4.350 0.001 0.000 0.268 31 T C 1.797 176.562 174.700 0.109 0.000 1.057 31 T CA 1.683 63.842 62.100 0.098 0.000 1.136 31 T CB -1.015 67.990 68.868 0.228 0.000 0.874 31 T HN 0.345 nan 8.240 nan 0.000 0.466 32 T N 2.089 116.666 114.554 0.040 0.000 2.708 32 T HA 0.077 4.427 4.350 0.001 0.000 0.266 32 T C 1.862 176.523 174.700 -0.065 0.000 1.037 32 T CA 1.492 63.593 62.100 0.002 0.000 1.146 32 T CB -0.417 68.439 68.868 -0.020 0.000 0.865 32 T HN 0.431 nan 8.240 nan 0.000 0.435 33 I N 1.136 121.608 120.570 -0.164 0.000 2.163 33 I HA -0.109 4.061 4.170 0.001 0.000 0.240 33 I C 2.929 178.927 176.117 -0.198 0.000 1.081 33 I CA 1.047 62.157 61.300 -0.315 0.000 1.353 33 I CB -0.508 37.139 38.000 -0.589 0.000 1.054 33 I HN 0.163 nan 8.210 nan 0.000 0.407 34 A N -0.268 122.493 122.820 -0.097 0.000 1.908 34 A HA -0.251 4.069 4.320 0.001 0.000 0.218 34 A C 2.495 180.307 177.584 0.380 0.000 1.181 34 A CA 2.374 54.529 52.037 0.196 0.000 0.627 34 A CB -0.824 18.090 19.000 -0.143 0.000 0.818 34 A HN 0.383 nan 8.150 nan 0.000 0.445 35 S N -1.289 114.596 115.700 0.308 0.000 2.383 35 S HA -0.127 4.343 4.470 0.001 0.000 0.227 35 S C 2.193 176.815 174.600 0.038 0.000 1.026 35 S CA 1.352 59.660 58.200 0.181 0.000 0.981 35 S CB -0.298 62.977 63.200 0.125 0.000 0.818 35 S HN 0.645 nan 8.310 nan 0.000 0.472 36 R N 0.291 120.786 120.500 -0.007 0.000 2.075 36 R HA 0.053 4.393 4.340 0.001 0.000 0.226 36 R C 1.760 177.999 176.300 -0.102 0.000 1.114 36 R CA 1.257 57.322 56.100 -0.058 0.000 0.972 36 R CB -0.068 30.186 30.300 -0.077 0.000 0.869 36 R HN 0.302 nan 8.270 nan 0.000 0.437 37 E N -0.388 119.671 120.200 -0.236 0.000 2.250 37 E HA 0.017 4.368 4.350 0.001 0.000 0.192 37 E C -0.194 176.102 176.600 -0.507 0.000 0.986 37 E CA 0.511 56.633 56.400 -0.462 0.000 0.849 37 E CB 0.262 29.491 29.700 -0.785 0.000 0.797 37 E HN 0.137 nan 8.360 nan 0.000 0.482 38 F N 1.494 121.536 119.950 0.153 0.000 2.538 38 F HA 0.261 4.788 4.527 0.001 0.000 0.325 38 F C 1.012 176.891 175.800 0.131 0.000 1.066 38 F CA -1.142 56.976 58.000 0.196 0.000 0.946 38 F CB 0.853 39.977 39.000 0.206 0.000 1.199 38 F HN -0.180 nan 8.300 nan 0.000 0.473 39 N N 0.701 119.609 118.700 0.347 0.000 2.241 39 N HA 0.332 5.072 4.740 0.001 0.000 0.238 39 N C -0.796 174.775 175.510 0.101 0.000 1.244 39 N CA -0.088 53.071 53.050 0.180 0.000 0.880 39 N CB 0.783 39.358 38.487 0.147 0.000 1.179 39 N HN 0.588 nan 8.380 nan 0.000 0.513 40 M N 0.479 120.143 119.600 0.107 0.000 2.371 40 M HA 0.553 5.034 4.480 0.001 0.000 0.287 40 M C -2.235 174.040 176.300 -0.040 0.000 1.149 40 M CA -0.734 54.510 55.300 -0.094 0.000 0.929 40 M CB 2.377 34.755 32.600 -0.369 0.000 1.683 40 M HN -0.151 nan 8.290 nan 0.000 0.470 41 V N 3.023 122.888 119.914 -0.082 0.000 2.656 41 V HA 0.800 4.920 4.120 0.001 0.000 0.307 41 V C -0.664 175.366 176.094 -0.108 0.000 1.051 41 V CA -0.523 61.742 62.300 -0.060 0.000 0.893 41 V CB 2.505 34.358 31.823 0.051 0.000 0.999 41 V HN 0.896 nan 8.190 nan 0.000 0.426 42 T N 3.326 117.803 114.554 -0.127 0.000 2.841 42 T HA 0.665 5.016 4.350 0.001 0.000 0.283 42 T C -0.036 174.584 174.700 -0.134 0.000 1.000 42 T CA -0.298 61.738 62.100 -0.108 0.000 0.977 42 T CB 1.696 70.547 68.868 -0.028 0.000 0.979 42 T HN 0.942 nan 8.240 nan 0.000 0.446 43 A N 2.082 124.867 122.820 -0.059 0.000 2.409 43 A HA 0.305 4.626 4.320 0.001 0.000 0.267 43 A C 1.343 178.909 177.584 -0.030 0.000 1.127 43 A CA -0.370 51.647 52.037 -0.034 0.000 0.795 43 A CB 0.057 19.085 19.000 0.046 0.000 1.061 43 A HN 1.048 nan 8.150 nan 0.000 0.502 44 E N 1.917 122.028 120.200 -0.147 0.000 2.058 44 E HA -0.182 4.168 4.350 0.001 0.000 0.194 44 E C 0.710 177.375 176.600 0.108 0.000 0.997 44 E CA 1.748 58.045 56.400 -0.173 0.000 0.801 44 E CB 0.090 29.611 29.700 -0.298 0.000 0.746 44 E HN 0.832 nan 8.360 nan 0.000 0.450 45 N N -1.099 117.665 118.700 0.107 0.000 2.166 45 N HA -0.011 4.730 4.740 0.001 0.000 0.222 45 N C 0.973 176.585 175.510 0.171 0.000 1.282 45 N CA 0.134 53.286 53.050 0.171 0.000 0.890 45 N CB 0.432 38.993 38.487 0.123 0.000 1.114 45 N HN -0.011 nan 8.380 nan 0.000 0.494 46 E N 0.989 121.276 120.200 0.145 0.000 2.267 46 E HA 0.032 4.383 4.350 0.001 0.000 0.197 46 E C 1.146 177.891 176.600 0.242 0.000 0.998 46 E CA 1.044 57.546 56.400 0.170 0.000 0.830 46 E CB -0.033 29.756 29.700 0.149 0.000 0.751 46 E HN 0.331 nan 8.360 nan 0.000 0.491 47 M N -0.136 119.619 119.600 0.259 0.000 2.475 47 M HA 0.153 4.633 4.480 0.001 0.000 0.283 47 M C -0.025 176.487 176.300 0.354 0.000 1.165 47 M CA -0.127 55.380 55.300 0.345 0.000 0.976 47 M CB 0.568 33.346 32.600 0.296 0.000 1.428 47 M HN -0.166 nan 8.290 nan 0.000 0.495 48 K N 0.531 121.099 120.400 0.280 0.000 2.149 48 K HA 0.251 4.571 4.320 0.001 0.000 0.245 48 K C 1.091 177.840 176.600 0.248 0.000 1.024 48 K CA -0.187 56.251 56.287 0.250 0.000 0.899 48 K CB 1.143 33.789 32.500 0.245 0.000 1.038 48 K HN 0.090 nan 8.250 nan 0.000 0.496 49 I N 1.161 121.815 120.570 0.141 0.000 2.142 49 I HA -0.311 3.860 4.170 0.001 0.000 0.240 49 I C 1.947 178.064 176.117 0.001 0.000 1.078 49 I CA 1.396 62.667 61.300 -0.048 0.000 1.343 49 I CB -0.492 37.309 38.000 -0.332 0.000 1.046 49 I HN 0.746 nan 8.210 nan 0.000 0.405 50 D N 1.895 122.274 120.400 -0.035 0.000 2.182 50 D HA -0.195 4.445 4.640 0.001 0.000 0.201 50 D C 1.973 178.299 176.300 0.043 0.000 0.986 50 D CA 1.651 55.632 54.000 -0.033 0.000 0.847 50 D CB -0.358 40.404 40.800 -0.064 0.000 0.942 50 D HN 0.373 nan 8.370 nan 0.000 0.467 51 A N 0.463 123.337 122.820 0.089 0.000 1.930 51 A HA -0.032 4.288 4.320 0.001 0.000 0.215 51 A C 2.352 179.993 177.584 0.094 0.000 1.176 51 A CA 2.062 54.159 52.037 0.100 0.000 0.632 51 A CB -0.807 18.274 19.000 0.134 0.000 0.819 51 A HN 0.448 nan 8.150 nan 0.000 0.445 52 T N -3.172 111.479 114.554 0.161 0.000 3.054 52 T HA 0.138 4.489 4.350 0.001 0.000 0.259 52 T C 0.666 175.367 174.700 0.002 0.000 1.092 52 T CA 0.972 63.128 62.100 0.093 0.000 1.121 52 T CB 0.068 69.142 68.868 0.344 0.000 0.912 52 T HN 0.443 nan 8.240 nan 0.000 0.489 53 E N 1.370 121.625 120.200 0.091 0.000 3.352 53 E HA 0.274 4.624 4.350 0.001 0.000 0.254 53 E C -2.399 174.294 176.600 0.154 0.000 1.229 53 E CA -1.985 54.373 56.400 -0.071 0.000 0.949 53 E CB 1.353 31.049 29.700 -0.006 0.000 1.373 53 E HN 0.109 nan 8.360 nan 0.000 0.392 54 P HA -0.138 nan 4.420 nan 0.000 0.216 54 P C -0.163 177.275 177.300 0.231 0.000 1.150 54 P CA 1.071 64.246 63.100 0.125 0.000 0.837 54 P CB 0.284 31.997 31.700 0.023 0.000 0.786 55 Q N -1.061 118.728 119.800 -0.019 0.000 2.356 55 Q HA 0.252 4.593 4.340 0.001 0.000 0.270 55 Q C -0.328 175.196 176.000 -0.793 0.000 1.058 55 Q CA -0.900 54.706 55.803 -0.329 0.000 0.802 55 Q CB 1.864 30.460 28.738 -0.237 0.000 1.303 55 Q HN 0.004 nan 8.270 nan 0.000 0.444 56 R N 0.244 119.764 120.500 -1.633 0.000 2.486 56 R HA 0.100 4.440 4.340 0.001 0.000 0.303 56 R C 0.875 176.700 176.300 -0.792 0.000 0.958 56 R CA 1.821 56.928 56.100 -1.655 0.000 1.077 56 R CB -0.279 29.029 30.300 -1.654 0.000 0.921 56 R HN 0.932 nan 8.270 nan 0.000 0.406 57 G N 3.131 111.536 108.800 -0.659 0.000 2.253 57 G HA2 -0.324 3.636 3.960 0.001 0.000 0.251 57 G HA3 -0.324 3.636 3.960 0.001 0.000 0.251 57 G C -0.173 174.532 174.900 -0.325 0.000 0.998 57 G CA 0.332 45.212 45.100 -0.365 0.000 0.621 57 G HN 0.636 nan 8.290 nan 0.000 0.524 58 Q N 0.381 119.920 119.800 -0.435 0.000 2.465 58 Q HA 0.598 4.939 4.340 0.001 0.000 0.237 58 Q C -0.718 175.060 176.000 -0.370 0.000 1.051 58 Q CA -0.501 55.135 55.803 -0.277 0.000 0.874 58 Q CB 0.509 29.116 28.738 -0.218 0.000 1.207 58 Q HN 0.331 nan 8.270 nan 0.000 0.508 59 F N 1.825 121.668 119.950 -0.178 0.000 2.396 59 F HA 0.235 4.763 4.527 0.001 0.000 0.343 59 F C 0.764 176.259 175.800 -0.509 0.000 1.104 59 F CA -0.447 57.323 58.000 -0.383 0.000 1.161 59 F CB 0.795 39.542 39.000 -0.421 0.000 1.146 59 F HN 0.405 nan 8.300 nan 0.000 0.522 60 N N 3.233 121.642 118.700 -0.484 0.000 2.399 60 N HA 0.279 5.019 4.740 0.001 0.000 0.284 60 N C -0.985 174.236 175.510 -0.482 0.000 1.025 60 N CA -0.453 52.389 53.050 -0.346 0.000 0.885 60 N CB 0.681 39.084 38.487 -0.141 0.000 1.339 60 N HN 0.373 nan 8.380 nan 0.000 0.487 61 F N 1.152 121.109 119.950 0.011 0.000 2.735 61 F HA 0.317 4.845 4.527 0.001 0.000 0.304 61 F C 1.880 177.751 175.800 0.118 0.000 1.119 61 F CA -0.313 57.706 58.000 0.032 0.000 1.280 61 F CB 0.318 39.143 39.000 -0.291 0.000 0.994 61 F HN 0.358 nan 8.300 nan 0.000 0.520 62 S N 0.843 116.667 115.700 0.207 0.000 2.351 62 S HA -0.222 4.249 4.470 0.001 0.000 0.220 62 S C 2.463 177.182 174.600 0.200 0.000 1.035 62 S CA 1.676 59.984 58.200 0.181 0.000 1.031 62 S CB -0.429 62.838 63.200 0.112 0.000 0.928 62 S HN 0.425 nan 8.310 nan 0.000 0.433 63 A N 1.294 124.220 122.820 0.177 0.000 1.898 63 A HA 0.106 4.426 4.320 0.001 0.000 0.216 63 A C 2.326 180.046 177.584 0.227 0.000 1.181 63 A CA 1.743 53.879 52.037 0.165 0.000 0.620 63 A CB -1.423 17.652 19.000 0.125 0.000 0.819 63 A HN 0.527 nan 8.150 nan 0.000 0.442 64 G N -0.196 108.797 108.800 0.322 0.000 2.421 64 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 64 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 64 G C 1.115 176.295 174.900 0.467 0.000 1.171 64 G CA 1.253 46.599 45.100 0.411 0.000 0.775 64 G HN 0.442 nan 8.290 nan 0.000 0.543 65 D N -0.276 120.427 120.400 0.505 0.000 2.178 65 D HA -0.026 4.614 4.640 0.001 0.000 0.202 65 D C 2.397 178.921 176.300 0.373 0.000 0.974 65 D CA 0.378 54.668 54.000 0.482 0.000 0.841 65 D CB -0.157 40.882 40.800 0.399 0.000 0.953 65 D HN 0.257 nan 8.370 nan 0.000 0.478 66 R N 0.280 120.950 120.500 0.283 0.000 2.073 66 R HA -0.090 4.250 4.340 0.001 0.000 0.234 66 R C 2.069 178.512 176.300 0.237 0.000 1.134 66 R CA 0.885 57.118 56.100 0.222 0.000 0.952 66 R CB -0.158 30.236 30.300 0.157 0.000 0.850 66 R HN 0.036 nan 8.270 nan 0.000 0.433 67 V N 0.101 120.147 119.914 0.220 0.000 2.358 67 V HA -0.256 3.865 4.120 0.001 0.000 0.246 67 V C 1.940 178.183 176.094 0.248 0.000 1.047 67 V CA 1.790 64.207 62.300 0.195 0.000 1.035 67 V CB -0.704 31.191 31.823 0.121 0.000 0.658 67 V HN 0.394 nan 8.190 nan 0.000 0.452 68 Y N 2.004 122.405 120.300 0.168 0.000 2.145 68 Y HA -0.241 4.309 4.550 0.001 0.000 0.286 68 Y C 2.530 178.515 175.900 0.142 0.000 1.145 68 Y CA 2.080 60.259 58.100 0.132 0.000 1.148 68 Y CB -0.379 38.186 38.460 0.175 0.000 0.981 68 Y HN 0.284 nan 8.280 nan 0.000 0.507 69 N N -0.454 118.302 118.700 0.093 0.000 2.120 69 N HA -0.232 4.508 4.740 0.001 0.000 0.188 69 N C 1.596 177.085 175.510 -0.035 0.000 1.024 69 N CA 1.575 54.622 53.050 -0.005 0.000 0.852 69 N CB -1.161 37.414 38.487 0.147 0.000 1.003 69 N HN 0.643 nan 8.380 nan 0.000 0.424 70 W N 2.125 123.388 121.300 -0.063 0.000 2.335 70 W HA -0.114 4.547 4.660 0.001 0.000 0.311 70 W C 2.395 178.854 176.519 -0.101 0.000 1.213 70 W CA 2.393 59.707 57.345 -0.051 0.000 1.274 70 W CB -0.435 29.020 29.460 -0.008 0.000 1.148 70 W HN 0.086 nan 8.180 nan 0.000 0.498 71 A N 0.002 122.864 122.820 0.070 0.000 1.851 71 A HA -0.249 4.072 4.320 0.001 0.000 0.216 71 A C 2.029 179.411 177.584 -0.337 0.000 1.195 71 A CA 2.906 54.876 52.037 -0.112 0.000 0.622 71 A CB -1.406 17.577 19.000 -0.028 0.000 0.831 71 A HN 0.201 nan 8.150 nan 0.000 0.444 72 V N 0.146 119.812 119.914 -0.414 0.000 2.332 72 V HA -0.278 3.842 4.120 0.001 0.000 0.248 72 V C 2.672 178.595 176.094 -0.284 0.000 1.055 72 V CA 2.080 64.162 62.300 -0.363 0.000 1.038 72 V CB -0.851 30.697 31.823 -0.458 0.000 0.651 72 V HN 0.552 nan 8.190 nan 0.000 0.450 73 Q N -0.033 119.584 119.800 -0.304 0.000 2.226 73 Q HA -0.085 4.255 4.340 0.001 0.000 0.204 73 Q C 1.559 177.360 176.000 -0.332 0.000 0.975 73 Q CA 0.945 56.587 55.803 -0.268 0.000 0.866 73 Q CB -0.381 28.212 28.738 -0.242 0.000 0.915 73 Q HN 0.662 nan 8.270 nan 0.000 0.440 74 N N -0.491 117.917 118.700 -0.488 0.000 2.251 74 N HA 0.098 4.839 4.740 0.001 0.000 0.217 74 N C 0.231 175.552 175.510 -0.316 0.000 1.124 74 N CA 0.618 53.368 53.050 -0.500 0.000 0.843 74 N CB 1.107 39.040 38.487 -0.923 0.000 1.024 74 N HN 0.273 nan 8.380 nan 0.000 0.501 75 G N 1.386 110.045 108.800 -0.236 0.000 2.198 75 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 75 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 75 G C -0.243 174.589 174.900 -0.113 0.000 1.042 75 G CA 0.290 45.303 45.100 -0.146 0.000 0.791 75 G HN 0.261 nan 8.290 nan 0.000 0.502 76 K N -0.146 120.169 120.400 -0.142 0.000 2.316 76 K HA 0.621 4.941 4.320 0.001 0.000 0.251 76 K C 0.544 177.080 176.600 -0.107 0.000 0.934 76 K CA -0.659 55.577 56.287 -0.085 0.000 0.802 76 K CB 1.704 34.178 32.500 -0.043 0.000 1.171 76 K HN 0.348 nan 8.250 nan 0.000 0.426 77 Q N 0.420 120.161 119.800 -0.099 0.000 2.316 77 Q HA 0.533 4.874 4.340 0.001 0.000 0.215 77 Q C -0.615 175.301 176.000 -0.140 0.000 1.020 77 Q CA -0.890 54.844 55.803 -0.116 0.000 0.970 77 Q CB 1.221 29.880 28.738 -0.132 0.000 1.187 77 Q HN 0.238 nan 8.270 nan 0.000 0.546 78 V N 0.557 120.389 119.914 -0.137 0.000 2.876 78 V HA 0.463 4.583 4.120 0.001 0.000 0.312 78 V C -0.773 175.166 176.094 -0.259 0.000 1.085 78 V CA -0.871 61.334 62.300 -0.158 0.000 0.945 78 V CB 2.062 33.852 31.823 -0.056 0.000 1.017 78 V HN 0.637 nan 8.190 nan 0.000 0.428 79 R N 1.800 122.131 120.500 -0.282 0.000 2.343 79 R HA 0.593 4.933 4.340 0.001 0.000 0.320 79 R C 0.175 176.208 176.300 -0.446 0.000 0.956 79 R CA -0.510 55.396 56.100 -0.322 0.000 0.836 79 R CB 1.982 32.167 30.300 -0.193 0.000 1.151 79 R HN 0.931 nan 8.270 nan 0.000 0.450 80 G N 1.343 109.624 108.800 -0.865 0.000 2.380 80 G HA2 0.162 4.122 3.960 0.001 0.000 0.262 80 G HA3 0.162 4.122 3.960 0.001 0.000 0.262 80 G C -0.885 173.842 174.900 -0.290 0.000 1.243 80 G CA 0.031 44.340 45.100 -1.319 0.000 0.865 80 G HN 0.656 nan 8.290 nan 0.000 0.513 81 H N 0.026 119.051 119.070 -0.076 0.000 3.177 81 H HA 0.569 5.126 4.556 0.001 0.000 0.314 81 H C -0.693 174.763 175.328 0.214 0.000 1.059 81 H CA -0.155 55.950 56.048 0.094 0.000 1.515 81 H CB 1.633 31.413 29.762 0.031 0.000 1.672 81 H HN 0.686 nan 8.280 nan 0.000 0.514 82 T N 4.294 118.870 114.554 0.037 0.000 2.886 82 T HA 0.212 4.562 4.350 0.001 0.000 0.330 82 T C 0.314 175.099 174.700 0.141 0.000 1.488 82 T CA -0.617 61.458 62.100 -0.042 0.000 1.054 82 T CB 0.948 69.426 68.868 -0.651 0.000 1.348 82 T HN 0.483 nan 8.240 nan 0.000 0.489 83 L N 1.916 123.212 121.223 0.122 0.000 2.127 83 L HA 0.540 4.880 4.340 0.001 0.000 0.203 83 L C 1.294 178.268 176.870 0.172 0.000 1.080 83 L CA 0.584 55.504 54.840 0.133 0.000 0.768 83 L CB -0.202 41.825 42.059 -0.053 0.000 0.924 83 L HN 0.697 nan 8.230 nan 0.000 0.444 84 A N -1.311 121.606 122.820 0.161 0.000 2.359 84 A HA 0.559 4.879 4.320 0.001 0.000 0.303 84 A C -2.025 175.776 177.584 0.362 0.000 1.066 84 A CA -0.195 51.991 52.037 0.249 0.000 0.730 84 A CB 1.144 20.379 19.000 0.390 0.000 1.211 84 A HN 0.180 nan 8.150 nan 0.000 0.439 85 W N 3.735 125.058 121.300 0.039 0.000 3.479 85 W HA 0.350 5.010 4.660 0.001 0.000 0.304 85 W C 0.638 177.118 176.519 -0.067 0.000 1.243 85 W CA -0.918 56.443 57.345 0.028 0.000 1.202 85 W CB 0.897 30.308 29.460 -0.083 0.000 1.346 85 W HN 0.868 nan 8.180 nan 0.000 0.539 86 H N 1.111 120.227 119.070 0.077 0.000 2.495 86 H HA 0.097 4.654 4.556 0.001 0.000 0.287 86 H C 0.216 175.285 175.328 -0.431 0.000 1.033 86 H CA 1.090 57.032 56.048 -0.178 0.000 1.307 86 H CB 0.022 29.742 29.762 -0.070 0.000 1.401 86 H HN 0.090 nan 8.280 nan 0.000 0.555 87 S N 0.106 114.826 115.700 -1.635 0.000 2.608 87 S HA 0.175 4.645 4.470 0.001 0.000 0.291 87 S C 0.038 173.902 174.600 -1.227 0.000 1.146 87 S CA -0.446 56.797 58.200 -1.596 0.000 1.043 87 S CB 0.865 62.807 63.200 -2.096 0.000 1.037 87 S HN 0.545 nan 8.310 nan 0.000 0.520 88 Q N 0.653 119.998 119.800 -0.759 0.000 2.475 88 Q HA -0.202 4.138 4.340 0.001 0.000 0.280 88 Q C -0.590 175.207 176.000 -0.338 0.000 1.234 88 Q CA 0.681 56.215 55.803 -0.448 0.000 0.873 88 Q CB -1.319 27.207 28.738 -0.353 0.000 1.256 88 Q HN 0.706 nan 8.270 nan 0.000 0.475 89 Q N 1.227 120.800 119.800 -0.378 0.000 2.293 89 Q HA 0.290 4.631 4.340 0.001 0.000 0.251 89 Q C -1.945 173.815 176.000 -0.399 0.000 0.930 89 Q CA -1.647 53.919 55.803 -0.393 0.000 0.893 89 Q CB 0.639 29.129 28.738 -0.414 0.000 1.215 89 Q HN 0.115 nan 8.270 nan 0.000 0.425 90 P HA -0.068 nan 4.420 nan 0.000 0.269 90 P C 0.424 177.437 177.300 -0.478 0.000 1.215 90 P CA 0.124 62.957 63.100 -0.445 0.000 0.780 90 P CB 0.638 32.042 31.700 -0.494 0.000 0.898 91 G N 2.271 110.929 108.800 -0.236 0.000 2.505 91 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 91 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 91 G C 1.405 176.242 174.900 -0.105 0.000 1.145 91 G CA 0.543 45.556 45.100 -0.145 0.000 0.761 91 G HN 0.771 nan 8.290 nan 0.000 0.571 92 W N -0.030 121.222 121.300 -0.079 0.000 2.350 92 W HA -0.024 4.636 4.660 0.001 0.000 0.289 92 W C 2.096 178.567 176.519 -0.079 0.000 1.215 92 W CA 1.076 58.376 57.345 -0.076 0.000 1.236 92 W CB -0.753 28.658 29.460 -0.081 0.000 1.130 92 W HN 0.292 nan 8.180 nan 0.000 0.541 93 M N 1.507 120.655 119.600 -0.753 0.000 2.349 93 M HA -0.127 4.353 4.480 0.001 0.000 0.266 93 M C 2.295 178.385 176.300 -0.350 0.000 1.076 93 M CA 1.567 56.416 55.300 -0.752 0.000 1.126 93 M CB -0.188 31.660 32.600 -1.253 0.000 1.392 93 M HN 0.008 nan 8.290 nan 0.000 0.440 94 Q N -0.632 118.988 119.800 -0.299 0.000 2.297 94 Q HA -0.022 4.318 4.340 0.001 0.000 0.204 94 Q C 0.758 176.691 176.000 -0.111 0.000 0.962 94 Q CA 1.041 56.727 55.803 -0.195 0.000 0.879 94 Q CB 0.078 28.708 28.738 -0.179 0.000 0.947 94 Q HN 0.374 nan 8.270 nan 0.000 0.462 95 S N 0.798 116.460 115.700 -0.064 0.000 2.699 95 S HA 0.276 4.746 4.470 0.001 0.000 0.251 95 S C -0.197 174.408 174.600 0.008 0.000 1.179 95 S CA 0.096 58.287 58.200 -0.014 0.000 1.200 95 S CB -0.122 63.092 63.200 0.023 0.000 0.848 95 S HN 0.161 nan 8.310 nan 0.000 0.472 96 L N 0.640 121.851 121.223 -0.020 0.000 2.409 96 L HA 0.718 5.059 4.340 0.001 0.000 0.255 96 L C -0.370 176.478 176.870 -0.036 0.000 1.027 96 L CA -0.602 54.237 54.840 -0.002 0.000 0.834 96 L CB 2.332 44.414 42.059 0.038 0.000 1.426 96 L HN 0.312 nan 8.230 nan 0.000 0.411 97 S N -0.814 114.872 115.700 -0.024 0.000 2.643 97 S HA 0.794 5.264 4.470 0.001 0.000 0.266 97 S C -0.239 174.349 174.600 -0.022 0.000 1.130 97 S CA -0.208 57.968 58.200 -0.040 0.000 0.817 97 S CB 1.138 64.312 63.200 -0.043 0.000 1.107 97 S HN 1.584 nan 8.310 nan 0.000 0.471 98 G N 1.854 110.638 108.800 -0.027 0.000 2.591 98 G HA2 -0.241 3.719 3.960 0.001 0.000 0.278 98 G HA3 -0.241 3.719 3.960 0.001 0.000 0.278 98 G C 1.103 176.006 174.900 0.005 0.000 1.293 98 G CA 1.408 46.503 45.100 -0.009 0.000 0.930 98 G HN 2.324 nan 8.290 nan 0.000 0.562 99 S N -1.644 114.066 115.700 0.016 0.000 2.400 99 S HA -0.232 4.239 4.470 0.001 0.000 0.234 99 S C 2.202 176.822 174.600 0.032 0.000 1.049 99 S CA 3.055 61.271 58.200 0.026 0.000 1.039 99 S CB -1.062 62.153 63.200 0.024 0.000 0.856 99 S HN 1.357 nan 8.310 nan 0.000 0.465 100 T N 2.447 117.018 114.554 0.028 0.000 2.777 100 T HA 0.052 4.402 4.350 0.001 0.000 0.266 100 T C 1.686 176.420 174.700 0.056 0.000 1.040 100 T CA 1.251 63.376 62.100 0.041 0.000 1.141 100 T CB -0.539 68.351 68.868 0.037 0.000 0.868 100 T HN 0.315 nan 8.240 nan 0.000 0.444 101 L N 1.486 122.728 121.223 0.032 0.000 2.027 101 L HA 0.105 4.445 4.340 0.001 0.000 0.206 101 L C 2.497 179.386 176.870 0.032 0.000 1.074 101 L CA 1.701 56.552 54.840 0.018 0.000 0.745 101 L CB -0.701 41.333 42.059 -0.043 0.000 0.898 101 L HN -0.015 nan 8.230 nan 0.000 0.433 102 R N -0.339 120.180 120.500 0.031 0.000 2.096 102 R HA -0.247 4.093 4.340 0.001 0.000 0.240 102 R C 2.351 178.702 176.300 0.085 0.000 1.139 102 R CA 2.050 58.188 56.100 0.062 0.000 0.952 102 R CB -0.805 29.535 30.300 0.066 0.000 0.854 102 R HN 0.513 nan 8.270 nan 0.000 0.436 103 Q N -0.272 119.575 119.800 0.078 0.000 2.084 103 Q HA 0.026 4.366 4.340 0.001 0.000 0.202 103 Q C 1.914 177.987 176.000 0.121 0.000 0.978 103 Q CA 2.253 58.108 55.803 0.087 0.000 0.844 103 Q CB -0.569 28.210 28.738 0.069 0.000 0.898 103 Q HN 0.423 nan 8.270 nan 0.000 0.426 104 A N 0.476 123.383 122.820 0.144 0.000 1.877 104 A HA -0.213 4.107 4.320 0.001 0.000 0.216 104 A C 2.169 179.898 177.584 0.242 0.000 1.186 104 A CA 1.829 54.004 52.037 0.230 0.000 0.620 104 A CB -0.802 18.389 19.000 0.318 0.000 0.822 104 A HN 0.610 nan 8.150 nan 0.000 0.443 105 M N -0.340 119.359 119.600 0.165 0.000 2.082 105 M HA -0.175 4.305 4.480 0.001 0.000 0.258 105 M C 1.961 178.381 176.300 0.200 0.000 1.069 105 M CA 2.084 57.483 55.300 0.166 0.000 1.102 105 M CB -0.384 32.293 32.600 0.127 0.000 1.336 105 M HN 0.446 nan 8.290 nan 0.000 0.404 106 I N 0.359 121.024 120.570 0.159 0.000 2.226 106 I HA -0.314 3.857 4.170 0.001 0.000 0.245 106 I C 1.856 178.055 176.117 0.136 0.000 1.100 106 I CA 1.253 62.629 61.300 0.126 0.000 1.374 106 I CB -0.762 37.295 38.000 0.096 0.000 1.057 106 I HN 0.313 nan 8.210 nan 0.000 0.413 107 D N -0.206 120.300 120.400 0.177 0.000 2.117 107 D HA -0.237 4.404 4.640 0.001 0.000 0.197 107 D C 1.992 178.478 176.300 0.310 0.000 0.987 107 D CA 1.547 55.671 54.000 0.207 0.000 0.829 107 D CB -0.423 40.504 40.800 0.211 0.000 0.961 107 D HN 0.450 nan 8.370 nan 0.000 0.460 108 H N 0.640 119.890 119.070 0.301 0.000 2.321 108 H HA -0.027 4.530 4.556 0.001 0.000 0.300 108 H C 2.198 177.662 175.328 0.225 0.000 1.087 108 H CA 1.339 57.625 56.048 0.397 0.000 1.319 108 H CB -0.290 29.655 29.762 0.305 0.000 1.379 108 H HN 0.051 nan 8.280 nan 0.000 0.501 109 I N 0.296 120.931 120.570 0.108 0.000 2.163 109 I HA -0.315 3.855 4.170 0.001 0.000 0.243 109 I C 2.048 178.070 176.117 -0.158 0.000 1.085 109 I CA 1.357 62.615 61.300 -0.070 0.000 1.347 109 I CB -0.342 37.637 38.000 -0.034 0.000 1.044 109 I HN 0.393 nan 8.210 nan 0.000 0.408 110 N N 1.036 119.687 118.700 -0.081 0.000 2.166 110 N HA -0.112 4.628 4.740 0.001 0.000 0.186 110 N C 1.859 177.252 175.510 -0.195 0.000 1.019 110 N CA 1.544 54.529 53.050 -0.109 0.000 0.856 110 N CB -0.573 37.886 38.487 -0.047 0.000 0.993 110 N HN 0.447 nan 8.380 nan 0.000 0.426 111 G N 0.817 109.458 108.800 -0.265 0.000 2.404 111 G HA2 -0.153 3.807 3.960 0.001 0.000 0.215 111 G HA3 -0.153 3.807 3.960 0.001 0.000 0.215 111 G C 1.731 176.300 174.900 -0.551 0.000 1.174 111 G CA 0.816 45.496 45.100 -0.700 0.000 0.780 111 G HN 0.184 nan 8.290 nan 0.000 0.537 112 V N 1.079 120.791 119.914 -0.336 0.000 2.283 112 V HA -0.131 3.989 4.120 0.001 0.000 0.243 112 V C 2.885 178.940 176.094 -0.065 0.000 1.039 112 V CA 1.952 64.223 62.300 -0.048 0.000 1.016 112 V CB -0.488 31.313 31.823 -0.036 0.000 0.650 112 V HN 0.325 nan 8.190 nan 0.000 0.449 113 M N 0.464 119.919 119.600 -0.241 0.000 2.279 113 M HA -0.057 4.424 4.480 0.001 0.000 0.264 113 M C 2.208 178.454 176.300 -0.090 0.000 1.062 113 M CA 1.789 56.980 55.300 -0.182 0.000 1.099 113 M CB -0.750 31.648 32.600 -0.337 0.000 1.394 113 M HN 0.513 nan 8.290 nan 0.000 0.426 114 G N -0.898 107.808 108.800 -0.158 0.000 2.402 114 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 114 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 114 G C 1.186 175.961 174.900 -0.207 0.000 1.162 114 G CA 1.082 46.088 45.100 -0.156 0.000 0.777 114 G HN 0.453 nan 8.290 nan 0.000 0.539 115 H N -0.486 118.307 119.070 -0.462 0.000 2.387 115 H HA -0.033 4.523 4.556 0.001 0.000 0.299 115 H C 1.289 176.188 175.328 -0.715 0.000 1.090 115 H CA 1.229 56.821 56.048 -0.759 0.000 1.332 115 H CB -0.111 28.731 29.762 -1.534 0.000 1.386 115 H HN 0.409 nan 8.280 nan 0.000 0.516 116 Y N 0.514 120.617 120.300 -0.328 0.000 2.524 116 Y HA 0.209 4.759 4.550 0.001 0.000 0.266 116 Y C 0.772 176.591 175.900 -0.135 0.000 1.180 116 Y CA -0.416 57.513 58.100 -0.285 0.000 1.244 116 Y CB -0.081 38.361 38.460 -0.029 0.000 1.125 116 Y HN -0.001 nan 8.280 nan 0.000 0.524 117 K N 0.687 121.077 120.400 -0.018 0.000 2.530 117 K HA 0.051 4.372 4.320 0.001 0.000 0.280 117 K C 1.299 177.905 176.600 0.011 0.000 1.004 117 K CA 1.338 57.633 56.287 0.012 0.000 1.071 117 K CB -0.103 32.374 32.500 -0.038 0.000 0.876 117 K HN 0.636 nan 8.250 nan 0.000 0.487 118 G N 3.468 112.300 108.800 0.053 0.000 2.184 118 G HA2 -0.328 3.632 3.960 0.001 0.000 0.264 118 G HA3 -0.328 3.632 3.960 0.001 0.000 0.264 118 G C 0.431 175.361 174.900 0.049 0.000 0.975 118 G CA 0.982 46.108 45.100 0.044 0.000 0.642 118 G HN 0.760 nan 8.290 nan 0.000 0.536 119 K N -0.579 119.851 120.400 0.050 0.000 2.447 119 K HA 0.541 4.861 4.320 0.001 0.000 0.205 119 K C 0.228 176.877 176.600 0.082 0.000 1.059 119 K CA -0.504 55.827 56.287 0.074 0.000 1.065 119 K CB 0.902 33.436 32.500 0.056 0.000 0.885 119 K HN 0.262 nan 8.250 nan 0.000 0.545 120 I N 2.002 122.584 120.570 0.020 0.000 2.378 120 I HA 0.229 4.400 4.170 0.001 0.000 0.291 120 I C 1.104 177.164 176.117 -0.095 0.000 0.992 120 I CA -0.497 60.721 61.300 -0.136 0.000 1.154 120 I CB 1.311 39.074 38.000 -0.394 0.000 1.315 120 I HN 0.119 nan 8.210 nan 0.000 0.448 121 A N 6.309 129.055 122.820 -0.122 0.000 1.898 121 A HA -0.029 4.291 4.320 0.001 0.000 0.216 121 A C 0.754 178.308 177.584 -0.050 0.000 1.181 121 A CA 1.136 53.132 52.037 -0.069 0.000 0.620 121 A CB 0.084 19.026 19.000 -0.096 0.000 0.819 121 A HN 0.776 nan 8.150 nan 0.000 0.442 122 Q N -3.264 116.456 119.800 -0.133 0.000 2.379 122 Q HA 0.489 4.829 4.340 0.001 0.000 0.278 122 Q C -2.005 173.906 176.000 -0.149 0.000 1.068 122 Q CA -0.387 55.391 55.803 -0.041 0.000 0.816 122 Q CB 2.007 30.741 28.738 -0.006 0.000 1.387 122 Q HN 0.529 nan 8.270 nan 0.000 0.413 123 W N 1.037 122.361 121.300 0.040 0.000 2.702 123 W HA 0.331 4.991 4.660 0.000 0.000 0.331 123 W C -0.740 175.794 176.519 0.024 0.000 1.049 123 W CA -0.408 56.950 57.345 0.023 0.000 1.230 123 W CB 1.740 31.208 29.460 0.014 0.000 1.408 123 W HN 0.458 nan 8.180 nan 0.000 0.492 124 D N 3.143 123.739 120.400 0.326 0.000 2.453 124 D HA 0.098 4.738 4.640 0.001 0.000 0.223 124 D C 1.099 177.476 176.300 0.129 0.000 1.183 124 D CA 0.171 54.267 54.000 0.160 0.000 0.933 124 D CB 1.245 42.109 40.800 0.107 0.000 1.038 124 D HN 0.079 nan 8.370 nan 0.000 0.513 125 V N 1.764 121.695 119.914 0.028 0.000 2.270 125 V HA -0.115 4.005 4.120 0.001 0.000 0.245 125 V C 1.095 177.085 176.094 -0.172 0.000 1.043 125 V CA 1.024 63.207 62.300 -0.196 0.000 1.014 125 V CB 0.023 31.453 31.823 -0.655 0.000 0.645 125 V HN 0.257 nan 8.190 nan 0.000 0.447 126 V N 0.810 120.637 119.914 -0.145 0.000 2.495 126 V HA 0.479 4.600 4.120 0.001 0.000 0.298 126 V C -0.704 175.363 176.094 -0.045 0.000 1.031 126 V CA -0.648 61.686 62.300 0.055 0.000 0.871 126 V CB 1.658 33.587 31.823 0.177 0.000 0.988 126 V HN 0.460 nan 8.190 nan 0.000 0.432 127 N N 2.216 120.893 118.700 -0.038 0.000 2.342 127 N HA 0.379 5.119 4.740 0.001 0.000 0.293 127 N C -0.308 175.235 175.510 0.055 0.000 1.026 127 N CA -0.507 52.379 53.050 -0.274 0.000 0.857 127 N CB 1.293 39.337 38.487 -0.738 0.000 1.256 127 N HN 0.732 nan 8.380 nan 0.000 0.484 128 E N 1.033 121.255 120.200 0.037 0.000 2.183 128 E HA -0.265 4.085 4.350 0.001 0.000 0.196 128 E C -0.101 176.795 176.600 0.494 0.000 1.364 128 E CA 0.546 57.147 56.400 0.336 0.000 0.700 128 E CB -1.245 28.834 29.700 0.631 0.000 1.106 128 E HN 0.585 nan 8.360 nan 0.000 0.347 129 A N 0.027 123.189 122.820 0.569 0.000 2.132 129 A HA 0.193 4.514 4.320 0.001 0.000 0.213 129 A C 0.390 178.085 177.584 0.186 0.000 1.154 129 A CA 0.333 52.665 52.037 0.491 0.000 0.753 129 A CB 0.284 19.588 19.000 0.506 0.000 0.826 129 A HN 0.238 nan 8.150 nan 0.000 0.469 130 F N -0.485 119.573 119.950 0.179 0.000 2.403 130 F HA 0.513 5.040 4.527 0.001 0.000 0.326 130 F C 1.046 176.849 175.800 0.005 0.000 1.081 130 F CA -0.571 57.469 58.000 0.067 0.000 1.041 130 F CB 1.306 40.331 39.000 0.041 0.000 1.234 130 F HN -0.048 nan 8.300 nan 0.000 0.503 131 S N 0.060 115.839 115.700 0.131 0.000 2.632 131 S HA 0.189 4.660 4.470 0.001 0.000 0.267 131 S C 0.305 174.937 174.600 0.054 0.000 1.276 131 S CA -0.603 57.631 58.200 0.056 0.000 0.998 131 S CB 0.527 63.741 63.200 0.024 0.000 0.953 131 S HN 0.608 nan 8.310 nan 0.000 0.547 132 D N 0.764 121.183 120.400 0.032 0.000 2.398 132 D HA 0.057 4.697 4.640 0.001 0.000 0.210 132 D C 0.533 176.825 176.300 -0.012 0.000 1.094 132 D CA 0.163 54.169 54.000 0.011 0.000 0.839 132 D CB 0.069 40.908 40.800 0.065 0.000 0.963 132 D HN 0.735 nan 8.370 nan 0.000 0.506 133 D N 0.260 120.660 120.400 -0.000 0.000 2.371 133 D HA -0.002 4.638 4.640 0.001 0.000 0.234 133 D C 1.558 177.848 176.300 -0.016 0.000 1.049 133 D CA 0.682 54.676 54.000 -0.009 0.000 0.907 133 D CB -0.445 40.354 40.800 -0.003 0.000 0.891 133 D HN 0.173 nan 8.370 nan 0.000 0.531 134 G N -0.115 108.671 108.800 -0.025 0.000 2.162 134 G HA2 -0.372 3.588 3.960 0.001 0.000 0.260 134 G HA3 -0.372 3.588 3.960 0.001 0.000 0.260 134 G C 1.144 176.045 174.900 0.002 0.000 0.976 134 G CA 0.945 46.029 45.100 -0.026 0.000 0.655 134 G HN 0.702 nan 8.290 nan 0.000 0.533 135 S N -0.765 114.945 115.700 0.017 0.000 2.458 135 S HA 0.395 4.865 4.470 0.001 0.000 0.223 135 S C 2.311 176.943 174.600 0.053 0.000 1.019 135 S CA 1.467 59.684 58.200 0.028 0.000 0.937 135 S CB 0.069 63.284 63.200 0.024 0.000 0.788 135 S HN 2.338 nan 8.310 nan 0.000 0.511 136 G N 0.698 109.551 108.800 0.087 0.000 2.143 136 G HA2 -0.042 3.918 3.960 0.001 0.000 0.248 136 G HA3 -0.042 3.918 3.960 0.001 0.000 0.248 136 G C 0.312 175.365 174.900 0.256 0.000 0.991 136 G CA 0.036 45.225 45.100 0.148 0.000 0.689 136 G HN 1.095 nan 8.290 nan 0.000 0.522 137 G N -1.094 107.806 108.800 0.166 0.000 2.552 137 G HA2 0.677 4.637 3.960 0.001 0.000 0.324 137 G HA3 0.677 4.637 3.960 0.001 0.000 0.324 137 G C 0.191 175.036 174.900 -0.091 0.000 1.217 137 G CA -0.990 44.149 45.100 0.065 0.000 0.989 137 G HN 0.457 nan 8.290 nan 0.000 0.490 138 R N -0.535 119.765 120.500 -0.334 0.000 2.641 138 R HA 0.239 4.579 4.340 0.001 0.000 0.269 138 R C 0.599 176.797 176.300 -0.170 0.000 1.074 138 R CA -0.318 55.505 56.100 -0.461 0.000 1.133 138 R CB 0.676 30.731 30.300 -0.408 0.000 1.029 138 R HN 0.705 nan 8.270 nan 0.000 0.488 139 R N 0.381 120.810 120.500 -0.119 0.000 2.441 139 R HA 0.096 4.436 4.340 0.001 0.000 0.284 139 R C -0.757 175.499 176.300 -0.072 0.000 1.070 139 R CA -0.618 55.431 56.100 -0.085 0.000 1.047 139 R CB 0.634 30.856 30.300 -0.129 0.000 1.016 139 R HN 0.439 nan 8.270 nan 0.000 0.477 140 D N 2.409 122.767 120.400 -0.069 0.000 2.342 140 D HA 0.063 4.703 4.640 0.001 0.000 0.260 140 D C -0.814 175.435 176.300 -0.084 0.000 1.278 140 D CA 0.268 54.230 54.000 -0.062 0.000 0.910 140 D CB 0.593 41.363 40.800 -0.049 0.000 1.079 140 D HN 0.651 nan 8.370 nan 0.000 0.496 141 S N 2.684 118.323 115.700 -0.101 0.000 2.667 141 S HA 0.310 4.780 4.470 0.001 0.000 0.292 141 S C 1.153 175.650 174.600 -0.172 0.000 1.126 141 S CA -0.827 57.299 58.200 -0.123 0.000 0.881 141 S CB 1.212 64.346 63.200 -0.110 0.000 1.132 141 S HN 0.416 nan 8.310 nan 0.000 0.492 142 N N 1.268 119.861 118.700 -0.177 0.000 2.272 142 N HA -0.120 4.620 4.740 0.001 0.000 0.185 142 N C 1.495 176.835 175.510 -0.285 0.000 1.014 142 N CA 1.393 54.330 53.050 -0.189 0.000 0.870 142 N CB -0.982 37.404 38.487 -0.168 0.000 0.975 142 N HN 0.678 nan 8.380 nan 0.000 0.433 143 L N -0.312 120.638 121.223 -0.455 0.000 2.044 143 L HA -0.080 4.260 4.340 0.001 0.000 0.205 143 L C 2.762 179.053 176.870 -0.966 0.000 1.075 143 L CA 1.230 55.577 54.840 -0.823 0.000 0.747 143 L CB -0.569 40.676 42.059 -1.357 0.000 0.903 143 L HN 0.194 nan 8.230 nan 0.000 0.435 144 Q N 0.660 120.034 119.800 -0.710 0.000 2.170 144 Q HA -0.173 4.167 4.340 0.001 0.000 0.203 144 Q C 2.164 178.103 176.000 -0.103 0.000 0.976 144 Q CA 1.566 57.229 55.803 -0.233 0.000 0.858 144 Q CB -0.084 28.664 28.738 0.017 0.000 0.907 144 Q HN 0.255 nan 8.270 nan 0.000 0.433 145 R N -0.675 119.737 120.500 -0.146 0.000 2.235 145 R HA -0.038 4.303 4.340 0.001 0.000 0.213 145 R C 2.053 178.317 176.300 -0.060 0.000 1.059 145 R CA 1.393 57.445 56.100 -0.079 0.000 0.997 145 R CB -0.168 30.084 30.300 -0.081 0.000 0.884 145 R HN 0.516 nan 8.270 nan 0.000 0.462 146 T N -2.794 111.704 114.554 -0.094 0.000 3.023 146 T HA 0.117 4.467 4.350 0.001 0.000 0.266 146 T C 0.827 175.546 174.700 0.033 0.000 1.093 146 T CA 0.736 62.814 62.100 -0.038 0.000 1.129 146 T CB 0.522 69.357 68.868 -0.054 0.000 0.899 146 T HN 0.278 nan 8.240 nan 0.000 0.491 147 G N 0.435 109.282 108.800 0.078 0.000 2.282 147 G HA2 0.165 4.125 3.960 0.001 0.000 0.274 147 G HA3 0.165 4.125 3.960 0.001 0.000 0.274 147 G C -0.152 174.918 174.900 0.283 0.000 1.718 147 G CA -0.295 44.891 45.100 0.144 0.000 0.927 147 G HN 0.073 nan 8.290 nan 0.000 0.733 148 N N 0.575 119.404 118.700 0.216 0.000 2.334 148 N HA -0.144 4.597 4.740 0.001 0.000 0.187 148 N C 1.780 177.406 175.510 0.194 0.000 1.016 148 N CA 2.041 55.226 53.050 0.226 0.000 0.879 148 N CB 0.221 38.777 38.487 0.115 0.000 0.965 148 N HN 0.622 nan 8.380 nan 0.000 0.438 149 D N -0.351 120.157 120.400 0.179 0.000 2.336 149 D HA -0.121 4.520 4.640 0.001 0.000 0.229 149 D C 1.689 178.076 176.300 0.146 0.000 1.061 149 D CA -0.088 53.984 54.000 0.120 0.000 0.875 149 D CB -0.988 39.867 40.800 0.090 0.000 0.904 149 D HN 0.588 nan 8.370 nan 0.000 0.525 150 W N 1.326 122.680 121.300 0.089 0.000 2.342 150 W HA -0.121 4.539 4.660 0.001 0.000 0.297 150 W C 1.467 178.071 176.519 0.141 0.000 1.213 150 W CA 0.169 57.570 57.345 0.093 0.000 1.251 150 W CB -1.023 28.483 29.460 0.076 0.000 1.136 150 W HN -0.082 nan 8.180 nan 0.000 0.526 151 I N 1.389 121.566 120.570 -0.655 0.000 2.179 151 I HA -0.302 3.868 4.170 0.001 0.000 0.242 151 I C 2.816 178.986 176.117 0.088 0.000 1.088 151 I CA 2.278 63.289 61.300 -0.482 0.000 1.357 151 I CB -0.755 36.987 38.000 -0.430 0.000 1.051 151 I HN 0.040 nan 8.210 nan 0.000 0.409 152 E N 1.088 121.299 120.200 0.019 0.000 2.077 152 E HA -0.196 4.155 4.350 0.001 0.000 0.193 152 E C 2.331 178.914 176.600 -0.028 0.000 0.989 152 E CA 1.529 57.819 56.400 -0.183 0.000 0.800 152 E CB 0.135 29.655 29.700 -0.301 0.000 0.746 152 E HN 0.255 nan 8.360 nan 0.000 0.452 153 V N 1.384 121.318 119.914 0.033 0.000 2.287 153 V HA -0.301 3.819 4.120 0.001 0.000 0.248 153 V C 2.509 178.650 176.094 0.078 0.000 1.053 153 V CA 1.903 64.243 62.300 0.067 0.000 1.027 153 V CB -0.875 31.020 31.823 0.119 0.000 0.646 153 V HN 0.460 nan 8.190 nan 0.000 0.447 154 A N -0.504 122.373 122.820 0.096 0.000 1.883 154 A HA -0.208 4.112 4.320 0.001 0.000 0.217 154 A C 2.046 179.594 177.584 -0.060 0.000 1.186 154 A CA 2.003 54.055 52.037 0.026 0.000 0.624 154 A CB -0.771 18.234 19.000 0.009 0.000 0.822 154 A HN 0.470 nan 8.150 nan 0.000 0.444 155 F N -0.178 119.770 119.950 -0.003 0.000 2.171 155 F HA -0.110 4.418 4.527 0.000 0.000 0.300 155 F C 2.622 178.401 175.800 -0.035 0.000 1.090 155 F CA 1.667 59.660 58.000 -0.012 0.000 1.293 155 F CB -0.234 38.742 39.000 -0.040 0.000 1.013 155 F HN 0.109 nan 8.300 nan 0.000 0.486 156 R N -0.541 120.028 120.500 0.114 0.000 2.075 156 R HA -0.112 4.228 4.340 0.001 0.000 0.232 156 R C 2.122 178.442 176.300 0.034 0.000 1.126 156 R CA 1.891 58.018 56.100 0.046 0.000 0.963 156 R CB -1.043 29.261 30.300 0.006 0.000 0.858 156 R HN 0.205 nan 8.270 nan 0.000 0.435 157 T N 1.102 115.671 114.554 0.026 0.000 2.684 157 T HA -0.169 4.181 4.350 0.001 0.000 0.267 157 T C 1.968 176.657 174.700 -0.018 0.000 1.036 157 T CA 1.514 63.618 62.100 0.007 0.000 1.148 157 T CB -0.287 68.590 68.868 0.014 0.000 0.863 157 T HN 0.386 nan 8.240 nan 0.000 0.436 158 A N 1.898 124.696 122.820 -0.036 0.000 1.883 158 A HA -0.151 4.169 4.320 0.001 0.000 0.217 158 A C 2.252 179.829 177.584 -0.011 0.000 1.186 158 A CA 2.159 54.154 52.037 -0.071 0.000 0.624 158 A CB -0.616 18.320 19.000 -0.107 0.000 0.822 158 A HN 0.357 nan 8.150 nan 0.000 0.444 159 R N 0.265 120.790 120.500 0.043 0.000 2.091 159 R HA -0.093 4.247 4.340 0.001 0.000 0.238 159 R C 2.095 178.412 176.300 0.029 0.000 1.136 159 R CA 2.161 58.295 56.100 0.057 0.000 0.959 159 R CB -0.904 29.437 30.300 0.069 0.000 0.856 159 R HN 0.406 nan 8.270 nan 0.000 0.437 160 A N 0.131 122.960 122.820 0.014 0.000 1.898 160 A HA 0.016 4.336 4.320 0.001 0.000 0.216 160 A C 2.403 179.983 177.584 -0.007 0.000 1.181 160 A CA 1.709 53.748 52.037 0.005 0.000 0.620 160 A CB -1.088 17.913 19.000 0.002 0.000 0.819 160 A HN 0.504 nan 8.150 nan 0.000 0.442 161 A N -1.317 121.489 122.820 -0.024 0.000 1.933 161 A HA 0.006 4.326 4.320 0.001 0.000 0.218 161 A C 0.943 178.510 177.584 -0.029 0.000 1.175 161 A CA 1.811 53.821 52.037 -0.045 0.000 0.628 161 A CB -0.113 18.834 19.000 -0.087 0.000 0.814 161 A HN 0.434 nan 8.150 nan 0.000 0.444 162 D N -2.499 117.897 120.400 -0.006 0.000 2.337 162 D HA 0.214 4.854 4.640 0.001 0.000 0.238 162 D C -2.374 173.962 176.300 0.060 0.000 1.331 162 D CA -1.295 52.724 54.000 0.032 0.000 0.967 162 D CB 1.248 42.086 40.800 0.065 0.000 1.382 162 D HN 0.017 nan 8.370 nan 0.000 0.549 163 P HA 0.009 nan 4.420 nan 0.000 0.230 163 P C 0.983 178.325 177.300 0.069 0.000 1.158 163 P CA 0.295 63.429 63.100 0.057 0.000 0.769 163 P CB 0.422 32.146 31.700 0.039 0.000 0.807 164 A N 0.065 122.928 122.820 0.072 0.000 2.067 164 A HA 0.327 4.648 4.320 0.001 0.000 0.217 164 A C 1.495 179.137 177.584 0.097 0.000 1.156 164 A CA 0.561 52.642 52.037 0.074 0.000 0.683 164 A CB -0.790 18.248 19.000 0.063 0.000 0.808 164 A HN 0.305 nan 8.150 nan 0.000 0.455 165 A N 0.243 123.145 122.820 0.137 0.000 2.340 165 A HA 0.512 4.832 4.320 0.001 0.000 0.268 165 A C 0.080 177.769 177.584 0.176 0.000 1.100 165 A CA -0.465 51.679 52.037 0.179 0.000 0.803 165 A CB 0.215 19.414 19.000 0.332 0.000 1.043 165 A HN 0.367 nan 8.150 nan 0.000 0.488 166 K N 1.448 121.943 120.400 0.159 0.000 2.276 166 K HA 0.403 4.724 4.320 0.001 0.000 0.283 166 K C -1.037 175.698 176.600 0.226 0.000 1.044 166 K CA 0.108 56.493 56.287 0.164 0.000 0.944 166 K CB 0.686 33.266 32.500 0.132 0.000 1.012 166 K HN 0.583 nan 8.250 nan 0.000 0.472 167 L N 4.151 125.532 121.223 0.263 0.000 2.265 167 L HA 0.369 4.710 4.340 0.001 0.000 0.289 167 L C -0.435 176.697 176.870 0.436 0.000 1.033 167 L CA -0.915 54.145 54.840 0.367 0.000 0.814 167 L CB 0.989 43.315 42.059 0.445 0.000 1.203 167 L HN 0.659 nan 8.230 nan 0.000 0.423 168 c N 1.715 120.557 118.600 0.404 0.000 2.562 168 c HA 0.491 5.061 4.570 0.001 0.000 0.332 168 c C -0.269 174.099 174.090 0.463 0.000 1.201 168 c CA -0.947 55.597 56.329 0.359 0.000 1.803 168 c CB 1.639 44.255 42.510 0.177 0.000 2.328 168 c HN 0.632 nan 8.230 nan 0.000 0.500 169 Y N 2.268 122.744 120.300 0.293 0.000 2.331 169 Y HA 0.535 5.086 4.550 0.001 0.000 0.338 169 Y C -0.243 175.665 175.900 0.014 0.000 0.992 169 Y CA -0.268 57.992 58.100 0.266 0.000 1.121 169 Y CB 0.540 39.125 38.460 0.208 0.000 1.184 169 Y HN 0.778 nan 8.280 nan 0.000 0.469 170 N N 4.167 122.385 118.700 -0.803 0.000 2.321 170 N HA 0.427 5.168 4.740 0.001 0.000 0.299 170 N C -2.035 173.048 175.510 -0.711 0.000 1.048 170 N CA -0.292 52.399 53.050 -0.600 0.000 0.836 170 N CB 1.259 39.549 38.487 -0.329 0.000 1.269 170 N HN 0.759 nan 8.380 nan 0.000 0.486 171 D N 0.324 120.453 120.400 -0.452 0.000 2.653 171 D HA 0.232 4.872 4.640 0.001 0.000 0.258 171 D C -1.394 174.833 176.300 -0.122 0.000 1.252 171 D CA -0.301 53.544 54.000 -0.260 0.000 0.777 171 D CB 0.879 41.570 40.800 -0.181 0.000 1.339 171 D HN 0.415 nan 8.370 nan 0.000 0.422 172 Y N -0.340 119.958 120.300 -0.004 0.000 2.602 172 Y HA 0.525 5.075 4.550 0.001 0.000 0.330 172 Y C 0.749 176.726 175.900 0.129 0.000 1.114 172 Y CA -0.913 57.212 58.100 0.040 0.000 1.182 172 Y CB 0.510 39.043 38.460 0.122 0.000 1.305 172 Y HN 0.564 nan 8.280 nan 0.000 0.502 173 N N 0.540 119.434 118.700 0.324 0.000 2.725 173 N HA -0.229 4.511 4.740 0.001 0.000 0.249 173 N C -0.199 175.597 175.510 0.475 0.000 1.103 173 N CA 0.913 54.210 53.050 0.412 0.000 0.707 173 N CB -1.093 37.498 38.487 0.174 0.000 1.043 173 N HN 0.797 nan 8.380 nan 0.000 0.553 174 I N -4.003 116.790 120.570 0.372 0.000 3.833 174 I HA 0.292 4.463 4.170 0.001 0.000 0.328 174 I C 0.778 177.180 176.117 0.475 0.000 1.554 174 I CA -0.425 61.095 61.300 0.367 0.000 1.116 174 I CB 0.569 38.673 38.000 0.173 0.000 1.182 174 I HN -0.143 nan 8.210 nan 0.000 0.459 175 E N 1.121 121.526 120.200 0.342 0.000 2.190 175 E HA 0.076 4.426 4.350 0.001 0.000 0.191 175 E C 0.703 177.297 176.600 -0.010 0.000 0.978 175 E CA 0.321 56.819 56.400 0.163 0.000 0.839 175 E CB 0.066 29.684 29.700 -0.136 0.000 0.787 175 E HN 0.371 nan 8.360 nan 0.000 0.473 176 N N 0.703 119.110 118.700 -0.487 0.000 2.408 176 N HA -0.068 4.673 4.740 0.001 0.000 0.257 176 N C 0.134 175.439 175.510 -0.342 0.000 1.064 176 N CA -0.101 52.469 53.050 -0.801 0.000 0.952 176 N CB 0.350 37.518 38.487 -2.199 0.000 1.093 176 N HN 0.270 nan 8.380 nan 0.000 0.490 177 W N 3.675 124.821 121.300 -0.255 0.000 2.331 177 W HA -0.229 4.431 4.660 0.001 0.000 0.291 177 W C 1.236 177.696 176.519 -0.098 0.000 1.214 177 W CA 2.072 59.346 57.345 -0.118 0.000 1.228 177 W CB -0.033 29.354 29.460 -0.122 0.000 1.135 177 W HN 0.632 nan 8.180 nan 0.000 0.537 178 T N -2.434 112.014 114.554 -0.176 0.000 3.035 178 T HA -0.140 4.210 4.350 0.001 0.000 0.268 178 T C 0.529 175.232 174.700 0.005 0.000 1.109 178 T CA 0.142 62.156 62.100 -0.144 0.000 1.119 178 T CB -0.696 68.157 68.868 -0.024 0.000 0.900 178 T HN -0.056 nan 8.240 nan 0.000 0.503 179 W N 1.489 122.728 121.300 -0.102 0.000 2.181 179 W HA 0.645 5.306 4.660 0.001 0.000 0.335 179 W C 1.613 178.059 176.519 -0.122 0.000 1.310 179 W CA -1.442 55.860 57.345 -0.072 0.000 1.226 179 W CB 0.009 29.464 29.460 -0.009 0.000 1.155 179 W HN 0.249 nan 8.180 nan 0.000 0.565 180 A N 2.987 125.888 122.820 0.134 0.000 1.978 180 A HA -0.226 4.094 4.320 0.001 0.000 0.220 180 A C 2.069 179.674 177.584 0.034 0.000 1.170 180 A CA 1.791 53.848 52.037 0.034 0.000 0.636 180 A CB -0.419 18.595 19.000 0.023 0.000 0.810 180 A HN 0.694 nan 8.150 nan 0.000 0.448 181 K N -0.863 119.585 120.400 0.080 0.000 2.103 181 K HA -0.101 4.220 4.320 0.001 0.000 0.204 181 K C 1.944 178.548 176.600 0.006 0.000 1.052 181 K CA 1.653 57.975 56.287 0.058 0.000 0.945 181 K CB -0.233 32.306 32.500 0.065 0.000 0.722 181 K HN 0.462 nan 8.250 nan 0.000 0.443 182 T N 1.393 116.009 114.554 0.103 0.000 2.746 182 T HA -0.127 4.223 4.350 0.001 0.000 0.267 182 T C 1.749 176.439 174.700 -0.017 0.000 1.039 182 T CA 1.011 63.185 62.100 0.124 0.000 1.142 182 T CB -0.110 68.847 68.868 0.148 0.000 0.866 182 T HN 0.237 nan 8.240 nan 0.000 0.444 183 Q N 0.625 120.309 119.800 -0.193 0.000 2.079 183 Q HA 0.018 4.359 4.340 0.001 0.000 0.200 183 Q C 2.756 178.688 176.000 -0.114 0.000 0.974 183 Q CA 1.666 57.315 55.803 -0.257 0.000 0.840 183 Q CB -1.137 27.438 28.738 -0.272 0.000 0.898 183 Q HN 0.614 nan 8.270 nan 0.000 0.430 184 G N 0.371 109.097 108.800 -0.123 0.000 2.446 184 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 184 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 184 G C 1.636 176.249 174.900 -0.479 0.000 1.168 184 G CA 1.137 46.153 45.100 -0.141 0.000 0.771 184 G HN 0.278 nan 8.290 nan 0.000 0.551 185 V N -0.115 119.372 119.914 -0.713 0.000 2.307 185 V HA -0.185 3.935 4.120 0.001 0.000 0.245 185 V C 2.268 178.248 176.094 -0.189 0.000 1.045 185 V CA 1.810 63.681 62.300 -0.714 0.000 1.024 185 V CB -0.768 30.805 31.823 -0.416 0.000 0.651 185 V HN 0.476 nan 8.190 nan 0.000 0.449 186 Y N 2.035 122.281 120.300 -0.090 0.000 2.081 186 Y HA -0.301 4.250 4.550 0.001 0.000 0.280 186 Y C 2.569 178.310 175.900 -0.265 0.000 1.163 186 Y CA 2.240 60.160 58.100 -0.299 0.000 1.135 186 Y CB -0.445 37.770 38.460 -0.408 0.000 0.970 186 Y HN 0.283 nan 8.280 nan 0.000 0.498 187 N N 0.175 118.801 118.700 -0.123 0.000 2.149 187 N HA -0.249 4.492 4.740 0.001 0.000 0.188 187 N C 2.025 177.373 175.510 -0.269 0.000 1.019 187 N CA 1.804 54.750 53.050 -0.172 0.000 0.857 187 N CB -0.540 37.919 38.487 -0.045 0.000 0.997 187 N HN 0.568 nan 8.380 nan 0.000 0.426 188 M N 0.430 119.832 119.600 -0.329 0.000 2.132 188 M HA -0.095 4.385 4.480 0.001 0.000 0.263 188 M C 1.628 177.478 176.300 -0.750 0.000 1.065 188 M CA 1.234 56.220 55.300 -0.523 0.000 1.122 188 M CB 0.079 32.352 32.600 -0.544 0.000 1.365 188 M HN -0.136 nan 8.290 nan 0.000 0.411 189 V N 0.636 120.207 119.914 -0.572 0.000 2.427 189 V HA -0.236 3.884 4.120 0.001 0.000 0.248 189 V C 2.630 178.547 176.094 -0.296 0.000 1.051 189 V CA 1.556 63.614 62.300 -0.403 0.000 1.048 189 V CB -1.008 30.717 31.823 -0.164 0.000 0.666 189 V HN 0.491 nan 8.190 nan 0.000 0.456 190 R N 0.231 120.481 120.500 -0.416 0.000 2.080 190 R HA -0.221 4.119 4.340 0.001 0.000 0.236 190 R C 2.169 178.368 176.300 -0.167 0.000 1.137 190 R CA 2.373 58.260 56.100 -0.356 0.000 0.943 190 R CB -0.842 29.173 30.300 -0.474 0.000 0.846 190 R HN 0.651 nan 8.270 nan 0.000 0.431 191 D N -0.315 119.999 120.400 -0.145 0.000 2.092 191 D HA -0.181 4.459 4.640 0.001 0.000 0.193 191 D C 1.896 178.276 176.300 0.133 0.000 0.994 191 D CA 1.252 55.244 54.000 -0.014 0.000 0.828 191 D CB -0.190 40.604 40.800 -0.011 0.000 0.963 191 D HN 0.051 nan 8.370 nan 0.000 0.450 192 F N 1.006 120.873 119.950 -0.138 0.000 2.091 192 F HA -0.122 4.405 4.527 0.001 0.000 0.299 192 F C 2.350 178.077 175.800 -0.122 0.000 1.103 192 F CA 1.009 58.922 58.000 -0.145 0.000 1.228 192 F CB -0.760 38.109 39.000 -0.218 0.000 0.984 192 F HN 0.034 nan 8.300 nan 0.000 0.477 193 K N 0.256 120.709 120.400 0.088 0.000 2.148 193 K HA -0.136 4.184 4.320 0.001 0.000 0.204 193 K C 2.001 178.602 176.600 0.001 0.000 1.050 193 K CA 0.879 57.176 56.287 0.015 0.000 0.942 193 K CB -0.641 31.848 32.500 -0.018 0.000 0.724 193 K HN 0.436 nan 8.250 nan 0.000 0.446 194 Q N 0.222 120.022 119.800 0.001 0.000 2.079 194 Q HA -0.038 4.303 4.340 0.001 0.000 0.200 194 Q C 1.603 177.603 176.000 0.000 0.000 0.974 194 Q CA 1.135 56.935 55.803 -0.004 0.000 0.840 194 Q CB 0.051 28.785 28.738 -0.007 0.000 0.898 194 Q HN 0.219 nan 8.270 nan 0.000 0.430 195 R N -0.589 119.916 120.500 0.009 0.000 2.334 195 R HA 0.117 4.458 4.340 0.001 0.000 0.220 195 R C 0.754 177.033 176.300 -0.035 0.000 0.917 195 R CA 0.508 56.603 56.100 -0.009 0.000 1.073 195 R CB 0.478 30.776 30.300 -0.003 0.000 1.056 195 R HN 0.340 nan 8.270 nan 0.000 0.506 196 G N 1.230 110.010 108.800 -0.032 0.000 2.153 196 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 196 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 196 G C 0.307 175.156 174.900 -0.085 0.000 0.994 196 G CA 0.174 45.248 45.100 -0.043 0.000 0.698 196 G HN 0.173 nan 8.290 nan 0.000 0.521 197 V N 1.461 121.281 119.914 -0.156 0.000 2.599 197 V HA 0.262 4.382 4.120 0.001 0.000 0.300 197 V C -1.255 174.719 176.094 -0.200 0.000 1.034 197 V CA -0.581 61.539 62.300 -0.300 0.000 1.115 197 V CB 0.994 32.353 31.823 -0.774 0.000 0.934 197 V HN 0.193 nan 8.190 nan 0.000 0.485 198 P HA 0.300 nan 4.420 nan 0.000 0.266 198 P C -0.505 176.779 177.300 -0.027 0.000 1.419 198 P CA 0.412 63.497 63.100 -0.026 0.000 1.112 198 P CB 0.031 31.759 31.700 0.046 0.000 1.438 199 I N 2.401 122.920 120.570 -0.084 0.000 2.478 199 I HA 0.244 4.414 4.170 0.001 0.000 0.287 199 I C 0.019 176.152 176.117 0.027 0.000 1.042 199 I CA -0.575 60.650 61.300 -0.125 0.000 1.067 199 I CB 2.143 39.936 38.000 -0.345 0.000 1.233 199 I HN 0.056 nan 8.210 nan 0.000 0.431 200 D N 5.973 126.441 120.400 0.113 0.000 2.338 200 D HA 0.135 4.775 4.640 0.001 0.000 0.208 200 D C 0.065 176.441 176.300 0.126 0.000 0.997 200 D CA 0.582 54.652 54.000 0.116 0.000 0.880 200 D CB 0.522 41.403 40.800 0.136 0.000 0.980 200 D HN 0.581 nan 8.370 nan 0.000 0.509 201 c N -1.077 117.612 118.600 0.149 0.000 3.311 201 c HA 0.758 5.328 4.570 0.001 0.000 0.325 201 c C -0.676 173.492 174.090 0.129 0.000 1.352 201 c CA -1.048 55.366 56.329 0.143 0.000 1.308 201 c CB 1.613 44.208 42.510 0.143 0.000 1.619 201 c HN -0.106 nan 8.230 nan 0.000 0.469 202 V N 1.374 121.332 119.914 0.074 0.000 2.483 202 V HA 0.763 4.883 4.120 0.001 0.000 0.297 202 V C 0.653 176.620 176.094 -0.212 0.000 1.027 202 V CA 0.201 62.440 62.300 -0.102 0.000 0.855 202 V CB 1.625 33.273 31.823 -0.291 0.000 0.995 202 V HN 1.352 nan 8.190 nan 0.000 0.424 203 G N 3.385 112.024 108.800 -0.268 0.000 2.332 203 G HA2 0.613 4.573 3.960 0.001 0.000 0.310 203 G HA3 0.613 4.573 3.960 0.001 0.000 0.310 203 G C -1.054 173.587 174.900 -0.431 0.000 1.123 203 G CA -0.238 44.739 45.100 -0.205 0.000 0.873 203 G HN 0.443 nan 8.290 nan 0.000 0.460 204 F N 1.432 121.339 119.950 -0.072 0.000 2.332 204 F HA 0.280 4.807 4.527 0.001 0.000 0.368 204 F C 1.702 177.397 175.800 -0.174 0.000 1.110 204 F CA -0.561 57.400 58.000 -0.066 0.000 1.087 204 F CB 1.905 40.981 39.000 0.128 0.000 1.235 204 F HN 0.551 nan 8.300 nan 0.000 0.470 205 Q N 1.344 121.037 119.800 -0.177 0.000 2.096 205 Q HA -0.211 4.129 4.340 0.001 0.000 0.208 205 Q C 0.745 176.380 176.000 -0.608 0.000 0.993 205 Q CA 1.783 57.321 55.803 -0.442 0.000 0.862 205 Q CB -0.151 28.338 28.738 -0.415 0.000 0.915 205 Q HN 0.784 nan 8.270 nan 0.000 0.416 206 S N 0.011 115.378 115.700 -0.555 0.000 3.858 206 S HA -0.110 4.361 4.470 0.001 0.000 0.356 206 S C -0.862 173.119 174.600 -1.033 0.000 1.013 206 S CA 0.065 57.688 58.200 -0.961 0.000 1.083 206 S CB -1.480 61.404 63.200 -0.528 0.000 0.883 206 S HN 0.402 nan 8.310 nan 0.000 0.475 207 H N 0.677 119.426 119.070 -0.535 0.000 3.008 207 H HA 0.360 4.916 4.556 0.001 0.000 0.268 207 H C 0.081 175.272 175.328 -0.229 0.000 1.323 207 H CA -0.123 55.795 56.048 -0.217 0.000 1.401 207 H CB -0.297 29.484 29.762 0.031 0.000 1.556 207 H HN 0.264 nan 8.280 nan 0.000 0.502 208 F N 2.833 122.879 119.950 0.161 0.000 2.399 208 F HA 0.225 4.752 4.527 0.001 0.000 0.334 208 F C 0.823 176.686 175.800 0.104 0.000 1.097 208 F CA -0.644 57.426 58.000 0.116 0.000 1.076 208 F CB 1.105 40.136 39.000 0.051 0.000 1.162 208 F HN 0.552 nan 8.300 nan 0.000 0.495 209 N N -2.297 116.591 118.700 0.314 0.000 3.339 209 N HA 0.141 4.882 4.740 0.001 0.000 0.275 209 N C -0.053 175.553 175.510 0.160 0.000 1.514 209 N CA -0.262 52.897 53.050 0.181 0.000 0.879 209 N CB 0.270 38.823 38.487 0.111 0.000 1.557 209 N HN 0.227 nan 8.380 nan 0.000 0.524 210 S N -2.270 113.494 115.700 0.107 0.000 2.474 210 S HA 0.046 4.516 4.470 0.001 0.000 0.235 210 S C 1.636 176.297 174.600 0.100 0.000 0.997 210 S CA 1.094 59.351 58.200 0.095 0.000 0.949 210 S CB -1.119 62.120 63.200 0.065 0.000 0.766 210 S HN 0.812 nan 8.310 nan 0.000 0.517 211 G N 0.520 109.377 108.800 0.094 0.000 2.408 211 G HA2 0.163 4.123 3.960 0.001 0.000 0.215 211 G HA3 0.163 4.123 3.960 0.001 0.000 0.215 211 G C 0.514 175.488 174.900 0.124 0.000 1.156 211 G CA 0.383 45.530 45.100 0.079 0.000 0.793 211 G HN 0.553 nan 8.290 nan 0.000 0.535 212 S N 1.893 117.718 115.700 0.208 0.000 2.216 212 S HA 0.387 4.858 4.470 0.001 0.000 0.156 212 S C -2.705 172.178 174.600 0.471 0.000 1.665 212 S CA -0.809 57.619 58.200 0.379 0.000 1.262 212 S CB 2.404 65.823 63.200 0.365 0.000 1.207 212 S HN 0.181 nan 8.310 nan 0.000 0.427 213 P HA 0.156 nan 4.420 nan 0.000 0.276 213 P C -0.669 176.689 177.300 0.097 0.000 1.252 213 P CA -0.514 62.729 63.100 0.238 0.000 0.802 213 P CB 0.616 32.397 31.700 0.135 0.000 1.035 214 Y N 1.800 121.861 120.300 -0.399 0.000 2.425 214 Y HA 0.225 4.775 4.550 0.001 0.000 0.331 214 Y C 0.061 175.719 175.900 -0.404 0.000 1.157 214 Y CA 0.209 57.761 58.100 -0.915 0.000 1.372 214 Y CB 0.298 38.035 38.460 -1.204 0.000 1.253 214 Y HN 0.320 nan 8.280 nan 0.000 0.536 215 N N 2.420 120.415 118.700 -1.175 0.000 2.240 215 N HA 0.096 4.836 4.740 0.001 0.000 0.302 215 N C 0.283 175.115 175.510 -1.128 0.000 1.106 215 N CA 0.196 52.750 53.050 -0.828 0.000 0.778 215 N CB 2.130 40.328 38.487 -0.481 0.000 1.431 215 N HN 0.820 nan 8.380 nan 0.000 0.479 216 S N 1.948 117.278 115.700 -0.616 0.000 2.442 216 S HA -0.206 4.264 4.470 0.001 0.000 0.236 216 S C 1.202 175.665 174.600 -0.228 0.000 1.007 216 S CA 1.218 59.221 58.200 -0.328 0.000 0.965 216 S CB -0.540 62.603 63.200 -0.096 0.000 0.773 216 S HN 0.782 nan 8.310 nan 0.000 0.504 217 N N 1.111 119.670 118.700 -0.234 0.000 2.609 217 N HA -0.069 4.672 4.740 0.001 0.000 0.190 217 N C 0.961 176.423 175.510 -0.080 0.000 1.157 217 N CA 0.333 53.297 53.050 -0.143 0.000 0.918 217 N CB -0.974 37.453 38.487 -0.100 0.000 0.978 217 N HN 0.423 nan 8.380 nan 0.000 0.448 218 F N 1.748 121.514 119.950 -0.306 0.000 2.171 218 F HA 0.053 4.580 4.527 0.001 0.000 0.300 218 F C 2.300 178.000 175.800 -0.166 0.000 1.090 218 F CA 0.826 58.696 58.000 -0.217 0.000 1.293 218 F CB -0.374 38.525 39.000 -0.168 0.000 1.013 218 F HN 0.106 nan 8.300 nan 0.000 0.486 219 R N -0.476 119.896 120.500 -0.214 0.000 2.096 219 R HA -0.137 4.203 4.340 0.001 0.000 0.235 219 R C 1.989 178.120 176.300 -0.281 0.000 1.127 219 R CA 1.972 57.896 56.100 -0.294 0.000 0.968 219 R CB -0.485 29.719 30.300 -0.160 0.000 0.861 219 R HN 0.264 nan 8.270 nan 0.000 0.440 220 T N -0.141 114.268 114.554 -0.241 0.000 2.777 220 T HA -0.096 4.255 4.350 0.001 0.000 0.266 220 T C 1.690 176.171 174.700 -0.365 0.000 1.040 220 T CA 1.822 63.731 62.100 -0.320 0.000 1.141 220 T CB -0.306 68.352 68.868 -0.350 0.000 0.868 220 T HN 0.361 nan 8.240 nan 0.000 0.444 221 T N 2.712 117.162 114.554 -0.173 0.000 2.684 221 T HA 0.000 4.351 4.350 0.001 0.000 0.267 221 T C 2.007 176.758 174.700 0.085 0.000 1.036 221 T CA 0.974 63.149 62.100 0.125 0.000 1.148 221 T CB -0.547 68.519 68.868 0.330 0.000 0.863 221 T HN 0.241 nan 8.240 nan 0.000 0.436 222 L N 0.660 121.705 121.223 -0.297 0.000 2.042 222 L HA -0.188 4.153 4.340 0.001 0.000 0.210 222 L C 2.916 179.732 176.870 -0.091 0.000 1.076 222 L CA 1.546 56.183 54.840 -0.338 0.000 0.749 222 L CB -0.631 41.063 42.059 -0.607 0.000 0.893 222 L HN 0.345 nan 8.230 nan 0.000 0.432 223 Q N -0.427 119.280 119.800 -0.154 0.000 2.119 223 Q HA -0.160 4.180 4.340 0.001 0.000 0.201 223 Q C 2.039 177.991 176.000 -0.080 0.000 0.972 223 Q CA 1.278 57.010 55.803 -0.118 0.000 0.847 223 Q CB -0.091 28.546 28.738 -0.169 0.000 0.903 223 Q HN 0.478 nan 8.270 nan 0.000 0.433 224 N N 0.124 118.734 118.700 -0.150 0.000 2.142 224 N HA -0.111 4.629 4.740 0.001 0.000 0.186 224 N C 1.413 176.996 175.510 0.123 0.000 1.023 224 N CA 1.121 54.072 53.050 -0.166 0.000 0.852 224 N CB -0.270 37.817 38.487 -0.667 0.000 0.998 224 N HN 0.162 nan 8.380 nan 0.000 0.424 225 F N 1.279 121.351 119.950 0.203 0.000 2.146 225 F HA -0.013 4.514 4.527 0.000 0.000 0.298 225 F C 2.365 178.250 175.800 0.142 0.000 1.096 225 F CA 1.018 59.185 58.000 0.279 0.000 1.275 225 F CB -0.535 38.694 39.000 0.382 0.000 1.008 225 F HN 0.006 nan 8.300 nan 0.000 0.480 226 A N -0.118 122.859 122.820 0.263 0.000 2.019 226 A HA -0.069 4.251 4.320 0.001 0.000 0.219 226 A C 2.295 179.928 177.584 0.083 0.000 1.164 226 A CA 1.512 53.633 52.037 0.139 0.000 0.644 226 A CB -1.194 17.847 19.000 0.067 0.000 0.805 226 A HN 0.301 nan 8.150 nan 0.000 0.449 227 A N -0.576 122.282 122.820 0.063 0.000 2.121 227 A HA 0.137 4.458 4.320 0.001 0.000 0.218 227 A C 1.871 179.472 177.584 0.029 0.000 1.154 227 A CA 0.979 53.033 52.037 0.028 0.000 0.679 227 A CB -0.436 18.566 19.000 0.004 0.000 0.795 227 A HN 0.477 nan 8.150 nan 0.000 0.458 228 L N -1.590 119.657 121.223 0.039 0.000 2.554 228 L HA 0.154 4.494 4.340 0.001 0.000 0.226 228 L C 1.660 178.538 176.870 0.013 0.000 1.137 228 L CA 0.658 55.493 54.840 -0.008 0.000 0.863 228 L CB -0.137 41.877 42.059 -0.074 0.000 0.985 228 L HN 0.574 nan 8.230 nan 0.000 0.451 229 G N 0.524 109.349 108.800 0.042 0.000 2.144 229 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 229 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 229 G C 0.149 175.086 174.900 0.063 0.000 0.988 229 G CA 0.031 45.156 45.100 0.042 0.000 0.659 229 G HN 0.187 nan 8.290 nan 0.000 0.522 230 V N -2.381 117.591 119.914 0.097 0.000 2.769 230 V HA 0.843 4.964 4.120 0.001 0.000 0.312 230 V C -0.042 176.131 176.094 0.132 0.000 1.058 230 V CA -1.515 60.856 62.300 0.118 0.000 0.952 230 V CB 1.942 33.858 31.823 0.154 0.000 1.019 230 V HN 0.048 nan 8.190 nan 0.000 0.445 231 D N 1.451 121.924 120.400 0.122 0.000 2.329 231 D HA 0.560 5.200 4.640 0.001 0.000 0.246 231 D C -0.053 176.336 176.300 0.149 0.000 1.111 231 D CA 0.100 54.170 54.000 0.117 0.000 0.941 231 D CB 2.030 42.895 40.800 0.108 0.000 1.169 231 D HN 0.879 nan 8.370 nan 0.000 0.441 232 V N -2.531 117.467 119.914 0.140 0.000 2.914 232 V HA 0.941 5.062 4.120 0.001 0.000 0.314 232 V C -0.822 175.362 176.094 0.150 0.000 1.084 232 V CA -0.938 61.482 62.300 0.201 0.000 0.963 232 V CB 1.556 33.511 31.823 0.220 0.000 1.025 232 V HN 0.661 nan 8.190 nan 0.000 0.432 233 A N 3.875 126.821 122.820 0.211 0.000 2.486 233 A HA 0.857 5.177 4.320 0.001 0.000 0.300 233 A C -0.947 176.758 177.584 0.201 0.000 1.048 233 A CA -0.674 51.452 52.037 0.149 0.000 0.696 233 A CB 1.518 20.619 19.000 0.169 0.000 1.278 233 A HN 0.958 nan 8.150 nan 0.000 0.405 234 I N 2.824 123.469 120.570 0.124 0.000 2.291 234 I HA 0.209 4.380 4.170 0.001 0.000 0.292 234 I C 1.557 177.703 176.117 0.048 0.000 1.064 234 I CA 0.064 61.449 61.300 0.142 0.000 1.269 234 I CB 1.540 39.623 38.000 0.138 0.000 1.418 234 I HN 0.918 nan 8.210 nan 0.000 0.485 235 T N 0.999 115.547 114.554 -0.011 0.000 3.033 235 T HA 0.146 4.496 4.350 0.001 0.000 0.248 235 T C 0.834 175.437 174.700 -0.162 0.000 1.040 235 T CA 0.336 62.389 62.100 -0.079 0.000 1.133 235 T CB 0.085 68.866 68.868 -0.144 0.000 0.895 235 T HN 0.559 nan 8.240 nan 0.000 0.465 236 E N 1.091 121.079 120.200 -0.354 0.000 3.575 236 E HA 0.348 4.698 4.350 0.001 0.000 0.201 236 E C -0.996 175.408 176.600 -0.326 0.000 0.999 236 E CA -0.488 55.626 56.400 -0.477 0.000 1.315 236 E CB 0.712 29.644 29.700 -1.279 0.000 1.146 236 E HN 0.266 nan 8.360 nan 0.000 0.453 237 L N 2.898 124.068 121.223 -0.088 0.000 2.499 237 L HA 0.095 4.435 4.340 0.001 0.000 0.273 237 L C -0.749 176.259 176.870 0.231 0.000 1.195 237 L CA 0.725 55.569 54.840 0.006 0.000 0.882 237 L CB 0.130 42.246 42.059 0.096 0.000 1.133 237 L HN 0.158 nan 8.230 nan 0.000 0.483 238 D N 4.014 124.543 120.400 0.213 0.000 2.836 238 D HA 0.419 5.060 4.640 0.001 0.000 0.215 238 D C -1.049 175.379 176.300 0.212 0.000 1.255 238 D CA -0.317 53.886 54.000 0.338 0.000 0.822 238 D CB 0.380 41.484 40.800 0.506 0.000 1.656 238 D HN 0.391 nan 8.370 nan 0.000 0.511 239 I N 0.920 121.574 120.570 0.140 0.000 2.418 239 I HA 0.249 4.419 4.170 0.001 0.000 0.287 239 I C 0.092 176.303 176.117 0.155 0.000 1.008 239 I CA -0.977 60.383 61.300 0.100 0.000 1.104 239 I CB 2.017 39.921 38.000 -0.160 0.000 1.264 239 I HN 0.391 nan 8.210 nan 0.000 0.438 240 Q N 5.262 125.151 119.800 0.148 0.000 2.264 240 Q HA 0.107 4.447 4.340 0.001 0.000 0.296 240 Q C 1.127 177.188 176.000 0.102 0.000 1.103 240 Q CA 1.428 57.299 55.803 0.113 0.000 0.967 240 Q CB 0.328 29.119 28.738 0.089 0.000 1.090 240 Q HN 1.038 nan 8.270 nan 0.000 0.379 241 G N 3.216 112.078 108.800 0.103 0.000 2.241 241 G HA2 -0.329 3.631 3.960 0.001 0.000 0.244 241 G HA3 -0.329 3.631 3.960 0.001 0.000 0.244 241 G C 0.514 175.483 174.900 0.114 0.000 0.998 241 G CA 0.147 45.299 45.100 0.086 0.000 0.621 241 G HN 1.856 nan 8.290 nan 0.000 0.519 242 A N -0.925 122.007 122.820 0.186 0.000 2.745 242 A HA 0.076 4.397 4.320 0.001 0.000 0.296 242 A C 1.327 179.057 177.584 0.243 0.000 1.500 242 A CA 1.854 54.082 52.037 0.320 0.000 0.766 242 A CB -2.003 17.161 19.000 0.272 0.000 1.030 242 A HN 2.491 nan 8.150 nan 0.000 0.489 243 S N -0.026 115.761 115.700 0.145 0.000 2.575 243 S HA 0.287 4.757 4.470 0.001 0.000 0.295 243 S C 1.551 176.221 174.600 0.117 0.000 1.267 243 S CA 0.480 58.725 58.200 0.074 0.000 1.074 243 S CB 0.463 63.675 63.200 0.019 0.000 0.829 243 S HN 1.057 nan 8.310 nan 0.000 0.497 244 S N 4.293 120.020 115.700 0.044 0.000 2.370 244 S HA -0.100 4.370 4.470 0.001 0.000 0.226 244 S C 2.189 176.812 174.600 0.038 0.000 1.033 244 S CA 1.655 59.877 58.200 0.037 0.000 1.011 244 S CB -0.434 62.736 63.200 -0.051 0.000 0.852 244 S HN 0.801 nan 8.310 nan 0.000 0.457 245 S N 1.067 116.764 115.700 -0.004 0.000 2.368 245 S HA -0.085 4.385 4.470 0.001 0.000 0.224 245 S C 2.150 176.706 174.600 -0.074 0.000 1.029 245 S CA 1.503 59.690 58.200 -0.023 0.000 0.988 245 S CB -0.607 62.578 63.200 -0.024 0.000 0.838 245 S HN 0.602 nan 8.310 nan 0.000 0.462 246 T N 0.728 115.217 114.554 -0.109 0.000 2.777 246 T HA -0.063 4.287 4.350 0.001 0.000 0.266 246 T C 1.491 176.010 174.700 -0.303 0.000 1.040 246 T CA 1.136 63.056 62.100 -0.301 0.000 1.141 246 T CB -0.414 68.290 68.868 -0.275 0.000 0.868 246 T HN 0.354 nan 8.240 nan 0.000 0.444 247 Y N 1.484 121.710 120.300 -0.124 0.000 2.224 247 Y HA 0.021 4.571 4.550 0.001 0.000 0.289 247 Y C 2.674 178.540 175.900 -0.057 0.000 1.146 247 Y CA 0.705 58.776 58.100 -0.049 0.000 1.182 247 Y CB -0.632 37.830 38.460 0.004 0.000 0.983 247 Y HN 0.206 nan 8.280 nan 0.000 0.524 248 A N -0.472 122.400 122.820 0.087 0.000 1.930 248 A HA -0.053 4.267 4.320 0.001 0.000 0.217 248 A C 2.409 179.981 177.584 -0.019 0.000 1.175 248 A CA 1.498 53.555 52.037 0.033 0.000 0.627 248 A CB -1.158 17.852 19.000 0.015 0.000 0.815 248 A HN 0.394 nan 8.150 nan 0.000 0.443 249 A N -0.407 122.345 122.820 -0.112 0.000 1.877 249 A HA -0.021 4.300 4.320 0.001 0.000 0.216 249 A C 2.216 179.722 177.584 -0.130 0.000 1.186 249 A CA 1.825 53.770 52.037 -0.154 0.000 0.620 249 A CB -1.014 17.800 19.000 -0.310 0.000 0.822 249 A HN 0.386 nan 8.150 nan 0.000 0.443 250 V N -0.094 119.674 119.914 -0.243 0.000 2.343 250 V HA -0.238 3.882 4.120 0.001 0.000 0.247 250 V C 2.750 178.907 176.094 0.106 0.000 1.051 250 V CA 2.489 64.799 62.300 0.017 0.000 1.036 250 V CB -1.293 30.549 31.823 0.031 0.000 0.654 250 V HN 0.625 nan 8.190 nan 0.000 0.451 251 T N 0.185 114.798 114.554 0.098 0.000 2.708 251 T HA -0.167 4.183 4.350 0.001 0.000 0.266 251 T C 1.839 176.571 174.700 0.054 0.000 1.037 251 T CA 1.583 63.755 62.100 0.119 0.000 1.146 251 T CB -0.376 68.581 68.868 0.149 0.000 0.865 251 T HN 0.417 nan 8.240 nan 0.000 0.435 252 N N 1.245 119.963 118.700 0.030 0.000 2.244 252 N HA -0.085 4.655 4.740 0.001 0.000 0.183 252 N C 1.477 176.981 175.510 -0.010 0.000 1.016 252 N CA 0.893 53.948 53.050 0.008 0.000 0.866 252 N CB -0.339 38.152 38.487 0.006 0.000 0.980 252 N HN 0.369 nan 8.380 nan 0.000 0.430 253 D N 0.280 120.678 120.400 -0.003 0.000 2.117 253 D HA -0.105 4.535 4.640 0.001 0.000 0.197 253 D C 2.045 178.266 176.300 -0.131 0.000 0.987 253 D CA 0.522 54.481 54.000 -0.068 0.000 0.829 253 D CB -0.536 40.227 40.800 -0.062 0.000 0.961 253 D HN 0.202 nan 8.370 nan 0.000 0.460 254 c N 0.472 119.016 118.600 -0.093 0.000 2.453 254 c HA -0.044 4.527 4.570 0.001 0.000 0.277 254 c C 2.775 176.818 174.090 -0.078 0.000 1.262 254 c CA 0.317 56.583 56.329 -0.105 0.000 1.718 254 c CB -1.224 41.248 42.510 -0.064 0.000 2.031 254 c HN 0.289 nan 8.230 nan 0.000 0.480 255 L N 1.158 122.355 121.223 -0.044 0.000 2.191 255 L HA -0.078 4.263 4.340 0.001 0.000 0.212 255 L C 2.787 179.632 176.870 -0.042 0.000 1.103 255 L CA 1.426 56.246 54.840 -0.033 0.000 0.769 255 L CB -0.620 41.431 42.059 -0.013 0.000 0.908 255 L HN 0.470 nan 8.230 nan 0.000 0.438 256 A N -0.763 122.024 122.820 -0.055 0.000 2.169 256 A HA 0.146 4.467 4.320 0.001 0.000 0.212 256 A C 0.870 178.412 177.584 -0.071 0.000 1.153 256 A CA 0.274 52.276 52.037 -0.059 0.000 0.756 256 A CB -0.018 18.943 19.000 -0.065 0.000 0.813 256 A HN 0.137 nan 8.150 nan 0.000 0.471 257 V N 1.407 121.271 119.914 -0.082 0.000 2.334 257 V HA 0.144 4.265 4.120 0.001 0.000 0.281 257 V C 1.359 177.421 176.094 -0.054 0.000 1.016 257 V CA 0.202 62.453 62.300 -0.081 0.000 0.832 257 V CB 0.931 32.683 31.823 -0.119 0.000 0.999 257 V HN 0.567 nan 8.190 nan 0.000 0.439 258 S N 4.449 120.127 115.700 -0.037 0.000 2.402 258 S HA -0.162 4.309 4.470 0.001 0.000 0.233 258 S C 1.573 176.166 174.600 -0.011 0.000 1.030 258 S CA 0.903 59.090 58.200 -0.021 0.000 1.003 258 S CB -0.208 62.984 63.200 -0.013 0.000 0.813 258 S HN 0.661 nan 8.310 nan 0.000 0.477 259 R N 0.261 120.757 120.500 -0.006 0.000 2.313 259 R HA 0.200 4.540 4.340 0.001 0.000 0.199 259 R C 0.299 176.605 176.300 0.011 0.000 0.958 259 R CA 0.009 56.119 56.100 0.016 0.000 1.047 259 R CB -1.093 29.230 30.300 0.038 0.000 0.955 259 R HN 0.481 nan 8.270 nan 0.000 0.481 260 c N 1.948 120.532 118.600 -0.026 0.000 2.416 260 c HA 0.202 4.772 4.570 0.001 0.000 0.355 260 c C 2.058 176.105 174.090 -0.072 0.000 1.211 260 c CA -0.608 55.690 56.329 -0.051 0.000 1.699 260 c CB -1.157 41.295 42.510 -0.096 0.000 2.310 260 c HN 0.442 nan 8.230 nan 0.000 0.539 261 L N 5.324 126.512 121.223 -0.058 0.000 2.093 261 L HA 0.232 4.573 4.340 0.001 0.000 0.208 261 L C 1.566 178.168 176.870 -0.447 0.000 1.085 261 L CA 1.233 56.023 54.840 -0.085 0.000 0.755 261 L CB -0.680 41.448 42.059 0.115 0.000 0.904 261 L HN 0.924 nan 8.230 nan 0.000 0.435 262 G N -0.817 107.598 108.800 -0.642 0.000 2.317 262 G HA2 0.390 4.350 3.960 0.001 0.000 0.293 262 G HA3 0.390 4.350 3.960 0.001 0.000 0.293 262 G C -1.809 172.692 174.900 -0.665 0.000 1.287 262 G CA -0.768 43.697 45.100 -1.057 0.000 0.850 262 G HN -0.101 nan 8.290 nan 0.000 0.515 263 I N 0.324 120.533 120.570 -0.601 0.000 2.582 263 I HA 0.541 4.712 4.170 0.001 0.000 0.292 263 I C -0.555 175.304 176.117 -0.429 0.000 1.066 263 I CA -0.697 60.355 61.300 -0.414 0.000 1.053 263 I CB 2.722 40.424 38.000 -0.497 0.000 1.241 263 I HN 0.372 nan 8.210 nan 0.000 0.421 264 T N 5.151 119.608 114.554 -0.161 0.000 2.809 264 T HA 0.420 4.770 4.350 0.001 0.000 0.284 264 T C -0.290 174.420 174.700 0.017 0.000 0.992 264 T CA -0.527 61.538 62.100 -0.059 0.000 0.957 264 T CB 1.567 70.487 68.868 0.085 0.000 0.942 264 T HN 0.383 nan 8.240 nan 0.000 0.439 265 V N 1.277 121.237 119.914 0.077 0.000 2.607 265 V HA 0.468 4.589 4.120 0.001 0.000 0.289 265 V C 0.260 176.510 176.094 0.260 0.000 1.053 265 V CA -1.083 61.379 62.300 0.268 0.000 0.996 265 V CB 1.198 33.295 31.823 0.456 0.000 0.995 265 V HN 1.001 nan 8.190 nan 0.000 0.476 266 W N 5.167 126.509 121.300 0.071 0.000 1.438 266 W HA 0.548 5.208 4.660 0.000 0.000 0.455 266 W C 0.569 177.127 176.519 0.065 0.000 0.656 266 W CA 0.615 57.968 57.345 0.015 0.000 2.049 266 W CB 0.033 29.513 29.460 0.033 0.000 1.683 266 W HN 1.250 nan 8.180 nan 0.000 0.228 267 G N 0.099 108.813 108.800 -0.145 0.000 2.340 267 G HA2 -0.102 3.859 3.960 0.001 0.000 0.527 267 G HA3 -0.102 3.859 3.960 0.001 0.000 0.527 267 G C -0.560 174.341 174.900 0.002 0.000 1.381 267 G CA -0.650 44.385 45.100 -0.108 0.000 1.001 267 G HN 0.044 nan 8.290 nan 0.000 0.626 268 V N 0.413 120.349 119.914 0.036 0.000 2.398 268 V HA 0.286 4.406 4.120 0.001 0.000 0.236 268 V C 1.573 177.823 176.094 0.260 0.000 1.054 268 V CA 1.621 63.978 62.300 0.095 0.000 1.060 268 V CB -0.452 31.256 31.823 -0.191 0.000 0.707 268 V HN 0.694 nan 8.190 nan 0.000 0.480 269 R N 0.522 121.150 120.500 0.213 0.000 2.643 269 R HA 0.291 4.631 4.340 0.001 0.000 0.272 269 R C 0.716 177.141 176.300 0.209 0.000 0.995 269 R CA -0.632 55.611 56.100 0.238 0.000 1.032 269 R CB 0.724 31.131 30.300 0.179 0.000 1.126 269 R HN 0.169 nan 8.270 nan 0.000 0.505 270 D N 0.647 121.162 120.400 0.191 0.000 2.158 270 D HA -0.175 4.465 4.640 0.001 0.000 0.197 270 D C 1.637 178.018 176.300 0.135 0.000 0.995 270 D CA 2.197 56.295 54.000 0.163 0.000 0.846 270 D CB -0.194 40.683 40.800 0.129 0.000 0.941 270 D HN 0.694 nan 8.370 nan 0.000 0.456 271 T N -1.756 112.867 114.554 0.115 0.000 3.035 271 T HA -0.084 4.267 4.350 0.001 0.000 0.268 271 T C 1.177 175.928 174.700 0.085 0.000 1.109 271 T CA 0.721 62.873 62.100 0.087 0.000 1.119 271 T CB 0.069 68.977 68.868 0.067 0.000 0.900 271 T HN -0.013 nan 8.240 nan 0.000 0.503 272 D N 1.319 121.787 120.400 0.114 0.000 2.348 272 D HA 0.115 4.756 4.640 0.001 0.000 0.211 272 D C 0.975 177.346 176.300 0.118 0.000 0.998 272 D CA 0.202 54.260 54.000 0.097 0.000 0.873 272 D CB 0.092 40.986 40.800 0.157 0.000 0.925 272 D HN 0.442 nan 8.370 nan 0.000 0.524 273 S N 1.171 116.976 115.700 0.175 0.000 2.572 273 S HA 0.019 4.489 4.470 0.001 0.000 0.279 273 S C 1.268 176.063 174.600 0.325 0.000 1.341 273 S CA -0.786 57.586 58.200 0.287 0.000 1.043 273 S CB 0.568 63.950 63.200 0.302 0.000 0.887 273 S HN 0.321 nan 8.310 nan 0.000 0.516 274 W N 4.963 126.325 121.300 0.104 0.000 2.721 274 W HA 0.158 4.819 4.660 0.001 0.000 0.245 274 W C 0.386 176.943 176.519 0.064 0.000 1.276 274 W CA -0.025 57.373 57.345 0.089 0.000 1.342 274 W CB -0.903 28.641 29.460 0.140 0.000 1.135 274 W HN 0.654 nan 8.180 nan 0.000 0.654 275 R N 1.204 121.616 120.500 -0.146 0.000 2.772 275 R HA 0.075 4.415 4.340 0.001 0.000 0.358 275 R C 1.739 178.015 176.300 -0.040 0.000 1.143 275 R CA 0.531 56.465 56.100 -0.278 0.000 1.153 275 R CB 0.280 30.279 30.300 -0.502 0.000 1.329 275 R HN 0.060 nan 8.270 nan 0.000 0.615 276 S N -0.794 114.924 115.700 0.030 0.000 2.402 276 S HA -0.175 4.295 4.470 0.001 0.000 0.233 276 S C 2.008 176.631 174.600 0.038 0.000 1.030 276 S CA 1.452 59.690 58.200 0.062 0.000 1.003 276 S CB -0.261 62.977 63.200 0.063 0.000 0.813 276 S HN 0.539 nan 8.310 nan 0.000 0.477 277 G N 1.382 110.184 108.800 0.004 0.000 2.470 277 G HA2 -0.131 3.829 3.960 0.001 0.000 0.220 277 G HA3 -0.131 3.829 3.960 0.001 0.000 0.220 277 G C 0.974 175.880 174.900 0.011 0.000 1.121 277 G CA 0.891 45.992 45.100 0.002 0.000 0.766 277 G HN 0.531 nan 8.290 nan 0.000 0.553 278 D N 0.411 120.816 120.400 0.009 0.000 2.339 278 D HA 0.033 4.673 4.640 0.001 0.000 0.217 278 D C 1.530 177.872 176.300 0.070 0.000 1.050 278 D CA 1.092 55.110 54.000 0.030 0.000 0.856 278 D CB -0.245 40.564 40.800 0.014 0.000 0.922 278 D HN 0.381 nan 8.370 nan 0.000 0.518 279 T N -0.619 113.982 114.554 0.079 0.000 3.558 279 T HA -0.152 4.198 4.350 0.001 0.000 0.391 279 T C -1.747 173.041 174.700 0.146 0.000 0.766 279 T CA 0.348 62.509 62.100 0.101 0.000 1.951 279 T CB -1.295 67.615 68.868 0.071 0.000 1.743 279 T HN 0.156 nan 8.240 nan 0.000 0.688 280 P HA 0.342 nan 4.420 nan 0.000 0.255 280 P C 0.670 178.203 177.300 0.389 0.000 1.248 280 P CA -0.168 63.094 63.100 0.270 0.000 0.807 280 P CB 0.356 32.210 31.700 0.257 0.000 1.150 281 L N -1.116 120.297 121.223 0.317 0.000 2.491 281 L HA 0.385 4.725 4.340 0.001 0.000 0.264 281 L C 1.927 178.879 176.870 0.135 0.000 1.053 281 L CA -1.095 53.935 54.840 0.316 0.000 0.858 281 L CB 0.512 42.761 42.059 0.317 0.000 1.519 281 L HN -0.299 nan 8.230 nan 0.000 0.508 282 L N -0.676 120.590 121.223 0.073 0.000 2.529 282 L HA 0.211 4.551 4.340 0.001 0.000 0.223 282 L C -0.517 176.128 176.870 -0.376 0.000 1.113 282 L CA 0.395 55.109 54.840 -0.210 0.000 0.861 282 L CB 0.102 41.993 42.059 -0.279 0.000 1.012 282 L HN 0.236 nan 8.230 nan 0.000 0.461 283 F N 0.122 120.120 119.950 0.081 0.000 2.551 283 F HA 0.312 4.839 4.527 0.001 0.000 0.316 283 F C 0.362 176.185 175.800 0.038 0.000 1.089 283 F CA -1.428 56.591 58.000 0.031 0.000 0.915 283 F CB 1.097 40.116 39.000 0.031 0.000 1.186 283 F HN -0.079 nan 8.300 nan 0.000 0.456 284 N N 0.205 119.005 118.700 0.167 0.000 2.405 284 N HA 0.329 5.069 4.740 0.001 0.000 0.269 284 N C 1.179 176.757 175.510 0.114 0.000 1.249 284 N CA -0.228 52.886 53.050 0.108 0.000 0.974 284 N CB 0.017 38.528 38.487 0.040 0.000 1.204 284 N HN 0.645 nan 8.380 nan 0.000 0.565 285 G N -0.931 107.917 108.800 0.080 0.000 2.475 285 G HA2 -0.279 3.681 3.960 0.001 0.000 0.220 285 G HA3 -0.279 3.681 3.960 0.001 0.000 0.220 285 G C 0.635 175.569 174.900 0.056 0.000 1.125 285 G CA 0.857 45.998 45.100 0.070 0.000 0.755 285 G HN 0.668 nan 8.290 nan 0.000 0.565 286 D N 0.173 120.599 120.400 0.043 0.000 2.348 286 D HA 0.126 4.767 4.640 0.001 0.000 0.216 286 D C 2.094 178.414 176.300 0.032 0.000 0.970 286 D CA 1.110 55.126 54.000 0.027 0.000 0.889 286 D CB -0.184 40.620 40.800 0.008 0.000 0.912 286 D HN 0.450 nan 8.370 nan 0.000 0.524 287 G N 0.590 109.429 108.800 0.065 0.000 2.141 287 G HA2 -0.253 3.707 3.960 0.001 0.000 0.231 287 G HA3 -0.253 3.707 3.960 0.001 0.000 0.231 287 G C 0.348 175.321 174.900 0.122 0.000 0.984 287 G CA 0.453 45.591 45.100 0.063 0.000 0.660 287 G HN 0.460 nan 8.290 nan 0.000 0.525 288 S N -0.324 115.439 115.700 0.105 0.000 2.585 288 S HA 0.674 5.145 4.470 0.001 0.000 0.277 288 S C 0.186 174.818 174.600 0.054 0.000 1.241 288 S CA -0.661 57.575 58.200 0.060 0.000 1.041 288 S CB 1.838 65.025 63.200 -0.021 0.000 0.987 288 S HN 0.415 nan 8.310 nan 0.000 0.512 289 K N 1.893 122.231 120.400 -0.102 0.000 2.412 289 K HA 0.152 4.473 4.320 0.001 0.000 0.281 289 K C 0.173 176.628 176.600 -0.242 0.000 1.027 289 K CA 0.044 56.085 56.287 -0.411 0.000 0.989 289 K CB 0.422 32.536 32.500 -0.644 0.000 0.935 289 K HN 0.533 nan 8.250 nan 0.000 0.475 290 K N 0.894 121.150 120.400 -0.240 0.000 2.117 290 K HA 0.169 4.490 4.320 0.001 0.000 0.240 290 K C 1.247 177.803 176.600 -0.074 0.000 1.031 290 K CA -0.237 55.972 56.287 -0.130 0.000 0.909 290 K CB 0.634 33.066 32.500 -0.113 0.000 1.097 290 K HN 0.625 nan 8.250 nan 0.000 0.492 291 A N 0.891 123.689 122.820 -0.038 0.000 1.972 291 A HA -0.183 4.137 4.320 0.001 0.000 0.219 291 A C 2.150 179.729 177.584 -0.008 0.000 1.169 291 A CA 2.140 54.191 52.037 0.024 0.000 0.635 291 A CB -0.944 18.058 19.000 0.003 0.000 0.810 291 A HN 0.764 nan 8.150 nan 0.000 0.446 292 A N -1.428 121.350 122.820 -0.071 0.000 1.933 292 A HA -0.108 4.213 4.320 0.001 0.000 0.218 292 A C 2.063 179.509 177.584 -0.229 0.000 1.175 292 A CA 1.596 53.553 52.037 -0.134 0.000 0.628 292 A CB -0.796 18.084 19.000 -0.200 0.000 0.814 292 A HN 0.748 nan 8.150 nan 0.000 0.444 293 Y N 1.359 121.445 120.300 -0.357 0.000 2.081 293 Y HA -0.254 4.296 4.550 0.001 0.000 0.280 293 Y C 2.614 178.353 175.900 -0.267 0.000 1.163 293 Y CA 2.563 60.414 58.100 -0.416 0.000 1.135 293 Y CB -0.744 37.392 38.460 -0.540 0.000 0.970 293 Y HN 0.308 nan 8.280 nan 0.000 0.498 294 T N 0.675 115.241 114.554 0.019 0.000 2.788 294 T HA -0.173 4.178 4.350 0.001 0.000 0.268 294 T C 2.086 176.741 174.700 -0.075 0.000 1.044 294 T CA 1.321 63.428 62.100 0.012 0.000 1.139 294 T CB -0.748 68.185 68.868 0.108 0.000 0.867 294 T HN 0.515 nan 8.240 nan 0.000 0.454 295 A N 0.936 123.721 122.820 -0.058 0.000 1.902 295 A HA -0.030 4.290 4.320 0.001 0.000 0.217 295 A C 2.571 180.101 177.584 -0.090 0.000 1.181 295 A CA 1.256 53.272 52.037 -0.036 0.000 0.623 295 A CB -0.920 18.081 19.000 0.001 0.000 0.818 295 A HN 0.361 nan 8.150 nan 0.000 0.443 296 V N -0.404 119.397 119.914 -0.188 0.000 2.307 296 V HA -0.210 3.910 4.120 0.001 0.000 0.245 296 V C 2.482 178.405 176.094 -0.284 0.000 1.045 296 V CA 1.885 64.055 62.300 -0.215 0.000 1.024 296 V CB -0.771 30.849 31.823 -0.339 0.000 0.651 296 V HN 0.580 nan 8.190 nan 0.000 0.449 297 L N 0.854 121.816 121.223 -0.435 0.000 2.046 297 L HA -0.152 4.189 4.340 0.001 0.000 0.208 297 L C 2.199 178.964 176.870 -0.175 0.000 1.077 297 L CA 1.983 56.603 54.840 -0.366 0.000 0.747 297 L CB -0.840 40.963 42.059 -0.426 0.000 0.896 297 L HN 0.315 nan 8.230 nan 0.000 0.432 298 N N 0.050 118.676 118.700 -0.123 0.000 2.188 298 N HA -0.113 4.627 4.740 0.001 0.000 0.184 298 N C 1.821 177.304 175.510 -0.045 0.000 1.018 298 N CA 1.431 54.445 53.050 -0.059 0.000 0.858 298 N CB -0.495 37.976 38.487 -0.028 0.000 0.989 298 N HN 0.530 nan 8.380 nan 0.000 0.426 299 A N 1.162 123.952 122.820 -0.049 0.000 1.873 299 A HA -0.024 4.296 4.320 0.001 0.000 0.215 299 A C 2.317 179.888 177.584 -0.022 0.000 1.186 299 A CA 0.876 52.899 52.037 -0.023 0.000 0.616 299 A CB -0.780 18.215 19.000 -0.008 0.000 0.823 299 A HN 0.211 nan 8.150 nan 0.000 0.442 300 L N -0.159 121.041 121.223 -0.038 0.000 2.191 300 L HA -0.148 4.192 4.340 0.001 0.000 0.212 300 L C 1.609 178.465 176.870 -0.024 0.000 1.103 300 L CA 0.861 55.687 54.840 -0.023 0.000 0.769 300 L CB -0.458 41.576 42.059 -0.042 0.000 0.908 300 L HN 0.354 nan 8.230 nan 0.000 0.438 301 N N 0.175 118.853 118.700 -0.036 0.000 2.461 301 N HA 0.090 4.831 4.740 0.001 0.000 0.188 301 N C 0.386 175.886 175.510 -0.016 0.000 1.134 301 N CA 0.741 53.776 53.050 -0.026 0.000 0.878 301 N CB 0.811 39.279 38.487 -0.031 0.000 0.972 301 N HN 0.323 nan 8.380 nan 0.000 0.456 302 G N -0.909 107.883 108.800 -0.014 0.000 2.151 302 G HA2 0.427 4.387 3.960 0.001 0.000 0.183 302 G HA3 0.427 4.387 3.960 0.001 0.000 0.183 302 G C -0.074 174.822 174.900 -0.008 0.000 1.472 302 G CA -0.212 44.883 45.100 -0.009 0.000 1.060 302 G HN 0.380 nan 8.290 nan 0.000 0.641 314 Q N -0.902 118.947 119.800 0.081 0.000 2.260 314 Q HA 0.628 4.969 4.340 0.001 0.000 0.238 314 Q C -0.505 175.548 176.000 0.087 0.000 0.948 314 Q CA -0.180 55.692 55.803 0.115 0.000 0.895 314 Q CB 2.061 30.841 28.738 0.070 0.000 1.218 314 Q HN 0.394 nan 8.270 nan 0.000 0.470 315 I N 1.670 122.282 120.570 0.070 0.000 2.420 315 I HA 0.282 4.452 4.170 0.001 0.000 0.282 315 I C -0.539 175.645 176.117 0.111 0.000 1.019 315 I CA -0.451 60.840 61.300 -0.015 0.000 1.130 315 I CB 1.336 39.151 38.000 -0.307 0.000 1.262 315 I HN 0.339 nan 8.210 nan 0.000 0.454 316 K N 4.694 125.194 120.400 0.167 0.000 2.213 316 K HA 0.538 4.859 4.320 0.001 0.000 0.270 316 K C 0.220 176.945 176.600 0.208 0.000 1.002 316 K CA -0.493 55.900 56.287 0.176 0.000 0.868 316 K CB 1.554 34.104 32.500 0.083 0.000 1.093 316 K HN 0.739 nan 8.250 nan 0.000 0.454 317 G N 2.363 111.243 108.800 0.133 0.000 2.361 317 G HA2 0.095 4.055 3.960 0.001 0.000 0.260 317 G HA3 0.095 4.055 3.960 0.001 0.000 0.260 317 G C 0.961 175.710 174.900 -0.253 0.000 1.261 317 G CA -0.616 44.301 45.100 -0.304 0.000 0.897 317 G HN 0.513 nan 8.290 nan 0.000 0.499 318 V N 3.601 123.315 119.914 -0.333 0.000 2.343 318 V HA -0.128 3.992 4.120 0.001 0.000 0.247 318 V C 2.904 178.881 176.094 -0.196 0.000 1.051 318 V CA 2.485 64.656 62.300 -0.215 0.000 1.036 318 V CB -0.764 30.931 31.823 -0.212 0.000 0.654 318 V HN 0.784 nan 8.190 nan 0.000 0.451 319 G N -0.353 108.293 108.800 -0.257 0.000 2.448 319 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 319 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 319 G C 1.733 176.546 174.900 -0.146 0.000 1.135 319 G CA 1.191 46.177 45.100 -0.190 0.000 0.784 319 G HN 0.649 nan 8.290 nan 0.000 0.543 320 S N -1.492 114.116 115.700 -0.152 0.000 2.499 320 S HA 0.375 4.846 4.470 0.001 0.000 0.225 320 S C 1.891 176.450 174.600 -0.068 0.000 1.050 320 S CA 1.113 59.254 58.200 -0.097 0.000 0.928 320 S CB 0.180 63.331 63.200 -0.082 0.000 0.803 320 S HN 1.436 nan 8.310 nan 0.000 0.506 321 G N 1.535 110.296 108.800 -0.065 0.000 2.148 321 G HA2 -0.248 3.712 3.960 0.001 0.000 0.254 321 G HA3 -0.248 3.712 3.960 0.001 0.000 0.254 321 G C 0.058 174.954 174.900 -0.006 0.000 0.981 321 G CA 0.184 45.263 45.100 -0.034 0.000 0.670 321 G HN 0.607 nan 8.290 nan 0.000 0.528 322 R N -1.179 119.325 120.500 0.007 0.000 2.787 322 R HA 0.674 5.014 4.340 0.001 0.000 0.271 322 R C 0.020 176.384 176.300 0.108 0.000 0.993 322 R CA -0.442 55.685 56.100 0.044 0.000 0.993 322 R CB 1.380 31.695 30.300 0.026 0.000 1.155 322 R HN 0.204 nan 8.270 nan 0.000 0.486 323 c N 1.476 120.152 118.600 0.128 0.000 2.351 323 c HA 0.335 4.905 4.570 0.001 0.000 0.359 323 c C -0.065 174.127 174.090 0.170 0.000 1.193 323 c CA -0.699 55.718 56.329 0.147 0.000 2.270 323 c CB 0.584 43.156 42.510 0.102 0.000 2.369 323 c HN 0.573 nan 8.230 nan 0.000 0.553 324 L N 3.532 124.825 121.223 0.117 0.000 2.418 324 L HA 0.280 4.620 4.340 0.001 0.000 0.274 324 L C 0.087 177.117 176.870 0.267 0.000 1.135 324 L CA 1.165 56.023 54.840 0.030 0.000 0.870 324 L CB -0.230 41.580 42.059 -0.415 0.000 1.154 324 L HN 0.683 nan 8.230 nan 0.000 0.462 325 D N 3.617 124.158 120.400 0.235 0.000 2.819 325 D HA 0.271 4.911 4.640 0.001 0.000 0.232 325 D C -1.454 174.965 176.300 0.198 0.000 1.160 325 D CA -0.467 53.660 54.000 0.211 0.000 0.858 325 D CB 2.429 43.334 40.800 0.174 0.000 1.610 325 D HN 0.220 nan 8.370 nan 0.000 0.481 326 V N 4.297 124.293 119.914 0.136 0.000 2.334 326 V HA 0.263 4.383 4.120 0.001 0.000 0.267 326 V C -2.100 174.049 176.094 0.092 0.000 1.040 326 V CA -1.573 60.808 62.300 0.135 0.000 0.866 326 V CB 0.907 32.799 31.823 0.114 0.000 1.019 326 V HN 0.475 nan 8.190 nan 0.000 0.468 327 P HA -0.073 nan 4.420 nan 0.000 0.257 327 P C 0.504 177.813 177.300 0.015 0.000 1.153 327 P CA 0.738 63.856 63.100 0.030 0.000 0.762 327 P CB 0.003 31.735 31.700 0.053 0.000 0.743 328 N N 2.761 121.440 118.700 -0.036 0.000 2.693 328 N HA -0.292 4.448 4.740 0.001 0.000 0.249 328 N C 0.409 175.918 175.510 -0.001 0.000 1.119 328 N CA 1.368 54.398 53.050 -0.033 0.000 0.717 328 N CB -1.787 36.686 38.487 -0.023 0.000 1.071 328 N HN 0.728 nan 8.380 nan 0.000 0.555 329 A N -1.504 121.342 122.820 0.042 0.000 2.872 329 A HA -0.251 4.069 4.320 0.001 0.000 0.273 329 A C 0.736 178.330 177.584 0.017 0.000 1.442 329 A CA 1.356 53.450 52.037 0.094 0.000 0.801 329 A CB -1.907 17.119 19.000 0.044 0.000 1.031 329 A HN 0.960 nan 8.150 nan 0.000 0.582 330 S N -0.513 115.217 115.700 0.050 0.000 2.572 330 S HA 0.470 4.941 4.470 0.001 0.000 0.279 330 S C 1.458 176.049 174.600 -0.015 0.000 1.341 330 S CA 0.854 59.056 58.200 0.004 0.000 1.043 330 S CB 0.572 63.798 63.200 0.044 0.000 0.887 330 S HN 1.511 nan 8.310 nan 0.000 0.516 331 T N -0.161 114.327 114.554 -0.110 0.000 3.040 331 T HA 0.197 4.548 4.350 0.001 0.000 0.266 331 T C 0.564 175.255 174.700 -0.014 0.000 1.005 331 T CA 0.100 62.119 62.100 -0.135 0.000 0.906 331 T CB -0.589 68.084 68.868 -0.325 0.000 1.082 331 T HN 0.717 nan 8.240 nan 0.000 0.531 332 T N 1.625 116.184 114.554 0.008 0.000 2.901 332 T HA 0.301 4.652 4.350 0.001 0.000 0.301 332 T C -0.443 174.299 174.700 0.071 0.000 1.012 332 T CA -0.721 61.393 62.100 0.024 0.000 1.135 332 T CB 0.460 69.343 68.868 0.025 0.000 0.936 332 T HN 0.046 nan 8.240 nan 0.000 0.539 333 D N 1.761 122.195 120.400 0.057 0.000 2.424 333 D HA 0.411 5.051 4.640 0.001 0.000 0.244 333 D C 1.524 177.940 176.300 0.193 0.000 1.134 333 D CA 1.308 55.386 54.000 0.130 0.000 0.881 333 D CB 0.572 41.381 40.800 0.015 0.000 1.191 333 D HN 1.018 nan 8.370 nan 0.000 0.445 334 G N 1.666 110.619 108.800 0.255 0.000 2.194 334 G HA2 -0.258 3.702 3.960 0.001 0.000 0.236 334 G HA3 -0.258 3.702 3.960 0.001 0.000 0.236 334 G C 0.505 175.493 174.900 0.146 0.000 0.987 334 G CA 0.136 45.351 45.100 0.192 0.000 0.635 334 G HN 0.566 nan 8.290 nan 0.000 0.520 335 T N 1.654 116.297 114.554 0.147 0.000 2.799 335 T HA 0.413 4.763 4.350 0.001 0.000 0.296 335 T C 0.408 175.188 174.700 0.134 0.000 0.947 335 T CA 0.389 62.564 62.100 0.126 0.000 1.141 335 T CB 1.425 70.369 68.868 0.127 0.000 0.891 335 T HN 0.521 nan 8.240 nan 0.000 0.533 336 Q N 3.259 123.126 119.800 0.111 0.000 2.314 336 Q HA 0.380 4.720 4.340 0.001 0.000 0.258 336 Q C 0.200 176.262 176.000 0.104 0.000 0.954 336 Q CA -0.787 55.077 55.803 0.103 0.000 0.890 336 Q CB 0.679 29.469 28.738 0.086 0.000 1.210 336 Q HN 0.653 nan 8.270 nan 0.000 0.410 337 V N 1.527 121.496 119.914 0.093 0.000 3.133 337 V HA 0.409 4.530 4.120 0.001 0.000 0.305 337 V C -0.376 175.764 176.094 0.077 0.000 1.084 337 V CA -0.261 62.095 62.300 0.094 0.000 1.089 337 V CB 1.131 32.985 31.823 0.051 0.000 1.073 337 V HN 1.015 nan 8.190 nan 0.000 0.477 338 Q N 1.890 121.751 119.800 0.101 0.000 2.831 338 Q HA 0.684 5.024 4.340 0.001 0.000 0.322 338 Q C -1.606 174.486 176.000 0.152 0.000 0.923 338 Q CA -1.147 54.728 55.803 0.121 0.000 0.767 338 Q CB 2.173 30.997 28.738 0.144 0.000 1.469 338 Q HN 0.679 nan 8.270 nan 0.000 0.496 339 L N 1.135 122.462 121.223 0.173 0.000 2.309 339 L HA 0.670 5.010 4.340 0.001 0.000 0.282 339 L C -1.297 175.718 176.870 0.243 0.000 1.036 339 L CA -0.806 54.146 54.840 0.187 0.000 0.806 339 L CB 1.170 43.308 42.059 0.133 0.000 1.220 339 L HN 0.664 nan 8.230 nan 0.000 0.429 340 Y N 0.926 121.284 120.300 0.096 0.000 2.624 340 Y HA 0.209 4.760 4.550 0.001 0.000 0.334 340 Y C -0.745 175.221 175.900 0.110 0.000 1.155 340 Y CA -1.149 57.015 58.100 0.107 0.000 1.046 340 Y CB 1.626 40.169 38.460 0.140 0.000 1.316 340 Y HN 0.533 nan 8.280 nan 0.000 0.457 341 D N 2.546 122.763 120.400 -0.305 0.000 2.531 341 D HA 0.003 4.643 4.640 0.001 0.000 0.239 341 D C -0.238 176.227 176.300 0.274 0.000 1.144 341 D CA 0.729 54.711 54.000 -0.030 0.000 0.869 341 D CB 0.384 41.115 40.800 -0.116 0.000 1.160 341 D HN 0.481 nan 8.370 nan 0.000 0.484 342 c N 4.851 123.543 118.600 0.154 0.000 2.648 342 c HA 0.188 4.759 4.570 0.001 0.000 0.419 342 c C 0.626 174.820 174.090 0.173 0.000 1.352 342 c CA -0.225 56.169 56.329 0.107 0.000 1.816 342 c CB -1.059 41.492 42.510 0.067 0.000 2.598 342 c HN 0.640 nan 8.230 nan 0.000 0.598 343 H N -0.755 118.383 119.070 0.113 0.000 3.046 343 H HA 0.295 4.852 4.556 0.001 0.000 0.361 343 H C -0.902 174.462 175.328 0.060 0.000 1.235 343 H CA -0.710 55.389 56.048 0.085 0.000 1.146 343 H CB 0.681 30.504 29.762 0.101 0.000 1.859 343 H HN 0.417 nan 8.280 nan 0.000 0.548 344 S N 0.993 116.778 115.700 0.141 0.000 4.117 344 S HA 0.430 4.900 4.470 0.001 0.000 0.191 344 S C 0.436 175.083 174.600 0.079 0.000 1.308 344 S CA -0.107 58.134 58.200 0.068 0.000 0.906 344 S CB -1.069 62.169 63.200 0.063 0.000 1.565 344 S HN 0.724 nan 8.310 nan 0.000 0.439 345 A N 1.506 124.349 122.820 0.038 0.000 2.356 345 A HA 0.676 4.996 4.320 0.001 0.000 0.323 345 A C 1.372 178.933 177.584 -0.039 0.000 1.119 345 A CA -0.605 51.469 52.037 0.061 0.000 0.790 345 A CB 0.590 19.706 19.000 0.193 0.000 1.273 345 A HN 0.448 nan 8.150 nan 0.000 0.452 346 T N -0.482 114.064 114.554 -0.013 0.000 2.803 346 T HA -0.181 4.169 4.350 0.001 0.000 0.269 346 T C 1.077 175.653 174.700 -0.207 0.000 1.052 346 T CA 1.631 63.694 62.100 -0.061 0.000 1.136 346 T CB -0.546 68.353 68.868 0.051 0.000 0.864 346 T HN 0.776 nan 8.240 nan 0.000 0.467 347 N N 1.120 119.751 118.700 -0.115 0.000 2.521 347 N HA -0.055 4.685 4.740 0.001 0.000 0.188 347 N C 1.237 176.532 175.510 -0.358 0.000 1.146 347 N CA 0.317 53.213 53.050 -0.257 0.000 0.893 347 N CB -0.217 38.291 38.487 0.035 0.000 0.975 347 N HN 0.584 nan 8.380 nan 0.000 0.451 348 Q N -0.435 119.175 119.800 -0.317 0.000 2.164 348 Q HA 0.192 4.532 4.340 0.001 0.000 0.226 348 Q C -0.475 175.392 176.000 -0.221 0.000 0.813 348 Q CA -0.091 55.599 55.803 -0.189 0.000 0.978 348 Q CB 0.797 29.429 28.738 -0.176 0.000 1.149 348 Q HN 0.436 nan 8.270 nan 0.000 0.489 349 Q N 0.340 119.880 119.800 -0.434 0.000 2.368 349 Q HA 0.228 4.569 4.340 0.001 0.000 0.256 349 Q C -1.493 174.208 176.000 -0.499 0.000 0.980 349 Q CA -0.226 55.395 55.803 -0.304 0.000 0.887 349 Q CB 0.859 29.484 28.738 -0.188 0.000 1.221 349 Q HN 0.082 nan 8.270 nan 0.000 0.458 350 W N 1.346 122.571 121.300 -0.124 0.000 2.551 350 W HA 0.457 5.118 4.660 0.001 0.000 0.330 350 W C -0.138 176.346 176.519 -0.057 0.000 1.063 350 W CA -0.564 56.709 57.345 -0.120 0.000 1.222 350 W CB 1.727 31.089 29.460 -0.164 0.000 1.349 350 W HN 0.245 nan 8.180 nan 0.000 0.536 351 T N 2.748 117.415 114.554 0.188 0.000 2.786 351 T HA 0.160 4.511 4.350 0.001 0.000 0.283 351 T C -1.549 173.290 174.700 0.233 0.000 0.992 351 T CA -0.478 61.716 62.100 0.156 0.000 0.954 351 T CB 0.407 69.324 68.868 0.082 0.000 0.934 351 T HN 0.160 nan 8.240 nan 0.000 0.440 352 Y N 4.557 124.896 120.300 0.066 0.000 2.425 352 Y HA 0.402 4.953 4.550 0.001 0.000 0.347 352 Y C 0.934 176.867 175.900 0.055 0.000 0.976 352 Y CA -1.180 56.955 58.100 0.058 0.000 1.190 352 Y CB 0.017 38.498 38.460 0.035 0.000 1.136 352 Y HN 0.728 nan 8.280 nan 0.000 0.517 353 T N 0.914 115.407 114.554 -0.102 0.000 2.824 353 T HA 0.156 4.506 4.350 0.001 0.000 0.277 353 T C 0.821 175.331 174.700 -0.316 0.000 0.975 353 T CA -0.546 61.467 62.100 -0.145 0.000 0.966 353 T CB 0.898 69.734 68.868 -0.052 0.000 1.054 353 T HN 0.539 nan 8.240 nan 0.000 0.533 354 D N 0.457 120.750 120.400 -0.179 0.000 2.219 354 D HA 0.038 4.678 4.640 0.001 0.000 0.205 354 D C 2.170 178.381 176.300 -0.148 0.000 0.970 354 D CA 1.234 55.138 54.000 -0.161 0.000 0.851 354 D CB -0.516 40.242 40.800 -0.069 0.000 0.943 354 D HN 0.736 nan 8.370 nan 0.000 0.488 355 A N -0.295 122.452 122.820 -0.121 0.000 2.119 355 A HA 0.296 4.617 4.320 0.001 0.000 0.217 355 A C 1.781 179.294 177.584 -0.118 0.000 1.153 355 A CA 1.426 53.411 52.037 -0.087 0.000 0.692 355 A CB -0.108 18.858 19.000 -0.056 0.000 0.799 355 A HN 0.275 nan 8.150 nan 0.000 0.458 356 G N -0.837 107.833 108.800 -0.217 0.000 2.138 356 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 356 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 356 G C -0.238 174.728 174.900 0.111 0.000 0.998 356 G CA 0.164 45.156 45.100 -0.180 0.000 0.668 356 G HN 0.600 nan 8.290 nan 0.000 0.516 357 E N -0.685 119.567 120.200 0.087 0.000 2.280 357 E HA 0.708 5.058 4.350 0.001 0.000 0.264 357 E C 0.097 176.920 176.600 0.372 0.000 1.064 357 E CA -0.649 55.912 56.400 0.267 0.000 0.900 357 E CB 1.419 31.209 29.700 0.150 0.000 1.123 357 E HN 0.187 nan 8.360 nan 0.000 0.418 358 L N 2.400 123.841 121.223 0.364 0.000 2.337 358 L HA 0.369 4.709 4.340 0.001 0.000 0.269 358 L C -0.258 176.836 176.870 0.373 0.000 1.018 358 L CA -0.337 54.672 54.840 0.282 0.000 0.876 358 L CB 0.622 42.633 42.059 -0.080 0.000 1.236 358 L HN 0.284 nan 8.230 nan 0.000 0.436 359 R N 1.736 122.405 120.500 0.281 0.000 2.459 359 R HA 0.655 4.995 4.340 0.001 0.000 0.281 359 R C -0.822 175.455 176.300 -0.038 0.000 1.050 359 R CA -0.538 55.655 56.100 0.154 0.000 1.055 359 R CB 2.605 32.958 30.300 0.088 0.000 1.045 359 R HN 0.252 nan 8.270 nan 0.000 0.495 360 V N 3.713 123.459 119.914 -0.281 0.000 2.925 360 V HA 0.232 4.353 4.120 0.001 0.000 0.311 360 V C -1.034 174.760 176.094 -0.499 0.000 1.104 360 V CA -0.479 61.351 62.300 -0.783 0.000 0.954 360 V CB 1.251 32.079 31.823 -1.659 0.000 1.022 360 V HN 0.912 nan 8.190 nan 0.000 0.427 361 Y N 4.099 124.264 120.300 -0.226 0.000 4.604 361 Y HA -0.226 4.325 4.550 0.001 0.000 0.230 361 Y C 1.673 177.526 175.900 -0.078 0.000 1.066 361 Y CA 1.481 59.500 58.100 -0.134 0.000 1.990 361 Y CB -1.953 36.438 38.460 -0.114 0.000 1.619 361 Y HN 1.673 nan 8.280 nan 0.000 0.649 362 G N -0.703 108.113 108.800 0.026 0.000 2.498 362 G HA2 -0.406 3.555 3.960 0.001 0.000 0.229 362 G HA3 -0.406 3.555 3.960 0.001 0.000 0.229 362 G C 0.568 175.499 174.900 0.052 0.000 1.156 362 G CA 0.762 45.883 45.100 0.035 0.000 0.680 362 G HN 0.495 nan 8.290 nan 0.000 0.512 363 D N 0.446 120.893 120.400 0.079 0.000 2.563 363 D HA 0.289 4.929 4.640 0.001 0.000 0.237 363 D C 0.176 176.541 176.300 0.109 0.000 1.282 363 D CA 0.001 54.051 54.000 0.083 0.000 0.816 363 D CB 0.146 40.985 40.800 0.065 0.000 1.066 363 D HN 0.234 nan 8.370 nan 0.000 0.501 364 K N 0.107 120.581 120.400 0.125 0.000 2.221 364 K HA 0.490 4.811 4.320 0.001 0.000 0.258 364 K C -0.730 175.970 176.600 0.166 0.000 0.944 364 K CA -0.545 55.837 56.287 0.159 0.000 0.823 364 K CB 1.821 34.451 32.500 0.216 0.000 1.113 364 K HN -0.021 nan 8.250 nan 0.000 0.431 365 c N 2.141 120.885 118.600 0.240 0.000 2.493 365 c HA 0.380 4.950 4.570 0.001 0.000 0.326 365 c C -0.069 174.231 174.090 0.350 0.000 1.200 365 c CA -0.964 55.537 56.329 0.287 0.000 1.739 365 c CB 1.012 43.677 42.510 0.258 0.000 2.300 365 c HN 0.735 nan 8.230 nan 0.000 0.500 366 L N 3.949 125.387 121.223 0.360 0.000 2.462 366 L HA 0.274 4.614 4.340 0.001 0.000 0.272 366 L C 0.082 177.223 176.870 0.452 0.000 1.166 366 L CA 1.307 56.283 54.840 0.227 0.000 0.880 366 L CB -0.068 41.820 42.059 -0.285 0.000 1.142 366 L HN 0.683 nan 8.230 nan 0.000 0.473 367 D N 4.271 124.897 120.400 0.377 0.000 2.780 367 D HA 0.551 5.191 4.640 0.001 0.000 0.242 367 D C -1.491 174.986 176.300 0.296 0.000 1.135 367 D CA -0.531 53.675 54.000 0.343 0.000 0.859 367 D CB 2.211 43.181 40.800 0.282 0.000 1.530 367 D HN 0.670 nan 8.370 nan 0.000 0.493 368 A N 2.156 125.102 122.820 0.211 0.000 2.271 368 A HA 0.597 4.917 4.320 0.001 0.000 0.317 368 A C 0.555 178.172 177.584 0.055 0.000 1.245 368 A CA -0.249 51.876 52.037 0.146 0.000 0.857 368 A CB 1.259 20.309 19.000 0.085 0.000 1.175 368 A HN 0.569 nan 8.150 nan 0.000 0.512 369 A N 2.145 124.997 122.820 0.054 0.000 2.261 369 A HA 0.521 4.841 4.320 0.001 0.000 0.208 369 A C 1.039 178.630 177.584 0.012 0.000 1.223 369 A CA 1.050 53.098 52.037 0.017 0.000 0.833 369 A CB -0.631 18.386 19.000 0.029 0.000 0.830 369 A HN 2.056 nan 8.150 nan 0.000 0.483 370 G N -2.468 106.340 108.800 0.013 0.000 2.340 370 G HA2 0.366 4.326 3.960 0.001 0.000 0.299 370 G HA3 0.366 4.326 3.960 0.001 0.000 0.299 370 G C 0.091 174.988 174.900 -0.006 0.000 1.291 370 G CA 0.464 45.567 45.100 0.004 0.000 0.841 370 G HN 0.507 nan 8.290 nan 0.000 0.500 371 T N -2.307 112.240 114.554 -0.012 0.000 3.040 371 T HA 0.541 4.891 4.350 0.001 0.000 0.266 371 T C 0.981 175.664 174.700 -0.027 0.000 1.005 371 T CA 0.959 63.043 62.100 -0.026 0.000 0.906 371 T CB 0.721 69.567 68.868 -0.036 0.000 1.082 371 T HN 1.255 nan 8.240 nan 0.000 0.531 372 G N 0.979 109.767 108.800 -0.019 0.000 2.521 372 G HA2 0.516 4.477 3.960 0.001 0.000 0.323 372 G HA3 0.516 4.477 3.960 0.001 0.000 0.323 372 G C -0.467 174.408 174.900 -0.042 0.000 1.211 372 G CA -0.872 44.206 45.100 -0.038 0.000 0.979 372 G HN 0.190 nan 8.290 nan 0.000 0.490 373 N N -0.447 118.187 118.700 -0.110 0.000 2.441 373 N HA 0.255 4.995 4.740 0.001 0.000 0.251 373 N C 1.361 176.892 175.510 0.035 0.000 1.242 373 N CA 1.458 54.410 53.050 -0.163 0.000 0.898 373 N CB 1.161 39.364 38.487 -0.473 0.000 1.100 373 N HN 1.119 nan 8.380 nan 0.000 0.443 374 G N 0.557 109.467 108.800 0.183 0.000 2.205 374 G HA2 -0.299 3.661 3.960 0.001 0.000 0.261 374 G HA3 -0.299 3.661 3.960 0.001 0.000 0.261 374 G C 0.277 175.246 174.900 0.115 0.000 0.980 374 G CA 0.539 45.742 45.100 0.172 0.000 0.632 374 G HN 0.626 nan 8.290 nan 0.000 0.533 375 T N 1.633 116.243 114.554 0.094 0.000 2.908 375 T HA 0.310 4.660 4.350 0.001 0.000 0.301 375 T C 0.698 175.456 174.700 0.097 0.000 1.019 375 T CA 0.855 63.003 62.100 0.080 0.000 1.152 375 T CB 0.974 69.881 68.868 0.065 0.000 0.966 375 T HN 0.576 nan 8.240 nan 0.000 0.540 376 K N 3.304 123.755 120.400 0.085 0.000 2.368 376 K HA 0.245 4.565 4.320 0.001 0.000 0.282 376 K C -0.829 175.832 176.600 0.101 0.000 1.035 376 K CA -0.459 55.881 56.287 0.087 0.000 0.973 376 K CB 0.407 32.953 32.500 0.077 0.000 0.957 376 K HN 0.294 nan 8.250 nan 0.000 0.474 377 V N 5.932 125.902 119.914 0.093 0.000 2.394 377 V HA 0.213 4.333 4.120 0.001 0.000 0.282 377 V C -0.089 176.053 176.094 0.080 0.000 1.031 377 V CA -0.315 62.040 62.300 0.091 0.000 0.881 377 V CB 1.020 32.854 31.823 0.017 0.000 0.982 377 V HN 1.005 nan 8.190 nan 0.000 0.451 378 Q N 5.127 125.000 119.800 0.122 0.000 2.893 378 Q HA 0.742 5.082 4.340 0.001 0.000 0.331 378 Q C -0.933 175.195 176.000 0.213 0.000 0.893 378 Q CA -1.082 54.812 55.803 0.153 0.000 0.783 378 Q CB 2.567 31.402 28.738 0.161 0.000 1.440 378 Q HN 0.647 nan 8.270 nan 0.000 0.508 379 I N -2.011 118.709 120.570 0.249 0.000 2.525 379 I HA 0.805 4.975 4.170 0.001 0.000 0.301 379 I C -1.385 174.948 176.117 0.359 0.000 0.992 379 I CA -0.963 60.516 61.300 0.298 0.000 1.162 379 I CB 1.677 39.840 38.000 0.272 0.000 1.332 379 I HN 0.743 nan 8.210 nan 0.000 0.458 380 Y N 2.412 122.832 120.300 0.200 0.000 2.624 380 Y HA 0.421 4.972 4.550 0.001 0.000 0.334 380 Y C -0.446 175.580 175.900 0.211 0.000 1.155 380 Y CA -0.714 57.502 58.100 0.194 0.000 1.046 380 Y CB 2.056 40.648 38.460 0.221 0.000 1.316 380 Y HN 0.784 nan 8.280 nan 0.000 0.457 381 S N 1.865 117.466 115.700 -0.166 0.000 2.558 381 S HA 0.058 4.529 4.470 0.001 0.000 0.291 381 S C -0.523 174.262 174.600 0.308 0.000 1.306 381 S CA -0.123 58.075 58.200 -0.004 0.000 1.056 381 S CB -0.254 62.837 63.200 -0.182 0.000 0.836 381 S HN 0.611 nan 8.310 nan 0.000 0.504 382 c N 5.199 123.947 118.600 0.247 0.000 2.585 382 c HA 0.295 4.865 4.570 0.001 0.000 0.406 382 c C 1.376 175.667 174.090 0.335 0.000 1.312 382 c CA -0.507 55.973 56.329 0.251 0.000 1.924 382 c CB -0.905 41.696 42.510 0.153 0.000 2.578 382 c HN 1.084 nan 8.230 nan 0.000 0.580 383 W N 1.055 122.434 121.300 0.131 0.000 1.526 383 W HA 0.356 5.016 4.660 0.001 0.000 0.218 383 W C 0.664 177.230 176.519 0.078 0.000 0.797 383 W CA 0.130 57.537 57.345 0.102 0.000 0.997 383 W CB -0.784 28.754 29.460 0.129 0.000 0.926 383 W HN 0.948 nan 8.180 nan 0.000 0.483 384 G N 1.740 110.314 108.800 -0.377 0.000 2.132 384 G HA2 -0.139 3.821 3.960 0.001 0.000 0.234 384 G HA3 -0.139 3.821 3.960 0.001 0.000 0.234 384 G C 0.498 174.942 174.900 -0.761 0.000 0.989 384 G CA -0.057 44.798 45.100 -0.408 0.000 0.676 384 G HN 0.692 nan 8.290 nan 0.000 0.522 385 G N -0.696 107.167 108.800 -1.562 0.000 2.503 385 G HA2 0.456 4.417 3.960 0.001 0.000 0.257 385 G HA3 0.456 4.417 3.960 0.001 0.000 0.257 385 G C 0.621 175.146 174.900 -0.625 0.000 1.214 385 G CA 0.329 44.603 45.100 -1.375 0.000 0.839 385 G HN 0.055 nan 8.290 nan 0.000 0.559 386 D N 0.161 120.330 120.400 -0.385 0.000 2.309 386 D HA -0.134 4.507 4.640 0.001 0.000 0.212 386 D C 2.100 178.183 176.300 -0.362 0.000 0.968 386 D CA 0.824 54.643 54.000 -0.302 0.000 0.882 386 D CB 0.166 40.849 40.800 -0.196 0.000 0.918 386 D HN 0.594 nan 8.370 nan 0.000 0.503 387 N N 0.272 118.780 118.700 -0.319 0.000 2.521 387 N HA -0.120 4.620 4.740 0.001 0.000 0.188 387 N C 0.780 176.076 175.510 -0.357 0.000 1.146 387 N CA 0.328 53.194 53.050 -0.308 0.000 0.893 387 N CB -0.019 38.391 38.487 -0.130 0.000 0.975 387 N HN 0.270 nan 8.380 nan 0.000 0.451 388 Q N -0.449 119.127 119.800 -0.373 0.000 2.159 388 Q HA 0.223 4.564 4.340 0.001 0.000 0.217 388 Q C -0.541 175.287 176.000 -0.287 0.000 0.818 388 Q CA -0.218 55.474 55.803 -0.187 0.000 1.008 388 Q CB 0.869 29.533 28.738 -0.123 0.000 1.148 388 Q HN 0.119 nan 8.270 nan 0.000 0.491 389 K N 0.315 120.360 120.400 -0.592 0.000 2.207 389 K HA 0.437 4.758 4.320 0.001 0.000 0.255 389 K C -1.046 175.104 176.600 -0.749 0.000 0.941 389 K CA -0.096 55.941 56.287 -0.417 0.000 0.825 389 K CB 1.441 33.778 32.500 -0.272 0.000 1.119 389 K HN -0.031 nan 8.250 nan 0.000 0.430 390 W N 0.674 122.010 121.300 0.059 0.000 3.031 390 W HA 0.470 5.131 4.660 0.001 0.000 0.337 390 W C -0.045 176.551 176.519 0.129 0.000 1.187 390 W CA -0.817 56.559 57.345 0.051 0.000 1.166 390 W CB 1.405 30.863 29.460 -0.004 0.000 1.437 390 W HN 0.176 nan 8.180 nan 0.000 0.551 391 R N 2.105 122.769 120.500 0.275 0.000 2.360 391 R HA 0.474 4.814 4.340 0.001 0.000 0.318 391 R C -0.937 175.415 176.300 0.086 0.000 0.950 391 R CA -0.841 55.372 56.100 0.189 0.000 0.837 391 R CB 1.138 31.502 30.300 0.106 0.000 1.165 391 R HN 0.363 nan 8.270 nan 0.000 0.458 392 L N 4.204 125.418 121.223 -0.014 0.000 2.302 392 L HA 0.272 4.613 4.340 0.001 0.000 0.285 392 L C -0.054 176.805 176.870 -0.018 0.000 1.090 392 L CA -0.659 54.103 54.840 -0.131 0.000 0.866 392 L CB 0.155 41.986 42.059 -0.381 0.000 1.244 392 L HN 0.439 nan 8.230 nan 0.000 0.435 393 N N 0.917 119.625 118.700 0.015 0.000 2.482 393 N HA 0.015 4.755 4.740 0.001 0.000 0.260 393 N C 1.275 176.796 175.510 0.018 0.000 1.236 393 N CA 0.014 53.082 53.050 0.030 0.000 0.938 393 N CB 1.488 40.000 38.487 0.041 0.000 1.128 393 N HN 0.539 nan 8.380 nan 0.000 0.448 394 S N -0.031 115.679 115.700 0.016 0.000 2.419 394 S HA -0.194 4.276 4.470 0.001 0.000 0.233 394 S C 0.943 175.547 174.600 0.007 0.000 1.016 394 S CA 1.172 59.377 58.200 0.008 0.000 0.974 394 S CB -0.234 62.969 63.200 0.004 0.000 0.786 394 S HN 0.706 nan 8.310 nan 0.000 0.492 395 D N 0.687 121.094 120.400 0.011 0.000 2.363 395 D HA 0.205 4.845 4.640 0.001 0.000 0.226 395 D C 1.458 177.761 176.300 0.006 0.000 1.020 395 D CA 0.736 54.739 54.000 0.005 0.000 0.892 395 D CB -0.758 40.046 40.800 0.006 0.000 0.900 395 D HN 0.624 nan 8.370 nan 0.000 0.531 396 G N -0.036 108.777 108.800 0.020 0.000 2.194 396 G HA2 -0.271 3.689 3.960 0.001 0.000 0.236 396 G HA3 -0.271 3.689 3.960 0.001 0.000 0.236 396 G C 0.393 175.357 174.900 0.106 0.000 0.987 396 G CA 0.317 45.441 45.100 0.040 0.000 0.635 396 G HN 0.816 nan 8.290 nan 0.000 0.520 397 S N -0.031 115.725 115.700 0.093 0.000 2.592 397 S HA 0.732 5.203 4.470 0.001 0.000 0.271 397 S C 0.062 174.752 174.600 0.149 0.000 1.326 397 S CA -0.459 57.835 58.200 0.156 0.000 1.024 397 S CB 1.829 65.088 63.200 0.099 0.000 0.921 397 S HN 0.622 nan 8.310 nan 0.000 0.527 398 I N 2.148 122.824 120.570 0.177 0.000 2.411 398 I HA 0.339 4.509 4.170 0.001 0.000 0.284 398 I C -1.067 175.147 176.117 0.161 0.000 1.012 398 I CA -0.903 60.425 61.300 0.047 0.000 1.119 398 I CB 1.810 39.659 38.000 -0.252 0.000 1.261 398 I HN 0.413 nan 8.210 nan 0.000 0.448 399 V N 4.834 124.868 119.914 0.199 0.000 2.435 399 V HA 0.524 4.645 4.120 0.001 0.000 0.290 399 V C 0.768 177.002 176.094 0.234 0.000 1.030 399 V CA -0.686 61.734 62.300 0.200 0.000 0.881 399 V CB 1.619 33.497 31.823 0.092 0.000 0.983 399 V HN 0.848 nan 8.190 nan 0.000 0.445 400 G N 2.525 111.395 108.800 0.117 0.000 2.380 400 G HA2 0.379 4.340 3.960 0.001 0.000 0.262 400 G HA3 0.379 4.340 3.960 0.001 0.000 0.262 400 G C 0.890 175.609 174.900 -0.301 0.000 1.243 400 G CA -0.283 44.576 45.100 -0.402 0.000 0.865 400 G HN 0.550 nan 8.290 nan 0.000 0.513 401 V N 1.943 121.624 119.914 -0.388 0.000 2.295 401 V HA -0.239 3.882 4.120 0.001 0.000 0.246 401 V C 2.840 178.811 176.094 -0.205 0.000 1.049 401 V CA 2.372 64.528 62.300 -0.241 0.000 1.024 401 V CB -0.616 31.067 31.823 -0.233 0.000 0.648 401 V HN 0.872 nan 8.190 nan 0.000 0.447 402 Q N 0.241 119.888 119.800 -0.254 0.000 2.046 402 Q HA -0.190 4.150 4.340 0.001 0.000 0.200 402 Q C 2.438 178.359 176.000 -0.131 0.000 0.975 402 Q CA 2.274 57.972 55.803 -0.175 0.000 0.836 402 Q CB -0.086 28.543 28.738 -0.182 0.000 0.896 402 Q HN 0.774 nan 8.270 nan 0.000 0.428 403 S N -1.707 113.905 115.700 -0.147 0.000 2.388 403 S HA 0.127 4.597 4.470 0.001 0.000 0.223 403 S C 1.512 176.070 174.600 -0.070 0.000 1.034 403 S CA 0.860 59.005 58.200 -0.091 0.000 0.963 403 S CB 0.108 63.264 63.200 -0.073 0.000 0.827 403 S HN 0.694 nan 8.310 nan 0.000 0.481 404 G N 0.674 109.431 108.800 -0.072 0.000 2.141 404 G HA2 -0.153 3.807 3.960 0.001 0.000 0.242 404 G HA3 -0.153 3.807 3.960 0.001 0.000 0.242 404 G C -0.225 174.669 174.900 -0.011 0.000 0.982 404 G CA 0.253 45.327 45.100 -0.044 0.000 0.662 404 G HN 0.457 nan 8.290 nan 0.000 0.527 405 L N 0.054 121.281 121.223 0.007 0.000 2.387 405 L HA 0.768 5.108 4.340 0.001 0.000 0.266 405 L C 0.974 177.917 176.870 0.123 0.000 1.059 405 L CA -1.192 53.676 54.840 0.047 0.000 0.801 405 L CB 1.289 43.368 42.059 0.033 0.000 1.223 405 L HN 0.224 nan 8.230 nan 0.000 0.456 406 c N 1.113 119.804 118.600 0.152 0.000 2.365 406 c HA 0.487 5.057 4.570 0.001 0.000 0.349 406 c C 0.412 174.641 174.090 0.231 0.000 1.191 406 c CA -1.099 55.348 56.329 0.196 0.000 2.114 406 c CB 0.965 43.582 42.510 0.178 0.000 2.367 406 c HN 0.512 nan 8.230 nan 0.000 0.530 407 L N 3.183 124.542 121.223 0.227 0.000 2.453 407 L HA 0.226 4.567 4.340 0.001 0.000 0.272 407 L C 0.199 177.283 176.870 0.357 0.000 1.182 407 L CA 0.996 55.942 54.840 0.177 0.000 0.858 407 L CB 0.191 42.170 42.059 -0.132 0.000 1.120 407 L HN 0.698 nan 8.230 nan 0.000 0.474 408 D N 3.112 123.682 120.400 0.283 0.000 2.936 408 D HA 0.322 4.963 4.640 0.001 0.000 0.238 408 D C -0.905 175.493 176.300 0.164 0.000 1.248 408 D CA -0.506 53.617 54.000 0.205 0.000 0.903 408 D CB 2.173 43.067 40.800 0.156 0.000 1.544 408 D HN 0.528 nan 8.370 nan 0.000 0.543 409 A N 3.756 126.641 122.820 0.109 0.000 2.438 409 A HA 0.324 4.644 4.320 0.001 0.000 0.280 409 A C 0.594 178.180 177.584 0.003 0.000 1.160 409 A CA -0.376 51.707 52.037 0.076 0.000 0.821 409 A CB 0.203 19.203 19.000 0.001 0.000 1.101 409 A HN 0.465 nan 8.150 nan 0.000 0.515 410 V N 3.262 123.188 119.914 0.019 0.000 2.644 410 V HA 0.131 4.252 4.120 0.001 0.000 0.303 410 V C 1.744 177.810 176.094 -0.047 0.000 1.058 410 V CA 1.937 64.228 62.300 -0.016 0.000 1.228 410 V CB -0.624 31.209 31.823 0.016 0.000 0.861 410 V HN 1.916 nan 8.190 nan 0.000 0.484 411 G N 4.049 112.793 108.800 -0.094 0.000 2.180 411 G HA2 -0.062 3.898 3.960 0.001 0.000 0.263 411 G HA3 -0.062 3.898 3.960 0.001 0.000 0.263 411 G C 1.146 175.994 174.900 -0.087 0.000 0.989 411 G CA 0.652 45.696 45.100 -0.093 0.000 0.692 411 G HN 2.463 nan 8.290 nan 0.000 0.526 412 G N -1.580 107.163 108.800 -0.095 0.000 2.143 412 G HA2 0.180 4.141 3.960 0.001 0.000 0.248 412 G HA3 0.180 4.141 3.960 0.001 0.000 0.248 412 G C 1.328 176.185 174.900 -0.072 0.000 0.991 412 G CA 0.916 45.960 45.100 -0.093 0.000 0.689 412 G HN 2.141 nan 8.290 nan 0.000 0.522 413 G N -0.653 108.116 108.800 -0.052 0.000 2.491 413 G HA2 0.513 4.474 3.960 0.001 0.000 0.238 413 G HA3 0.513 4.474 3.960 0.001 0.000 0.238 413 G C 1.053 175.929 174.900 -0.040 0.000 1.277 413 G CA 1.069 46.148 45.100 -0.036 0.000 0.851 413 G HN 1.280 nan 8.290 nan 0.000 0.573 414 T N -1.662 112.869 114.554 -0.039 0.000 3.003 414 T HA 0.557 4.907 4.350 0.001 0.000 0.261 414 T C 1.050 175.729 174.700 -0.035 0.000 1.003 414 T CA 0.578 62.651 62.100 -0.045 0.000 0.917 414 T CB 0.327 69.161 68.868 -0.057 0.000 1.084 414 T HN 0.852 nan 8.240 nan 0.000 0.522 415 A N 2.133 124.937 122.820 -0.026 0.000 2.287 415 A HA 0.574 4.894 4.320 0.001 0.000 0.273 415 A C 0.239 177.812 177.584 -0.019 0.000 1.091 415 A CA -0.707 51.311 52.037 -0.032 0.000 0.817 415 A CB 0.048 19.035 19.000 -0.022 0.000 1.069 415 A HN 0.369 nan 8.150 nan 0.000 0.492 416 N N -0.121 118.542 118.700 -0.061 0.000 2.407 416 N HA 0.286 5.026 4.740 0.001 0.000 0.250 416 N C 1.220 176.785 175.510 0.092 0.000 1.236 416 N CA 1.703 54.728 53.050 -0.041 0.000 0.879 416 N CB 0.728 39.082 38.487 -0.222 0.000 1.088 416 N HN 1.293 nan 8.380 nan 0.000 0.450 417 G N 0.587 109.498 108.800 0.186 0.000 2.217 417 G HA2 -0.293 3.667 3.960 0.001 0.000 0.246 417 G HA3 -0.293 3.667 3.960 0.001 0.000 0.246 417 G C 0.228 175.190 174.900 0.103 0.000 0.990 417 G CA 0.438 45.628 45.100 0.150 0.000 0.627 417 G HN 0.637 nan 8.290 nan 0.000 0.522 418 T N 2.422 117.027 114.554 0.085 0.000 2.902 418 T HA 0.456 4.806 4.350 0.001 0.000 0.301 418 T C 0.987 175.736 174.700 0.082 0.000 1.012 418 T CA 0.255 62.394 62.100 0.064 0.000 1.151 418 T CB 0.792 69.687 68.868 0.045 0.000 0.946 418 T HN 0.379 nan 8.240 nan 0.000 0.542 419 L N 3.492 124.757 121.223 0.070 0.000 2.439 419 L HA 0.511 4.852 4.340 0.001 0.000 0.259 419 L C 0.170 177.087 176.870 0.078 0.000 1.129 419 L CA -1.122 53.763 54.840 0.074 0.000 0.803 419 L CB 0.519 42.617 42.059 0.066 0.000 1.161 419 L HN 0.376 nan 8.230 nan 0.000 0.462 420 I N 1.149 121.761 120.570 0.071 0.000 2.441 420 I HA 0.379 4.549 4.170 0.001 0.000 0.295 420 I C -0.134 176.024 176.117 0.068 0.000 0.994 420 I CA -0.324 61.018 61.300 0.070 0.000 1.144 420 I CB 1.546 39.544 38.000 -0.004 0.000 1.314 420 I HN 0.735 nan 8.210 nan 0.000 0.445 421 Q N 5.284 125.143 119.800 0.097 0.000 2.615 421 Q HA 0.709 5.049 4.340 0.001 0.000 0.298 421 Q C -1.765 174.333 176.000 0.162 0.000 1.023 421 Q CA -1.000 54.877 55.803 0.123 0.000 0.768 421 Q CB 2.515 31.336 28.738 0.138 0.000 1.500 421 Q HN 0.444 nan 8.270 nan 0.000 0.441 422 L N 1.228 122.559 121.223 0.180 0.000 2.334 422 L HA 0.621 4.961 4.340 0.001 0.000 0.277 422 L C -1.231 175.782 176.870 0.238 0.000 1.075 422 L CA -0.746 54.210 54.840 0.193 0.000 0.804 422 L CB 0.918 43.064 42.059 0.144 0.000 1.174 422 L HN 0.684 nan 8.230 nan 0.000 0.438 423 Y N 0.216 120.562 120.300 0.077 0.000 2.604 423 Y HA 0.155 4.705 4.550 0.001 0.000 0.331 423 Y C -0.042 175.887 175.900 0.049 0.000 1.158 423 Y CA -0.767 57.366 58.100 0.055 0.000 1.056 423 Y CB 1.815 40.305 38.460 0.050 0.000 1.330 423 Y HN 0.515 nan 8.280 nan 0.000 0.457 424 S N 2.366 117.923 115.700 -0.238 0.000 2.626 424 S HA -0.017 4.454 4.470 0.001 0.000 0.303 424 S C -0.322 174.362 174.600 0.140 0.000 1.256 424 S CA 0.018 58.186 58.200 -0.053 0.000 1.069 424 S CB -0.520 62.610 63.200 -0.118 0.000 0.807 424 S HN 0.597 nan 8.310 nan 0.000 0.500 425 c N 3.881 122.533 118.600 0.087 0.000 2.634 425 c HA 0.282 4.852 4.570 0.001 0.000 0.418 425 c C 1.750 175.887 174.090 0.079 0.000 1.373 425 c CA -0.146 56.238 56.329 0.092 0.000 1.756 425 c CB -0.466 42.082 42.510 0.063 0.000 2.589 425 c HN 1.018 nan 8.230 nan 0.000 0.602 426 S N 0.647 116.390 115.700 0.071 0.000 2.893 426 S HA 0.126 4.597 4.470 0.001 0.000 0.258 426 S C 0.457 175.066 174.600 0.015 0.000 1.034 426 S CA 0.310 58.538 58.200 0.047 0.000 1.167 426 S CB -0.661 62.576 63.200 0.061 0.000 1.137 426 S HN 0.916 nan 8.310 nan 0.000 0.650 427 N N 0.983 119.688 118.700 0.008 0.000 2.815 427 N HA -0.137 4.603 4.740 0.001 0.000 0.247 427 N C 0.357 175.843 175.510 -0.040 0.000 1.030 427 N CA 1.106 54.147 53.050 -0.014 0.000 0.881 427 N CB -1.583 36.897 38.487 -0.011 0.000 1.134 427 N HN 0.846 nan 8.380 nan 0.000 0.582 428 G N -1.109 107.664 108.800 -0.045 0.000 2.606 428 G HA2 0.328 4.289 3.960 0.001 0.000 0.252 428 G HA3 0.328 4.289 3.960 0.001 0.000 0.252 428 G C 1.025 175.850 174.900 -0.125 0.000 1.206 428 G CA 0.131 45.186 45.100 -0.075 0.000 0.861 428 G HN 0.627 nan 8.290 nan 0.000 0.561 429 S N -0.056 115.558 115.700 -0.143 0.000 2.515 429 S HA -0.135 4.335 4.470 0.001 0.000 0.231 429 S C 1.628 176.045 174.600 -0.306 0.000 0.987 429 S CA 0.976 59.055 58.200 -0.202 0.000 0.936 429 S CB -0.197 62.906 63.200 -0.162 0.000 0.766 429 S HN 0.732 nan 8.310 nan 0.000 0.528 430 N N 1.018 119.558 118.700 -0.267 0.000 2.398 430 N HA 0.011 4.751 4.740 0.001 0.000 0.188 430 N C 0.908 176.195 175.510 -0.372 0.000 1.122 430 N CA 0.103 52.961 53.050 -0.320 0.000 0.866 430 N CB -0.245 38.129 38.487 -0.188 0.000 0.970 430 N HN 0.579 nan 8.380 nan 0.000 0.462 431 Q N -0.266 119.330 119.800 -0.339 0.000 2.164 431 Q HA 0.267 4.608 4.340 0.001 0.000 0.226 431 Q C -0.281 175.501 176.000 -0.363 0.000 0.813 431 Q CA -0.189 55.494 55.803 -0.199 0.000 0.978 431 Q CB 1.309 30.034 28.738 -0.022 0.000 1.149 431 Q HN 0.227 nan 8.270 nan 0.000 0.489 432 R N 0.176 120.304 120.500 -0.620 0.000 2.338 432 R HA 0.385 4.725 4.340 0.001 0.000 0.317 432 R C -1.396 174.452 176.300 -0.753 0.000 0.968 432 R CA -0.186 55.627 56.100 -0.478 0.000 0.849 432 R CB 1.010 31.154 30.300 -0.260 0.000 1.128 432 R HN -0.041 nan 8.270 nan 0.000 0.448 433 W N 0.172 121.419 121.300 -0.088 0.000 2.820 433 W HA 0.435 5.096 4.660 0.001 0.000 0.350 433 W C -0.033 176.432 176.519 -0.091 0.000 1.116 433 W CA -0.806 56.476 57.345 -0.105 0.000 1.146 433 W CB 2.015 31.382 29.460 -0.154 0.000 1.433 433 W HN 0.224 nan 8.180 nan 0.000 0.561 434 T N 2.158 116.804 114.554 0.155 0.000 2.949 434 T HA 0.394 4.744 4.350 0.001 0.000 0.300 434 T C -0.569 174.167 174.700 0.059 0.000 0.988 434 T CA -0.749 61.392 62.100 0.068 0.000 0.993 434 T CB 0.265 69.149 68.868 0.025 0.000 0.984 434 T HN 0.352 nan 8.240 nan 0.000 0.442 435 R N 3.137 123.653 120.500 0.027 0.000 2.442 435 R HA 0.488 4.828 4.340 0.001 0.000 0.291 435 R C 0.627 176.942 176.300 0.024 0.000 1.069 435 R CA -0.134 55.973 56.100 0.012 0.000 1.022 435 R CB 0.780 31.074 30.300 -0.011 0.000 0.976 435 R HN 0.790 nan 8.270 nan 0.000 0.443 436 T N 0.000 114.573 114.554 0.032 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.118 62.100 0.031 0.000 1.349 436 T CB 0.000 68.887 68.868 0.032 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658