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 2d1z_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF 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 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 2 E N -0.302 119.890 120.200 -0.013 0.000 2.904 2 E HA 0.131 4.481 4.350 0.001 0.000 0.162 2 E C 0.374 176.961 176.600 -0.020 0.000 0.909 2 E CA 0.539 56.927 56.400 -0.021 0.000 1.368 2 E CB 0.046 29.733 29.700 -0.021 0.000 1.007 2 E HN 0.785 nan 8.360 nan 0.000 0.451 3 S N 0.185 115.880 115.700 -0.008 0.000 2.535 3 S HA 0.055 4.526 4.470 0.001 0.000 0.214 3 S C 0.981 175.601 174.600 0.035 0.000 0.980 3 S CA 0.488 58.695 58.200 0.011 0.000 0.907 3 S CB -0.025 63.181 63.200 0.010 0.000 0.790 3 S HN 0.328 nan 8.310 nan 0.000 0.510 4 T N -1.218 113.337 114.554 0.003 0.000 2.916 4 T HA 0.647 4.997 4.350 0.001 0.000 0.292 4 T C 0.927 175.573 174.700 -0.091 0.000 1.055 4 T CA -0.970 61.131 62.100 0.003 0.000 1.009 4 T CB 1.189 70.044 68.868 -0.021 0.000 1.118 4 T HN 0.015 nan 8.240 nan 0.000 0.497 5 L N 1.138 122.249 121.223 -0.187 0.000 1.989 5 L HA 0.074 4.414 4.340 0.001 0.000 0.211 5 L C 3.024 179.829 176.870 -0.109 0.000 1.071 5 L CA 1.889 56.511 54.840 -0.362 0.000 0.749 5 L CB -1.189 40.444 42.059 -0.711 0.000 0.890 5 L HN 0.980 nan 8.230 nan 0.000 0.431 6 G N -0.288 108.519 108.800 0.011 0.000 2.446 6 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 6 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 6 G C 1.768 176.723 174.900 0.091 0.000 1.168 6 G CA 0.948 46.139 45.100 0.151 0.000 0.771 6 G HN 0.478 nan 8.290 nan 0.000 0.551 7 A N 1.035 123.872 122.820 0.029 0.000 1.933 7 A HA 0.282 4.602 4.320 0.001 0.000 0.218 7 A C 2.807 180.398 177.584 0.011 0.000 1.175 7 A CA 2.250 54.298 52.037 0.018 0.000 0.628 7 A CB -0.728 18.271 19.000 -0.001 0.000 0.814 7 A HN 0.815 nan 8.150 nan 0.000 0.444 8 A N -0.169 122.642 122.820 -0.014 0.000 1.898 8 A HA 0.189 4.509 4.320 0.001 0.000 0.216 8 A C 2.481 180.069 177.584 0.007 0.000 1.181 8 A CA 1.966 53.987 52.037 -0.027 0.000 0.620 8 A CB -0.933 18.017 19.000 -0.083 0.000 0.819 8 A HN 1.026 nan 8.150 nan 0.000 0.442 9 A N -0.169 122.681 122.820 0.050 0.000 1.930 9 A HA 0.218 4.538 4.320 0.001 0.000 0.217 9 A C 2.427 180.051 177.584 0.067 0.000 1.175 9 A CA 1.779 53.871 52.037 0.091 0.000 0.627 9 A CB -0.904 18.219 19.000 0.204 0.000 0.815 9 A HN 1.070 nan 8.150 nan 0.000 0.443 10 A N -0.571 122.292 122.820 0.073 0.000 2.070 10 A HA -0.200 4.121 4.320 0.001 0.000 0.220 10 A C 1.987 179.592 177.584 0.035 0.000 1.159 10 A CA 1.521 53.594 52.037 0.061 0.000 0.656 10 A CB -0.533 18.503 19.000 0.059 0.000 0.800 10 A HN 0.678 nan 8.150 nan 0.000 0.453 11 Q N -0.018 119.796 119.800 0.024 0.000 2.291 11 Q HA -0.112 4.228 4.340 0.001 0.000 0.206 11 Q C 1.661 177.668 176.000 0.011 0.000 0.976 11 Q CA 1.522 57.332 55.803 0.012 0.000 0.875 11 Q CB -0.143 28.597 28.738 0.004 0.000 0.927 11 Q HN 0.803 nan 8.270 nan 0.000 0.450 12 S N -2.046 113.661 115.700 0.013 0.000 2.602 12 S HA 0.385 4.856 4.470 0.001 0.000 0.240 12 S C 1.037 175.642 174.600 0.009 0.000 0.992 12 S CA 0.043 58.247 58.200 0.006 0.000 0.971 12 S CB 0.952 64.152 63.200 -0.001 0.000 0.855 12 S HN 0.429 nan 8.310 nan 0.000 0.481 13 G N 1.441 110.255 108.800 0.022 0.000 2.148 13 G HA2 -0.263 3.697 3.960 0.001 0.000 0.254 13 G HA3 -0.263 3.697 3.960 0.001 0.000 0.254 13 G C 0.093 175.015 174.900 0.037 0.000 0.981 13 G CA 0.135 45.254 45.100 0.032 0.000 0.670 13 G HN 0.622 nan 8.290 nan 0.000 0.528 14 R N -1.036 119.477 120.500 0.023 0.000 2.797 14 R HA 0.714 5.054 4.340 0.001 0.000 0.251 14 R C 0.081 176.419 176.300 0.065 0.000 1.107 14 R CA -0.640 55.443 56.100 -0.027 0.000 1.084 14 R CB 0.826 31.067 30.300 -0.098 0.000 1.205 14 R HN 0.464 nan 8.270 nan 0.000 0.515 15 Y N -1.491 118.857 120.300 0.079 0.000 2.587 15 Y HA 0.681 5.231 4.550 0.001 0.000 0.337 15 Y C -1.182 174.815 175.900 0.161 0.000 1.065 15 Y CA -1.748 56.418 58.100 0.111 0.000 1.126 15 Y CB 1.059 39.560 38.460 0.068 0.000 1.279 15 Y HN 0.421 nan 8.280 nan 0.000 0.489 16 F N 1.475 121.666 119.950 0.401 0.000 2.553 16 F HA 0.768 5.295 4.527 0.001 0.000 0.335 16 F C -0.029 176.092 175.800 0.535 0.000 1.148 16 F CA -0.743 57.489 58.000 0.387 0.000 0.963 16 F CB 1.432 40.585 39.000 0.256 0.000 1.217 16 F HN 0.946 nan 8.300 nan 0.000 0.441 17 G N 2.021 111.024 108.800 0.338 0.000 2.932 17 G HA2 0.638 4.599 3.960 0.001 0.000 0.283 17 G HA3 0.638 4.599 3.960 0.001 0.000 0.283 17 G C -1.316 173.444 174.900 -0.233 0.000 1.336 17 G CA -0.686 44.523 45.100 0.182 0.000 1.056 17 G HN 0.617 nan 8.290 nan 0.000 0.522 18 T N -2.040 112.214 114.554 -0.499 0.000 2.787 18 T HA 0.629 4.979 4.350 0.001 0.000 0.297 18 T C -0.993 173.434 174.700 -0.456 0.000 1.221 18 T CA 0.188 61.872 62.100 -0.694 0.000 1.006 18 T CB 1.353 69.353 68.868 -1.448 0.000 1.328 18 T HN 1.241 nan 8.240 nan 0.000 0.509 19 A N 2.678 125.172 122.820 -0.544 0.000 2.290 19 A HA 0.712 5.032 4.320 0.001 0.000 0.310 19 A C -0.462 176.832 177.584 -0.482 0.000 1.202 19 A CA -0.558 51.046 52.037 -0.722 0.000 0.837 19 A CB 0.071 18.131 19.000 -1.565 0.000 1.139 19 A HN 0.651 nan 8.150 nan 0.000 0.509 20 I N 1.869 122.233 120.570 -0.344 0.000 2.404 20 I HA 0.499 4.670 4.170 0.001 0.000 0.293 20 I C 0.485 176.492 176.117 -0.183 0.000 0.992 20 I CA -0.255 60.920 61.300 -0.208 0.000 1.149 20 I CB 1.389 39.263 38.000 -0.209 0.000 1.315 20 I HN 0.709 nan 8.210 nan 0.000 0.446 21 A N 4.148 126.881 122.820 -0.145 0.000 2.271 21 A HA 0.463 4.784 4.320 0.001 0.000 0.317 21 A C 1.020 178.481 177.584 -0.206 0.000 1.245 21 A CA -0.266 51.662 52.037 -0.182 0.000 0.857 21 A CB 0.775 19.644 19.000 -0.218 0.000 1.175 21 A HN 0.831 nan 8.150 nan 0.000 0.512 22 S N 2.515 118.135 115.700 -0.134 0.000 2.400 22 S HA -0.135 4.335 4.470 0.001 0.000 0.232 22 S C 1.701 176.214 174.600 -0.146 0.000 1.025 22 S CA 1.637 59.768 58.200 -0.116 0.000 0.993 22 S CB -0.591 62.590 63.200 -0.033 0.000 0.808 22 S HN 1.254 nan 8.310 nan 0.000 0.478 23 G N 1.070 109.778 108.800 -0.152 0.000 2.625 23 G HA2 0.020 3.981 3.960 0.001 0.000 0.214 23 G HA3 0.020 3.981 3.960 0.001 0.000 0.214 23 G C 1.296 176.053 174.900 -0.239 0.000 1.132 23 G CA 0.210 45.217 45.100 -0.155 0.000 0.782 23 G HN 0.612 nan 8.290 nan 0.000 0.538 24 K N -0.399 119.769 120.400 -0.386 0.000 2.358 24 K HA 0.336 4.657 4.320 0.001 0.000 0.200 24 K C 1.686 178.009 176.600 -0.462 0.000 1.030 24 K CA -0.331 55.590 56.287 -0.609 0.000 1.097 24 K CB 0.356 32.059 32.500 -1.327 0.000 0.862 24 K HN 0.209 nan 8.250 nan 0.000 0.534 25 L N 0.365 121.408 121.223 -0.299 0.000 2.456 25 L HA -0.045 4.296 4.340 0.001 0.000 0.224 25 L C 1.821 178.640 176.870 -0.086 0.000 1.148 25 L CA 0.908 55.618 54.840 -0.217 0.000 0.825 25 L CB -0.182 41.722 42.059 -0.258 0.000 0.937 25 L HN 0.272 nan 8.230 nan 0.000 0.450 26 G N -1.794 106.954 108.800 -0.086 0.000 3.088 26 G HA2 -0.094 3.866 3.960 0.001 0.000 0.217 26 G HA3 -0.094 3.866 3.960 0.001 0.000 0.217 26 G C 0.124 175.009 174.900 -0.025 0.000 1.159 26 G CA -0.196 44.884 45.100 -0.034 0.000 0.760 26 G HN 0.120 nan 8.290 nan 0.000 0.550 27 D N 0.636 121.012 120.400 -0.040 0.000 2.428 27 D HA 0.234 4.874 4.640 0.001 0.000 0.221 27 D C 1.452 177.789 176.300 0.061 0.000 1.123 27 D CA -0.201 53.793 54.000 -0.010 0.000 0.869 27 D CB 1.333 42.095 40.800 -0.064 0.000 1.032 27 D HN -0.035 nan 8.370 nan 0.000 0.506 28 S N 3.162 118.892 115.700 0.049 0.000 2.383 28 S HA -0.217 4.253 4.470 0.001 0.000 0.229 28 S C 1.918 176.553 174.600 0.058 0.000 1.030 28 S CA 1.626 59.861 58.200 0.059 0.000 1.002 28 S CB -0.013 63.210 63.200 0.039 0.000 0.829 28 S HN 0.589 nan 8.310 nan 0.000 0.467 29 A N -0.129 122.721 122.820 0.050 0.000 1.933 29 A HA -0.043 4.278 4.320 0.001 0.000 0.218 29 A C 2.007 179.616 177.584 0.043 0.000 1.175 29 A CA 1.635 53.691 52.037 0.033 0.000 0.628 29 A CB -1.125 17.893 19.000 0.029 0.000 0.814 29 A HN 0.767 nan 8.150 nan 0.000 0.444 30 Y N 1.717 121.978 120.300 -0.065 0.000 2.133 30 Y HA -0.228 4.322 4.550 0.001 0.000 0.287 30 Y C 2.927 178.782 175.900 -0.074 0.000 1.134 30 Y CA 2.737 60.782 58.100 -0.092 0.000 1.133 30 Y CB -0.636 37.755 38.460 -0.114 0.000 0.987 30 Y HN 0.428 nan 8.280 nan 0.000 0.502 31 T N -3.581 111.037 114.554 0.106 0.000 2.915 31 T HA -0.142 4.209 4.350 0.001 0.000 0.269 31 T C 1.778 176.547 174.700 0.115 0.000 1.071 31 T CA 1.643 63.810 62.100 0.111 0.000 1.132 31 T CB -0.991 68.028 68.868 0.253 0.000 0.878 31 T HN 0.340 nan 8.240 nan 0.000 0.479 32 T N 2.123 116.702 114.554 0.040 0.000 2.708 32 T HA 0.097 4.447 4.350 0.001 0.000 0.266 32 T C 1.873 176.532 174.700 -0.068 0.000 1.037 32 T CA 1.366 63.468 62.100 0.003 0.000 1.146 32 T CB -0.398 68.460 68.868 -0.015 0.000 0.865 32 T HN 0.424 nan 8.240 nan 0.000 0.435 33 I N 1.140 121.609 120.570 -0.168 0.000 2.233 33 I HA -0.107 4.064 4.170 0.001 0.000 0.243 33 I C 2.951 178.931 176.117 -0.228 0.000 1.093 33 I CA 1.023 62.124 61.300 -0.331 0.000 1.380 33 I CB -0.526 37.109 38.000 -0.609 0.000 1.067 33 I HN 0.168 nan 8.210 nan 0.000 0.413 34 A N -0.116 122.620 122.820 -0.140 0.000 1.908 34 A HA -0.258 4.063 4.320 0.001 0.000 0.218 34 A C 2.505 180.300 177.584 0.351 0.000 1.181 34 A CA 2.401 54.529 52.037 0.151 0.000 0.627 34 A CB -0.861 18.044 19.000 -0.158 0.000 0.818 34 A HN 0.396 nan 8.150 nan 0.000 0.445 35 S N -1.078 114.801 115.700 0.299 0.000 2.383 35 S HA -0.153 4.317 4.470 0.001 0.000 0.227 35 S C 2.206 176.813 174.600 0.012 0.000 1.026 35 S CA 1.372 59.653 58.200 0.134 0.000 0.981 35 S CB -0.349 62.888 63.200 0.060 0.000 0.818 35 S HN 0.627 nan 8.310 nan 0.000 0.472 36 R N 0.320 120.805 120.500 -0.025 0.000 2.073 36 R HA 0.019 4.359 4.340 0.001 0.000 0.229 36 R C 1.667 177.898 176.300 -0.115 0.000 1.120 36 R CA 1.466 57.524 56.100 -0.070 0.000 0.967 36 R CB -0.105 30.146 30.300 -0.082 0.000 0.862 36 R HN 0.349 nan 8.270 nan 0.000 0.436 37 E N -0.520 119.531 120.200 -0.248 0.000 2.340 37 E HA 0.034 4.384 4.350 0.001 0.000 0.194 37 E C -0.330 175.924 176.600 -0.578 0.000 0.996 37 E CA 0.399 56.510 56.400 -0.483 0.000 0.869 37 E CB 0.345 29.571 29.700 -0.791 0.000 0.835 37 E HN 0.139 nan 8.360 nan 0.000 0.493 38 F N 1.571 121.599 119.950 0.131 0.000 2.532 38 F HA 0.246 4.774 4.527 0.001 0.000 0.321 38 F C 0.839 176.702 175.800 0.106 0.000 1.089 38 F CA -1.247 56.858 58.000 0.174 0.000 0.926 38 F CB 1.019 40.126 39.000 0.179 0.000 1.168 38 F HN -0.188 nan 8.300 nan 0.000 0.459 39 N N 0.938 119.823 118.700 0.308 0.000 2.282 39 N HA 0.266 5.006 4.740 0.001 0.000 0.240 39 N C -0.680 174.883 175.510 0.089 0.000 1.182 39 N CA 0.046 53.188 53.050 0.153 0.000 0.874 39 N CB 0.619 39.182 38.487 0.127 0.000 1.126 39 N HN 0.377 nan 8.380 nan 0.000 0.516 40 M N 0.790 120.449 119.600 0.098 0.000 2.371 40 M HA 0.416 4.897 4.480 0.001 0.000 0.287 40 M C -1.830 174.429 176.300 -0.068 0.000 1.149 40 M CA -0.599 54.639 55.300 -0.104 0.000 0.929 40 M CB 2.708 35.080 32.600 -0.381 0.000 1.683 40 M HN -0.187 nan 8.290 nan 0.000 0.470 41 V N 2.173 122.018 119.914 -0.114 0.000 2.789 41 V HA 0.729 4.849 4.120 0.001 0.000 0.311 41 V C -0.419 175.589 176.094 -0.143 0.000 1.073 41 V CA -0.466 61.781 62.300 -0.088 0.000 0.921 41 V CB 2.594 34.436 31.823 0.031 0.000 1.009 41 V HN 0.908 nan 8.190 nan 0.000 0.426 42 T N 3.305 117.760 114.554 -0.164 0.000 2.848 42 T HA 0.642 4.993 4.350 0.001 0.000 0.285 42 T C -0.050 174.549 174.700 -0.169 0.000 0.995 42 T CA -0.283 61.721 62.100 -0.160 0.000 0.970 42 T CB 1.648 70.443 68.868 -0.121 0.000 0.976 42 T HN 0.953 nan 8.240 nan 0.000 0.441 43 A N 2.086 124.854 122.820 -0.086 0.000 2.454 43 A HA 0.273 4.594 4.320 0.001 0.000 0.260 43 A C 1.377 178.942 177.584 -0.031 0.000 1.106 43 A CA -0.314 51.696 52.037 -0.045 0.000 0.780 43 A CB -0.012 19.011 19.000 0.040 0.000 1.044 43 A HN 1.063 nan 8.150 nan 0.000 0.498 44 E N 2.149 122.256 120.200 -0.156 0.000 2.110 44 E HA -0.180 4.170 4.350 0.001 0.000 0.193 44 E C 0.694 177.378 176.600 0.139 0.000 0.988 44 E CA 1.775 58.072 56.400 -0.172 0.000 0.804 44 E CB 0.075 29.569 29.700 -0.343 0.000 0.745 44 E HN 0.809 nan 8.360 nan 0.000 0.458 45 N N -1.243 117.527 118.700 0.117 0.000 1.952 45 N HA -0.017 4.724 4.740 0.001 0.000 0.231 45 N C 0.618 176.226 175.510 0.164 0.000 1.378 45 N CA 0.163 53.314 53.050 0.169 0.000 0.828 45 N CB 0.398 38.958 38.487 0.123 0.000 1.097 45 N HN -0.014 nan 8.380 nan 0.000 0.476 46 E N 0.738 121.020 120.200 0.137 0.000 2.401 46 E HA 0.071 4.421 4.350 0.001 0.000 0.199 46 E C 1.121 177.860 176.600 0.232 0.000 1.023 46 E CA 0.928 57.424 56.400 0.159 0.000 0.859 46 E CB -0.015 29.767 29.700 0.137 0.000 0.780 46 E HN 0.353 nan 8.360 nan 0.000 0.523 47 M N -0.278 119.474 119.600 0.254 0.000 2.412 47 M HA 0.161 4.641 4.480 0.001 0.000 0.315 47 M C -0.019 176.502 176.300 0.369 0.000 1.092 47 M CA -0.104 55.405 55.300 0.349 0.000 0.974 47 M CB 0.672 33.455 32.600 0.305 0.000 1.437 47 M HN -0.156 nan 8.290 nan 0.000 0.524 48 K N 0.543 121.119 120.400 0.293 0.000 2.118 48 K HA 0.285 4.606 4.320 0.001 0.000 0.240 48 K C 1.121 177.921 176.600 0.334 0.000 1.035 48 K CA -0.273 56.195 56.287 0.302 0.000 0.899 48 K CB 1.217 33.892 32.500 0.292 0.000 1.085 48 K HN 0.064 nan 8.250 nan 0.000 0.498 49 I N 1.270 122.008 120.570 0.279 0.000 2.127 49 I HA -0.323 3.848 4.170 0.001 0.000 0.241 49 I C 2.079 178.252 176.117 0.094 0.000 1.075 49 I CA 1.527 62.875 61.300 0.081 0.000 1.334 49 I CB -0.528 37.298 38.000 -0.290 0.000 1.040 49 I HN 0.746 nan 8.210 nan 0.000 0.405 50 D N 1.806 122.220 120.400 0.024 0.000 2.178 50 D HA -0.172 4.469 4.640 0.001 0.000 0.201 50 D C 1.967 178.318 176.300 0.085 0.000 0.980 50 D CA 1.538 55.553 54.000 0.025 0.000 0.842 50 D CB -0.250 40.529 40.800 -0.036 0.000 0.948 50 D HN 0.371 nan 8.370 nan 0.000 0.472 51 A N 0.533 123.424 122.820 0.119 0.000 1.970 51 A HA -0.025 4.296 4.320 0.001 0.000 0.216 51 A C 2.322 179.967 177.584 0.101 0.000 1.170 51 A CA 1.914 54.019 52.037 0.113 0.000 0.645 51 A CB -0.644 18.442 19.000 0.143 0.000 0.816 51 A HN 0.453 nan 8.150 nan 0.000 0.447 52 T N -3.738 110.918 114.554 0.170 0.000 3.037 52 T HA 0.199 4.550 4.350 0.001 0.000 0.252 52 T C 0.646 175.389 174.700 0.072 0.000 1.073 52 T CA 0.758 62.905 62.100 0.079 0.000 1.091 52 T CB 0.139 69.174 68.868 0.278 0.000 0.935 52 T HN 0.388 nan 8.240 nan 0.000 0.488 53 E N 1.911 122.226 120.200 0.191 0.000 3.666 53 E HA 0.226 4.576 4.350 0.001 0.000 0.230 53 E C -2.035 174.662 176.600 0.162 0.000 1.235 53 E CA -2.049 54.374 56.400 0.038 0.000 1.096 53 E CB 1.420 31.228 29.700 0.179 0.000 1.287 53 E HN 0.151 nan 8.360 nan 0.000 0.406 54 P HA -0.172 nan 4.420 nan 0.000 0.216 54 P C -0.017 177.369 177.300 0.143 0.000 1.150 54 P CA 1.121 64.290 63.100 0.115 0.000 0.843 54 P CB 0.446 32.157 31.700 0.019 0.000 0.787 55 Q N -1.176 118.550 119.800 -0.123 0.000 2.365 55 Q HA 0.394 4.735 4.340 0.001 0.000 0.269 55 Q C -0.239 175.235 176.000 -0.876 0.000 1.061 55 Q CA -0.783 54.770 55.803 -0.418 0.000 0.816 55 Q CB 1.678 30.242 28.738 -0.290 0.000 1.325 55 Q HN -0.084 nan 8.270 nan 0.000 0.446 56 R N 0.862 120.405 120.500 -1.594 0.000 2.488 56 R HA 0.160 4.500 4.340 0.001 0.000 0.317 56 R C 0.566 176.355 176.300 -0.852 0.000 0.941 56 R CA 1.663 56.728 56.100 -1.725 0.000 1.076 56 R CB -0.551 28.882 30.300 -1.445 0.000 0.917 56 R HN 0.927 nan 8.270 nan 0.000 0.407 57 G N 3.087 111.435 108.800 -0.753 0.000 2.179 57 G HA2 -0.238 3.722 3.960 0.001 0.000 0.260 57 G HA3 -0.238 3.722 3.960 0.001 0.000 0.260 57 G C -0.244 174.361 174.900 -0.493 0.000 0.977 57 G CA -0.002 44.794 45.100 -0.507 0.000 0.641 57 G HN 0.571 nan 8.290 nan 0.000 0.533 58 Q N 0.309 119.769 119.800 -0.567 0.000 2.466 58 Q HA 0.571 4.912 4.340 0.001 0.000 0.242 58 Q C -0.440 175.308 176.000 -0.420 0.000 1.046 58 Q CA -0.365 55.219 55.803 -0.366 0.000 0.841 58 Q CB 0.362 28.941 28.738 -0.266 0.000 1.193 58 Q HN 0.327 nan 8.270 nan 0.000 0.508 59 F N 1.724 121.575 119.950 -0.165 0.000 2.384 59 F HA 0.297 4.825 4.527 0.001 0.000 0.338 59 F C 1.068 176.593 175.800 -0.459 0.000 1.103 59 F CA -0.295 57.500 58.000 -0.343 0.000 1.157 59 F CB 0.891 39.694 39.000 -0.329 0.000 1.167 59 F HN 0.267 nan 8.300 nan 0.000 0.529 60 N N 3.060 121.477 118.700 -0.472 0.000 2.430 60 N HA 0.243 4.983 4.740 0.001 0.000 0.290 60 N C -1.141 174.044 175.510 -0.543 0.000 1.063 60 N CA -0.312 52.519 53.050 -0.364 0.000 0.883 60 N CB 0.840 39.237 38.487 -0.150 0.000 1.465 60 N HN 0.404 nan 8.380 nan 0.000 0.493 61 F N 1.377 121.304 119.950 -0.038 0.000 2.698 61 F HA 0.264 4.792 4.527 0.001 0.000 0.304 61 F C 2.078 177.926 175.800 0.080 0.000 1.108 61 F CA -0.311 57.670 58.000 -0.031 0.000 1.263 61 F CB 0.284 39.039 39.000 -0.408 0.000 1.013 61 F HN 0.429 nan 8.300 nan 0.000 0.532 62 S N 0.910 116.716 115.700 0.175 0.000 2.353 62 S HA -0.208 4.263 4.470 0.001 0.000 0.222 62 S C 2.445 177.152 174.600 0.179 0.000 1.035 62 S CA 1.781 60.078 58.200 0.162 0.000 1.025 62 S CB -0.195 63.064 63.200 0.098 0.000 0.902 62 S HN 0.378 nan 8.310 nan 0.000 0.440 63 A N 0.713 123.628 122.820 0.159 0.000 1.872 63 A HA 0.200 4.521 4.320 0.001 0.000 0.214 63 A C 2.381 180.093 177.584 0.214 0.000 1.187 63 A CA 1.676 53.803 52.037 0.150 0.000 0.614 63 A CB -1.641 17.427 19.000 0.113 0.000 0.826 63 A HN 0.628 nan 8.150 nan 0.000 0.442 64 G N -0.086 108.894 108.800 0.299 0.000 2.440 64 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 64 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 64 G C 1.094 176.271 174.900 0.460 0.000 1.154 64 G CA 1.301 46.640 45.100 0.398 0.000 0.767 64 G HN 0.449 nan 8.290 nan 0.000 0.552 65 D N -0.232 120.464 120.400 0.493 0.000 2.178 65 D HA -0.036 4.604 4.640 0.001 0.000 0.202 65 D C 2.376 178.902 176.300 0.378 0.000 0.974 65 D CA 0.473 54.767 54.000 0.491 0.000 0.841 65 D CB -0.170 40.875 40.800 0.408 0.000 0.953 65 D HN 0.325 nan 8.370 nan 0.000 0.478 66 R N 0.479 121.147 120.500 0.279 0.000 2.081 66 R HA -0.087 4.254 4.340 0.001 0.000 0.235 66 R C 1.954 178.392 176.300 0.230 0.000 1.131 66 R CA 0.921 57.152 56.100 0.218 0.000 0.960 66 R CB -0.108 30.282 30.300 0.150 0.000 0.856 66 R HN 0.003 nan 8.270 nan 0.000 0.436 67 V N 0.112 120.154 119.914 0.214 0.000 2.379 67 V HA -0.223 3.897 4.120 0.001 0.000 0.245 67 V C 1.933 178.167 176.094 0.233 0.000 1.044 67 V CA 1.752 64.164 62.300 0.186 0.000 1.036 67 V CB -0.728 31.161 31.823 0.111 0.000 0.664 67 V HN 0.399 nan 8.190 nan 0.000 0.453 68 Y N 2.059 122.446 120.300 0.144 0.000 2.128 68 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 68 Y C 2.520 178.495 175.900 0.126 0.000 1.154 68 Y CA 2.106 60.267 58.100 0.101 0.000 1.149 68 Y CB -0.424 38.121 38.460 0.143 0.000 0.976 68 Y HN 0.275 nan 8.280 nan 0.000 0.505 69 N N -0.387 118.373 118.700 0.099 0.000 2.120 69 N HA -0.239 4.501 4.740 0.001 0.000 0.188 69 N C 1.601 177.091 175.510 -0.033 0.000 1.024 69 N CA 1.624 54.667 53.050 -0.012 0.000 0.852 69 N CB -1.181 37.400 38.487 0.156 0.000 1.003 69 N HN 0.655 nan 8.380 nan 0.000 0.424 70 W N 2.083 123.343 121.300 -0.065 0.000 2.358 70 W HA -0.099 4.562 4.660 0.001 0.000 0.303 70 W C 2.361 178.817 176.519 -0.105 0.000 1.208 70 W CA 2.252 59.564 57.345 -0.056 0.000 1.274 70 W CB -0.347 29.106 29.460 -0.012 0.000 1.138 70 W HN 0.088 nan 8.180 nan 0.000 0.515 71 A N -0.170 122.676 122.820 0.045 0.000 1.845 71 A HA -0.213 4.107 4.320 0.001 0.000 0.215 71 A C 2.016 179.396 177.584 -0.339 0.000 1.195 71 A CA 2.674 54.628 52.037 -0.138 0.000 0.616 71 A CB -1.341 17.622 19.000 -0.061 0.000 0.832 71 A HN 0.166 nan 8.150 nan 0.000 0.443 72 V N 0.227 119.891 119.914 -0.418 0.000 2.343 72 V HA -0.249 3.871 4.120 0.001 0.000 0.247 72 V C 2.621 178.540 176.094 -0.291 0.000 1.051 72 V CA 1.969 64.047 62.300 -0.371 0.000 1.036 72 V CB -0.826 30.707 31.823 -0.482 0.000 0.654 72 V HN 0.546 nan 8.190 nan 0.000 0.451 73 Q N 0.092 119.712 119.800 -0.300 0.000 2.291 73 Q HA -0.121 4.220 4.340 0.001 0.000 0.205 73 Q C 1.347 177.154 176.000 -0.323 0.000 0.970 73 Q CA 1.165 56.815 55.803 -0.255 0.000 0.876 73 Q CB -0.429 28.183 28.738 -0.210 0.000 0.935 73 Q HN 0.708 nan 8.270 nan 0.000 0.455 74 N N -0.865 117.548 118.700 -0.478 0.000 2.251 74 N HA 0.202 4.943 4.740 0.001 0.000 0.217 74 N C 0.186 175.492 175.510 -0.341 0.000 1.124 74 N CA 0.515 53.259 53.050 -0.510 0.000 0.843 74 N CB 1.130 39.046 38.487 -0.953 0.000 1.024 74 N HN 0.264 nan 8.380 nan 0.000 0.501 75 G N 0.573 109.218 108.800 -0.258 0.000 2.182 75 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 75 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 75 G C -0.343 174.476 174.900 -0.134 0.000 1.042 75 G CA 0.077 45.078 45.100 -0.166 0.000 0.775 75 G HN 0.253 nan 8.290 nan 0.000 0.501 76 K N 0.016 120.316 120.400 -0.166 0.000 2.259 76 K HA 0.626 4.946 4.320 0.001 0.000 0.249 76 K C 0.599 177.124 176.600 -0.126 0.000 0.942 76 K CA -0.670 55.552 56.287 -0.108 0.000 0.816 76 K CB 1.599 34.056 32.500 -0.072 0.000 1.155 76 K HN 0.337 nan 8.250 nan 0.000 0.428 77 Q N 0.427 120.158 119.800 -0.114 0.000 2.316 77 Q HA 0.475 4.816 4.340 0.001 0.000 0.215 77 Q C -0.599 175.302 176.000 -0.165 0.000 1.020 77 Q CA -0.762 54.961 55.803 -0.133 0.000 0.970 77 Q CB 1.135 29.785 28.738 -0.147 0.000 1.187 77 Q HN 0.227 nan 8.270 nan 0.000 0.546 78 V N 0.783 120.598 119.914 -0.164 0.000 2.789 78 V HA 0.418 4.539 4.120 0.001 0.000 0.311 78 V C -0.757 175.166 176.094 -0.284 0.000 1.073 78 V CA -0.812 61.374 62.300 -0.191 0.000 0.921 78 V CB 2.053 33.816 31.823 -0.100 0.000 1.009 78 V HN 0.638 nan 8.190 nan 0.000 0.426 79 R N 2.167 122.482 120.500 -0.309 0.000 2.295 79 R HA 0.573 4.913 4.340 0.001 0.000 0.324 79 R C 0.278 176.302 176.300 -0.459 0.000 0.968 79 R CA -0.486 55.410 56.100 -0.340 0.000 0.837 79 R CB 1.902 32.067 30.300 -0.225 0.000 1.133 79 R HN 0.917 nan 8.270 nan 0.000 0.450 80 G N 1.391 109.671 108.800 -0.868 0.000 2.403 80 G HA2 0.155 4.116 3.960 0.001 0.000 0.259 80 G HA3 0.155 4.116 3.960 0.001 0.000 0.259 80 G C -0.867 173.869 174.900 -0.273 0.000 1.244 80 G CA 0.114 44.388 45.100 -1.376 0.000 0.849 80 G HN 0.659 nan 8.290 nan 0.000 0.532 81 H N -0.175 118.853 119.070 -0.070 0.000 3.149 81 H HA 0.530 5.086 4.556 0.001 0.000 0.334 81 H C -0.859 174.574 175.328 0.175 0.000 1.000 81 H CA -0.330 55.762 56.048 0.074 0.000 1.415 81 H CB 1.521 31.286 29.762 0.006 0.000 1.819 81 H HN 0.513 nan 8.280 nan 0.000 0.486 82 T N 5.885 120.409 114.554 -0.050 0.000 2.933 82 T HA 0.224 4.575 4.350 0.001 0.000 0.305 82 T C 1.122 175.887 174.700 0.108 0.000 1.092 82 T CA -0.758 61.249 62.100 -0.155 0.000 1.008 82 T CB 1.490 69.821 68.868 -0.895 0.000 1.102 82 T HN 0.547 nan 8.240 nan 0.000 0.469 83 L N 1.122 122.421 121.223 0.127 0.000 2.131 83 L HA 0.392 4.732 4.340 0.001 0.000 0.206 83 L C 1.140 178.172 176.870 0.269 0.000 1.087 83 L CA 0.596 55.523 54.840 0.145 0.000 0.767 83 L CB -0.050 41.946 42.059 -0.105 0.000 0.917 83 L HN 0.682 nan 8.230 nan 0.000 0.441 84 A N -0.207 122.766 122.820 0.255 0.000 2.476 84 A HA 0.556 4.876 4.320 0.001 0.000 0.280 84 A C -1.668 176.268 177.584 0.587 0.000 1.081 84 A CA -0.510 51.757 52.037 0.383 0.000 0.753 84 A CB 0.700 19.922 19.000 0.371 0.000 1.248 84 A HN 0.246 nan 8.150 nan 0.000 0.424 85 W N 2.929 124.309 121.300 0.134 0.000 2.989 85 W HA 0.376 5.036 4.660 0.001 0.000 0.344 85 W C 0.210 176.728 176.519 -0.002 0.000 1.233 85 W CA -0.232 57.218 57.345 0.175 0.000 1.187 85 W CB -0.060 29.465 29.460 0.109 0.000 1.443 85 W HN 0.852 nan 8.180 nan 0.000 0.573 86 H N 0.153 119.162 119.070 -0.103 0.000 2.428 86 H HA 0.046 4.602 4.556 0.001 0.000 0.296 86 H C 0.391 175.354 175.328 -0.610 0.000 1.062 86 H CA 1.413 57.261 56.048 -0.333 0.000 1.350 86 H CB -0.587 29.076 29.762 -0.166 0.000 1.403 86 H HN 0.209 nan 8.280 nan 0.000 0.533 87 S N 0.230 114.793 115.700 -1.894 0.000 2.632 87 S HA 0.104 4.575 4.470 0.001 0.000 0.271 87 S C 0.185 173.855 174.600 -1.551 0.000 1.260 87 S CA -0.175 56.992 58.200 -1.721 0.000 1.010 87 S CB 0.440 62.572 63.200 -1.779 0.000 0.965 87 S HN 0.594 nan 8.310 nan 0.000 0.534 88 Q N 0.171 119.463 119.800 -0.848 0.000 2.461 88 Q HA -0.222 4.118 4.340 0.001 0.000 0.273 88 Q C -0.491 175.234 176.000 -0.457 0.000 1.163 88 Q CA 0.727 56.228 55.803 -0.503 0.000 0.929 88 Q CB -1.643 26.911 28.738 -0.306 0.000 1.334 88 Q HN 0.711 nan 8.270 nan 0.000 0.499 89 Q N 1.510 120.989 119.800 -0.535 0.000 2.327 89 Q HA 0.266 4.607 4.340 0.001 0.000 0.254 89 Q C -1.918 173.815 176.000 -0.446 0.000 0.952 89 Q CA -1.602 53.897 55.803 -0.507 0.000 0.884 89 Q CB 0.477 28.894 28.738 -0.536 0.000 1.224 89 Q HN 0.105 nan 8.270 nan 0.000 0.422 90 P HA -0.087 nan 4.420 nan 0.000 0.269 90 P C 0.440 177.446 177.300 -0.489 0.000 1.215 90 P CA 0.156 62.998 63.100 -0.430 0.000 0.780 90 P CB 0.618 32.073 31.700 -0.409 0.000 0.898 91 G N 2.460 111.126 108.800 -0.224 0.000 2.556 91 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 91 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 91 G C 1.398 176.216 174.900 -0.136 0.000 1.156 91 G CA 0.761 45.775 45.100 -0.143 0.000 0.766 91 G HN 0.759 nan 8.290 nan 0.000 0.583 92 W N -0.039 121.207 121.300 -0.090 0.000 2.342 92 W HA -0.009 4.651 4.660 0.001 0.000 0.297 92 W C 2.134 178.598 176.519 -0.092 0.000 1.213 92 W CA 1.158 58.451 57.345 -0.086 0.000 1.251 92 W CB -0.944 28.463 29.460 -0.088 0.000 1.136 92 W HN 0.295 nan 8.180 nan 0.000 0.526 93 M N 1.369 120.416 119.600 -0.923 0.000 2.288 93 M HA -0.136 4.345 4.480 0.001 0.000 0.266 93 M C 2.396 178.440 176.300 -0.426 0.000 1.072 93 M CA 1.535 56.339 55.300 -0.826 0.000 1.132 93 M CB -0.219 31.607 32.600 -1.290 0.000 1.386 93 M HN 0.008 nan 8.290 nan 0.000 0.432 94 Q N -0.264 119.307 119.800 -0.381 0.000 2.170 94 Q HA -0.140 4.201 4.340 0.001 0.000 0.203 94 Q C 1.856 177.757 176.000 -0.165 0.000 0.976 94 Q CA 1.887 57.535 55.803 -0.257 0.000 0.858 94 Q CB -0.147 28.455 28.738 -0.227 0.000 0.907 94 Q HN 0.653 nan 8.270 nan 0.000 0.433 95 S N -0.616 115.011 115.700 -0.120 0.000 2.558 95 S HA 0.138 4.609 4.470 0.001 0.000 0.217 95 S C 0.795 175.366 174.600 -0.048 0.000 0.975 95 S CA -0.261 57.900 58.200 -0.065 0.000 0.912 95 S CB 0.009 63.192 63.200 -0.028 0.000 0.776 95 S HN 0.100 nan 8.310 nan 0.000 0.526 96 L N 2.345 123.532 121.223 -0.059 0.000 2.439 96 L HA 0.617 4.958 4.340 0.001 0.000 0.259 96 L C 0.491 177.325 176.870 -0.060 0.000 1.129 96 L CA -0.388 54.433 54.840 -0.032 0.000 0.803 96 L CB 1.203 43.263 42.059 0.001 0.000 1.161 96 L HN 0.462 nan 8.230 nan 0.000 0.462 97 S N -0.893 114.783 115.700 -0.040 0.000 2.655 97 S HA 0.735 5.205 4.470 0.001 0.000 0.266 97 S C -0.154 174.428 174.600 -0.030 0.000 1.149 97 S CA -0.345 57.824 58.200 -0.053 0.000 0.818 97 S CB 0.951 64.120 63.200 -0.052 0.000 1.130 97 S HN 1.258 nan 8.310 nan 0.000 0.476 98 G N 1.888 110.669 108.800 -0.033 0.000 2.581 98 G HA2 -0.309 3.652 3.960 0.001 0.000 0.291 98 G HA3 -0.309 3.652 3.960 0.001 0.000 0.291 98 G C 1.128 176.031 174.900 0.004 0.000 1.277 98 G CA 1.740 46.833 45.100 -0.012 0.000 0.959 98 G HN 2.250 nan 8.290 nan 0.000 0.554 99 S N -1.639 114.070 115.700 0.015 0.000 2.400 99 S HA -0.134 4.337 4.470 0.001 0.000 0.232 99 S C 2.302 176.922 174.600 0.034 0.000 1.025 99 S CA 2.701 60.918 58.200 0.028 0.000 0.993 99 S CB -0.682 62.534 63.200 0.026 0.000 0.808 99 S HN 1.588 nan 8.310 nan 0.000 0.478 100 T N 1.235 115.806 114.554 0.029 0.000 2.821 100 T HA 0.044 4.394 4.350 0.001 0.000 0.267 100 T C 1.646 176.379 174.700 0.054 0.000 1.046 100 T CA 1.217 63.341 62.100 0.041 0.000 1.139 100 T CB -0.571 68.319 68.868 0.036 0.000 0.871 100 T HN 0.333 nan 8.240 nan 0.000 0.454 101 L N 1.326 122.567 121.223 0.029 0.000 2.093 101 L HA 0.207 4.548 4.340 0.001 0.000 0.208 101 L C 2.457 179.347 176.870 0.033 0.000 1.085 101 L CA 1.799 56.647 54.840 0.014 0.000 0.755 101 L CB -0.803 41.227 42.059 -0.048 0.000 0.904 101 L HN 0.123 nan 8.230 nan 0.000 0.435 102 R N -0.301 120.224 120.500 0.041 0.000 2.081 102 R HA -0.206 4.135 4.340 0.001 0.000 0.235 102 R C 2.333 178.690 176.300 0.096 0.000 1.131 102 R CA 1.915 58.060 56.100 0.075 0.000 0.960 102 R CB -0.710 29.637 30.300 0.077 0.000 0.856 102 R HN 0.512 nan 8.270 nan 0.000 0.436 103 Q N -0.304 119.547 119.800 0.086 0.000 2.172 103 Q HA 0.113 4.454 4.340 0.001 0.000 0.200 103 Q C 1.792 177.867 176.000 0.125 0.000 0.964 103 Q CA 1.837 57.696 55.803 0.094 0.000 0.855 103 Q CB -0.334 28.448 28.738 0.074 0.000 0.918 103 Q HN 0.403 nan 8.270 nan 0.000 0.444 104 A N 0.356 123.261 122.820 0.142 0.000 1.898 104 A HA -0.163 4.157 4.320 0.001 0.000 0.216 104 A C 2.132 179.856 177.584 0.234 0.000 1.181 104 A CA 1.579 53.746 52.037 0.216 0.000 0.620 104 A CB -0.677 18.485 19.000 0.270 0.000 0.819 104 A HN 0.589 nan 8.150 nan 0.000 0.442 105 M N -0.391 119.310 119.600 0.169 0.000 2.086 105 M HA -0.127 4.353 4.480 0.001 0.000 0.261 105 M C 1.932 178.361 176.300 0.215 0.000 1.067 105 M CA 1.907 57.317 55.300 0.183 0.000 1.116 105 M CB -0.324 32.374 32.600 0.164 0.000 1.348 105 M HN 0.427 nan 8.290 nan 0.000 0.407 106 I N 0.457 121.130 120.570 0.170 0.000 2.226 106 I HA -0.320 3.851 4.170 0.001 0.000 0.245 106 I C 1.817 178.023 176.117 0.148 0.000 1.100 106 I CA 1.294 62.675 61.300 0.135 0.000 1.374 106 I CB -0.762 37.300 38.000 0.104 0.000 1.057 106 I HN 0.319 nan 8.210 nan 0.000 0.413 107 D N -0.299 120.213 120.400 0.187 0.000 2.144 107 D HA -0.239 4.402 4.640 0.001 0.000 0.199 107 D C 1.972 178.472 176.300 0.334 0.000 0.984 107 D CA 1.500 55.633 54.000 0.221 0.000 0.834 107 D CB -0.390 40.542 40.800 0.220 0.000 0.955 107 D HN 0.446 nan 8.370 nan 0.000 0.465 108 H N 0.706 119.954 119.070 0.298 0.000 2.321 108 H HA -0.004 4.553 4.556 0.001 0.000 0.300 108 H C 2.214 177.665 175.328 0.206 0.000 1.087 108 H CA 1.266 57.548 56.048 0.390 0.000 1.319 108 H CB -0.315 29.634 29.762 0.313 0.000 1.379 108 H HN 0.037 nan 8.280 nan 0.000 0.501 109 I N 0.329 120.969 120.570 0.116 0.000 2.163 109 I HA -0.338 3.833 4.170 0.001 0.000 0.243 109 I C 2.026 178.045 176.117 -0.164 0.000 1.085 109 I CA 1.392 62.645 61.300 -0.078 0.000 1.347 109 I CB -0.358 37.617 38.000 -0.041 0.000 1.044 109 I HN 0.395 nan 8.210 nan 0.000 0.408 110 N N 1.102 119.754 118.700 -0.079 0.000 2.120 110 N HA -0.124 4.617 4.740 0.001 0.000 0.188 110 N C 1.891 177.280 175.510 -0.201 0.000 1.024 110 N CA 1.670 54.656 53.050 -0.107 0.000 0.852 110 N CB -0.697 37.768 38.487 -0.036 0.000 1.003 110 N HN 0.451 nan 8.380 nan 0.000 0.424 111 G N 0.934 109.559 108.800 -0.293 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 1.755 176.307 174.900 -0.580 0.000 1.174 111 G CA 0.787 45.447 45.100 -0.734 0.000 0.780 111 G HN 0.187 nan 8.290 nan 0.000 0.537 112 V N 1.054 120.728 119.914 -0.401 0.000 2.323 112 V HA -0.139 3.982 4.120 0.001 0.000 0.244 112 V C 2.904 178.947 176.094 -0.084 0.000 1.041 112 V CA 1.954 64.205 62.300 -0.082 0.000 1.025 112 V CB -0.448 31.339 31.823 -0.060 0.000 0.656 112 V HN 0.333 nan 8.190 nan 0.000 0.451 113 M N 0.366 119.810 119.600 -0.260 0.000 2.213 113 M HA -0.080 4.401 4.480 0.001 0.000 0.263 113 M C 2.267 178.513 176.300 -0.090 0.000 1.062 113 M CA 1.946 57.130 55.300 -0.193 0.000 1.105 113 M CB -0.854 31.538 32.600 -0.347 0.000 1.385 113 M HN 0.510 nan 8.290 nan 0.000 0.417 114 G N -0.971 107.730 108.800 -0.165 0.000 2.418 114 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 114 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 114 G C 1.182 175.946 174.900 -0.227 0.000 1.158 114 G CA 1.277 46.279 45.100 -0.163 0.000 0.771 114 G HN 0.472 nan 8.290 nan 0.000 0.545 115 H N -0.616 118.167 119.070 -0.478 0.000 2.387 115 H HA -0.019 4.538 4.556 0.001 0.000 0.299 115 H C 1.172 176.042 175.328 -0.762 0.000 1.090 115 H CA 1.217 56.783 56.048 -0.804 0.000 1.332 115 H CB -0.052 28.721 29.762 -1.647 0.000 1.386 115 H HN 0.428 nan 8.280 nan 0.000 0.516 116 Y N 0.314 120.440 120.300 -0.290 0.000 2.607 116 Y HA 0.214 4.765 4.550 0.001 0.000 0.266 116 Y C 0.599 176.427 175.900 -0.119 0.000 1.178 116 Y CA -0.499 57.447 58.100 -0.257 0.000 1.226 116 Y CB -0.071 38.371 38.460 -0.030 0.000 1.144 116 Y HN -0.026 nan 8.280 nan 0.000 0.528 117 K N 0.851 121.242 120.400 -0.016 0.000 2.473 117 K HA 0.082 4.403 4.320 0.001 0.000 0.277 117 K C 1.299 177.909 176.600 0.016 0.000 1.052 117 K CA 1.357 57.653 56.287 0.015 0.000 1.114 117 K CB -0.235 32.239 32.500 -0.042 0.000 0.869 117 K HN 0.637 nan 8.250 nan 0.000 0.481 118 G N 3.691 112.528 108.800 0.062 0.000 2.184 118 G HA2 -0.313 3.648 3.960 0.001 0.000 0.264 118 G HA3 -0.313 3.648 3.960 0.001 0.000 0.264 118 G C 0.462 175.395 174.900 0.055 0.000 0.975 118 G CA 0.826 45.957 45.100 0.051 0.000 0.642 118 G HN 0.737 nan 8.290 nan 0.000 0.536 119 K N -0.686 119.751 120.400 0.063 0.000 2.374 119 K HA 0.366 4.686 4.320 0.001 0.000 0.202 119 K C 0.391 177.046 176.600 0.092 0.000 1.040 119 K CA -0.173 56.168 56.287 0.090 0.000 1.085 119 K CB 0.951 33.478 32.500 0.044 0.000 0.873 119 K HN 0.310 nan 8.250 nan 0.000 0.539 120 I N 1.046 121.633 120.570 0.028 0.000 2.354 120 I HA 0.204 4.375 4.170 0.001 0.000 0.292 120 I C 1.169 177.239 176.117 -0.078 0.000 0.989 120 I CA -0.319 60.912 61.300 -0.115 0.000 1.188 120 I CB 1.093 38.873 38.000 -0.366 0.000 1.342 120 I HN -0.014 nan 8.210 nan 0.000 0.457 121 A N 6.212 128.967 122.820 -0.108 0.000 1.873 121 A HA -0.043 4.278 4.320 0.001 0.000 0.215 121 A C 0.802 178.365 177.584 -0.036 0.000 1.186 121 A CA 1.163 53.166 52.037 -0.058 0.000 0.616 121 A CB 0.048 18.996 19.000 -0.087 0.000 0.823 121 A HN 0.782 nan 8.150 nan 0.000 0.442 122 Q N -3.219 116.511 119.800 -0.115 0.000 2.379 122 Q HA 0.478 4.818 4.340 0.001 0.000 0.278 122 Q C -2.041 173.883 176.000 -0.127 0.000 1.068 122 Q CA -0.353 55.429 55.803 -0.034 0.000 0.816 122 Q CB 2.093 30.828 28.738 -0.006 0.000 1.387 122 Q HN 0.539 nan 8.270 nan 0.000 0.413 123 W N 1.326 122.647 121.300 0.036 0.000 2.656 123 W HA 0.315 4.976 4.660 0.001 0.000 0.327 123 W C -0.736 175.793 176.519 0.017 0.000 1.041 123 W CA -0.450 56.906 57.345 0.018 0.000 1.229 123 W CB 1.678 31.142 29.460 0.006 0.000 1.397 123 W HN 0.440 nan 8.180 nan 0.000 0.479 124 D N 3.393 123.992 120.400 0.331 0.000 2.402 124 D HA 0.068 4.709 4.640 0.001 0.000 0.235 124 D C 1.067 177.448 176.300 0.136 0.000 1.226 124 D CA 0.234 54.335 54.000 0.168 0.000 0.918 124 D CB 1.444 42.310 40.800 0.110 0.000 1.043 124 D HN 0.116 nan 8.370 nan 0.000 0.506 125 V N 2.136 122.063 119.914 0.021 0.000 2.323 125 V HA -0.085 4.036 4.120 0.001 0.000 0.244 125 V C 1.044 177.059 176.094 -0.131 0.000 1.041 125 V CA 0.977 63.156 62.300 -0.201 0.000 1.025 125 V CB 0.126 31.509 31.823 -0.732 0.000 0.656 125 V HN 0.271 nan 8.190 nan 0.000 0.451 126 V N -0.955 118.929 119.914 -0.049 0.000 2.789 126 V HA 0.694 4.815 4.120 0.001 0.000 0.311 126 V C -0.559 175.558 176.094 0.038 0.000 1.073 126 V CA -0.216 62.173 62.300 0.149 0.000 0.921 126 V CB 1.943 33.936 31.823 0.284 0.000 1.009 126 V HN 0.276 nan 8.190 nan 0.000 0.426 127 S N 1.031 116.834 115.700 0.172 0.000 2.607 127 S HA 0.632 5.102 4.470 0.001 0.000 0.273 127 S C -0.444 174.511 174.600 0.592 0.000 1.148 127 S CA -0.402 57.857 58.200 0.099 0.000 0.833 127 S CB 0.810 63.997 63.200 -0.023 0.000 1.130 127 S HN 1.008 nan 8.310 nan 0.000 0.470 128 H N -0.067 119.177 119.070 0.290 0.000 2.690 128 H HA -0.192 4.364 4.556 0.001 0.000 0.309 128 H C 1.034 176.679 175.328 0.528 0.000 1.138 128 H CA 0.907 57.264 56.048 0.514 0.000 1.142 128 H CB -1.739 28.527 29.762 0.840 0.000 1.410 128 H HN 0.651 nan 8.280 nan 0.000 0.409 129 A N -1.083 122.167 122.820 0.717 0.000 2.169 129 A HA 0.242 4.562 4.320 0.001 0.000 0.212 129 A C 0.473 178.255 177.584 0.331 0.000 1.153 129 A CA 0.380 52.804 52.037 0.646 0.000 0.756 129 A CB 0.259 19.682 19.000 0.706 0.000 0.813 129 A HN 0.191 nan 8.150 nan 0.000 0.471 130 F N -0.833 119.249 119.950 0.221 0.000 2.470 130 F HA 0.533 5.061 4.527 0.001 0.000 0.329 130 F C 0.925 176.752 175.800 0.046 0.000 1.072 130 F CA -0.867 57.193 58.000 0.098 0.000 0.989 130 F CB 1.517 40.550 39.000 0.054 0.000 1.193 130 F HN -0.062 nan 8.300 nan 0.000 0.481 131 S N 0.169 115.967 115.700 0.163 0.000 2.632 131 S HA 0.182 4.652 4.470 0.001 0.000 0.267 131 S C 0.255 174.926 174.600 0.119 0.000 1.276 131 S CA -0.552 57.711 58.200 0.106 0.000 0.998 131 S CB 0.450 63.684 63.200 0.056 0.000 0.953 131 S HN 0.619 nan 8.310 nan 0.000 0.547 132 D N 0.974 121.441 120.400 0.110 0.000 2.402 132 D HA 0.078 4.718 4.640 0.001 0.000 0.216 132 D C 0.539 176.882 176.300 0.071 0.000 1.128 132 D CA 0.166 54.239 54.000 0.122 0.000 0.833 132 D CB 0.146 41.060 40.800 0.190 0.000 0.971 132 D HN 0.739 nan 8.370 nan 0.000 0.503 133 D N 0.029 120.459 120.400 0.050 0.000 2.348 133 D HA -0.009 4.632 4.640 0.001 0.000 0.216 133 D C 1.633 177.924 176.300 -0.014 0.000 0.970 133 D CA 0.911 54.921 54.000 0.017 0.000 0.889 133 D CB -0.132 40.678 40.800 0.015 0.000 0.912 133 D HN 0.155 nan 8.370 nan 0.000 0.524 134 G N -0.457 108.334 108.800 -0.014 0.000 2.157 134 G HA2 -0.322 3.638 3.960 0.001 0.000 0.239 134 G HA3 -0.322 3.638 3.960 0.001 0.000 0.239 134 G C 1.108 175.990 174.900 -0.030 0.000 0.982 134 G CA 0.683 45.749 45.100 -0.057 0.000 0.650 134 G HN 0.694 nan 8.290 nan 0.000 0.527 135 S N -0.584 115.118 115.700 0.004 0.000 2.503 135 S HA 0.423 4.893 4.470 0.001 0.000 0.217 135 S C 2.231 176.854 174.600 0.039 0.000 0.999 135 S CA 1.416 59.622 58.200 0.011 0.000 0.914 135 S CB 0.336 63.543 63.200 0.011 0.000 0.782 135 S HN 2.317 nan 8.310 nan 0.000 0.520 136 G N 0.582 109.430 108.800 0.080 0.000 2.148 136 G HA2 -0.093 3.867 3.960 0.001 0.000 0.254 136 G HA3 -0.093 3.867 3.960 0.001 0.000 0.254 136 G C 0.390 175.433 174.900 0.237 0.000 0.981 136 G CA 0.022 45.210 45.100 0.146 0.000 0.670 136 G HN 1.073 nan 8.290 nan 0.000 0.528 137 G N -1.028 107.853 108.800 0.135 0.000 2.531 137 G HA2 0.632 4.593 3.960 0.001 0.000 0.313 137 G HA3 0.632 4.593 3.960 0.001 0.000 0.313 137 G C 0.189 175.008 174.900 -0.136 0.000 1.238 137 G CA -0.894 44.222 45.100 0.027 0.000 0.994 137 G HN 0.319 nan 8.290 nan 0.000 0.493 138 R N -0.156 120.152 120.500 -0.320 0.000 2.643 138 R HA 0.137 4.478 4.340 0.001 0.000 0.270 138 R C 0.773 176.984 176.300 -0.148 0.000 1.061 138 R CA -0.283 55.572 56.100 -0.408 0.000 1.107 138 R CB 0.598 30.737 30.300 -0.268 0.000 0.999 138 R HN 0.783 nan 8.270 nan 0.000 0.460 139 R N 0.154 120.599 120.500 -0.091 0.000 2.490 139 R HA 0.130 4.471 4.340 0.001 0.000 0.278 139 R C -0.533 175.727 176.300 -0.068 0.000 1.069 139 R CA -0.562 55.507 56.100 -0.052 0.000 1.080 139 R CB 0.470 30.737 30.300 -0.054 0.000 1.030 139 R HN 0.390 nan 8.270 nan 0.000 0.491 140 D N 2.035 122.395 120.400 -0.066 0.000 2.358 140 D HA 0.094 4.734 4.640 0.001 0.000 0.258 140 D C -0.966 175.272 176.300 -0.103 0.000 1.223 140 D CA 0.406 54.364 54.000 -0.071 0.000 0.886 140 D CB 0.621 41.390 40.800 -0.051 0.000 1.120 140 D HN 0.674 nan 8.370 nan 0.000 0.482 141 S N 2.567 118.191 115.700 -0.127 0.000 2.638 141 S HA 0.287 4.757 4.470 0.001 0.000 0.274 141 S C 0.965 175.449 174.600 -0.194 0.000 1.157 141 S CA -0.854 57.252 58.200 -0.156 0.000 0.826 141 S CB 1.055 64.148 63.200 -0.179 0.000 1.139 141 S HN 0.440 nan 8.310 nan 0.000 0.474 142 N N 1.098 119.678 118.700 -0.199 0.000 2.223 142 N HA -0.093 4.647 4.740 0.001 0.000 0.185 142 N C 1.513 176.842 175.510 -0.303 0.000 1.016 142 N CA 1.243 54.169 53.050 -0.207 0.000 0.863 142 N CB -0.901 37.474 38.487 -0.187 0.000 0.983 142 N HN 0.668 nan 8.380 nan 0.000 0.429 143 L N -0.069 120.869 121.223 -0.475 0.000 2.056 143 L HA -0.098 4.242 4.340 0.001 0.000 0.207 143 L C 2.803 179.062 176.870 -1.019 0.000 1.078 143 L CA 1.212 55.553 54.840 -0.832 0.000 0.749 143 L CB -0.466 40.782 42.059 -1.352 0.000 0.901 143 L HN 0.203 nan 8.230 nan 0.000 0.433 144 Q N 0.619 119.957 119.800 -0.769 0.000 2.167 144 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 144 Q C 2.081 177.995 176.000 -0.143 0.000 0.970 144 Q CA 1.465 57.066 55.803 -0.337 0.000 0.855 144 Q CB -0.030 28.665 28.738 -0.072 0.000 0.911 144 Q HN 0.284 nan 8.270 nan 0.000 0.438 145 R N -0.521 119.878 120.500 -0.168 0.000 2.316 145 R HA -0.008 4.333 4.340 0.001 0.000 0.202 145 R C 1.771 178.032 176.300 -0.066 0.000 1.029 145 R CA 1.268 57.313 56.100 -0.090 0.000 1.018 145 R CB -0.102 30.144 30.300 -0.091 0.000 0.888 145 R HN 0.449 nan 8.270 nan 0.000 0.471 146 T N -2.930 111.570 114.554 -0.091 0.000 3.067 146 T HA 0.194 4.545 4.350 0.001 0.000 0.257 146 T C 0.813 175.539 174.700 0.042 0.000 1.105 146 T CA 0.487 62.568 62.100 -0.031 0.000 1.104 146 T CB 0.747 69.589 68.868 -0.043 0.000 0.925 146 T HN 0.270 nan 8.240 nan 0.000 0.498 147 G N 0.762 109.612 108.800 0.083 0.000 2.277 147 G HA2 0.107 4.067 3.960 0.001 0.000 0.272 147 G HA3 0.107 4.067 3.960 0.001 0.000 0.272 147 G C -0.179 174.884 174.900 0.271 0.000 1.692 147 G CA -0.342 44.843 45.100 0.142 0.000 0.926 147 G HN 0.078 nan 8.290 nan 0.000 0.720 148 N N 0.579 119.403 118.700 0.206 0.000 2.430 148 N HA -0.118 4.622 4.740 0.001 0.000 0.186 148 N C 1.724 177.354 175.510 0.200 0.000 1.032 148 N CA 1.903 55.086 53.050 0.222 0.000 0.893 148 N CB 0.231 38.784 38.487 0.110 0.000 0.957 148 N HN 0.624 nan 8.380 nan 0.000 0.442 149 D N -0.557 119.956 120.400 0.189 0.000 2.328 149 D HA -0.106 4.535 4.640 0.001 0.000 0.226 149 D C 1.665 178.061 176.300 0.162 0.000 1.066 149 D CA -0.172 53.907 54.000 0.131 0.000 0.861 149 D CB -0.882 39.977 40.800 0.097 0.000 0.912 149 D HN 0.557 nan 8.370 nan 0.000 0.521 150 W N 1.394 122.753 121.300 0.098 0.000 2.363 150 W HA -0.097 4.563 4.660 0.001 0.000 0.296 150 W C 1.477 178.094 176.519 0.164 0.000 1.212 150 W CA 0.149 57.558 57.345 0.107 0.000 1.260 150 W CB -1.034 28.480 29.460 0.091 0.000 1.131 150 W HN -0.092 nan 8.180 nan 0.000 0.530 151 I N 1.344 121.531 120.570 -0.638 0.000 2.179 151 I HA -0.288 3.883 4.170 0.001 0.000 0.242 151 I C 2.805 178.974 176.117 0.086 0.000 1.088 151 I CA 2.194 63.221 61.300 -0.455 0.000 1.357 151 I CB -0.769 36.986 38.000 -0.410 0.000 1.051 151 I HN 0.020 nan 8.210 nan 0.000 0.409 152 E N 1.018 121.227 120.200 0.015 0.000 2.085 152 E HA -0.207 4.144 4.350 0.001 0.000 0.194 152 E C 2.303 178.878 176.600 -0.042 0.000 0.994 152 E CA 1.603 57.878 56.400 -0.208 0.000 0.801 152 E CB 0.142 29.664 29.700 -0.297 0.000 0.743 152 E HN 0.275 nan 8.360 nan 0.000 0.453 153 V N 1.146 121.077 119.914 0.028 0.000 2.407 153 V HA -0.257 3.864 4.120 0.001 0.000 0.248 153 V C 2.442 178.580 176.094 0.073 0.000 1.055 153 V CA 1.676 64.012 62.300 0.059 0.000 1.049 153 V CB -0.760 31.125 31.823 0.104 0.000 0.662 153 V HN 0.422 nan 8.190 nan 0.000 0.455 154 A N -0.322 122.552 122.820 0.089 0.000 1.883 154 A HA -0.205 4.115 4.320 0.001 0.000 0.217 154 A C 2.046 179.580 177.584 -0.083 0.000 1.186 154 A CA 1.941 53.988 52.037 0.017 0.000 0.624 154 A CB -0.734 18.262 19.000 -0.006 0.000 0.822 154 A HN 0.464 nan 8.150 nan 0.000 0.444 155 F N -0.254 119.692 119.950 -0.007 0.000 2.146 155 F HA -0.097 4.430 4.527 0.001 0.000 0.298 155 F C 2.613 178.393 175.800 -0.034 0.000 1.096 155 F CA 1.717 59.709 58.000 -0.013 0.000 1.275 155 F CB -0.252 38.723 39.000 -0.041 0.000 1.008 155 F HN 0.096 nan 8.300 nan 0.000 0.480 156 R N -0.592 119.974 120.500 0.110 0.000 2.096 156 R HA -0.117 4.224 4.340 0.001 0.000 0.235 156 R C 2.090 178.408 176.300 0.029 0.000 1.127 156 R CA 1.854 57.981 56.100 0.046 0.000 0.968 156 R CB -0.938 29.367 30.300 0.008 0.000 0.861 156 R HN 0.215 nan 8.270 nan 0.000 0.440 157 T N 0.899 115.465 114.554 0.019 0.000 2.708 157 T HA -0.136 4.214 4.350 0.001 0.000 0.266 157 T C 1.965 176.649 174.700 -0.028 0.000 1.037 157 T CA 1.435 63.535 62.100 0.000 0.000 1.146 157 T CB -0.250 68.622 68.868 0.007 0.000 0.865 157 T HN 0.375 nan 8.240 nan 0.000 0.435 158 A N 1.862 124.649 122.820 -0.054 0.000 1.902 158 A HA -0.132 4.189 4.320 0.001 0.000 0.217 158 A C 2.249 179.818 177.584 -0.024 0.000 1.181 158 A CA 2.072 54.054 52.037 -0.092 0.000 0.623 158 A CB -0.582 18.326 19.000 -0.153 0.000 0.818 158 A HN 0.346 nan 8.150 nan 0.000 0.443 159 R N 0.288 120.807 120.500 0.031 0.000 2.083 159 R HA -0.092 4.248 4.340 0.001 0.000 0.237 159 R C 2.101 178.417 176.300 0.027 0.000 1.137 159 R CA 2.186 58.318 56.100 0.053 0.000 0.951 159 R CB -0.891 29.450 30.300 0.068 0.000 0.851 159 R HN 0.395 nan 8.270 nan 0.000 0.434 160 A N 0.025 122.853 122.820 0.013 0.000 1.930 160 A HA 0.049 4.370 4.320 0.001 0.000 0.217 160 A C 2.368 179.948 177.584 -0.008 0.000 1.175 160 A CA 1.579 53.618 52.037 0.004 0.000 0.627 160 A CB -0.957 18.045 19.000 0.002 0.000 0.815 160 A HN 0.506 nan 8.150 nan 0.000 0.443 161 A N -1.215 121.589 122.820 -0.026 0.000 1.902 161 A HA 0.009 4.330 4.320 0.001 0.000 0.217 161 A C 0.942 178.507 177.584 -0.031 0.000 1.181 161 A CA 1.753 53.762 52.037 -0.047 0.000 0.623 161 A CB -0.081 18.863 19.000 -0.093 0.000 0.818 161 A HN 0.406 nan 8.150 nan 0.000 0.443 162 D N -2.783 117.612 120.400 -0.007 0.000 2.337 162 D HA 0.335 4.976 4.640 0.001 0.000 0.238 162 D C -2.583 173.753 176.300 0.060 0.000 1.331 162 D CA -1.439 52.581 54.000 0.033 0.000 0.967 162 D CB 1.157 41.999 40.800 0.071 0.000 1.382 162 D HN -0.095 nan 8.370 nan 0.000 0.549 163 P HA 0.046 nan 4.420 nan 0.000 0.230 163 P C 0.899 178.241 177.300 0.071 0.000 1.158 163 P CA 0.610 63.744 63.100 0.057 0.000 0.769 163 P CB 0.423 32.147 31.700 0.040 0.000 0.807 164 A N -0.851 122.014 122.820 0.075 0.000 2.123 164 A HA 0.384 4.704 4.320 0.001 0.000 0.214 164 A C 1.268 178.912 177.584 0.102 0.000 1.152 164 A CA 0.419 52.503 52.037 0.078 0.000 0.728 164 A CB -0.648 18.391 19.000 0.065 0.000 0.814 164 A HN 0.223 nan 8.150 nan 0.000 0.464 165 A N 0.319 123.225 122.820 0.142 0.000 2.310 165 A HA 0.545 4.865 4.320 0.001 0.000 0.299 165 A C -0.019 177.674 177.584 0.182 0.000 1.147 165 A CA -0.570 51.578 52.037 0.185 0.000 0.818 165 A CB 0.303 19.510 19.000 0.345 0.000 1.096 165 A HN 0.337 nan 8.150 nan 0.000 0.495 166 K N 1.721 122.219 120.400 0.163 0.000 2.339 166 K HA 0.347 4.668 4.320 0.001 0.000 0.286 166 K C -0.981 175.758 176.600 0.232 0.000 1.050 166 K CA 0.164 56.554 56.287 0.172 0.000 0.956 166 K CB 0.592 33.176 32.500 0.140 0.000 0.990 166 K HN 0.583 nan 8.250 nan 0.000 0.475 167 L N 4.251 125.638 121.223 0.275 0.000 2.264 167 L HA 0.313 4.654 4.340 0.001 0.000 0.289 167 L C -0.393 176.763 176.870 0.477 0.000 1.044 167 L CA -0.878 54.190 54.840 0.379 0.000 0.807 167 L CB 0.843 43.180 42.059 0.463 0.000 1.192 167 L HN 0.655 nan 8.230 nan 0.000 0.425 168 c N 2.043 120.896 118.600 0.420 0.000 2.435 168 c HA 0.447 5.017 4.570 0.001 0.000 0.333 168 c C -0.205 174.171 174.090 0.477 0.000 1.202 168 c CA -0.987 55.566 56.329 0.374 0.000 1.830 168 c CB 1.348 43.970 42.510 0.186 0.000 2.326 168 c HN 0.620 nan 8.230 nan 0.000 0.507 169 Y N 2.622 123.119 120.300 0.329 0.000 2.328 169 Y HA 0.518 5.068 4.550 0.001 0.000 0.337 169 Y C -0.176 175.740 175.900 0.026 0.000 1.008 169 Y CA -0.204 58.070 58.100 0.290 0.000 1.129 169 Y CB 0.453 39.018 38.460 0.175 0.000 1.185 169 Y HN 0.797 nan 8.280 nan 0.000 0.476 170 N N 4.238 122.470 118.700 -0.780 0.000 2.314 170 N HA 0.443 5.184 4.740 0.001 0.000 0.304 170 N C -1.972 173.110 175.510 -0.713 0.000 1.073 170 N CA -0.296 52.401 53.050 -0.588 0.000 0.822 170 N CB 1.307 39.620 38.487 -0.291 0.000 1.280 170 N HN 0.774 nan 8.380 nan 0.000 0.489 171 D N 0.094 120.191 120.400 -0.506 0.000 2.671 171 D HA 0.228 4.869 4.640 0.001 0.000 0.273 171 D C -1.487 174.652 176.300 -0.269 0.000 1.264 171 D CA -0.287 53.486 54.000 -0.379 0.000 0.788 171 D CB 0.827 41.480 40.800 -0.245 0.000 1.324 171 D HN 0.419 nan 8.370 nan 0.000 0.424 172 Y N -0.366 119.774 120.300 -0.268 0.000 2.587 172 Y HA 0.576 5.126 4.550 0.001 0.000 0.337 172 Y C 0.564 176.414 175.900 -0.083 0.000 1.065 172 Y CA -0.939 57.054 58.100 -0.179 0.000 1.126 172 Y CB 0.518 38.920 38.460 -0.097 0.000 1.279 172 Y HN 0.283 nan 8.280 nan 0.000 0.489 173 N N 0.468 119.149 118.700 -0.031 0.000 2.725 173 N HA -0.209 4.531 4.740 0.001 0.000 0.249 173 N C -0.337 175.099 175.510 -0.123 0.000 1.103 173 N CA 1.472 54.455 53.050 -0.111 0.000 0.707 173 N CB -1.445 37.092 38.487 0.083 0.000 1.043 173 N HN 0.882 nan 8.380 nan 0.000 0.553 174 I N -4.189 116.330 120.570 -0.085 0.000 3.817 174 I HA 0.321 4.491 4.170 0.001 0.000 0.325 174 I C 0.813 177.073 176.117 0.239 0.000 1.550 174 I CA -0.448 60.877 61.300 0.042 0.000 1.100 174 I CB 0.585 38.566 38.000 -0.032 0.000 1.216 174 I HN -0.238 nan 8.210 nan 0.000 0.481 175 E N 1.101 121.342 120.200 0.068 0.000 2.190 175 E HA 0.085 4.436 4.350 0.001 0.000 0.191 175 E C 0.718 177.381 176.600 0.106 0.000 0.978 175 E CA 0.311 56.771 56.400 0.101 0.000 0.839 175 E CB 0.063 29.566 29.700 -0.330 0.000 0.787 175 E HN 0.357 nan 8.360 nan 0.000 0.473 176 N N 0.752 119.359 118.700 -0.154 0.000 2.411 176 N HA -0.070 4.671 4.740 0.001 0.000 0.259 176 N C 0.109 175.678 175.510 0.098 0.000 1.103 176 N CA -0.073 52.886 53.050 -0.152 0.000 0.954 176 N CB 0.339 38.459 38.487 -0.611 0.000 1.085 176 N HN 0.279 nan 8.380 nan 0.000 0.485 177 W N 3.609 124.929 121.300 0.032 0.000 2.364 177 W HA -0.203 4.458 4.660 0.001 0.000 0.281 177 W C 1.244 177.825 176.519 0.103 0.000 1.219 177 W CA 1.921 59.303 57.345 0.063 0.000 1.220 177 W CB 0.087 29.551 29.460 0.006 0.000 1.127 177 W HN 0.624 nan 8.180 nan 0.000 0.556 178 T N -2.883 111.752 114.554 0.135 0.000 3.085 178 T HA -0.128 4.222 4.350 0.001 0.000 0.263 178 T C 0.240 175.036 174.700 0.160 0.000 1.127 178 T CA 0.070 62.224 62.100 0.091 0.000 1.103 178 T CB -0.637 68.347 68.868 0.195 0.000 0.921 178 T HN -0.056 nan 8.240 nan 0.000 0.510 179 W N 1.326 122.557 121.300 -0.114 0.000 2.238 179 W HA 0.710 5.371 4.660 0.001 0.000 0.321 179 W C 1.547 177.987 176.519 -0.131 0.000 1.293 179 W CA -1.191 56.104 57.345 -0.085 0.000 1.204 179 W CB 0.440 29.884 29.460 -0.027 0.000 1.167 179 W HN 0.169 nan 8.180 nan 0.000 0.553 180 A N 3.063 125.914 122.820 0.051 0.000 1.940 180 A HA -0.239 4.082 4.320 0.001 0.000 0.219 180 A C 2.042 179.651 177.584 0.042 0.000 1.176 180 A CA 1.865 53.901 52.037 -0.001 0.000 0.631 180 A CB -0.496 18.491 19.000 -0.021 0.000 0.814 180 A HN 0.724 nan 8.150 nan 0.000 0.446 181 K N -0.860 119.611 120.400 0.118 0.000 2.057 181 K HA -0.138 4.183 4.320 0.001 0.000 0.207 181 K C 1.994 178.585 176.600 -0.016 0.000 1.049 181 K CA 1.833 58.177 56.287 0.096 0.000 0.931 181 K CB -0.300 32.288 32.500 0.147 0.000 0.714 181 K HN 0.480 nan 8.250 nan 0.000 0.440 182 T N 1.356 115.940 114.554 0.049 0.000 2.746 182 T HA -0.128 4.223 4.350 0.001 0.000 0.267 182 T C 1.768 176.454 174.700 -0.023 0.000 1.039 182 T CA 1.061 63.196 62.100 0.059 0.000 1.142 182 T CB -0.117 68.808 68.868 0.095 0.000 0.866 182 T HN 0.264 nan 8.240 nan 0.000 0.444 183 Q N 0.560 120.261 119.800 -0.165 0.000 2.119 183 Q HA 0.018 4.359 4.340 0.001 0.000 0.201 183 Q C 2.744 178.700 176.000 -0.074 0.000 0.972 183 Q CA 1.552 57.234 55.803 -0.201 0.000 0.847 183 Q CB -1.047 27.544 28.738 -0.245 0.000 0.903 183 Q HN 0.619 nan 8.270 nan 0.000 0.433 184 G N 0.379 109.129 108.800 -0.083 0.000 2.440 184 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 184 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 184 G C 1.610 176.283 174.900 -0.378 0.000 1.154 184 G CA 1.057 46.133 45.100 -0.040 0.000 0.767 184 G HN 0.280 nan 8.290 nan 0.000 0.552 185 V N -0.239 119.246 119.914 -0.715 0.000 2.379 185 V HA -0.143 3.977 4.120 0.001 0.000 0.245 185 V C 2.252 178.246 176.094 -0.168 0.000 1.044 185 V CA 1.597 63.458 62.300 -0.732 0.000 1.036 185 V CB -0.695 30.823 31.823 -0.507 0.000 0.664 185 V HN 0.471 nan 8.190 nan 0.000 0.453 186 Y N 2.144 122.387 120.300 -0.094 0.000 2.128 186 Y HA -0.250 4.301 4.550 0.001 0.000 0.284 186 Y C 2.532 178.268 175.900 -0.272 0.000 1.154 186 Y CA 2.046 59.951 58.100 -0.326 0.000 1.149 186 Y CB -0.408 37.826 38.460 -0.376 0.000 0.976 186 Y HN 0.287 nan 8.280 nan 0.000 0.505 187 N N 0.191 118.775 118.700 -0.193 0.000 2.166 187 N HA -0.237 4.503 4.740 0.001 0.000 0.186 187 N C 2.052 177.386 175.510 -0.293 0.000 1.019 187 N CA 1.783 54.698 53.050 -0.225 0.000 0.856 187 N CB -0.568 37.882 38.487 -0.063 0.000 0.993 187 N HN 0.544 nan 8.380 nan 0.000 0.426 188 M N 0.705 120.112 119.600 -0.321 0.000 2.099 188 M HA -0.112 4.369 4.480 0.001 0.000 0.262 188 M C 1.685 177.524 176.300 -0.768 0.000 1.067 188 M CA 1.351 56.342 55.300 -0.515 0.000 1.124 188 M CB 0.029 32.316 32.600 -0.520 0.000 1.353 188 M HN -0.137 nan 8.290 nan 0.000 0.410 189 V N 0.618 120.173 119.914 -0.600 0.000 2.343 189 V HA -0.267 3.853 4.120 0.001 0.000 0.247 189 V C 2.489 178.399 176.094 -0.306 0.000 1.051 189 V CA 2.260 64.302 62.300 -0.429 0.000 1.036 189 V CB -1.087 30.652 31.823 -0.140 0.000 0.654 189 V HN 0.561 nan 8.190 nan 0.000 0.451 190 R N 0.409 120.649 120.500 -0.433 0.000 2.073 190 R HA -0.240 4.100 4.340 0.001 0.000 0.234 190 R C 2.167 178.362 176.300 -0.176 0.000 1.134 190 R CA 2.320 58.202 56.100 -0.363 0.000 0.952 190 R CB -0.502 29.476 30.300 -0.537 0.000 0.850 190 R HN 0.610 nan 8.270 nan 0.000 0.433 191 D N -0.442 119.862 120.400 -0.161 0.000 2.104 191 D HA -0.201 4.440 4.640 0.001 0.000 0.194 191 D C 1.657 178.035 176.300 0.130 0.000 0.994 191 D CA 1.380 55.367 54.000 -0.021 0.000 0.830 191 D CB -0.124 40.668 40.800 -0.013 0.000 0.959 191 D HN 0.173 nan 8.370 nan 0.000 0.452 192 F N 1.045 120.913 119.950 -0.138 0.000 2.095 192 F HA -0.109 4.419 4.527 0.001 0.000 0.298 192 F C 2.344 178.077 175.800 -0.112 0.000 1.104 192 F CA 0.991 58.907 58.000 -0.139 0.000 1.232 192 F CB -0.768 38.106 39.000 -0.210 0.000 0.987 192 F HN 0.010 nan 8.300 nan 0.000 0.475 193 K N 0.383 120.838 120.400 0.092 0.000 2.097 193 K HA -0.151 4.170 4.320 0.001 0.000 0.206 193 K C 1.951 178.557 176.600 0.009 0.000 1.049 193 K CA 1.061 57.364 56.287 0.026 0.000 0.933 193 K CB -0.792 31.705 32.500 -0.005 0.000 0.717 193 K HN 0.451 nan 8.250 nan 0.000 0.442 194 Q N 0.208 120.010 119.800 0.004 0.000 2.119 194 Q HA -0.044 4.296 4.340 0.001 0.000 0.201 194 Q C 1.843 177.846 176.000 0.004 0.000 0.972 194 Q CA 1.086 56.888 55.803 -0.002 0.000 0.847 194 Q CB -0.030 28.702 28.738 -0.010 0.000 0.903 194 Q HN 0.254 nan 8.270 nan 0.000 0.433 195 R N -0.724 119.783 120.500 0.013 0.000 2.317 195 R HA 0.093 4.433 4.340 0.001 0.000 0.208 195 R C 0.818 177.104 176.300 -0.023 0.000 0.914 195 R CA 0.559 56.657 56.100 -0.002 0.000 1.060 195 R CB 0.593 30.894 30.300 0.002 0.000 1.015 195 R HN 0.369 nan 8.270 nan 0.000 0.498 196 G N 1.050 109.837 108.800 -0.021 0.000 2.141 196 G HA2 -0.243 3.717 3.960 0.001 0.000 0.242 196 G HA3 -0.243 3.717 3.960 0.001 0.000 0.242 196 G C 0.188 175.048 174.900 -0.067 0.000 0.982 196 G CA -0.058 45.024 45.100 -0.031 0.000 0.662 196 G HN 0.130 nan 8.290 nan 0.000 0.527 197 V N 2.672 122.509 119.914 -0.127 0.000 2.529 197 V HA 0.277 4.398 4.120 0.001 0.000 0.292 197 V C -0.876 175.121 176.094 -0.163 0.000 1.028 197 V CA -0.425 61.717 62.300 -0.265 0.000 1.074 197 V CB 0.938 32.334 31.823 -0.712 0.000 0.958 197 V HN 0.314 nan 8.190 nan 0.000 0.481 198 P HA 0.229 nan 4.420 nan 0.000 0.266 198 P C -0.581 176.751 177.300 0.053 0.000 1.419 198 P CA 0.442 63.552 63.100 0.016 0.000 1.112 198 P CB 0.426 32.167 31.700 0.068 0.000 1.438 199 I N 2.662 123.221 120.570 -0.019 0.000 2.499 199 I HA 0.273 4.443 4.170 0.001 0.000 0.288 199 I C 0.028 176.187 176.117 0.069 0.000 1.048 199 I CA -0.689 60.579 61.300 -0.053 0.000 1.062 199 I CB 2.425 40.237 38.000 -0.314 0.000 1.238 199 I HN -0.005 nan 8.210 nan 0.000 0.426 200 D N 5.987 126.477 120.400 0.150 0.000 2.454 200 D HA 0.174 4.814 4.640 0.001 0.000 0.214 200 D C -0.140 176.247 176.300 0.145 0.000 1.088 200 D CA 0.419 54.502 54.000 0.138 0.000 0.855 200 D CB 0.660 41.549 40.800 0.149 0.000 1.025 200 D HN 0.575 nan 8.370 nan 0.000 0.502 201 c N -0.855 117.847 118.600 0.170 0.000 3.285 201 c HA 0.765 5.336 4.570 0.001 0.000 0.325 201 c C -0.664 173.515 174.090 0.148 0.000 1.304 201 c CA -1.003 55.423 56.329 0.162 0.000 1.319 201 c CB 1.557 44.162 42.510 0.159 0.000 1.640 201 c HN -0.110 nan 8.230 nan 0.000 0.477 202 V N 1.407 121.378 119.914 0.096 0.000 2.487 202 V HA 0.788 4.909 4.120 0.001 0.000 0.298 202 V C 0.638 176.620 176.094 -0.186 0.000 1.028 202 V CA 0.202 62.449 62.300 -0.089 0.000 0.860 202 V CB 1.748 33.402 31.823 -0.281 0.000 0.991 202 V HN 1.354 nan 8.190 nan 0.000 0.427 203 G N 3.417 112.043 108.800 -0.289 0.000 2.335 203 G HA2 0.630 4.590 3.960 0.001 0.000 0.316 203 G HA3 0.630 4.590 3.960 0.001 0.000 0.316 203 G C -1.093 173.534 174.900 -0.455 0.000 1.129 203 G CA -0.258 44.712 45.100 -0.216 0.000 0.899 203 G HN 0.434 nan 8.290 nan 0.000 0.448 204 F N 1.452 121.343 119.950 -0.097 0.000 2.332 204 F HA 0.282 4.809 4.527 0.001 0.000 0.368 204 F C 1.689 177.362 175.800 -0.212 0.000 1.110 204 F CA -0.636 57.302 58.000 -0.104 0.000 1.087 204 F CB 1.890 40.962 39.000 0.120 0.000 1.235 204 F HN 0.544 nan 8.300 nan 0.000 0.470 205 Q N 1.243 120.909 119.800 -0.224 0.000 2.112 205 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 205 Q C 0.717 176.329 176.000 -0.647 0.000 0.987 205 Q CA 1.568 57.104 55.803 -0.445 0.000 0.858 205 Q CB -0.173 28.336 28.738 -0.382 0.000 0.905 205 Q HN 0.763 nan 8.270 nan 0.000 0.420 206 S N 0.272 115.584 115.700 -0.646 0.000 3.706 206 S HA -0.118 4.353 4.470 0.001 0.000 0.363 206 S C -0.741 173.159 174.600 -1.166 0.000 0.999 206 S CA 0.101 57.617 58.200 -1.141 0.000 1.143 206 S CB -1.497 61.297 63.200 -0.676 0.000 0.902 206 S HN 0.413 nan 8.310 nan 0.000 0.476 207 H N 0.704 119.389 119.070 -0.641 0.000 2.882 207 H HA 0.313 4.870 4.556 0.001 0.000 0.258 207 H C 0.107 175.267 175.328 -0.280 0.000 1.579 207 H CA -0.248 55.634 56.048 -0.276 0.000 1.340 207 H CB -0.386 29.369 29.762 -0.013 0.000 1.645 207 H HN 0.296 nan 8.280 nan 0.000 0.541 208 F N 2.724 122.704 119.950 0.050 0.000 2.396 208 F HA 0.159 4.686 4.527 0.001 0.000 0.343 208 F C 0.893 176.712 175.800 0.032 0.000 1.104 208 F CA -0.552 57.450 58.000 0.004 0.000 1.161 208 F CB 0.758 39.730 39.000 -0.047 0.000 1.146 208 F HN 0.503 nan 8.300 nan 0.000 0.522 209 N N -2.029 116.813 118.700 0.236 0.000 3.106 209 N HA 0.206 4.946 4.740 0.001 0.000 0.253 209 N C 0.015 175.601 175.510 0.127 0.000 1.506 209 N CA -0.373 52.763 53.050 0.143 0.000 0.876 209 N CB 0.508 39.052 38.487 0.094 0.000 1.452 209 N HN 0.219 nan 8.380 nan 0.000 0.542 210 S N -2.254 113.502 115.700 0.094 0.000 2.507 210 S HA 0.036 4.506 4.470 0.001 0.000 0.235 210 S C 1.504 176.169 174.600 0.108 0.000 0.988 210 S CA 1.009 59.263 58.200 0.089 0.000 0.944 210 S CB -1.109 62.131 63.200 0.067 0.000 0.762 210 S HN 0.785 nan 8.310 nan 0.000 0.526 211 G N 0.245 109.117 108.800 0.119 0.000 2.453 211 G HA2 0.230 4.191 3.960 0.001 0.000 0.215 211 G HA3 0.230 4.191 3.960 0.001 0.000 0.215 211 G C 0.454 175.490 174.900 0.227 0.000 1.147 211 G CA 0.250 45.439 45.100 0.149 0.000 0.802 211 G HN 0.553 nan 8.290 nan 0.000 0.535 212 S N 1.867 117.690 115.700 0.204 0.000 2.317 212 S HA 0.361 4.831 4.470 0.001 0.000 0.144 212 S C -2.824 171.875 174.600 0.165 0.000 1.660 212 S CA -0.765 57.549 58.200 0.190 0.000 1.273 212 S CB 2.287 65.579 63.200 0.154 0.000 1.330 212 S HN 0.175 nan 8.310 nan 0.000 0.395 213 P HA 0.111 nan 4.420 nan 0.000 0.274 213 P C -0.469 176.793 177.300 -0.063 0.000 1.231 213 P CA -0.384 62.766 63.100 0.083 0.000 0.790 213 P CB 0.562 32.295 31.700 0.056 0.000 0.951 214 Y N 2.897 122.929 120.300 -0.446 0.000 2.578 214 Y HA 0.153 4.703 4.550 0.001 0.000 0.339 214 Y C 0.076 175.725 175.900 -0.419 0.000 1.231 214 Y CA 0.440 57.963 58.100 -0.963 0.000 1.461 214 Y CB 0.289 38.005 38.460 -1.240 0.000 1.323 214 Y HN 0.373 nan 8.280 nan 0.000 0.590 215 N N 2.210 120.162 118.700 -1.245 0.000 2.235 215 N HA 0.085 4.825 4.740 0.001 0.000 0.293 215 N C 0.241 175.104 175.510 -1.077 0.000 1.083 215 N CA 0.198 52.757 53.050 -0.819 0.000 0.801 215 N CB 2.115 40.384 38.487 -0.365 0.000 1.559 215 N HN 0.810 nan 8.380 nan 0.000 0.472 216 S N 2.100 117.454 115.700 -0.577 0.000 2.440 216 S HA -0.227 4.243 4.470 0.001 0.000 0.238 216 S C 1.199 175.693 174.600 -0.177 0.000 1.010 216 S CA 1.447 59.480 58.200 -0.279 0.000 0.972 216 S CB -0.564 62.592 63.200 -0.072 0.000 0.774 216 S HN 0.782 nan 8.310 nan 0.000 0.501 217 N N 1.019 119.622 118.700 -0.161 0.000 2.571 217 N HA -0.054 4.686 4.740 0.001 0.000 0.189 217 N C 1.008 176.526 175.510 0.012 0.000 1.154 217 N CA 0.389 53.405 53.050 -0.056 0.000 0.907 217 N CB -0.959 37.542 38.487 0.024 0.000 0.977 217 N HN 0.430 nan 8.380 nan 0.000 0.449 218 F N 1.855 121.669 119.950 -0.226 0.000 2.171 218 F HA 0.032 4.559 4.527 0.001 0.000 0.300 218 F C 2.292 178.014 175.800 -0.130 0.000 1.090 218 F CA 0.889 58.801 58.000 -0.147 0.000 1.293 218 F CB -0.379 38.560 39.000 -0.101 0.000 1.013 218 F HN 0.103 nan 8.300 nan 0.000 0.486 219 R N -0.374 120.030 120.500 -0.161 0.000 2.081 219 R HA -0.140 4.200 4.340 0.001 0.000 0.235 219 R C 1.968 178.110 176.300 -0.263 0.000 1.131 219 R CA 2.051 57.986 56.100 -0.276 0.000 0.960 219 R CB -0.538 29.677 30.300 -0.142 0.000 0.856 219 R HN 0.288 nan 8.270 nan 0.000 0.436 220 T N -0.127 114.302 114.554 -0.208 0.000 2.746 220 T HA -0.096 4.254 4.350 0.001 0.000 0.267 220 T C 1.721 176.216 174.700 -0.342 0.000 1.039 220 T CA 1.794 63.720 62.100 -0.289 0.000 1.142 220 T CB -0.329 68.347 68.868 -0.319 0.000 0.866 220 T HN 0.350 nan 8.240 nan 0.000 0.444 221 T N 2.614 117.072 114.554 -0.160 0.000 2.708 221 T HA 0.022 4.372 4.350 0.001 0.000 0.266 221 T C 1.997 176.715 174.700 0.030 0.000 1.037 221 T CA 0.934 63.090 62.100 0.094 0.000 1.146 221 T CB -0.512 68.570 68.868 0.356 0.000 0.865 221 T HN 0.256 nan 8.240 nan 0.000 0.435 222 L N 0.620 121.647 121.223 -0.328 0.000 2.046 222 L HA -0.171 4.169 4.340 0.001 0.000 0.208 222 L C 2.893 179.693 176.870 -0.117 0.000 1.077 222 L CA 1.499 56.111 54.840 -0.380 0.000 0.747 222 L CB -0.609 41.072 42.059 -0.629 0.000 0.896 222 L HN 0.320 nan 8.230 nan 0.000 0.432 223 Q N -0.370 119.330 119.800 -0.166 0.000 2.119 223 Q HA -0.163 4.178 4.340 0.001 0.000 0.201 223 Q C 2.057 178.005 176.000 -0.086 0.000 0.972 223 Q CA 1.284 57.014 55.803 -0.123 0.000 0.847 223 Q CB -0.065 28.573 28.738 -0.167 0.000 0.903 223 Q HN 0.474 nan 8.270 nan 0.000 0.433 224 N N 0.014 118.619 118.700 -0.159 0.000 2.142 224 N HA -0.117 4.624 4.740 0.001 0.000 0.186 224 N C 1.400 176.968 175.510 0.097 0.000 1.023 224 N CA 1.136 54.068 53.050 -0.196 0.000 0.852 224 N CB -0.265 37.800 38.487 -0.703 0.000 0.998 224 N HN 0.169 nan 8.380 nan 0.000 0.424 225 F N 1.325 121.377 119.950 0.171 0.000 2.146 225 F HA 0.005 4.533 4.527 0.001 0.000 0.298 225 F C 2.356 178.246 175.800 0.150 0.000 1.096 225 F CA 0.911 59.080 58.000 0.281 0.000 1.275 225 F CB -0.490 38.737 39.000 0.378 0.000 1.008 225 F HN 0.003 nan 8.300 nan 0.000 0.480 226 A N -0.060 122.914 122.820 0.256 0.000 1.978 226 A HA -0.103 4.217 4.320 0.001 0.000 0.220 226 A C 2.312 179.950 177.584 0.091 0.000 1.170 226 A CA 1.594 53.715 52.037 0.139 0.000 0.636 226 A CB -1.224 17.813 19.000 0.061 0.000 0.810 226 A HN 0.296 nan 8.150 nan 0.000 0.448 227 A N -0.636 122.227 122.820 0.071 0.000 2.172 227 A HA 0.139 4.460 4.320 0.001 0.000 0.216 227 A C 1.884 179.495 177.584 0.045 0.000 1.154 227 A CA 0.998 53.058 52.037 0.039 0.000 0.701 227 A CB -0.462 18.546 19.000 0.014 0.000 0.789 227 A HN 0.482 nan 8.150 nan 0.000 0.465 228 L N -1.547 119.714 121.223 0.063 0.000 2.492 228 L HA 0.155 4.495 4.340 0.001 0.000 0.223 228 L C 1.559 178.446 176.870 0.028 0.000 1.132 228 L CA 0.656 55.505 54.840 0.015 0.000 0.850 228 L CB -0.139 41.895 42.059 -0.041 0.000 0.966 228 L HN 0.572 nan 8.230 nan 0.000 0.454 229 G N 0.793 109.626 108.800 0.055 0.000 2.141 229 G HA2 -0.180 3.781 3.960 0.001 0.000 0.195 229 G HA3 -0.180 3.781 3.960 0.001 0.000 0.195 229 G C -0.058 174.885 174.900 0.072 0.000 1.012 229 G CA -0.009 45.123 45.100 0.052 0.000 0.696 229 G HN 0.208 nan 8.290 nan 0.000 0.508 230 V N -3.222 116.755 119.914 0.106 0.000 3.001 230 V HA 0.880 5.001 4.120 0.001 0.000 0.314 230 V C -0.251 175.926 176.094 0.139 0.000 1.099 230 V CA -1.494 60.882 62.300 0.127 0.000 0.989 230 V CB 2.140 34.060 31.823 0.161 0.000 1.040 230 V HN 0.031 nan 8.190 nan 0.000 0.434 231 D N 1.420 121.897 120.400 0.129 0.000 2.354 231 D HA 0.599 5.240 4.640 0.001 0.000 0.247 231 D C -0.004 176.387 176.300 0.152 0.000 1.138 231 D CA 0.124 54.196 54.000 0.119 0.000 0.958 231 D CB 2.026 42.891 40.800 0.109 0.000 1.144 231 D HN 0.960 nan 8.370 nan 0.000 0.458 232 V N -2.931 117.064 119.914 0.135 0.000 2.914 232 V HA 0.946 5.066 4.120 0.001 0.000 0.314 232 V C -0.877 175.300 176.094 0.138 0.000 1.084 232 V CA -0.987 61.426 62.300 0.189 0.000 0.963 232 V CB 1.562 33.484 31.823 0.166 0.000 1.025 232 V HN 0.681 nan 8.190 nan 0.000 0.432 233 A N 3.524 126.467 122.820 0.205 0.000 2.520 233 A HA 0.848 5.169 4.320 0.001 0.000 0.298 233 A C -0.959 176.743 177.584 0.196 0.000 1.051 233 A CA -0.651 51.475 52.037 0.147 0.000 0.690 233 A CB 1.523 20.626 19.000 0.172 0.000 1.281 233 A HN 0.954 nan 8.150 nan 0.000 0.402 234 I N 2.975 123.614 120.570 0.116 0.000 2.291 234 I HA 0.191 4.362 4.170 0.001 0.000 0.292 234 I C 1.531 177.674 176.117 0.044 0.000 1.064 234 I CA 0.030 61.411 61.300 0.136 0.000 1.269 234 I CB 1.448 39.524 38.000 0.127 0.000 1.418 234 I HN 0.906 nan 8.210 nan 0.000 0.485 235 T N 0.910 115.454 114.554 -0.018 0.000 3.044 235 T HA 0.142 4.493 4.350 0.001 0.000 0.255 235 T C 0.841 175.428 174.700 -0.189 0.000 1.073 235 T CA 0.408 62.453 62.100 -0.091 0.000 1.125 235 T CB 0.077 68.857 68.868 -0.148 0.000 0.908 235 T HN 0.578 nan 8.240 nan 0.000 0.480 236 E N 0.847 120.834 120.200 -0.355 0.000 3.843 236 E HA 0.319 4.670 4.350 0.001 0.000 0.189 236 E C -1.050 175.305 176.600 -0.409 0.000 1.013 236 E CA -0.485 55.619 56.400 -0.495 0.000 1.395 236 E CB 0.679 29.625 29.700 -1.256 0.000 1.136 236 E HN 0.230 nan 8.360 nan 0.000 0.444 237 L N 3.003 124.137 121.223 -0.148 0.000 2.559 237 L HA 0.073 4.413 4.340 0.001 0.000 0.274 237 L C -0.671 176.298 176.870 0.164 0.000 1.205 237 L CA 0.793 55.600 54.840 -0.055 0.000 0.907 237 L CB 0.047 42.153 42.059 0.078 0.000 1.153 237 L HN 0.157 nan 8.230 nan 0.000 0.490 238 D N 4.160 124.643 120.400 0.138 0.000 2.803 238 D HA 0.490 5.130 4.640 0.001 0.000 0.218 238 D C -0.983 175.417 176.300 0.168 0.000 1.245 238 D CA -0.342 53.839 54.000 0.302 0.000 0.821 238 D CB 0.628 41.724 40.800 0.494 0.000 1.626 238 D HN 0.387 nan 8.370 nan 0.000 0.487 239 I N 0.827 121.471 120.570 0.123 0.000 2.468 239 I HA 0.217 4.388 4.170 0.001 0.000 0.285 239 I C -0.135 176.059 176.117 0.129 0.000 1.039 239 I CA -0.928 60.410 61.300 0.064 0.000 1.074 239 I CB 2.081 39.948 38.000 -0.222 0.000 1.228 239 I HN 0.385 nan 8.210 nan 0.000 0.436 240 Q N 5.238 125.112 119.800 0.124 0.000 2.264 240 Q HA 0.136 4.476 4.340 0.001 0.000 0.296 240 Q C 1.139 177.191 176.000 0.088 0.000 1.103 240 Q CA 1.492 57.355 55.803 0.099 0.000 0.967 240 Q CB 0.363 29.147 28.738 0.078 0.000 1.090 240 Q HN 1.023 nan 8.270 nan 0.000 0.379 241 G N 3.216 112.071 108.800 0.092 0.000 2.241 241 G HA2 -0.332 3.629 3.960 0.001 0.000 0.244 241 G HA3 -0.332 3.629 3.960 0.001 0.000 0.244 241 G C 0.506 175.469 174.900 0.105 0.000 0.998 241 G CA 0.141 45.287 45.100 0.076 0.000 0.621 241 G HN 1.875 nan 8.290 nan 0.000 0.519 242 A N -0.924 121.998 122.820 0.170 0.000 2.745 242 A HA 0.094 4.415 4.320 0.001 0.000 0.296 242 A C 1.293 179.021 177.584 0.240 0.000 1.500 242 A CA 1.839 54.061 52.037 0.308 0.000 0.766 242 A CB -2.004 17.166 19.000 0.282 0.000 1.030 242 A HN 2.492 nan 8.150 nan 0.000 0.489 243 S N -0.076 115.704 115.700 0.133 0.000 2.563 243 S HA 0.300 4.771 4.470 0.001 0.000 0.294 243 S C 1.553 176.225 174.600 0.120 0.000 1.279 243 S CA 0.469 58.711 58.200 0.070 0.000 1.069 243 S CB 0.529 63.737 63.200 0.013 0.000 0.828 243 S HN 1.068 nan 8.310 nan 0.000 0.497 244 S N 4.156 119.892 115.700 0.061 0.000 2.368 244 S HA -0.087 4.383 4.470 0.001 0.000 0.225 244 S C 2.186 176.826 174.600 0.067 0.000 1.030 244 S CA 1.554 59.798 58.200 0.074 0.000 0.999 244 S CB -0.413 62.800 63.200 0.022 0.000 0.844 244 S HN 0.797 nan 8.310 nan 0.000 0.459 245 S N 1.164 116.876 115.700 0.021 0.000 2.368 245 S HA -0.082 4.388 4.470 0.001 0.000 0.224 245 S C 2.123 176.690 174.600 -0.055 0.000 1.029 245 S CA 1.468 59.669 58.200 0.001 0.000 0.988 245 S CB -0.585 62.614 63.200 -0.001 0.000 0.838 245 S HN 0.595 nan 8.310 nan 0.000 0.462 246 T N 0.731 115.228 114.554 -0.096 0.000 2.777 246 T HA -0.050 4.300 4.350 0.001 0.000 0.266 246 T C 1.503 176.016 174.700 -0.311 0.000 1.040 246 T CA 1.081 63.005 62.100 -0.293 0.000 1.141 246 T CB -0.406 68.293 68.868 -0.281 0.000 0.868 246 T HN 0.339 nan 8.240 nan 0.000 0.444 247 Y N 1.565 121.791 120.300 -0.124 0.000 2.181 247 Y HA 0.026 4.577 4.550 0.001 0.000 0.288 247 Y C 2.680 178.545 175.900 -0.059 0.000 1.146 247 Y CA 0.618 58.686 58.100 -0.053 0.000 1.164 247 Y CB -0.705 37.759 38.460 0.006 0.000 0.982 247 Y HN 0.204 nan 8.280 nan 0.000 0.515 248 A N -0.485 122.393 122.820 0.095 0.000 1.930 248 A HA -0.057 4.263 4.320 0.001 0.000 0.217 248 A C 2.418 179.995 177.584 -0.011 0.000 1.175 248 A CA 1.517 53.579 52.037 0.042 0.000 0.627 248 A CB -1.161 17.855 19.000 0.028 0.000 0.815 248 A HN 0.399 nan 8.150 nan 0.000 0.443 249 A N -0.427 122.334 122.820 -0.099 0.000 1.877 249 A HA -0.022 4.299 4.320 0.001 0.000 0.216 249 A C 2.211 179.714 177.584 -0.135 0.000 1.186 249 A CA 1.833 53.787 52.037 -0.138 0.000 0.620 249 A CB -0.961 17.878 19.000 -0.268 0.000 0.822 249 A HN 0.388 nan 8.150 nan 0.000 0.443 250 V N -0.206 119.557 119.914 -0.252 0.000 2.407 250 V HA -0.218 3.902 4.120 0.001 0.000 0.248 250 V C 2.728 178.871 176.094 0.081 0.000 1.055 250 V CA 2.422 64.705 62.300 -0.028 0.000 1.049 250 V CB -1.261 30.559 31.823 -0.005 0.000 0.662 250 V HN 0.613 nan 8.190 nan 0.000 0.455 251 T N 0.315 114.924 114.554 0.092 0.000 2.746 251 T HA -0.168 4.182 4.350 0.001 0.000 0.267 251 T C 1.823 176.555 174.700 0.053 0.000 1.039 251 T CA 1.608 63.782 62.100 0.123 0.000 1.142 251 T CB -0.367 68.588 68.868 0.145 0.000 0.866 251 T HN 0.417 nan 8.240 nan 0.000 0.444 252 N N 1.207 119.923 118.700 0.027 0.000 2.309 252 N HA -0.071 4.670 4.740 0.001 0.000 0.182 252 N C 1.438 176.940 175.510 -0.014 0.000 1.018 252 N CA 0.778 53.831 53.050 0.006 0.000 0.876 252 N CB -0.293 38.197 38.487 0.005 0.000 0.972 252 N HN 0.384 nan 8.380 nan 0.000 0.434 253 D N 0.232 120.626 120.400 -0.010 0.000 2.117 253 D HA -0.098 4.543 4.640 0.001 0.000 0.198 253 D C 1.995 178.215 176.300 -0.133 0.000 0.982 253 D CA 0.532 54.488 54.000 -0.072 0.000 0.828 253 D CB -0.491 40.265 40.800 -0.072 0.000 0.967 253 D HN 0.189 nan 8.370 nan 0.000 0.464 254 c N 0.508 119.049 118.600 -0.100 0.000 2.446 254 c HA -0.020 4.551 4.570 0.001 0.000 0.277 254 c C 2.773 176.812 174.090 -0.085 0.000 1.275 254 c CA 0.248 56.508 56.329 -0.115 0.000 1.727 254 c CB -1.230 41.231 42.510 -0.082 0.000 2.010 254 c HN 0.282 nan 8.230 nan 0.000 0.486 255 L N 0.986 122.179 121.223 -0.050 0.000 2.265 255 L HA -0.069 4.272 4.340 0.001 0.000 0.215 255 L C 2.739 179.581 176.870 -0.047 0.000 1.117 255 L CA 1.391 56.208 54.840 -0.039 0.000 0.782 255 L CB -0.537 41.511 42.059 -0.018 0.000 0.914 255 L HN 0.449 nan 8.230 nan 0.000 0.441 256 A N -0.864 121.920 122.820 -0.061 0.000 2.208 256 A HA 0.166 4.486 4.320 0.001 0.000 0.209 256 A C 0.804 178.342 177.584 -0.077 0.000 1.161 256 A CA 0.221 52.220 52.037 -0.064 0.000 0.782 256 A CB 0.032 18.991 19.000 -0.068 0.000 0.816 256 A HN 0.125 nan 8.150 nan 0.000 0.477 257 V N 0.213 120.074 119.914 -0.090 0.000 2.350 257 V HA 0.203 4.324 4.120 0.001 0.000 0.285 257 V C 1.435 177.492 176.094 -0.063 0.000 1.014 257 V CA 0.164 62.410 62.300 -0.090 0.000 0.831 257 V CB 0.991 32.735 31.823 -0.132 0.000 1.000 257 V HN 0.430 nan 8.190 nan 0.000 0.433 258 S N 4.491 120.165 115.700 -0.043 0.000 2.374 258 S HA -0.168 4.303 4.470 0.001 0.000 0.227 258 S C 1.716 176.305 174.600 -0.018 0.000 1.037 258 S CA 1.776 59.960 58.200 -0.026 0.000 1.024 258 S CB -0.089 63.101 63.200 -0.016 0.000 0.861 258 S HN 0.764 nan 8.310 nan 0.000 0.456 259 R N -0.332 120.161 120.500 -0.012 0.000 2.335 259 R HA 0.190 4.531 4.340 0.001 0.000 0.223 259 R C 0.292 176.592 176.300 0.000 0.000 0.940 259 R CA -0.146 55.960 56.100 0.009 0.000 1.086 259 R CB -0.440 29.881 30.300 0.034 0.000 1.073 259 R HN 0.329 nan 8.270 nan 0.000 0.504 260 c N 1.707 120.283 118.600 -0.040 0.000 2.416 260 c HA 0.205 4.776 4.570 0.001 0.000 0.355 260 c C 1.888 175.923 174.090 -0.092 0.000 1.211 260 c CA -0.654 55.634 56.329 -0.069 0.000 1.699 260 c CB -0.980 41.459 42.510 -0.118 0.000 2.310 260 c HN 0.546 nan 8.230 nan 0.000 0.539 261 L N 5.451 126.631 121.223 -0.072 0.000 2.141 261 L HA 0.222 4.563 4.340 0.001 0.000 0.209 261 L C 1.551 178.119 176.870 -0.503 0.000 1.094 261 L CA 1.198 55.979 54.840 -0.098 0.000 0.763 261 L CB -0.757 41.376 42.059 0.123 0.000 0.908 261 L HN 0.952 nan 8.230 nan 0.000 0.437 262 G N -0.680 107.694 108.800 -0.710 0.000 2.324 262 G HA2 0.363 4.324 3.960 0.001 0.000 0.293 262 G HA3 0.363 4.324 3.960 0.001 0.000 0.293 262 G C -1.775 172.700 174.900 -0.708 0.000 1.297 262 G CA -0.801 43.589 45.100 -1.182 0.000 0.853 262 G HN -0.096 nan 8.290 nan 0.000 0.535 263 I N 0.371 120.592 120.570 -0.582 0.000 2.545 263 I HA 0.537 4.708 4.170 0.001 0.000 0.292 263 I C -0.444 175.435 176.117 -0.396 0.000 1.040 263 I CA -0.690 60.381 61.300 -0.381 0.000 1.068 263 I CB 2.682 40.416 38.000 -0.443 0.000 1.251 263 I HN 0.381 nan 8.210 nan 0.000 0.424 264 T N 5.241 119.706 114.554 -0.149 0.000 2.812 264 T HA 0.445 4.795 4.350 0.001 0.000 0.282 264 T C -0.290 174.395 174.700 -0.026 0.000 0.990 264 T CA -0.530 61.521 62.100 -0.083 0.000 0.960 264 T CB 1.617 70.516 68.868 0.050 0.000 0.948 264 T HN 0.377 nan 8.240 nan 0.000 0.438 265 V N 1.220 121.148 119.914 0.022 0.000 2.567 265 V HA 0.469 4.589 4.120 0.001 0.000 0.289 265 V C 0.269 176.495 176.094 0.220 0.000 1.049 265 V CA -1.130 61.301 62.300 0.219 0.000 0.969 265 V CB 1.249 33.317 31.823 0.407 0.000 0.995 265 V HN 1.007 nan 8.190 nan 0.000 0.471 266 W N 4.977 126.298 121.300 0.035 0.000 1.395 266 W HA 0.537 5.198 4.660 0.001 0.000 0.451 266 W C 0.594 177.145 176.519 0.053 0.000 0.619 266 W CA 0.626 57.968 57.345 -0.004 0.000 2.212 266 W CB -0.016 29.469 29.460 0.042 0.000 1.537 266 W HN 1.231 nan 8.180 nan 0.000 0.275 267 G N -0.033 108.668 108.800 -0.165 0.000 2.340 267 G HA2 -0.095 3.866 3.960 0.001 0.000 0.527 267 G HA3 -0.095 3.866 3.960 0.001 0.000 0.527 267 G C -0.544 174.344 174.900 -0.020 0.000 1.381 267 G CA -0.656 44.368 45.100 -0.126 0.000 1.001 267 G HN 0.029 nan 8.290 nan 0.000 0.626 268 V N 0.394 120.317 119.914 0.016 0.000 2.398 268 V HA 0.296 4.416 4.120 0.001 0.000 0.236 268 V C 1.543 177.763 176.094 0.211 0.000 1.054 268 V CA 1.589 63.923 62.300 0.057 0.000 1.060 268 V CB -0.434 31.253 31.823 -0.227 0.000 0.707 268 V HN 0.692 nan 8.190 nan 0.000 0.480 269 R N 0.397 121.010 120.500 0.188 0.000 2.720 269 R HA 0.310 4.651 4.340 0.001 0.000 0.272 269 R C 0.609 177.031 176.300 0.203 0.000 0.991 269 R CA -0.679 55.557 56.100 0.226 0.000 1.010 269 R CB 0.848 31.252 30.300 0.172 0.000 1.141 269 R HN 0.134 nan 8.270 nan 0.000 0.494 270 D N 0.644 121.158 120.400 0.191 0.000 2.190 270 D HA -0.159 4.482 4.640 0.001 0.000 0.200 270 D C 1.608 177.989 176.300 0.134 0.000 0.992 270 D CA 2.076 56.175 54.000 0.164 0.000 0.854 270 D CB -0.135 40.745 40.800 0.132 0.000 0.936 270 D HN 0.685 nan 8.370 nan 0.000 0.462 271 T N -1.719 112.904 114.554 0.114 0.000 3.007 271 T HA -0.089 4.262 4.350 0.001 0.000 0.270 271 T C 1.091 175.840 174.700 0.081 0.000 1.107 271 T CA 0.740 62.891 62.100 0.085 0.000 1.118 271 T CB 0.056 68.964 68.868 0.067 0.000 0.889 271 T HN -0.001 nan 8.240 nan 0.000 0.506 272 D N 1.152 121.617 120.400 0.109 0.000 2.360 272 D HA 0.153 4.794 4.640 0.001 0.000 0.210 272 D C 0.789 177.157 176.300 0.113 0.000 1.047 272 D CA 0.109 54.164 54.000 0.090 0.000 0.854 272 D CB 0.204 41.095 40.800 0.152 0.000 0.936 272 D HN 0.411 nan 8.370 nan 0.000 0.514 273 S N 1.152 116.952 115.700 0.167 0.000 2.576 273 S HA 0.038 4.509 4.470 0.001 0.000 0.276 273 S C 1.258 176.048 174.600 0.317 0.000 1.339 273 S CA -0.795 57.569 58.200 0.273 0.000 1.039 273 S CB 0.598 63.967 63.200 0.283 0.000 0.902 273 S HN 0.341 nan 8.310 nan 0.000 0.516 274 W N 5.114 126.483 121.300 0.115 0.000 2.699 274 W HA 0.166 4.827 4.660 0.001 0.000 0.249 274 W C 0.250 176.816 176.519 0.078 0.000 1.280 274 W CA 0.001 57.409 57.345 0.105 0.000 1.345 274 W CB -0.727 28.837 29.460 0.173 0.000 1.128 274 W HN 0.624 nan 8.180 nan 0.000 0.642 275 R N 1.453 121.875 120.500 -0.130 0.000 2.701 275 R HA 0.076 4.417 4.340 0.001 0.000 0.281 275 R C 1.638 177.910 176.300 -0.046 0.000 1.367 275 R CA 0.533 56.465 56.100 -0.281 0.000 1.510 275 R CB 0.404 30.360 30.300 -0.573 0.000 1.306 275 R HN 0.058 nan 8.270 nan 0.000 0.682 276 S N -0.801 114.913 115.700 0.024 0.000 2.402 276 S HA -0.155 4.315 4.470 0.001 0.000 0.233 276 S C 1.973 176.595 174.600 0.036 0.000 1.030 276 S CA 1.434 59.669 58.200 0.057 0.000 1.003 276 S CB -0.180 63.056 63.200 0.061 0.000 0.813 276 S HN 0.553 nan 8.310 nan 0.000 0.477 277 G N 1.165 109.967 108.800 0.003 0.000 2.498 277 G HA2 -0.106 3.855 3.960 0.001 0.000 0.219 277 G HA3 -0.106 3.855 3.960 0.001 0.000 0.219 277 G C 0.890 175.797 174.900 0.011 0.000 1.119 277 G CA 0.828 45.931 45.100 0.004 0.000 0.766 277 G HN 0.528 nan 8.290 nan 0.000 0.552 278 D N 0.491 120.896 120.400 0.009 0.000 2.340 278 D HA 0.053 4.693 4.640 0.001 0.000 0.217 278 D C 1.445 177.788 176.300 0.072 0.000 1.081 278 D CA 0.894 54.911 54.000 0.030 0.000 0.842 278 D CB -0.259 40.549 40.800 0.013 0.000 0.934 278 D HN 0.339 nan 8.370 nan 0.000 0.511 279 T N -0.236 114.365 114.554 0.078 0.000 3.213 279 T HA -0.159 4.191 4.350 0.001 0.000 0.427 279 T C -1.727 173.062 174.700 0.148 0.000 0.772 279 T CA 0.151 62.313 62.100 0.103 0.000 2.150 279 T CB -0.939 67.973 68.868 0.073 0.000 1.655 279 T HN 0.164 nan 8.240 nan 0.000 0.584 280 P HA 0.344 nan 4.420 nan 0.000 0.261 280 P C 0.634 178.172 177.300 0.397 0.000 1.268 280 P CA -0.274 62.990 63.100 0.273 0.000 0.833 280 P CB 0.421 32.275 31.700 0.257 0.000 1.231 281 L N -0.982 120.441 121.223 0.333 0.000 2.585 281 L HA 0.388 4.729 4.340 0.001 0.000 0.260 281 L C 1.889 178.872 176.870 0.188 0.000 1.085 281 L CA -1.039 54.009 54.840 0.346 0.000 0.913 281 L CB 0.419 42.673 42.059 0.326 0.000 1.638 281 L HN -0.296 nan 8.230 nan 0.000 0.531 282 L N -0.731 120.581 121.223 0.147 0.000 2.585 282 L HA 0.238 4.579 4.340 0.001 0.000 0.226 282 L C -0.586 176.149 176.870 -0.224 0.000 1.113 282 L CA 0.243 55.031 54.840 -0.087 0.000 0.876 282 L CB 0.161 42.154 42.059 -0.110 0.000 1.072 282 L HN 0.216 nan 8.230 nan 0.000 0.468 283 F N -0.596 119.405 119.950 0.085 0.000 2.551 283 F HA 0.328 4.855 4.527 0.001 0.000 0.316 283 F C 0.360 176.183 175.800 0.038 0.000 1.089 283 F CA -0.889 57.132 58.000 0.035 0.000 0.915 283 F CB 1.212 40.234 39.000 0.035 0.000 1.186 283 F HN -0.176 nan 8.300 nan 0.000 0.456 284 N N 0.015 118.818 118.700 0.172 0.000 2.408 284 N HA 0.280 5.021 4.740 0.001 0.000 0.260 284 N C 1.186 176.771 175.510 0.125 0.000 1.242 284 N CA 0.120 53.235 53.050 0.107 0.000 0.959 284 N CB 0.755 39.265 38.487 0.039 0.000 1.201 284 N HN 0.849 nan 8.380 nan 0.000 0.511 285 G N 0.192 109.045 108.800 0.089 0.000 2.450 285 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 285 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 285 G C 0.812 175.750 174.900 0.064 0.000 1.130 285 G CA 1.046 46.194 45.100 0.079 0.000 0.760 285 G HN 0.826 nan 8.290 nan 0.000 0.557 286 D N -0.606 119.824 120.400 0.050 0.000 2.336 286 D HA 0.230 4.870 4.640 0.001 0.000 0.229 286 D C 1.708 178.032 176.300 0.041 0.000 1.061 286 D CA 0.670 54.691 54.000 0.034 0.000 0.875 286 D CB -0.548 40.262 40.800 0.016 0.000 0.904 286 D HN 0.505 nan 8.370 nan 0.000 0.525 287 G N 0.101 108.946 108.800 0.076 0.000 2.199 287 G HA2 -0.295 3.665 3.960 0.001 0.000 0.254 287 G HA3 -0.295 3.665 3.960 0.001 0.000 0.254 287 G C 0.399 175.403 174.900 0.173 0.000 0.982 287 G CA 0.358 45.516 45.100 0.096 0.000 0.632 287 G HN 0.835 nan 8.290 nan 0.000 0.529 288 S N 0.116 115.874 115.700 0.096 0.000 2.564 288 S HA 0.568 5.038 4.470 0.001 0.000 0.278 288 S C 0.258 174.837 174.600 -0.036 0.000 1.333 288 S CA -0.150 58.064 58.200 0.023 0.000 1.048 288 S CB 1.559 64.734 63.200 -0.041 0.000 0.900 288 S HN 0.465 nan 8.310 nan 0.000 0.505 289 K N 2.147 122.417 120.400 -0.217 0.000 2.368 289 K HA 0.178 4.498 4.320 0.001 0.000 0.282 289 K C 0.197 176.612 176.600 -0.309 0.000 1.035 289 K CA -0.087 55.867 56.287 -0.556 0.000 0.973 289 K CB 0.535 32.602 32.500 -0.722 0.000 0.957 289 K HN 0.566 nan 8.250 nan 0.000 0.474 290 K N 0.945 121.171 120.400 -0.291 0.000 2.102 290 K HA 0.171 4.492 4.320 0.001 0.000 0.244 290 K C 1.167 177.718 176.600 -0.082 0.000 1.021 290 K CA -0.281 55.918 56.287 -0.148 0.000 0.913 290 K CB 0.831 33.261 32.500 -0.116 0.000 1.062 290 K HN 0.633 nan 8.250 nan 0.000 0.485 291 A N 1.207 124.005 122.820 -0.037 0.000 1.940 291 A HA -0.219 4.101 4.320 0.001 0.000 0.219 291 A C 2.138 179.736 177.584 0.023 0.000 1.176 291 A CA 2.257 54.318 52.037 0.040 0.000 0.631 291 A CB -0.916 18.114 19.000 0.050 0.000 0.814 291 A HN 0.791 nan 8.150 nan 0.000 0.446 292 A N -1.649 121.149 122.820 -0.036 0.000 2.015 292 A HA -0.068 4.253 4.320 0.001 0.000 0.219 292 A C 2.042 179.504 177.584 -0.203 0.000 1.163 292 A CA 1.528 53.512 52.037 -0.088 0.000 0.646 292 A CB -0.724 18.204 19.000 -0.120 0.000 0.806 292 A HN 0.759 nan 8.150 nan 0.000 0.448 293 Y N 1.290 121.395 120.300 -0.325 0.000 2.128 293 Y HA -0.220 4.330 4.550 0.001 0.000 0.284 293 Y C 2.564 178.308 175.900 -0.260 0.000 1.154 293 Y CA 2.474 60.340 58.100 -0.389 0.000 1.149 293 Y CB -0.718 37.417 38.460 -0.543 0.000 0.976 293 Y HN 0.294 nan 8.280 nan 0.000 0.505 294 T N 0.764 115.321 114.554 0.004 0.000 2.788 294 T HA -0.164 4.186 4.350 0.001 0.000 0.268 294 T C 2.089 176.732 174.700 -0.095 0.000 1.044 294 T CA 1.271 63.364 62.100 -0.012 0.000 1.139 294 T CB -0.723 68.192 68.868 0.078 0.000 0.867 294 T HN 0.512 nan 8.240 nan 0.000 0.454 295 A N 0.936 123.718 122.820 -0.063 0.000 1.902 295 A HA -0.033 4.287 4.320 0.001 0.000 0.217 295 A C 2.569 180.097 177.584 -0.093 0.000 1.181 295 A CA 1.273 53.291 52.037 -0.031 0.000 0.623 295 A CB -0.918 18.098 19.000 0.027 0.000 0.818 295 A HN 0.362 nan 8.150 nan 0.000 0.443 296 V N -0.414 119.385 119.914 -0.193 0.000 2.307 296 V HA -0.200 3.920 4.120 0.001 0.000 0.245 296 V C 2.474 178.384 176.094 -0.307 0.000 1.045 296 V CA 1.834 63.999 62.300 -0.224 0.000 1.024 296 V CB -0.752 30.867 31.823 -0.340 0.000 0.651 296 V HN 0.571 nan 8.190 nan 0.000 0.449 297 L N 1.090 122.036 121.223 -0.461 0.000 2.042 297 L HA -0.205 4.135 4.340 0.001 0.000 0.210 297 L C 2.326 179.079 176.870 -0.195 0.000 1.076 297 L CA 2.272 56.877 54.840 -0.393 0.000 0.749 297 L CB -1.030 40.768 42.059 -0.435 0.000 0.893 297 L HN 0.457 nan 8.230 nan 0.000 0.432 298 N N -0.432 118.183 118.700 -0.141 0.000 2.120 298 N HA -0.219 4.522 4.740 0.001 0.000 0.188 298 N C 1.763 177.237 175.510 -0.059 0.000 1.024 298 N CA 1.475 54.480 53.050 -0.075 0.000 0.852 298 N CB 0.028 38.488 38.487 -0.045 0.000 1.003 298 N HN 0.490 nan 8.380 nan 0.000 0.424 299 A N 1.669 124.453 122.820 -0.060 0.000 1.877 299 A HA -0.044 4.276 4.320 0.001 0.000 0.216 299 A C 2.447 180.011 177.584 -0.033 0.000 1.186 299 A CA 0.824 52.842 52.037 -0.032 0.000 0.620 299 A CB -0.754 18.238 19.000 -0.014 0.000 0.822 299 A HN 0.338 nan 8.150 nan 0.000 0.443 300 L N -0.150 121.040 121.223 -0.055 0.000 2.131 300 L HA -0.159 4.182 4.340 0.001 0.000 0.210 300 L C 1.499 178.347 176.870 -0.038 0.000 1.092 300 L CA 0.924 55.740 54.840 -0.040 0.000 0.759 300 L CB -0.500 41.514 42.059 -0.074 0.000 0.903 300 L HN 0.357 nan 8.230 nan 0.000 0.435 301 N N 0.258 118.928 118.700 -0.050 0.000 2.449 301 N HA 0.025 4.766 4.740 0.001 0.000 0.191 301 N C 1.187 176.682 175.510 -0.025 0.000 1.161 301 N CA 0.955 53.983 53.050 -0.037 0.000 0.863 301 N CB 0.594 39.055 38.487 -0.042 0.000 0.980 301 N HN 0.398 nan 8.380 nan 0.000 0.458 302 G N 0.120 108.907 108.800 -0.023 0.000 2.149 302 G HA2 -0.126 3.834 3.960 0.001 0.000 0.235 302 G HA3 -0.126 3.834 3.960 0.001 0.000 0.235 302 G C 0.567 175.458 174.900 -0.015 0.000 1.018 302 G CA 0.507 45.597 45.100 -0.016 0.000 0.728 302 G HN 0.697 nan 8.290 nan 0.000 0.508 314 Q N -0.757 119.095 119.800 0.088 0.000 2.306 314 Q HA 0.574 4.915 4.340 0.001 0.000 0.241 314 Q C -0.382 175.690 176.000 0.120 0.000 0.948 314 Q CA -0.071 55.813 55.803 0.135 0.000 0.886 314 Q CB 2.033 30.827 28.738 0.093 0.000 1.227 314 Q HN 0.401 nan 8.270 nan 0.000 0.457 315 I N 2.054 122.695 120.570 0.118 0.000 2.420 315 I HA 0.273 4.444 4.170 0.001 0.000 0.282 315 I C -0.446 175.762 176.117 0.153 0.000 1.019 315 I CA -0.479 60.837 61.300 0.026 0.000 1.130 315 I CB 1.248 39.085 38.000 -0.271 0.000 1.262 315 I HN 0.375 nan 8.210 nan 0.000 0.454 316 K N 4.890 125.411 120.400 0.202 0.000 2.185 316 K HA 0.550 4.871 4.320 0.001 0.000 0.269 316 K C 0.201 176.942 176.600 0.234 0.000 0.987 316 K CA -0.469 55.946 56.287 0.213 0.000 0.865 316 K CB 1.572 34.136 32.500 0.107 0.000 1.090 316 K HN 0.718 nan 8.250 nan 0.000 0.450 317 G N 2.198 111.084 108.800 0.143 0.000 2.378 317 G HA2 0.115 4.075 3.960 0.001 0.000 0.255 317 G HA3 0.115 4.075 3.960 0.001 0.000 0.255 317 G C 0.899 175.639 174.900 -0.266 0.000 1.270 317 G CA -0.670 44.218 45.100 -0.353 0.000 0.876 317 G HN 0.506 nan 8.290 nan 0.000 0.521 318 V N 3.447 123.151 119.914 -0.350 0.000 2.307 318 V HA -0.096 4.024 4.120 0.001 0.000 0.245 318 V C 2.944 178.923 176.094 -0.193 0.000 1.045 318 V CA 2.449 64.619 62.300 -0.217 0.000 1.024 318 V CB -0.822 30.876 31.823 -0.209 0.000 0.651 318 V HN 0.799 nan 8.190 nan 0.000 0.449 319 G N -0.226 108.427 108.800 -0.247 0.000 2.443 319 G HA2 -0.195 3.765 3.960 0.001 0.000 0.219 319 G HA3 -0.195 3.765 3.960 0.001 0.000 0.219 319 G C 1.779 176.594 174.900 -0.143 0.000 1.131 319 G CA 1.298 46.289 45.100 -0.182 0.000 0.775 319 G HN 0.644 nan 8.290 nan 0.000 0.547 320 S N -1.360 114.248 115.700 -0.153 0.000 2.499 320 S HA 0.367 4.838 4.470 0.001 0.000 0.225 320 S C 1.948 176.507 174.600 -0.068 0.000 1.050 320 S CA 1.120 59.261 58.200 -0.098 0.000 0.928 320 S CB 0.098 63.248 63.200 -0.083 0.000 0.803 320 S HN 1.470 nan 8.310 nan 0.000 0.506 321 G N 1.569 110.328 108.800 -0.068 0.000 2.162 321 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 321 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 321 G C 0.094 174.994 174.900 0.000 0.000 0.976 321 G CA 0.245 45.325 45.100 -0.033 0.000 0.655 321 G HN 0.612 nan 8.290 nan 0.000 0.533 322 R N -1.115 119.393 120.500 0.014 0.000 2.720 322 R HA 0.649 4.990 4.340 0.001 0.000 0.272 322 R C -0.023 176.362 176.300 0.142 0.000 0.991 322 R CA -0.424 55.714 56.100 0.063 0.000 1.010 322 R CB 1.308 31.634 30.300 0.043 0.000 1.141 322 R HN 0.197 nan 8.270 nan 0.000 0.494 323 c N 1.666 120.374 118.600 0.180 0.000 2.364 323 c HA 0.287 4.857 4.570 0.001 0.000 0.356 323 c C 0.051 174.283 174.090 0.236 0.000 1.201 323 c CA -0.705 55.752 56.329 0.214 0.000 2.227 323 c CB 0.539 43.164 42.510 0.193 0.000 2.387 323 c HN 0.591 nan 8.230 nan 0.000 0.546 324 L N 3.974 125.302 121.223 0.174 0.000 2.477 324 L HA 0.264 4.604 4.340 0.001 0.000 0.272 324 L C 0.012 177.074 176.870 0.319 0.000 1.157 324 L CA 1.246 56.121 54.840 0.060 0.000 0.889 324 L CB -0.234 41.562 42.059 -0.439 0.000 1.158 324 L HN 0.680 nan 8.230 nan 0.000 0.473 325 D N 3.924 124.490 120.400 0.277 0.000 2.879 325 D HA 0.245 4.886 4.640 0.001 0.000 0.236 325 D C -1.396 175.033 176.300 0.215 0.000 1.171 325 D CA -0.434 53.720 54.000 0.258 0.000 0.868 325 D CB 2.354 43.296 40.800 0.237 0.000 1.598 325 D HN 0.245 nan 8.370 nan 0.000 0.497 326 V N 4.616 124.622 119.914 0.153 0.000 2.368 326 V HA 0.260 4.380 4.120 0.001 0.000 0.266 326 V C -2.031 174.116 176.094 0.087 0.000 1.045 326 V CA -1.510 60.876 62.300 0.143 0.000 0.899 326 V CB 0.909 32.808 31.823 0.127 0.000 1.006 326 V HN 0.473 nan 8.190 nan 0.000 0.470 327 P HA -0.056 nan 4.420 nan 0.000 0.257 327 P C 0.508 177.810 177.300 0.003 0.000 1.153 327 P CA 0.706 63.814 63.100 0.015 0.000 0.762 327 P CB 0.015 31.740 31.700 0.042 0.000 0.743 328 N N 2.850 121.518 118.700 -0.052 0.000 2.693 328 N HA -0.292 4.448 4.740 0.001 0.000 0.249 328 N C 0.415 175.926 175.510 0.001 0.000 1.119 328 N CA 1.315 54.343 53.050 -0.036 0.000 0.717 328 N CB -1.692 36.781 38.487 -0.024 0.000 1.071 328 N HN 0.715 nan 8.380 nan 0.000 0.555 329 A N -1.448 121.396 122.820 0.040 0.000 2.832 329 A HA -0.266 4.055 4.320 0.001 0.000 0.280 329 A C 0.774 178.381 177.584 0.040 0.000 1.464 329 A CA 1.473 53.572 52.037 0.103 0.000 0.804 329 A CB -1.877 17.159 19.000 0.060 0.000 1.020 329 A HN 0.920 nan 8.150 nan 0.000 0.563 330 S N -0.540 115.190 115.700 0.051 0.000 2.572 330 S HA 0.473 4.944 4.470 0.001 0.000 0.279 330 S C 1.406 175.983 174.600 -0.037 0.000 1.341 330 S CA 0.860 59.056 58.200 -0.007 0.000 1.043 330 S CB 0.637 63.856 63.200 0.032 0.000 0.887 330 S HN 1.586 nan 8.310 nan 0.000 0.516 331 T N 0.369 114.830 114.554 -0.155 0.000 3.084 331 T HA 0.245 4.596 4.350 0.001 0.000 0.270 331 T C 0.246 174.920 174.700 -0.043 0.000 1.008 331 T CA -0.376 61.602 62.100 -0.205 0.000 0.900 331 T CB -0.281 68.328 68.868 -0.432 0.000 1.084 331 T HN 0.499 nan 8.240 nan 0.000 0.538 332 T N 3.747 118.299 114.554 -0.004 0.000 2.834 332 T HA 0.192 4.542 4.350 0.001 0.000 0.298 332 T C -0.164 174.577 174.700 0.069 0.000 0.966 332 T CA -0.277 61.834 62.100 0.019 0.000 1.141 332 T CB 0.423 69.304 68.868 0.022 0.000 0.905 332 T HN 0.285 nan 8.240 nan 0.000 0.535 333 D N 2.154 122.585 120.400 0.051 0.000 2.488 333 D HA 0.303 4.944 4.640 0.001 0.000 0.238 333 D C 1.411 177.822 176.300 0.185 0.000 1.138 333 D CA 1.262 55.332 54.000 0.116 0.000 0.873 333 D CB 0.659 41.455 40.800 -0.008 0.000 1.183 333 D HN 0.895 nan 8.370 nan 0.000 0.458 334 G N 1.911 110.865 108.800 0.257 0.000 2.175 334 G HA2 -0.256 3.704 3.960 0.001 0.000 0.244 334 G HA3 -0.256 3.704 3.960 0.001 0.000 0.244 334 G C 0.470 175.459 174.900 0.148 0.000 0.982 334 G CA 0.137 45.355 45.100 0.198 0.000 0.641 334 G HN 0.551 nan 8.290 nan 0.000 0.527 335 T N 1.560 116.204 114.554 0.150 0.000 2.727 335 T HA 0.430 4.781 4.350 0.001 0.000 0.295 335 T C 0.444 175.226 174.700 0.137 0.000 0.915 335 T CA 0.218 62.395 62.100 0.128 0.000 1.066 335 T CB 1.404 70.347 68.868 0.125 0.000 0.891 335 T HN 0.530 nan 8.240 nan 0.000 0.516 336 Q N 3.370 123.238 119.800 0.114 0.000 2.337 336 Q HA 0.309 4.650 4.340 0.001 0.000 0.270 336 Q C 0.226 176.291 176.000 0.109 0.000 1.002 336 Q CA -0.661 55.206 55.803 0.107 0.000 0.888 336 Q CB 0.581 29.373 28.738 0.090 0.000 1.222 336 Q HN 0.640 nan 8.270 nan 0.000 0.400 337 V N 1.528 121.502 119.914 0.100 0.000 3.083 337 V HA 0.431 4.551 4.120 0.001 0.000 0.306 337 V C -0.334 175.813 176.094 0.089 0.000 1.077 337 V CA -0.358 62.004 62.300 0.103 0.000 1.073 337 V CB 1.182 33.043 31.823 0.064 0.000 1.081 337 V HN 1.008 nan 8.190 nan 0.000 0.474 338 Q N 1.854 121.723 119.800 0.116 0.000 2.857 338 Q HA 0.686 5.026 4.340 0.001 0.000 0.319 338 Q C -1.578 174.528 176.000 0.176 0.000 0.963 338 Q CA -1.148 54.738 55.803 0.137 0.000 0.770 338 Q CB 2.220 31.050 28.738 0.154 0.000 1.492 338 Q HN 0.683 nan 8.270 nan 0.000 0.493 339 L N 1.084 122.424 121.223 0.195 0.000 2.325 339 L HA 0.650 4.990 4.340 0.001 0.000 0.279 339 L C -1.260 175.775 176.870 0.275 0.000 1.054 339 L CA -0.812 54.156 54.840 0.213 0.000 0.804 339 L CB 1.067 43.217 42.059 0.151 0.000 1.200 339 L HN 0.655 nan 8.230 nan 0.000 0.436 340 Y N 0.797 121.169 120.300 0.120 0.000 2.558 340 Y HA 0.186 4.737 4.550 0.001 0.000 0.333 340 Y C -0.712 175.264 175.900 0.127 0.000 1.125 340 Y CA -1.159 57.010 58.100 0.115 0.000 1.039 340 Y CB 1.590 40.133 38.460 0.139 0.000 1.331 340 Y HN 0.553 nan 8.280 nan 0.000 0.456 341 D N 2.783 123.001 120.400 -0.303 0.000 2.583 341 D HA -0.025 4.616 4.640 0.001 0.000 0.232 341 D C -0.222 176.228 176.300 0.251 0.000 1.128 341 D CA 0.828 54.784 54.000 -0.074 0.000 0.859 341 D CB 0.406 41.077 40.800 -0.214 0.000 1.169 341 D HN 0.472 nan 8.370 nan 0.000 0.481 342 c N 4.731 123.446 118.600 0.192 0.000 2.632 342 c HA 0.276 4.846 4.570 0.001 0.000 0.415 342 c C 0.641 174.903 174.090 0.286 0.000 1.332 342 c CA -0.254 56.209 56.329 0.222 0.000 1.874 342 c CB -0.882 41.705 42.510 0.128 0.000 2.596 342 c HN 0.704 nan 8.230 nan 0.000 0.590 343 H N -0.337 118.795 119.070 0.103 0.000 2.981 343 H HA 0.313 4.870 4.556 0.001 0.000 0.327 343 H C -1.036 174.327 175.328 0.059 0.000 1.342 343 H CA -0.601 55.495 56.048 0.079 0.000 1.123 343 H CB 0.982 30.802 29.762 0.096 0.000 1.851 343 H HN 0.409 nan 8.280 nan 0.000 0.531 344 S N 0.519 116.233 115.700 0.024 0.000 2.503 344 S HA 0.548 5.019 4.470 0.001 0.000 0.317 344 S C -0.437 174.087 174.600 -0.127 0.000 1.162 344 S CA 0.176 58.343 58.200 -0.053 0.000 1.124 344 S CB -1.827 61.384 63.200 0.019 0.000 1.207 344 S HN 0.851 nan 8.310 nan 0.000 0.538 345 A N 3.506 126.167 122.820 -0.264 0.000 2.547 345 A HA 0.560 4.880 4.320 0.001 0.000 0.297 345 A C 0.924 178.394 177.584 -0.191 0.000 1.056 345 A CA -0.250 51.653 52.037 -0.223 0.000 0.688 345 A CB 0.587 19.364 19.000 -0.371 0.000 1.282 345 A HN 0.754 nan 8.150 nan 0.000 0.400 346 T N -0.552 113.936 114.554 -0.111 0.000 2.881 346 T HA -0.150 4.200 4.350 0.001 0.000 0.270 346 T C 1.025 175.549 174.700 -0.293 0.000 1.068 346 T CA 1.640 63.658 62.100 -0.137 0.000 1.131 346 T CB -0.547 68.322 68.868 0.003 0.000 0.871 346 T HN 0.792 nan 8.240 nan 0.000 0.479 347 N N 1.094 119.673 118.700 -0.202 0.000 2.515 347 N HA -0.036 4.704 4.740 0.001 0.000 0.191 347 N C 1.107 176.394 175.510 -0.371 0.000 1.182 347 N CA 0.195 53.053 53.050 -0.320 0.000 0.879 347 N CB -0.160 38.316 38.487 -0.019 0.000 0.984 347 N HN 0.599 nan 8.380 nan 0.000 0.453 348 Q N -0.729 118.856 119.800 -0.357 0.000 2.140 348 Q HA 0.185 4.525 4.340 0.001 0.000 0.227 348 Q C -0.484 175.361 176.000 -0.260 0.000 0.798 348 Q CA -0.195 55.498 55.803 -0.183 0.000 0.987 348 Q CB 0.888 29.575 28.738 -0.085 0.000 1.161 348 Q HN 0.257 nan 8.270 nan 0.000 0.480 349 Q N 0.280 119.788 119.800 -0.487 0.000 2.390 349 Q HA 0.158 4.499 4.340 0.001 0.000 0.249 349 Q C -1.271 174.404 176.000 -0.543 0.000 0.996 349 Q CA 0.232 55.824 55.803 -0.352 0.000 0.899 349 Q CB 0.414 29.001 28.738 -0.252 0.000 1.216 349 Q HN 0.126 nan 8.270 nan 0.000 0.465 350 W N 1.317 122.544 121.300 -0.121 0.000 2.520 350 W HA 0.372 5.033 4.660 0.001 0.000 0.323 350 W C 0.112 176.599 176.519 -0.053 0.000 1.062 350 W CA -0.534 56.742 57.345 -0.115 0.000 1.215 350 W CB 1.527 30.898 29.460 -0.150 0.000 1.340 350 W HN 0.175 nan 8.180 nan 0.000 0.516 351 T N 2.977 117.642 114.554 0.184 0.000 2.786 351 T HA 0.156 4.507 4.350 0.001 0.000 0.283 351 T C -1.439 173.392 174.700 0.218 0.000 0.992 351 T CA -0.477 61.712 62.100 0.150 0.000 0.954 351 T CB 0.322 69.231 68.868 0.070 0.000 0.934 351 T HN 0.155 nan 8.240 nan 0.000 0.440 352 Y N 4.437 124.775 120.300 0.064 0.000 2.404 352 Y HA 0.401 4.952 4.550 0.001 0.000 0.344 352 Y C 0.967 176.899 175.900 0.053 0.000 0.995 352 Y CA -0.919 57.216 58.100 0.058 0.000 1.201 352 Y CB 0.173 38.655 38.460 0.037 0.000 1.151 352 Y HN 0.718 nan 8.280 nan 0.000 0.517 353 T N 0.808 115.208 114.554 -0.257 0.000 2.912 353 T HA 0.193 4.543 4.350 0.001 0.000 0.280 353 T C 0.783 175.253 174.700 -0.383 0.000 0.989 353 T CA -0.689 61.275 62.100 -0.227 0.000 0.995 353 T CB 1.008 69.810 68.868 -0.110 0.000 1.077 353 T HN 0.566 nan 8.240 nan 0.000 0.531 354 D N 0.481 120.762 120.400 -0.198 0.000 2.310 354 D HA 0.012 4.652 4.640 0.001 0.000 0.212 354 D C 1.966 178.175 176.300 -0.152 0.000 0.965 354 D CA 1.089 54.994 54.000 -0.158 0.000 0.879 354 D CB -0.291 40.470 40.800 -0.064 0.000 0.921 354 D HN 0.742 nan 8.370 nan 0.000 0.510 355 A N -0.306 122.423 122.820 -0.152 0.000 2.251 355 A HA 0.382 4.702 4.320 0.001 0.000 0.209 355 A C 1.728 179.222 177.584 -0.150 0.000 1.187 355 A CA 1.021 52.990 52.037 -0.113 0.000 0.823 355 A CB 0.025 18.976 19.000 -0.082 0.000 0.846 355 A HN 0.225 nan 8.150 nan 0.000 0.486 356 G N -0.512 108.115 108.800 -0.289 0.000 2.141 356 G HA2 -0.204 3.757 3.960 0.001 0.000 0.231 356 G HA3 -0.204 3.757 3.960 0.001 0.000 0.231 356 G C -0.187 174.717 174.900 0.007 0.000 0.984 356 G CA 0.248 45.198 45.100 -0.250 0.000 0.660 356 G HN 0.621 nan 8.290 nan 0.000 0.525 357 E N -0.676 119.507 120.200 -0.029 0.000 2.318 357 E HA 0.673 5.023 4.350 0.001 0.000 0.265 357 E C 0.166 176.938 176.600 0.286 0.000 1.069 357 E CA -0.581 55.931 56.400 0.187 0.000 0.893 357 E CB 1.306 31.066 29.700 0.100 0.000 1.076 357 E HN 0.204 nan 8.360 nan 0.000 0.414 358 L N 2.606 124.034 121.223 0.340 0.000 2.337 358 L HA 0.367 4.707 4.340 0.001 0.000 0.269 358 L C -0.144 176.946 176.870 0.368 0.000 1.018 358 L CA -0.349 54.660 54.840 0.281 0.000 0.876 358 L CB 0.637 42.661 42.059 -0.059 0.000 1.236 358 L HN 0.302 nan 8.230 nan 0.000 0.436 359 R N 1.737 122.405 120.500 0.279 0.000 2.500 359 R HA 0.680 5.021 4.340 0.001 0.000 0.277 359 R C -0.867 175.424 176.300 -0.014 0.000 1.026 359 R CA -0.564 55.635 56.100 0.165 0.000 1.058 359 R CB 2.626 32.978 30.300 0.087 0.000 1.078 359 R HN 0.262 nan 8.270 nan 0.000 0.509 360 V N 3.313 123.091 119.914 -0.226 0.000 2.888 360 V HA 0.223 4.344 4.120 0.001 0.000 0.309 360 V C -1.098 174.748 176.094 -0.414 0.000 1.114 360 V CA -0.419 61.462 62.300 -0.698 0.000 0.940 360 V CB 1.316 32.261 31.823 -1.464 0.000 1.021 360 V HN 0.919 nan 8.190 nan 0.000 0.426 361 Y N 4.040 124.208 120.300 -0.220 0.000 4.881 361 Y HA -0.227 4.323 4.550 0.001 0.000 0.241 361 Y C 1.702 177.554 175.900 -0.081 0.000 0.985 361 Y CA 1.614 59.633 58.100 -0.135 0.000 1.976 361 Y CB -1.921 36.470 38.460 -0.114 0.000 1.528 361 Y HN 1.756 nan 8.280 nan 0.000 0.581 362 G N -0.686 108.132 108.800 0.030 0.000 2.417 362 G HA2 -0.388 3.572 3.960 0.001 0.000 0.233 362 G HA3 -0.388 3.572 3.960 0.001 0.000 0.233 362 G C 0.551 175.481 174.900 0.050 0.000 1.103 362 G CA 0.754 45.874 45.100 0.032 0.000 0.647 362 G HN 0.496 nan 8.290 nan 0.000 0.512 363 D N 0.221 120.667 120.400 0.078 0.000 2.556 363 D HA 0.278 4.918 4.640 0.001 0.000 0.237 363 D C 0.370 176.735 176.300 0.108 0.000 1.296 363 D CA -0.014 54.034 54.000 0.080 0.000 0.807 363 D CB 0.192 41.028 40.800 0.060 0.000 1.084 363 D HN 0.226 nan 8.370 nan 0.000 0.510 364 K N 0.063 120.544 120.400 0.134 0.000 2.156 364 K HA 0.515 4.836 4.320 0.001 0.000 0.254 364 K C -0.788 175.925 176.600 0.188 0.000 0.950 364 K CA -0.554 55.838 56.287 0.175 0.000 0.849 364 K CB 1.883 34.532 32.500 0.247 0.000 1.100 364 K HN -0.026 nan 8.250 nan 0.000 0.434 365 c N 2.077 120.831 118.600 0.257 0.000 2.507 365 c HA 0.356 4.927 4.570 0.001 0.000 0.319 365 c C -0.175 174.134 174.090 0.365 0.000 1.208 365 c CA -0.965 55.545 56.329 0.301 0.000 1.619 365 c CB 1.012 43.686 42.510 0.272 0.000 2.230 365 c HN 0.746 nan 8.230 nan 0.000 0.492 366 L N 4.211 125.659 121.223 0.375 0.000 2.513 366 L HA 0.283 4.623 4.340 0.001 0.000 0.272 366 L C 0.024 177.172 176.870 0.462 0.000 1.187 366 L CA 1.388 56.373 54.840 0.242 0.000 0.895 366 L CB -0.012 41.888 42.059 -0.265 0.000 1.147 366 L HN 0.669 nan 8.230 nan 0.000 0.483 367 D N 4.367 125.003 120.400 0.393 0.000 2.780 367 D HA 0.507 5.148 4.640 0.001 0.000 0.242 367 D C -1.365 175.123 176.300 0.314 0.000 1.135 367 D CA -0.486 53.736 54.000 0.370 0.000 0.859 367 D CB 2.155 43.138 40.800 0.304 0.000 1.530 367 D HN 0.688 nan 8.370 nan 0.000 0.493 368 A N 2.300 125.266 122.820 0.243 0.000 2.260 368 A HA 0.586 4.907 4.320 0.001 0.000 0.308 368 A C 0.720 178.343 177.584 0.066 0.000 1.254 368 A CA -0.095 52.042 52.037 0.166 0.000 0.874 368 A CB 1.084 20.134 19.000 0.083 0.000 1.153 368 A HN 0.581 nan 8.150 nan 0.000 0.527 369 A N 2.264 125.121 122.820 0.060 0.000 2.252 369 A HA 0.507 4.827 4.320 0.001 0.000 0.207 369 A C 1.068 178.657 177.584 0.007 0.000 1.194 369 A CA 1.147 53.193 52.037 0.015 0.000 0.809 369 A CB -0.550 18.468 19.000 0.029 0.000 0.814 369 A HN 1.912 nan 8.150 nan 0.000 0.482 370 G N -2.421 106.387 108.800 0.013 0.000 2.428 370 G HA2 0.373 4.333 3.960 0.001 0.000 0.305 370 G HA3 0.373 4.333 3.960 0.001 0.000 0.305 370 G C 0.242 175.138 174.900 -0.006 0.000 1.260 370 G CA 0.637 45.739 45.100 0.003 0.000 0.853 370 G HN 0.498 nan 8.290 nan 0.000 0.480 371 T N -2.687 111.860 114.554 -0.013 0.000 2.975 371 T HA 0.493 4.843 4.350 0.001 0.000 0.261 371 T C 1.118 175.800 174.700 -0.030 0.000 0.984 371 T CA 1.175 63.260 62.100 -0.026 0.000 0.911 371 T CB 0.649 69.497 68.868 -0.033 0.000 1.127 371 T HN 1.244 nan 8.240 nan 0.000 0.514 372 G N 1.277 110.060 108.800 -0.028 0.000 2.531 372 G HA2 0.511 4.471 3.960 0.001 0.000 0.313 372 G HA3 0.511 4.471 3.960 0.001 0.000 0.313 372 G C -0.574 174.286 174.900 -0.067 0.000 1.238 372 G CA -0.875 44.193 45.100 -0.053 0.000 0.994 372 G HN 0.204 nan 8.290 nan 0.000 0.493 373 N N -0.259 118.352 118.700 -0.148 0.000 2.412 373 N HA 0.263 5.003 4.740 0.001 0.000 0.254 373 N C 1.285 176.775 175.510 -0.034 0.000 1.232 373 N CA 1.484 54.395 53.050 -0.232 0.000 0.880 373 N CB 1.115 39.268 38.487 -0.557 0.000 1.076 373 N HN 1.143 nan 8.380 nan 0.000 0.458 374 G N 0.851 109.711 108.800 0.099 0.000 2.195 374 G HA2 -0.288 3.673 3.960 0.001 0.000 0.246 374 G HA3 -0.288 3.673 3.960 0.001 0.000 0.246 374 G C 0.250 175.208 174.900 0.096 0.000 0.984 374 G CA 0.334 45.513 45.100 0.133 0.000 0.633 374 G HN 0.626 nan 8.290 nan 0.000 0.525 375 T N 1.721 116.321 114.554 0.076 0.000 2.908 375 T HA 0.322 4.672 4.350 0.001 0.000 0.301 375 T C 0.680 175.436 174.700 0.093 0.000 1.019 375 T CA 0.808 62.950 62.100 0.070 0.000 1.152 375 T CB 1.048 69.951 68.868 0.059 0.000 0.966 375 T HN 0.558 nan 8.240 nan 0.000 0.540 376 K N 3.216 123.666 120.400 0.083 0.000 2.368 376 K HA 0.240 4.561 4.320 0.001 0.000 0.282 376 K C -0.843 175.820 176.600 0.105 0.000 1.035 376 K CA -0.429 55.911 56.287 0.089 0.000 0.973 376 K CB 0.395 32.942 32.500 0.079 0.000 0.957 376 K HN 0.297 nan 8.250 nan 0.000 0.474 377 V N 5.921 125.895 119.914 0.100 0.000 2.398 377 V HA 0.218 4.338 4.120 0.001 0.000 0.286 377 V C 0.076 176.223 176.094 0.088 0.000 1.026 377 V CA -0.363 61.998 62.300 0.103 0.000 0.868 377 V CB 1.033 32.873 31.823 0.027 0.000 0.982 377 V HN 1.003 nan 8.190 nan 0.000 0.443 378 Q N 5.509 125.388 119.800 0.132 0.000 3.019 378 Q HA 0.709 5.050 4.340 0.001 0.000 0.337 378 Q C -1.062 175.072 176.000 0.224 0.000 0.900 378 Q CA -0.987 54.913 55.803 0.162 0.000 0.800 378 Q CB 2.560 31.398 28.738 0.167 0.000 1.437 378 Q HN 0.646 nan 8.270 nan 0.000 0.505 379 I N -2.042 118.685 120.570 0.262 0.000 2.562 379 I HA 0.783 4.953 4.170 0.001 0.000 0.301 379 I C -1.513 174.824 176.117 0.366 0.000 1.003 379 I CA -1.065 60.422 61.300 0.312 0.000 1.127 379 I CB 1.876 40.051 38.000 0.292 0.000 1.304 379 I HN 0.702 nan 8.210 nan 0.000 0.446 380 Y N 2.537 122.963 120.300 0.209 0.000 2.521 380 Y HA 0.403 4.954 4.550 0.001 0.000 0.332 380 Y C -0.363 175.666 175.900 0.215 0.000 1.121 380 Y CA -0.607 57.611 58.100 0.197 0.000 1.037 380 Y CB 2.197 40.791 38.460 0.224 0.000 1.330 380 Y HN 0.782 nan 8.280 nan 0.000 0.452 381 S N 2.883 118.522 115.700 -0.103 0.000 2.558 381 S HA 0.039 4.510 4.470 0.001 0.000 0.293 381 S C -0.422 174.336 174.600 0.263 0.000 1.292 381 S CA -0.105 58.109 58.200 0.023 0.000 1.063 381 S CB -0.285 62.847 63.200 -0.113 0.000 0.831 381 S HN 0.645 nan 8.310 nan 0.000 0.499 382 c N 5.580 124.321 118.600 0.235 0.000 2.648 382 c HA 0.176 4.746 4.570 0.001 0.000 0.419 382 c C 1.480 175.763 174.090 0.323 0.000 1.352 382 c CA -0.454 56.025 56.329 0.249 0.000 1.816 382 c CB -1.037 41.560 42.510 0.146 0.000 2.598 382 c HN 1.070 nan 8.230 nan 0.000 0.598 383 W N 1.053 122.426 121.300 0.122 0.000 1.857 383 W HA 0.378 5.038 4.660 0.001 0.000 0.244 383 W C 0.688 177.251 176.519 0.073 0.000 0.859 383 W CA 0.205 57.607 57.345 0.096 0.000 1.112 383 W CB -0.734 28.801 29.460 0.124 0.000 0.967 383 W HN 0.929 nan 8.180 nan 0.000 0.524 384 G N 1.369 109.889 108.800 -0.467 0.000 2.176 384 G HA2 -0.143 3.817 3.960 0.001 0.000 0.232 384 G HA3 -0.143 3.817 3.960 0.001 0.000 0.232 384 G C 0.586 174.976 174.900 -0.851 0.000 0.986 384 G CA -0.183 44.624 45.100 -0.488 0.000 0.643 384 G HN 0.646 nan 8.290 nan 0.000 0.522 385 G N -0.287 107.464 108.800 -1.748 0.000 2.544 385 G HA2 0.427 4.387 3.960 0.001 0.000 0.242 385 G HA3 0.427 4.387 3.960 0.001 0.000 0.242 385 G C 0.553 175.081 174.900 -0.620 0.000 1.247 385 G CA 0.412 44.681 45.100 -1.385 0.000 0.840 385 G HN 0.052 nan 8.290 nan 0.000 0.578 386 D N 0.035 120.208 120.400 -0.378 0.000 2.350 386 D HA -0.116 4.525 4.640 0.001 0.000 0.216 386 D C 2.024 178.108 176.300 -0.359 0.000 0.968 386 D CA 0.655 54.471 54.000 -0.305 0.000 0.894 386 D CB 0.173 40.850 40.800 -0.205 0.000 0.909 386 D HN 0.583 nan 8.370 nan 0.000 0.520 387 N N 0.183 118.703 118.700 -0.301 0.000 2.461 387 N HA -0.097 4.644 4.740 0.001 0.000 0.188 387 N C 0.722 176.034 175.510 -0.330 0.000 1.134 387 N CA 0.241 53.114 53.050 -0.295 0.000 0.878 387 N CB 0.074 38.495 38.487 -0.109 0.000 0.972 387 N HN 0.254 nan 8.380 nan 0.000 0.456 388 Q N -0.213 119.378 119.800 -0.349 0.000 2.139 388 Q HA 0.257 4.597 4.340 0.001 0.000 0.219 388 Q C -0.520 175.323 176.000 -0.261 0.000 0.805 388 Q CA -0.057 55.654 55.803 -0.153 0.000 1.024 388 Q CB 0.973 29.652 28.738 -0.098 0.000 1.163 388 Q HN 0.260 nan 8.270 nan 0.000 0.485 389 K N 0.344 120.379 120.400 -0.607 0.000 2.207 389 K HA 0.485 4.805 4.320 0.001 0.000 0.255 389 K C -1.405 174.735 176.600 -0.767 0.000 0.941 389 K CA -0.386 55.634 56.287 -0.445 0.000 0.825 389 K CB 1.361 33.693 32.500 -0.279 0.000 1.119 389 K HN -0.095 nan 8.250 nan 0.000 0.430 390 W N 1.079 122.413 121.300 0.056 0.000 3.033 390 W HA 0.461 5.121 4.660 0.001 0.000 0.336 390 W C -0.391 176.197 176.519 0.115 0.000 1.173 390 W CA -0.841 56.536 57.345 0.053 0.000 1.185 390 W CB 1.216 30.681 29.460 0.009 0.000 1.425 390 W HN 0.182 nan 8.180 nan 0.000 0.536 391 R N 2.252 122.899 120.500 0.244 0.000 2.387 391 R HA 0.518 4.858 4.340 0.001 0.000 0.314 391 R C -0.841 175.494 176.300 0.059 0.000 0.958 391 R CA -0.957 55.233 56.100 0.151 0.000 0.846 391 R CB 1.273 31.623 30.300 0.082 0.000 1.147 391 R HN 0.417 nan 8.270 nan 0.000 0.447 392 L N 4.092 125.283 121.223 -0.054 0.000 2.328 392 L HA 0.248 4.589 4.340 0.001 0.000 0.280 392 L C 0.007 176.846 176.870 -0.052 0.000 1.111 392 L CA -0.668 54.086 54.840 -0.144 0.000 0.909 392 L CB -0.079 41.761 42.059 -0.365 0.000 1.277 392 L HN 0.419 nan 8.230 nan 0.000 0.433 393 N N 0.831 119.527 118.700 -0.006 0.000 2.482 393 N HA 0.004 4.744 4.740 0.001 0.000 0.260 393 N C 1.290 176.800 175.510 -0.001 0.000 1.236 393 N CA 0.108 53.164 53.050 0.009 0.000 0.938 393 N CB 1.428 39.932 38.487 0.028 0.000 1.128 393 N HN 0.543 nan 8.380 nan 0.000 0.448 394 S N -0.031 115.667 115.700 -0.002 0.000 2.419 394 S HA -0.193 4.278 4.470 0.001 0.000 0.233 394 S C 0.950 175.548 174.600 -0.004 0.000 1.016 394 S CA 1.181 59.377 58.200 -0.007 0.000 0.974 394 S CB -0.218 62.976 63.200 -0.010 0.000 0.786 394 S HN 0.716 nan 8.310 nan 0.000 0.492 395 D N 0.710 121.112 120.400 0.002 0.000 2.352 395 D HA 0.216 4.857 4.640 0.001 0.000 0.232 395 D C 1.414 177.715 176.300 0.002 0.000 1.055 395 D CA 0.678 54.678 54.000 -0.001 0.000 0.891 395 D CB -0.693 40.107 40.800 0.001 0.000 0.897 395 D HN 0.618 nan 8.370 nan 0.000 0.529 396 G N -0.020 108.790 108.800 0.017 0.000 2.195 396 G HA2 -0.279 3.682 3.960 0.001 0.000 0.246 396 G HA3 -0.279 3.682 3.960 0.001 0.000 0.246 396 G C 0.404 175.373 174.900 0.115 0.000 0.984 396 G CA 0.359 45.483 45.100 0.041 0.000 0.633 396 G HN 0.829 nan 8.290 nan 0.000 0.525 397 S N -0.149 115.610 115.700 0.099 0.000 2.617 397 S HA 0.746 5.217 4.470 0.001 0.000 0.269 397 S C 0.039 174.726 174.600 0.145 0.000 1.292 397 S CA -0.496 57.803 58.200 0.166 0.000 1.010 397 S CB 1.857 65.121 63.200 0.107 0.000 0.944 397 S HN 0.643 nan 8.310 nan 0.000 0.536 398 I N 2.029 122.696 120.570 0.163 0.000 2.411 398 I HA 0.330 4.500 4.170 0.001 0.000 0.284 398 I C -1.087 175.134 176.117 0.173 0.000 1.012 398 I CA -0.872 60.460 61.300 0.053 0.000 1.119 398 I CB 1.809 39.678 38.000 -0.219 0.000 1.261 398 I HN 0.409 nan 8.210 nan 0.000 0.448 399 V N 4.791 124.825 119.914 0.201 0.000 2.483 399 V HA 0.515 4.635 4.120 0.001 0.000 0.295 399 V C 0.808 177.033 176.094 0.217 0.000 1.035 399 V CA -0.665 61.757 62.300 0.203 0.000 0.896 399 V CB 1.637 33.514 31.823 0.090 0.000 0.986 399 V HN 0.842 nan 8.190 nan 0.000 0.447 400 G N 2.584 111.445 108.800 0.102 0.000 2.380 400 G HA2 0.373 4.333 3.960 0.001 0.000 0.262 400 G HA3 0.373 4.333 3.960 0.001 0.000 0.262 400 G C 0.903 175.619 174.900 -0.306 0.000 1.243 400 G CA -0.283 44.567 45.100 -0.416 0.000 0.865 400 G HN 0.548 nan 8.290 nan 0.000 0.513 401 V N 2.012 121.693 119.914 -0.388 0.000 2.295 401 V HA -0.254 3.867 4.120 0.001 0.000 0.246 401 V C 2.865 178.834 176.094 -0.208 0.000 1.049 401 V CA 2.409 64.561 62.300 -0.248 0.000 1.024 401 V CB -0.635 31.042 31.823 -0.244 0.000 0.648 401 V HN 0.873 nan 8.190 nan 0.000 0.447 402 Q N 0.208 119.858 119.800 -0.250 0.000 2.079 402 Q HA -0.192 4.148 4.340 0.001 0.000 0.200 402 Q C 2.373 178.296 176.000 -0.128 0.000 0.974 402 Q CA 2.215 57.917 55.803 -0.169 0.000 0.840 402 Q CB -0.090 28.545 28.738 -0.172 0.000 0.898 402 Q HN 0.771 nan 8.270 nan 0.000 0.430 403 S N -1.775 113.837 115.700 -0.146 0.000 2.439 403 S HA 0.140 4.611 4.470 0.001 0.000 0.224 403 S C 1.496 176.055 174.600 -0.068 0.000 1.029 403 S CA 0.729 58.874 58.200 -0.092 0.000 0.946 403 S CB 0.213 63.367 63.200 -0.077 0.000 0.797 403 S HN 0.672 nan 8.310 nan 0.000 0.504 404 G N 1.028 109.784 108.800 -0.074 0.000 2.155 404 G HA2 -0.217 3.744 3.960 0.001 0.000 0.257 404 G HA3 -0.217 3.744 3.960 0.001 0.000 0.257 404 G C -0.083 174.811 174.900 -0.010 0.000 0.983 404 G CA 0.607 45.680 45.100 -0.045 0.000 0.676 404 G HN 0.559 nan 8.290 nan 0.000 0.528 405 L N -0.521 120.707 121.223 0.008 0.000 2.352 405 L HA 0.602 4.943 4.340 0.001 0.000 0.269 405 L C 0.849 177.798 176.870 0.131 0.000 1.034 405 L CA -1.204 53.669 54.840 0.054 0.000 0.806 405 L CB 1.668 43.751 42.059 0.039 0.000 1.244 405 L HN 0.164 nan 8.230 nan 0.000 0.447 406 c N 1.742 120.438 118.600 0.159 0.000 2.405 406 c HA 0.376 4.946 4.570 0.001 0.000 0.365 406 c C 0.560 174.791 174.090 0.235 0.000 1.233 406 c CA -0.761 55.689 56.329 0.202 0.000 2.230 406 c CB 0.648 43.267 42.510 0.182 0.000 2.443 406 c HN 0.516 nan 8.230 nan 0.000 0.556 407 L N 3.528 124.883 121.223 0.220 0.000 2.455 407 L HA 0.202 4.542 4.340 0.001 0.000 0.272 407 L C 0.243 177.309 176.870 0.326 0.000 1.174 407 L CA 0.993 55.922 54.840 0.150 0.000 0.869 407 L CB 0.111 42.066 42.059 -0.172 0.000 1.130 407 L HN 0.693 nan 8.230 nan 0.000 0.474 408 D N 3.063 123.624 120.400 0.267 0.000 2.936 408 D HA 0.349 4.989 4.640 0.001 0.000 0.238 408 D C -0.952 175.453 176.300 0.174 0.000 1.248 408 D CA -0.494 53.636 54.000 0.216 0.000 0.903 408 D CB 2.219 43.123 40.800 0.174 0.000 1.544 408 D HN 0.510 nan 8.370 nan 0.000 0.543 409 A N 3.714 126.607 122.820 0.122 0.000 2.395 409 A HA 0.364 4.685 4.320 0.001 0.000 0.286 409 A C 0.537 178.130 177.584 0.014 0.000 1.193 409 A CA -0.435 51.653 52.037 0.084 0.000 0.852 409 A CB 0.194 19.204 19.000 0.017 0.000 1.118 409 A HN 0.451 nan 8.150 nan 0.000 0.524 410 V N 3.157 123.090 119.914 0.032 0.000 2.644 410 V HA 0.144 4.265 4.120 0.001 0.000 0.303 410 V C 1.745 177.819 176.094 -0.034 0.000 1.058 410 V CA 1.889 64.191 62.300 0.002 0.000 1.228 410 V CB -0.546 31.296 31.823 0.033 0.000 0.861 410 V HN 1.899 nan 8.190 nan 0.000 0.484 411 G N 3.974 112.724 108.800 -0.082 0.000 2.180 411 G HA2 -0.060 3.900 3.960 0.001 0.000 0.263 411 G HA3 -0.060 3.900 3.960 0.001 0.000 0.263 411 G C 1.147 175.996 174.900 -0.086 0.000 0.989 411 G CA 0.673 45.721 45.100 -0.087 0.000 0.692 411 G HN 2.478 nan 8.290 nan 0.000 0.526 412 G N -1.602 107.141 108.800 -0.095 0.000 2.143 412 G HA2 0.182 4.142 3.960 0.001 0.000 0.248 412 G HA3 0.182 4.142 3.960 0.001 0.000 0.248 412 G C 1.336 176.193 174.900 -0.071 0.000 0.991 412 G CA 0.898 45.942 45.100 -0.094 0.000 0.689 412 G HN 2.140 nan 8.290 nan 0.000 0.522 413 G N -0.696 108.075 108.800 -0.049 0.000 2.484 413 G HA2 0.510 4.470 3.960 0.001 0.000 0.235 413 G HA3 0.510 4.470 3.960 0.001 0.000 0.235 413 G C 1.056 175.934 174.900 -0.037 0.000 1.282 413 G CA 1.104 46.185 45.100 -0.032 0.000 0.857 413 G HN 1.324 nan 8.290 nan 0.000 0.571 414 T N -1.730 112.803 114.554 -0.036 0.000 2.975 414 T HA 0.554 4.905 4.350 0.001 0.000 0.261 414 T C 1.085 175.765 174.700 -0.032 0.000 0.984 414 T CA 0.629 62.703 62.100 -0.043 0.000 0.911 414 T CB 0.250 69.083 68.868 -0.058 0.000 1.127 414 T HN 0.894 nan 8.240 nan 0.000 0.514 415 A N 2.212 125.017 122.820 -0.024 0.000 2.313 415 A HA 0.539 4.859 4.320 0.001 0.000 0.261 415 A C 0.283 177.858 177.584 -0.015 0.000 1.090 415 A CA -0.648 51.371 52.037 -0.030 0.000 0.807 415 A CB -0.020 18.968 19.000 -0.021 0.000 1.055 415 A HN 0.390 nan 8.150 nan 0.000 0.492 416 N N -0.077 118.589 118.700 -0.057 0.000 2.412 416 N HA 0.278 5.019 4.740 0.001 0.000 0.254 416 N C 1.158 176.730 175.510 0.103 0.000 1.232 416 N CA 1.743 54.774 53.050 -0.031 0.000 0.880 416 N CB 0.818 39.174 38.487 -0.217 0.000 1.076 416 N HN 1.278 nan 8.380 nan 0.000 0.458 417 G N 0.858 109.777 108.800 0.198 0.000 2.194 417 G HA2 -0.276 3.684 3.960 0.001 0.000 0.236 417 G HA3 -0.276 3.684 3.960 0.001 0.000 0.236 417 G C 0.167 175.134 174.900 0.111 0.000 0.987 417 G CA 0.224 45.420 45.100 0.159 0.000 0.635 417 G HN 0.610 nan 8.290 nan 0.000 0.520 418 T N 2.661 117.272 114.554 0.095 0.000 2.867 418 T HA 0.449 4.800 4.350 0.001 0.000 0.297 418 T C 1.052 175.808 174.700 0.093 0.000 0.989 418 T CA 0.178 62.323 62.100 0.075 0.000 1.159 418 T CB 0.756 69.657 68.868 0.056 0.000 0.928 418 T HN 0.375 nan 8.240 nan 0.000 0.538 419 L N 3.660 124.932 121.223 0.081 0.000 2.453 419 L HA 0.414 4.754 4.340 0.001 0.000 0.261 419 L C 0.308 177.231 176.870 0.089 0.000 1.179 419 L CA -0.938 53.952 54.840 0.085 0.000 0.813 419 L CB 0.348 42.452 42.059 0.075 0.000 1.110 419 L HN 0.387 nan 8.230 nan 0.000 0.466 420 I N 1.575 122.194 120.570 0.081 0.000 2.377 420 I HA 0.344 4.515 4.170 0.001 0.000 0.293 420 I C -0.001 176.162 176.117 0.077 0.000 0.987 420 I CA -0.246 61.101 61.300 0.077 0.000 1.185 420 I CB 1.403 39.406 38.000 0.004 0.000 1.341 420 I HN 0.742 nan 8.210 nan 0.000 0.455 421 Q N 5.812 125.676 119.800 0.107 0.000 2.683 421 Q HA 0.724 5.065 4.340 0.001 0.000 0.302 421 Q C -1.782 174.318 176.000 0.167 0.000 1.042 421 Q CA -0.994 54.887 55.803 0.131 0.000 0.773 421 Q CB 2.462 31.289 28.738 0.149 0.000 1.508 421 Q HN 0.459 nan 8.270 nan 0.000 0.459 422 L N 1.137 122.467 121.223 0.179 0.000 2.325 422 L HA 0.626 4.967 4.340 0.001 0.000 0.279 422 L C -1.295 175.710 176.870 0.225 0.000 1.054 422 L CA -0.821 54.133 54.840 0.190 0.000 0.804 422 L CB 1.061 43.203 42.059 0.139 0.000 1.200 422 L HN 0.659 nan 8.230 nan 0.000 0.436 423 Y N 0.447 120.795 120.300 0.080 0.000 2.558 423 Y HA 0.149 4.700 4.550 0.001 0.000 0.333 423 Y C -0.064 175.867 175.900 0.052 0.000 1.125 423 Y CA -1.023 57.111 58.100 0.057 0.000 1.039 423 Y CB 1.825 40.316 38.460 0.052 0.000 1.331 423 Y HN 0.656 nan 8.280 nan 0.000 0.456 424 S N 2.060 117.727 115.700 -0.055 0.000 2.593 424 S HA 0.023 4.493 4.470 0.001 0.000 0.300 424 S C 0.081 174.791 174.600 0.183 0.000 1.267 424 S CA -0.479 57.746 58.200 0.043 0.000 1.065 424 S CB -0.548 62.636 63.200 -0.026 0.000 0.807 424 S HN 0.693 nan 8.310 nan 0.000 0.499 425 c N 4.050 122.718 118.600 0.113 0.000 2.611 425 c HA 0.377 4.947 4.570 0.001 0.000 0.416 425 c C 1.929 176.073 174.090 0.089 0.000 1.366 425 c CA 0.178 56.570 56.329 0.105 0.000 1.761 425 c CB -0.450 42.104 42.510 0.073 0.000 2.619 425 c HN 1.112 nan 8.230 nan 0.000 0.606 426 S N 0.643 116.387 115.700 0.073 0.000 2.787 426 S HA 0.096 4.567 4.470 0.001 0.000 0.255 426 S C 0.488 175.096 174.600 0.012 0.000 1.051 426 S CA 0.015 58.242 58.200 0.045 0.000 1.124 426 S CB -0.159 63.067 63.200 0.044 0.000 1.104 426 S HN 0.834 nan 8.310 nan 0.000 0.623 427 N N 1.183 119.888 118.700 0.007 0.000 2.878 427 N HA -0.108 4.632 4.740 0.001 0.000 0.247 427 N C 0.467 175.952 175.510 -0.042 0.000 1.021 427 N CA 0.990 54.032 53.050 -0.014 0.000 0.873 427 N CB -1.735 36.745 38.487 -0.012 0.000 1.128 427 N HN 0.734 nan 8.380 nan 0.000 0.571 428 G N 0.214 108.984 108.800 -0.049 0.000 2.569 428 G HA2 0.314 4.275 3.960 0.001 0.000 0.249 428 G HA3 0.314 4.275 3.960 0.001 0.000 0.249 428 G C 1.051 175.874 174.900 -0.129 0.000 1.216 428 G CA 0.384 45.436 45.100 -0.081 0.000 0.845 428 G HN 0.273 nan 8.290 nan 0.000 0.568 429 S N 0.111 115.723 115.700 -0.146 0.000 2.474 429 S HA -0.156 4.315 4.470 0.001 0.000 0.235 429 S C 1.657 176.076 174.600 -0.302 0.000 0.997 429 S CA 1.143 59.223 58.200 -0.200 0.000 0.949 429 S CB -0.226 62.877 63.200 -0.161 0.000 0.766 429 S HN 0.732 nan 8.310 nan 0.000 0.517 430 N N 0.896 119.440 118.700 -0.261 0.000 2.383 430 N HA 0.029 4.770 4.740 0.001 0.000 0.192 430 N C 0.837 176.145 175.510 -0.338 0.000 1.141 430 N CA 0.083 52.948 53.050 -0.308 0.000 0.851 430 N CB -0.214 38.163 38.487 -0.183 0.000 0.976 430 N HN 0.608 nan 8.380 nan 0.000 0.465 431 Q N -0.429 119.175 119.800 -0.327 0.000 2.140 431 Q HA 0.274 4.614 4.340 0.001 0.000 0.227 431 Q C -0.337 175.480 176.000 -0.305 0.000 0.798 431 Q CA -0.249 55.458 55.803 -0.159 0.000 0.987 431 Q CB 1.342 30.082 28.738 0.003 0.000 1.161 431 Q HN 0.217 nan 8.270 nan 0.000 0.480 432 R N 0.112 120.250 120.500 -0.604 0.000 2.460 432 R HA 0.440 4.781 4.340 0.001 0.000 0.303 432 R C -1.399 174.432 176.300 -0.782 0.000 0.968 432 R CA -0.145 55.682 56.100 -0.456 0.000 0.889 432 R CB 1.052 31.197 30.300 -0.259 0.000 1.123 432 R HN -0.060 nan 8.270 nan 0.000 0.455 433 W N 0.243 121.495 121.300 -0.081 0.000 3.033 433 W HA 0.372 5.032 4.660 0.001 0.000 0.336 433 W C -0.304 176.165 176.519 -0.083 0.000 1.173 433 W CA -0.678 56.611 57.345 -0.093 0.000 1.185 433 W CB 1.761 31.140 29.460 -0.137 0.000 1.425 433 W HN 0.472 nan 8.180 nan 0.000 0.536 434 T N -0.497 114.150 114.554 0.154 0.000 2.876 434 T HA 0.847 5.198 4.350 0.001 0.000 0.289 434 T C -0.670 174.071 174.700 0.068 0.000 1.014 434 T CA -1.252 60.891 62.100 0.072 0.000 0.986 434 T CB 1.775 70.663 68.868 0.032 0.000 1.021 434 T HN 0.563 nan 8.240 nan 0.000 0.458 435 R N 1.092 121.612 120.500 0.034 0.000 2.740 435 R HA 0.894 5.234 4.340 0.001 0.000 0.282 435 R C -1.023 175.292 176.300 0.025 0.000 0.969 435 R CA -0.871 55.245 56.100 0.026 0.000 0.918 435 R CB 1.891 32.189 30.300 -0.003 0.000 1.175 435 R HN 0.692 nan 8.270 nan 0.000 0.464 436 T N 0.000 114.573 114.554 0.032 0.000 3.816 436 T HA 0.000 4.351 4.350 0.001 0.000 0.228 436 T CA 0.000 62.116 62.100 0.027 0.000 1.349 436 T CB 0.000 68.883 68.868 0.025 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658