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 1isx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS 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 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 E N 0.224 120.414 120.200 -0.016 0.000 2.749 2 E HA 0.097 4.448 4.350 0.001 0.000 0.157 2 E C 0.422 177.009 176.600 -0.022 0.000 0.887 2 E CA 0.560 56.945 56.400 -0.024 0.000 1.369 2 E CB -0.867 28.820 29.700 -0.022 0.000 1.005 2 E HN 0.887 nan 8.360 nan 0.000 0.469 3 S N -0.549 115.145 115.700 -0.011 0.000 2.517 3 S HA 0.166 4.637 4.470 0.001 0.000 0.214 3 S C 0.911 175.532 174.600 0.035 0.000 0.991 3 S CA 0.470 58.676 58.200 0.011 0.000 0.906 3 S CB -0.199 63.006 63.200 0.008 0.000 0.789 3 S HN 0.364 nan 8.310 nan 0.000 0.513 4 T N -0.993 113.560 114.554 -0.001 0.000 2.907 4 T HA 0.646 4.996 4.350 0.001 0.000 0.292 4 T C 0.934 175.572 174.700 -0.103 0.000 1.043 4 T CA -0.948 61.147 62.100 -0.008 0.000 1.003 4 T CB 1.287 70.134 68.868 -0.036 0.000 1.084 4 T HN 0.023 nan 8.240 nan 0.000 0.483 5 L N 1.611 122.704 121.223 -0.215 0.000 1.990 5 L HA 0.025 4.366 4.340 0.001 0.000 0.213 5 L C 3.027 179.820 176.870 -0.128 0.000 1.072 5 L CA 1.964 56.571 54.840 -0.389 0.000 0.755 5 L CB -1.208 40.385 42.059 -0.778 0.000 0.889 5 L HN 0.976 nan 8.230 nan 0.000 0.432 6 G N -0.358 108.430 108.800 -0.020 0.000 2.476 6 G HA2 -0.286 3.675 3.960 0.001 0.000 0.218 6 G HA3 -0.286 3.675 3.960 0.001 0.000 0.218 6 G C 1.763 176.709 174.900 0.076 0.000 1.164 6 G CA 1.019 46.193 45.100 0.124 0.000 0.768 6 G HN 0.494 nan 8.290 nan 0.000 0.560 7 A N 1.102 123.931 122.820 0.016 0.000 1.902 7 A HA 0.282 4.603 4.320 0.001 0.000 0.217 7 A C 2.843 180.429 177.584 0.004 0.000 1.181 7 A CA 2.326 54.368 52.037 0.009 0.000 0.623 7 A CB -0.848 18.147 19.000 -0.009 0.000 0.818 7 A HN 0.858 nan 8.150 nan 0.000 0.443 8 A N -0.141 122.665 122.820 -0.024 0.000 1.902 8 A HA 0.145 4.466 4.320 0.001 0.000 0.217 8 A C 2.492 180.077 177.584 0.003 0.000 1.181 8 A CA 2.129 54.147 52.037 -0.031 0.000 0.623 8 A CB -0.982 17.967 19.000 -0.084 0.000 0.818 8 A HN 1.061 nan 8.150 nan 0.000 0.443 9 A N -0.173 122.672 122.820 0.041 0.000 1.930 9 A HA 0.189 4.509 4.320 0.001 0.000 0.217 9 A C 2.470 180.094 177.584 0.066 0.000 1.175 9 A CA 1.908 53.998 52.037 0.088 0.000 0.627 9 A CB -0.968 18.151 19.000 0.199 0.000 0.815 9 A HN 1.095 nan 8.150 nan 0.000 0.443 10 A N -0.698 122.165 122.820 0.071 0.000 1.978 10 A HA -0.237 4.084 4.320 0.001 0.000 0.220 10 A C 2.045 179.650 177.584 0.036 0.000 1.170 10 A CA 1.696 53.770 52.037 0.061 0.000 0.636 10 A CB -0.563 18.470 19.000 0.055 0.000 0.810 10 A HN 0.664 nan 8.150 nan 0.000 0.448 11 Q N -0.040 119.774 119.800 0.023 0.000 2.181 11 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 11 Q C 1.890 177.896 176.000 0.010 0.000 0.980 11 Q CA 1.780 57.590 55.803 0.011 0.000 0.862 11 Q CB -0.178 28.561 28.738 0.002 0.000 0.905 11 Q HN 0.824 nan 8.270 nan 0.000 0.429 12 S N -2.004 113.703 115.700 0.011 0.000 2.582 12 S HA 0.352 4.823 4.470 0.001 0.000 0.234 12 S C 1.101 175.706 174.600 0.008 0.000 0.961 12 S CA 0.115 58.318 58.200 0.005 0.000 0.953 12 S CB 0.913 64.111 63.200 -0.003 0.000 0.800 12 S HN 0.482 nan 8.310 nan 0.000 0.471 13 G N 1.327 110.139 108.800 0.021 0.000 2.159 13 G HA2 -0.265 3.696 3.960 0.001 0.000 0.256 13 G HA3 -0.265 3.696 3.960 0.001 0.000 0.256 13 G C 0.205 175.128 174.900 0.039 0.000 0.977 13 G CA 0.157 45.276 45.100 0.032 0.000 0.652 13 G HN 0.605 nan 8.290 nan 0.000 0.531 14 R N -0.959 119.553 120.500 0.020 0.000 2.719 14 R HA 0.724 5.065 4.340 0.001 0.000 0.233 14 R C 0.141 176.476 176.300 0.058 0.000 1.257 14 R CA -0.352 55.727 56.100 -0.035 0.000 1.109 14 R CB 0.619 30.854 30.300 -0.108 0.000 1.447 14 R HN 0.524 nan 8.270 nan 0.000 0.537 15 Y N -1.805 118.546 120.300 0.084 0.000 2.605 15 Y HA 0.667 5.217 4.550 0.001 0.000 0.343 15 Y C -1.368 174.637 175.900 0.174 0.000 1.036 15 Y CA -1.837 56.333 58.100 0.117 0.000 1.065 15 Y CB 1.146 39.652 38.460 0.077 0.000 1.288 15 Y HN 0.417 nan 8.280 nan 0.000 0.481 16 F N 1.497 121.691 119.950 0.406 0.000 2.612 16 F HA 0.782 5.310 4.527 0.001 0.000 0.332 16 F C -0.049 176.075 175.800 0.540 0.000 1.167 16 F CA -0.726 57.505 58.000 0.384 0.000 0.970 16 F CB 1.468 40.612 39.000 0.240 0.000 1.234 16 F HN 0.960 nan 8.300 nan 0.000 0.453 17 G N 2.015 111.051 108.800 0.392 0.000 3.016 17 G HA2 0.642 4.602 3.960 0.001 0.000 0.270 17 G HA3 0.642 4.602 3.960 0.001 0.000 0.270 17 G C -1.261 173.532 174.900 -0.178 0.000 1.352 17 G CA -0.641 44.601 45.100 0.237 0.000 1.060 17 G HN 0.628 nan 8.290 nan 0.000 0.538 18 T N -2.168 112.096 114.554 -0.482 0.000 2.754 18 T HA 0.629 4.980 4.350 0.001 0.000 0.296 18 T C -1.183 173.248 174.700 -0.448 0.000 1.205 18 T CA 0.194 61.891 62.100 -0.673 0.000 1.009 18 T CB 1.333 69.346 68.868 -1.426 0.000 1.368 18 T HN 1.269 nan 8.240 nan 0.000 0.509 19 A N 2.450 124.944 122.820 -0.544 0.000 2.276 19 A HA 0.712 5.033 4.320 0.001 0.000 0.316 19 A C -0.464 176.831 177.584 -0.482 0.000 1.229 19 A CA -0.606 51.001 52.037 -0.717 0.000 0.851 19 A CB 0.113 18.123 19.000 -1.650 0.000 1.165 19 A HN 0.648 nan 8.150 nan 0.000 0.513 20 I N 2.076 122.450 120.570 -0.327 0.000 2.359 20 I HA 0.457 4.628 4.170 0.001 0.000 0.294 20 I C 0.614 176.620 176.117 -0.185 0.000 0.987 20 I CA -0.217 60.967 61.300 -0.192 0.000 1.225 20 I CB 1.278 39.168 38.000 -0.184 0.000 1.366 20 I HN 0.701 nan 8.210 nan 0.000 0.466 21 A N 4.312 127.030 122.820 -0.170 0.000 2.249 21 A HA 0.426 4.747 4.320 0.001 0.000 0.314 21 A C 1.095 178.536 177.584 -0.239 0.000 1.290 21 A CA -0.292 51.621 52.037 -0.207 0.000 0.893 21 A CB 0.601 19.453 19.000 -0.246 0.000 1.165 21 A HN 0.840 nan 8.150 nan 0.000 0.530 22 S N 2.512 118.121 115.700 -0.152 0.000 2.402 22 S HA -0.138 4.333 4.470 0.001 0.000 0.233 22 S C 1.696 176.199 174.600 -0.161 0.000 1.030 22 S CA 1.627 59.748 58.200 -0.131 0.000 1.003 22 S CB -0.509 62.667 63.200 -0.041 0.000 0.813 22 S HN 1.160 nan 8.310 nan 0.000 0.477 23 G N 1.159 109.857 108.800 -0.170 0.000 2.598 23 G HA2 0.017 3.978 3.960 0.001 0.000 0.215 23 G HA3 0.017 3.978 3.960 0.001 0.000 0.215 23 G C 1.376 176.126 174.900 -0.250 0.000 1.131 23 G CA 0.215 45.215 45.100 -0.166 0.000 0.785 23 G HN 0.609 nan 8.290 nan 0.000 0.539 24 K N -0.256 119.891 120.400 -0.421 0.000 2.358 24 K HA 0.338 4.659 4.320 0.001 0.000 0.197 24 K C 1.724 178.009 176.600 -0.525 0.000 1.025 24 K CA -0.309 55.589 56.287 -0.648 0.000 1.104 24 K CB 0.257 31.942 32.500 -1.358 0.000 0.855 24 K HN 0.210 nan 8.250 nan 0.000 0.531 25 L N 0.270 121.278 121.223 -0.358 0.000 2.549 25 L HA -0.046 4.295 4.340 0.001 0.000 0.229 25 L C 1.822 178.625 176.870 -0.110 0.000 1.158 25 L CA 0.788 55.472 54.840 -0.260 0.000 0.842 25 L CB -0.191 41.676 42.059 -0.320 0.000 0.952 25 L HN 0.289 nan 8.230 nan 0.000 0.452 26 G N -1.882 106.856 108.800 -0.104 0.000 3.088 26 G HA2 -0.098 3.863 3.960 0.001 0.000 0.217 26 G HA3 -0.098 3.863 3.960 0.001 0.000 0.217 26 G C 0.219 175.104 174.900 -0.026 0.000 1.159 26 G CA -0.199 44.876 45.100 -0.042 0.000 0.760 26 G HN 0.135 nan 8.290 nan 0.000 0.550 27 D N 1.240 121.614 120.400 -0.043 0.000 2.380 27 D HA 0.171 4.812 4.640 0.001 0.000 0.230 27 D C 1.871 178.210 176.300 0.065 0.000 1.154 27 D CA 0.041 54.039 54.000 -0.004 0.000 0.859 27 D CB 1.311 42.085 40.800 -0.043 0.000 1.045 27 D HN 0.121 nan 8.370 nan 0.000 0.495 28 S N 3.010 118.741 115.700 0.052 0.000 2.400 28 S HA -0.191 4.280 4.470 0.001 0.000 0.232 28 S C 1.932 176.568 174.600 0.060 0.000 1.025 28 S CA 0.883 59.120 58.200 0.063 0.000 0.993 28 S CB -0.130 63.096 63.200 0.043 0.000 0.808 28 S HN 0.445 nan 8.310 nan 0.000 0.478 29 A N 0.350 123.203 122.820 0.055 0.000 1.968 29 A HA 0.076 4.396 4.320 0.001 0.000 0.217 29 A C 1.961 179.570 177.584 0.040 0.000 1.169 29 A CA 1.152 53.210 52.037 0.034 0.000 0.638 29 A CB -0.967 18.052 19.000 0.032 0.000 0.812 29 A HN 0.642 nan 8.150 nan 0.000 0.446 30 Y N 1.662 121.928 120.300 -0.057 0.000 2.109 30 Y HA -0.213 4.337 4.550 0.001 0.000 0.285 30 Y C 2.941 178.801 175.900 -0.066 0.000 1.131 30 Y CA 2.705 60.755 58.100 -0.082 0.000 1.121 30 Y CB -0.665 37.730 38.460 -0.108 0.000 0.987 30 Y HN 0.409 nan 8.280 nan 0.000 0.495 31 T N -3.393 111.223 114.554 0.104 0.000 2.833 31 T HA -0.161 4.190 4.350 0.001 0.000 0.269 31 T C 1.808 176.572 174.700 0.106 0.000 1.054 31 T CA 1.748 63.916 62.100 0.114 0.000 1.135 31 T CB -1.077 67.942 68.868 0.252 0.000 0.869 31 T HN 0.354 nan 8.240 nan 0.000 0.466 32 T N 2.001 116.577 114.554 0.037 0.000 2.720 32 T HA 0.071 4.422 4.350 0.001 0.000 0.268 32 T C 1.848 176.505 174.700 -0.071 0.000 1.037 32 T CA 1.429 63.529 62.100 -0.000 0.000 1.144 32 T CB -0.409 68.450 68.868 -0.016 0.000 0.864 32 T HN 0.439 nan 8.240 nan 0.000 0.444 33 I N 0.966 121.435 120.570 -0.169 0.000 2.193 33 I HA -0.092 4.078 4.170 0.001 0.000 0.240 33 I C 2.934 178.924 176.117 -0.212 0.000 1.084 33 I CA 0.947 62.053 61.300 -0.323 0.000 1.365 33 I CB -0.541 37.112 38.000 -0.578 0.000 1.064 33 I HN 0.167 nan 8.210 nan 0.000 0.410 34 A N 1.182 123.930 122.820 -0.120 0.000 1.873 34 A HA -0.278 4.043 4.320 0.001 0.000 0.218 34 A C 2.515 180.321 177.584 0.370 0.000 1.193 34 A CA 2.739 54.887 52.037 0.185 0.000 0.629 34 A CB -1.106 17.850 19.000 -0.072 0.000 0.826 34 A HN 0.538 nan 8.150 nan 0.000 0.447 35 S N -0.477 115.427 115.700 0.340 0.000 2.399 35 S HA -0.197 4.273 4.470 0.001 0.000 0.231 35 S C 2.025 176.629 174.600 0.007 0.000 1.022 35 S CA 1.338 59.613 58.200 0.125 0.000 0.983 35 S CB -0.412 62.820 63.200 0.053 0.000 0.803 35 S HN 0.653 nan 8.310 nan 0.000 0.480 36 R N 0.995 121.480 120.500 -0.024 0.000 2.075 36 R HA 0.044 4.384 4.340 0.001 0.000 0.226 36 R C 1.819 178.042 176.300 -0.128 0.000 1.114 36 R CA 1.236 57.291 56.100 -0.076 0.000 0.972 36 R CB -0.056 30.192 30.300 -0.088 0.000 0.869 36 R HN 0.359 nan 8.270 nan 0.000 0.437 37 E N -0.325 119.716 120.200 -0.265 0.000 2.250 37 E HA 0.021 4.372 4.350 0.001 0.000 0.192 37 E C -0.216 176.012 176.600 -0.620 0.000 0.986 37 E CA 0.536 56.620 56.400 -0.527 0.000 0.849 37 E CB 0.250 29.416 29.700 -0.890 0.000 0.797 37 E HN 0.143 nan 8.360 nan 0.000 0.482 38 F N 1.445 121.466 119.950 0.118 0.000 2.522 38 F HA 0.254 4.781 4.527 0.001 0.000 0.324 38 F C 0.852 176.714 175.800 0.103 0.000 1.077 38 F CA -1.194 56.907 58.000 0.168 0.000 0.944 38 F CB 0.908 40.018 39.000 0.183 0.000 1.175 38 F HN -0.185 nan 8.300 nan 0.000 0.468 39 N N 0.935 119.818 118.700 0.305 0.000 2.282 39 N HA 0.381 5.121 4.740 0.001 0.000 0.240 39 N C -0.765 174.800 175.510 0.092 0.000 1.182 39 N CA -0.137 53.005 53.050 0.153 0.000 0.874 39 N CB 0.812 39.377 38.487 0.129 0.000 1.126 39 N HN 0.595 nan 8.380 nan 0.000 0.516 40 M N 0.194 119.857 119.600 0.106 0.000 2.365 40 M HA 0.549 5.029 4.480 0.001 0.000 0.287 40 M C -2.287 173.987 176.300 -0.044 0.000 1.154 40 M CA -0.709 54.538 55.300 -0.089 0.000 0.941 40 M CB 2.292 34.681 32.600 -0.353 0.000 1.704 40 M HN -0.153 nan 8.290 nan 0.000 0.479 41 V N 2.685 122.542 119.914 -0.094 0.000 2.789 41 V HA 0.828 4.949 4.120 0.001 0.000 0.311 41 V C -0.780 175.247 176.094 -0.112 0.000 1.073 41 V CA -0.556 61.704 62.300 -0.067 0.000 0.921 41 V CB 2.568 34.417 31.823 0.042 0.000 1.009 41 V HN 0.882 nan 8.190 nan 0.000 0.426 42 T N 3.141 117.620 114.554 -0.126 0.000 2.841 42 T HA 0.636 4.986 4.350 0.001 0.000 0.285 42 T C -0.041 174.585 174.700 -0.122 0.000 0.991 42 T CA -0.274 61.765 62.100 -0.101 0.000 0.966 42 T CB 1.619 70.474 68.868 -0.023 0.000 0.962 42 T HN 0.981 nan 8.240 nan 0.000 0.438 43 A N 2.135 124.929 122.820 -0.044 0.000 2.454 43 A HA 0.261 4.581 4.320 0.001 0.000 0.260 43 A C 1.383 178.965 177.584 -0.003 0.000 1.106 43 A CA -0.282 51.741 52.037 -0.023 0.000 0.780 43 A CB -0.025 19.005 19.000 0.050 0.000 1.044 43 A HN 1.057 nan 8.150 nan 0.000 0.498 44 E N 2.086 122.201 120.200 -0.142 0.000 2.153 44 E HA -0.185 4.166 4.350 0.001 0.000 0.194 44 E C 0.659 177.363 176.600 0.173 0.000 0.988 44 E CA 1.792 58.100 56.400 -0.153 0.000 0.811 44 E CB 0.085 29.589 29.700 -0.328 0.000 0.746 44 E HN 0.805 nan 8.360 nan 0.000 0.466 45 N N -1.362 117.423 118.700 0.142 0.000 1.963 45 N HA -0.031 4.710 4.740 0.001 0.000 0.244 45 N C 0.741 176.355 175.510 0.173 0.000 1.288 45 N CA 0.215 53.379 53.050 0.189 0.000 0.800 45 N CB 0.204 38.770 38.487 0.132 0.000 1.293 45 N HN -0.030 nan 8.380 nan 0.000 0.483 46 E N 0.903 121.187 120.200 0.140 0.000 2.331 46 E HA 0.032 4.382 4.350 0.001 0.000 0.199 46 E C 1.117 177.855 176.600 0.230 0.000 1.008 46 E CA 1.016 57.512 56.400 0.160 0.000 0.843 46 E CB -0.058 29.724 29.700 0.137 0.000 0.761 46 E HN 0.376 nan 8.360 nan 0.000 0.507 47 M N -0.162 119.587 119.600 0.249 0.000 2.405 47 M HA 0.151 4.632 4.480 0.001 0.000 0.292 47 M C -0.133 176.381 176.300 0.357 0.000 1.111 47 M CA -0.085 55.413 55.300 0.330 0.000 0.979 47 M CB 0.616 33.376 32.600 0.266 0.000 1.426 47 M HN -0.157 nan 8.290 nan 0.000 0.509 48 K N 0.498 121.069 120.400 0.286 0.000 2.120 48 K HA 0.309 4.630 4.320 0.001 0.000 0.245 48 K C 1.095 177.853 176.600 0.264 0.000 1.024 48 K CA -0.361 56.084 56.287 0.263 0.000 0.906 48 K CB 1.380 34.020 32.500 0.234 0.000 1.051 48 K HN 0.057 nan 8.250 nan 0.000 0.491 49 I N 1.354 122.033 120.570 0.181 0.000 2.091 49 I HA -0.373 3.797 4.170 0.001 0.000 0.239 49 I C 2.037 178.149 176.117 -0.008 0.000 1.061 49 I CA 1.724 63.022 61.300 -0.004 0.000 1.317 49 I CB -0.561 37.251 38.000 -0.314 0.000 1.031 49 I HN 0.763 nan 8.210 nan 0.000 0.401 50 D N 1.646 122.002 120.400 -0.073 0.000 2.218 50 D HA -0.170 4.470 4.640 0.001 0.000 0.204 50 D C 1.907 178.221 176.300 0.024 0.000 0.976 50 D CA 1.557 55.513 54.000 -0.073 0.000 0.853 50 D CB -0.329 40.401 40.800 -0.117 0.000 0.939 50 D HN 0.391 nan 8.370 nan 0.000 0.481 51 A N 0.241 123.107 122.820 0.077 0.000 2.072 51 A HA 0.031 4.351 4.320 0.001 0.000 0.216 51 A C 2.210 179.863 177.584 0.114 0.000 1.156 51 A CA 1.620 53.715 52.037 0.097 0.000 0.701 51 A CB -0.537 18.538 19.000 0.124 0.000 0.816 51 A HN 0.434 nan 8.150 nan 0.000 0.458 52 T N -3.511 111.153 114.554 0.183 0.000 3.022 52 T HA 0.224 4.574 4.350 0.001 0.000 0.250 52 T C 0.449 175.207 174.700 0.096 0.000 1.060 52 T CA 0.622 62.816 62.100 0.156 0.000 1.013 52 T CB 0.106 69.194 68.868 0.367 0.000 0.982 52 T HN 0.420 nan 8.240 nan 0.000 0.508 53 E N 1.447 121.735 120.200 0.148 0.000 3.074 53 E HA 0.291 4.641 4.350 0.001 0.000 0.287 53 E C -2.540 174.172 176.600 0.187 0.000 1.194 53 E CA -1.865 54.552 56.400 0.029 0.000 0.836 53 E CB 1.408 31.200 29.700 0.153 0.000 1.468 53 E HN 0.058 nan 8.360 nan 0.000 0.383 54 P HA -0.079 nan 4.420 nan 0.000 0.225 54 P C -0.385 177.080 177.300 0.276 0.000 1.148 54 P CA 0.764 63.953 63.100 0.149 0.000 0.779 54 P CB 0.232 31.953 31.700 0.035 0.000 0.780 55 Q N -1.291 118.559 119.800 0.083 0.000 2.295 55 Q HA 0.296 4.637 4.340 0.001 0.000 0.268 55 Q C -0.783 174.730 176.000 -0.813 0.000 1.010 55 Q CA -0.769 54.795 55.803 -0.398 0.000 0.856 55 Q CB 1.354 29.918 28.738 -0.289 0.000 1.349 55 Q HN -0.210 nan 8.270 nan 0.000 0.412 56 R N 1.559 120.966 120.500 -1.821 0.000 2.486 56 R HA 0.264 4.605 4.340 0.001 0.000 0.303 56 R C 0.699 176.557 176.300 -0.736 0.000 0.958 56 R CA 2.007 57.183 56.100 -1.541 0.000 1.077 56 R CB -0.358 28.908 30.300 -1.723 0.000 0.921 56 R HN 0.941 nan 8.270 nan 0.000 0.406 57 G N 2.884 111.340 108.800 -0.573 0.000 2.284 57 G HA2 -0.291 3.670 3.960 0.001 0.000 0.230 57 G HA3 -0.291 3.670 3.960 0.001 0.000 0.230 57 G C -0.141 174.540 174.900 -0.364 0.000 1.021 57 G CA 0.057 44.952 45.100 -0.343 0.000 0.619 57 G HN 0.604 nan 8.290 nan 0.000 0.510 58 Q N 0.363 119.874 119.800 -0.482 0.000 2.398 58 Q HA 0.608 4.948 4.340 0.001 0.000 0.251 58 Q C -0.959 174.761 176.000 -0.467 0.000 0.999 58 Q CA -0.467 55.136 55.803 -0.332 0.000 0.874 58 Q CB 0.784 29.385 28.738 -0.229 0.000 1.215 58 Q HN 0.310 nan 8.270 nan 0.000 0.470 59 F N 1.731 121.560 119.950 -0.202 0.000 2.404 59 F HA 0.272 4.800 4.527 0.001 0.000 0.339 59 F C 0.780 176.246 175.800 -0.557 0.000 1.105 59 F CA -0.697 57.031 58.000 -0.454 0.000 1.087 59 F CB 0.974 39.586 39.000 -0.647 0.000 1.143 59 F HN 0.387 nan 8.300 nan 0.000 0.491 60 N N 3.375 121.807 118.700 -0.448 0.000 2.626 60 N HA 0.197 4.937 4.740 0.001 0.000 0.249 60 N C -0.712 174.601 175.510 -0.328 0.000 1.021 60 N CA -0.254 52.620 53.050 -0.293 0.000 0.886 60 N CB 0.329 38.745 38.487 -0.119 0.000 1.149 60 N HN 0.392 nan 8.380 nan 0.000 0.517 61 F N 0.895 120.831 119.950 -0.022 0.000 2.660 61 F HA 0.244 4.771 4.527 0.001 0.000 0.302 61 F C 2.084 177.937 175.800 0.088 0.000 1.103 61 F CA -0.249 57.735 58.000 -0.026 0.000 1.340 61 F CB 0.144 38.860 39.000 -0.474 0.000 1.048 61 F HN 0.325 nan 8.300 nan 0.000 0.551 62 S N 1.003 116.820 115.700 0.194 0.000 2.365 62 S HA -0.290 4.180 4.470 0.001 0.000 0.221 62 S C 2.510 177.227 174.600 0.195 0.000 1.037 62 S CA 1.676 59.981 58.200 0.175 0.000 1.060 62 S CB -0.720 62.544 63.200 0.107 0.000 0.974 62 S HN 0.429 nan 8.310 nan 0.000 0.427 63 A N 1.376 124.297 122.820 0.167 0.000 1.933 63 A HA 0.060 4.380 4.320 0.001 0.000 0.218 63 A C 2.332 180.045 177.584 0.214 0.000 1.175 63 A CA 1.831 53.961 52.037 0.155 0.000 0.628 63 A CB -1.446 17.625 19.000 0.117 0.000 0.814 63 A HN 0.540 nan 8.150 nan 0.000 0.444 64 G N -0.198 108.785 108.800 0.306 0.000 2.421 64 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 64 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 64 G C 1.127 176.301 174.900 0.457 0.000 1.171 64 G CA 1.142 46.480 45.100 0.396 0.000 0.775 64 G HN 0.474 nan 8.290 nan 0.000 0.543 65 D N 0.169 120.877 120.400 0.513 0.000 2.219 65 D HA -0.040 4.601 4.640 0.001 0.000 0.205 65 D C 2.533 179.068 176.300 0.392 0.000 0.970 65 D CA 0.485 54.795 54.000 0.518 0.000 0.851 65 D CB -0.083 40.975 40.800 0.430 0.000 0.943 65 D HN 0.103 nan 8.370 nan 0.000 0.488 66 R N 0.651 121.324 120.500 0.288 0.000 2.083 66 R HA -0.109 4.232 4.340 0.001 0.000 0.237 66 R C 2.265 178.701 176.300 0.227 0.000 1.137 66 R CA 0.885 57.115 56.100 0.217 0.000 0.951 66 R CB -0.648 29.742 30.300 0.150 0.000 0.851 66 R HN 0.026 nan 8.270 nan 0.000 0.434 67 V N -0.257 119.782 119.914 0.209 0.000 2.307 67 V HA -0.233 3.887 4.120 0.001 0.000 0.245 67 V C 1.915 178.147 176.094 0.230 0.000 1.045 67 V CA 1.905 64.316 62.300 0.184 0.000 1.024 67 V CB -0.770 31.119 31.823 0.109 0.000 0.651 67 V HN 0.382 nan 8.190 nan 0.000 0.449 68 Y N 2.031 122.414 120.300 0.138 0.000 2.128 68 Y HA -0.265 4.285 4.550 0.001 0.000 0.284 68 Y C 2.509 178.485 175.900 0.125 0.000 1.154 68 Y CA 2.127 60.285 58.100 0.096 0.000 1.149 68 Y CB -0.418 38.114 38.460 0.120 0.000 0.976 68 Y HN 0.277 nan 8.280 nan 0.000 0.505 69 N N -0.441 118.299 118.700 0.065 0.000 2.106 69 N HA -0.230 4.510 4.740 0.001 0.000 0.188 69 N C 1.625 177.111 175.510 -0.039 0.000 1.029 69 N CA 1.601 54.635 53.050 -0.027 0.000 0.848 69 N CB -1.189 37.396 38.487 0.163 0.000 1.007 69 N HN 0.642 nan 8.380 nan 0.000 0.423 70 W N 2.257 123.516 121.300 -0.067 0.000 2.335 70 W HA -0.147 4.513 4.660 0.001 0.000 0.311 70 W C 2.398 178.856 176.519 -0.102 0.000 1.213 70 W CA 2.424 59.737 57.345 -0.053 0.000 1.274 70 W CB -0.408 29.046 29.460 -0.009 0.000 1.148 70 W HN 0.092 nan 8.180 nan 0.000 0.498 71 A N -0.055 122.795 122.820 0.049 0.000 1.851 71 A HA -0.254 4.066 4.320 0.001 0.000 0.216 71 A C 2.117 179.494 177.584 -0.344 0.000 1.195 71 A CA 2.628 54.578 52.037 -0.145 0.000 0.622 71 A CB -1.651 17.315 19.000 -0.058 0.000 0.831 71 A HN 0.366 nan 8.150 nan 0.000 0.444 72 V N -0.083 119.584 119.914 -0.413 0.000 2.287 72 V HA -0.260 3.861 4.120 0.001 0.000 0.248 72 V C 2.420 178.343 176.094 -0.284 0.000 1.053 72 V CA 2.619 64.699 62.300 -0.367 0.000 1.027 72 V CB -0.671 30.868 31.823 -0.473 0.000 0.646 72 V HN 0.628 nan 8.190 nan 0.000 0.447 73 Q N -0.079 119.547 119.800 -0.290 0.000 2.364 73 Q HA -0.064 4.277 4.340 0.001 0.000 0.209 73 Q C 1.437 177.247 176.000 -0.317 0.000 0.977 73 Q CA 1.052 56.707 55.803 -0.247 0.000 0.885 73 Q CB -0.416 28.200 28.738 -0.204 0.000 0.941 73 Q HN 0.687 nan 8.270 nan 0.000 0.464 74 N N -0.682 117.743 118.700 -0.458 0.000 2.234 74 N HA 0.106 4.847 4.740 0.001 0.000 0.227 74 N C 0.176 175.489 175.510 -0.329 0.000 1.151 74 N CA 0.585 53.339 53.050 -0.493 0.000 0.865 74 N CB 1.262 39.191 38.487 -0.931 0.000 1.066 74 N HN 0.252 nan 8.380 nan 0.000 0.515 75 G N 1.453 110.106 108.800 -0.245 0.000 2.198 75 G HA2 -0.286 3.674 3.960 0.001 0.000 0.257 75 G HA3 -0.286 3.674 3.960 0.001 0.000 0.257 75 G C -0.260 174.563 174.900 -0.128 0.000 1.042 75 G CA 0.299 45.304 45.100 -0.158 0.000 0.791 75 G HN 0.268 nan 8.290 nan 0.000 0.502 76 K N -0.112 120.192 120.400 -0.159 0.000 2.316 76 K HA 0.585 4.905 4.320 0.001 0.000 0.251 76 K C 0.547 177.072 176.600 -0.124 0.000 0.934 76 K CA -0.702 55.522 56.287 -0.105 0.000 0.802 76 K CB 1.747 34.204 32.500 -0.071 0.000 1.171 76 K HN 0.333 nan 8.250 nan 0.000 0.426 77 Q N 0.531 120.262 119.800 -0.115 0.000 2.316 77 Q HA 0.467 4.807 4.340 0.001 0.000 0.215 77 Q C -0.588 175.317 176.000 -0.157 0.000 1.020 77 Q CA -0.764 54.961 55.803 -0.131 0.000 0.970 77 Q CB 1.187 29.835 28.738 -0.150 0.000 1.187 77 Q HN 0.234 nan 8.270 nan 0.000 0.546 78 V N 0.834 120.657 119.914 -0.152 0.000 2.735 78 V HA 0.417 4.537 4.120 0.001 0.000 0.310 78 V C -0.704 175.230 176.094 -0.266 0.000 1.061 78 V CA -0.802 61.393 62.300 -0.174 0.000 0.913 78 V CB 2.011 33.785 31.823 -0.082 0.000 1.005 78 V HN 0.635 nan 8.190 nan 0.000 0.428 79 R N 2.199 122.532 120.500 -0.279 0.000 2.295 79 R HA 0.565 4.905 4.340 0.001 0.000 0.324 79 R C 0.259 176.307 176.300 -0.419 0.000 0.968 79 R CA -0.486 55.431 56.100 -0.306 0.000 0.837 79 R CB 1.859 32.048 30.300 -0.185 0.000 1.133 79 R HN 0.911 nan 8.270 nan 0.000 0.450 80 G N 1.717 110.035 108.800 -0.802 0.000 2.355 80 G HA2 0.148 4.108 3.960 0.001 0.000 0.276 80 G HA3 0.148 4.108 3.960 0.001 0.000 0.276 80 G C -0.896 173.879 174.900 -0.207 0.000 1.198 80 G CA 0.037 44.406 45.100 -1.218 0.000 0.876 80 G HN 0.622 nan 8.290 nan 0.000 0.478 81 H N 0.365 119.410 119.070 -0.042 0.000 3.108 81 H HA 0.609 5.165 4.556 0.001 0.000 0.329 81 H C -0.690 174.791 175.328 0.256 0.000 0.978 81 H CA -0.278 55.848 56.048 0.129 0.000 1.413 81 H CB 1.972 31.776 29.762 0.069 0.000 1.670 81 H HN 0.622 nan 8.280 nan 0.000 0.512 82 T N 4.500 119.064 114.554 0.016 0.000 2.894 82 T HA 0.261 4.611 4.350 0.001 0.000 0.309 82 T C 0.676 175.504 174.700 0.214 0.000 1.208 82 T CA -0.683 61.432 62.100 0.024 0.000 1.016 82 T CB 1.088 69.670 68.868 -0.477 0.000 1.192 82 T HN 0.548 nan 8.240 nan 0.000 0.491 83 L N 1.842 123.182 121.223 0.195 0.000 2.095 83 L HA 0.451 4.792 4.340 0.001 0.000 0.204 83 L C 1.262 178.274 176.870 0.237 0.000 1.080 83 L CA 0.595 55.540 54.840 0.174 0.000 0.759 83 L CB -0.230 41.801 42.059 -0.047 0.000 0.914 83 L HN 0.690 nan 8.230 nan 0.000 0.439 84 A N -1.241 121.707 122.820 0.214 0.000 2.357 84 A HA 0.537 4.857 4.320 0.001 0.000 0.295 84 A C -1.947 175.890 177.584 0.422 0.000 1.121 84 A CA -0.215 51.998 52.037 0.294 0.000 0.742 84 A CB 1.000 20.229 19.000 0.383 0.000 1.181 84 A HN 0.198 nan 8.150 nan 0.000 0.454 85 W N 3.975 125.328 121.300 0.089 0.000 3.248 85 W HA 0.385 5.046 4.660 0.001 0.000 0.311 85 W C 0.446 176.962 176.519 -0.005 0.000 1.258 85 W CA -0.849 56.551 57.345 0.092 0.000 1.191 85 W CB 0.813 30.261 29.460 -0.020 0.000 1.389 85 W HN 0.805 nan 8.180 nan 0.000 0.561 86 H N 0.642 119.754 119.070 0.071 0.000 2.529 86 H HA 0.254 4.811 4.556 0.001 0.000 0.277 86 H C -0.043 174.972 175.328 -0.522 0.000 0.999 86 H CA 0.845 56.765 56.048 -0.212 0.000 1.256 86 H CB -0.062 29.660 29.762 -0.066 0.000 1.402 86 H HN 0.068 nan 8.280 nan 0.000 0.566 87 S N 0.526 115.167 115.700 -1.766 0.000 2.651 87 S HA 0.170 4.640 4.470 0.001 0.000 0.291 87 S C 0.186 174.011 174.600 -1.292 0.000 1.141 87 S CA -0.689 56.522 58.200 -1.647 0.000 1.027 87 S CB 1.823 63.771 63.200 -2.086 0.000 1.043 87 S HN 0.433 nan 8.310 nan 0.000 0.530 88 Q N -0.114 119.206 119.800 -0.799 0.000 2.435 88 Q HA -0.237 4.103 4.340 0.001 0.000 0.286 88 Q C -0.630 175.145 176.000 -0.375 0.000 1.229 88 Q CA 0.624 56.142 55.803 -0.476 0.000 0.884 88 Q CB -1.313 27.201 28.738 -0.374 0.000 1.245 88 Q HN 0.590 nan 8.270 nan 0.000 0.488 89 Q N 0.904 120.457 119.800 -0.412 0.000 2.259 89 Q HA 0.394 4.735 4.340 0.001 0.000 0.246 89 Q C -1.957 173.795 176.000 -0.412 0.000 0.920 89 Q CA -1.856 53.696 55.803 -0.419 0.000 0.895 89 Q CB 0.831 29.304 28.738 -0.441 0.000 1.220 89 Q HN 0.108 nan 8.270 nan 0.000 0.439 90 P HA -0.073 nan 4.420 nan 0.000 0.273 90 P C 0.323 177.341 177.300 -0.471 0.000 1.250 90 P CA 0.067 62.898 63.100 -0.450 0.000 0.793 90 P CB 0.545 31.939 31.700 -0.510 0.000 1.011 91 G N 1.007 109.661 108.800 -0.243 0.000 2.476 91 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 91 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 91 G C 1.421 176.248 174.900 -0.122 0.000 1.164 91 G CA 0.554 45.567 45.100 -0.145 0.000 0.768 91 G HN 0.762 nan 8.290 nan 0.000 0.560 92 W N -0.157 121.092 121.300 -0.085 0.000 2.392 92 W HA 0.076 4.736 4.660 0.001 0.000 0.279 92 W C 2.029 178.496 176.519 -0.087 0.000 1.225 92 W CA 0.961 58.257 57.345 -0.082 0.000 1.233 92 W CB -0.734 28.675 29.460 -0.085 0.000 1.122 92 W HN 0.280 nan 8.180 nan 0.000 0.561 93 M N 1.391 120.517 119.600 -0.789 0.000 2.287 93 M HA -0.095 4.385 4.480 0.001 0.000 0.266 93 M C 2.279 178.364 176.300 -0.358 0.000 1.079 93 M CA 1.423 56.296 55.300 -0.712 0.000 1.146 93 M CB -0.257 31.648 32.600 -1.158 0.000 1.374 93 M HN -0.054 nan 8.290 nan 0.000 0.435 94 Q N -0.190 119.410 119.800 -0.334 0.000 2.443 94 Q HA -0.125 4.215 4.340 0.001 0.000 0.213 94 Q C 1.645 177.563 176.000 -0.137 0.000 0.982 94 Q CA 1.593 57.263 55.803 -0.222 0.000 0.894 94 Q CB -0.107 28.509 28.738 -0.203 0.000 0.947 94 Q HN 0.648 nan 8.270 nan 0.000 0.480 95 S N -1.143 114.498 115.700 -0.099 0.000 2.505 95 S HA 0.173 4.644 4.470 0.001 0.000 0.216 95 S C 0.785 175.368 174.600 -0.028 0.000 1.018 95 S CA -0.444 57.728 58.200 -0.047 0.000 0.911 95 S CB 0.150 63.343 63.200 -0.012 0.000 0.818 95 S HN 0.101 nan 8.310 nan 0.000 0.497 96 L N 2.182 123.391 121.223 -0.023 0.000 2.476 96 L HA 0.431 4.771 4.340 0.001 0.000 0.264 96 L C 0.212 177.061 176.870 -0.034 0.000 1.224 96 L CA -0.085 54.756 54.840 0.002 0.000 0.821 96 L CB 0.606 42.690 42.059 0.042 0.000 1.101 96 L HN 0.253 nan 8.230 nan 0.000 0.488 97 S N -1.217 114.470 115.700 -0.021 0.000 2.615 97 S HA 0.626 5.096 4.470 0.001 0.000 0.269 97 S C 0.080 174.667 174.600 -0.021 0.000 1.161 97 S CA -0.129 58.050 58.200 -0.036 0.000 0.817 97 S CB 1.438 64.618 63.200 -0.034 0.000 1.131 97 S HN 1.157 nan 8.310 nan 0.000 0.467 98 G N 2.363 111.147 108.800 -0.026 0.000 2.627 98 G HA2 -0.363 3.597 3.960 0.001 0.000 0.312 98 G HA3 -0.363 3.597 3.960 0.001 0.000 0.312 98 G C 1.250 176.154 174.900 0.006 0.000 1.299 98 G CA 1.627 46.721 45.100 -0.009 0.000 0.989 98 G HN 1.699 nan 8.290 nan 0.000 0.547 99 S N -0.552 115.158 115.700 0.016 0.000 2.369 99 S HA -0.256 4.215 4.470 0.001 0.000 0.225 99 S C 2.613 177.233 174.600 0.033 0.000 1.043 99 S CA 4.058 62.274 58.200 0.027 0.000 1.074 99 S CB -1.754 61.460 63.200 0.024 0.000 0.962 99 S HN 2.251 nan 8.310 nan 0.000 0.433 100 T N 0.866 115.438 114.554 0.030 0.000 2.737 100 T HA -0.108 4.243 4.350 0.001 0.000 0.269 100 T C 1.729 176.465 174.700 0.060 0.000 1.040 100 T CA 1.413 63.538 62.100 0.043 0.000 1.142 100 T CB -0.808 68.083 68.868 0.039 0.000 0.861 100 T HN 0.286 nan 8.240 nan 0.000 0.456 101 L N 1.238 122.484 121.223 0.039 0.000 2.072 101 L HA 0.253 4.594 4.340 0.001 0.000 0.205 101 L C 2.709 179.603 176.870 0.040 0.000 1.079 101 L CA 1.652 56.510 54.840 0.029 0.000 0.752 101 L CB -0.973 41.068 42.059 -0.031 0.000 0.906 101 L HN 0.165 nan 8.230 nan 0.000 0.436 102 R N -0.260 120.263 120.500 0.040 0.000 2.105 102 R HA -0.226 4.114 4.340 0.001 0.000 0.239 102 R C 2.314 178.668 176.300 0.089 0.000 1.135 102 R CA 1.952 58.093 56.100 0.069 0.000 0.967 102 R CB -0.719 29.624 30.300 0.072 0.000 0.861 102 R HN 0.528 nan 8.270 nan 0.000 0.442 103 Q N -0.453 119.395 119.800 0.081 0.000 2.172 103 Q HA 0.132 4.473 4.340 0.001 0.000 0.200 103 Q C 1.775 177.847 176.000 0.120 0.000 0.964 103 Q CA 1.771 57.627 55.803 0.088 0.000 0.855 103 Q CB -0.283 28.496 28.738 0.069 0.000 0.918 103 Q HN 0.405 nan 8.270 nan 0.000 0.444 104 A N 0.301 123.204 122.820 0.139 0.000 1.930 104 A HA -0.124 4.196 4.320 0.001 0.000 0.217 104 A C 2.105 179.823 177.584 0.224 0.000 1.175 104 A CA 1.467 53.633 52.037 0.215 0.000 0.627 104 A CB -0.644 18.520 19.000 0.273 0.000 0.815 104 A HN 0.582 nan 8.150 nan 0.000 0.443 105 M N -0.264 119.429 119.600 0.156 0.000 2.117 105 M HA -0.112 4.369 4.480 0.001 0.000 0.262 105 M C 1.886 178.303 176.300 0.195 0.000 1.065 105 M CA 1.882 57.281 55.300 0.165 0.000 1.114 105 M CB -0.354 32.331 32.600 0.142 0.000 1.361 105 M HN 0.417 nan 8.290 nan 0.000 0.408 106 I N 0.531 121.195 120.570 0.156 0.000 2.142 106 I HA -0.319 3.852 4.170 0.001 0.000 0.240 106 I C 1.933 178.131 176.117 0.136 0.000 1.078 106 I CA 1.370 62.744 61.300 0.123 0.000 1.343 106 I CB -0.897 37.161 38.000 0.096 0.000 1.046 106 I HN 0.308 nan 8.210 nan 0.000 0.405 107 D N -0.128 120.377 120.400 0.174 0.000 2.123 107 D HA -0.250 4.391 4.640 0.001 0.000 0.196 107 D C 2.003 178.489 176.300 0.310 0.000 0.992 107 D CA 1.691 55.817 54.000 0.209 0.000 0.833 107 D CB -0.446 40.485 40.800 0.219 0.000 0.954 107 D HN 0.451 nan 8.370 nan 0.000 0.455 108 H N 0.791 120.031 119.070 0.283 0.000 2.321 108 H HA -0.029 4.527 4.556 0.001 0.000 0.300 108 H C 2.238 177.675 175.328 0.182 0.000 1.087 108 H CA 1.338 57.608 56.048 0.369 0.000 1.319 108 H CB -0.368 29.567 29.762 0.287 0.000 1.379 108 H HN 0.054 nan 8.280 nan 0.000 0.501 109 I N 0.330 120.958 120.570 0.097 0.000 2.208 109 I HA -0.327 3.843 4.170 0.001 0.000 0.245 109 I C 2.002 178.010 176.117 -0.183 0.000 1.097 109 I CA 1.307 62.548 61.300 -0.098 0.000 1.363 109 I CB -0.340 37.629 38.000 -0.050 0.000 1.051 109 I HN 0.420 nan 8.210 nan 0.000 0.413 110 N N 1.020 119.667 118.700 -0.089 0.000 2.142 110 N HA -0.108 4.633 4.740 0.001 0.000 0.186 110 N C 1.914 177.301 175.510 -0.205 0.000 1.023 110 N CA 1.646 54.628 53.050 -0.113 0.000 0.852 110 N CB -0.575 37.890 38.487 -0.036 0.000 0.998 110 N HN 0.425 nan 8.380 nan 0.000 0.424 111 G N 1.184 109.808 108.800 -0.293 0.000 2.421 111 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 111 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 111 G C 1.774 176.346 174.900 -0.547 0.000 1.171 111 G CA 0.814 45.482 45.100 -0.720 0.000 0.775 111 G HN 0.166 nan 8.290 nan 0.000 0.543 112 V N 1.084 120.767 119.914 -0.384 0.000 2.244 112 V HA -0.167 3.953 4.120 0.001 0.000 0.244 112 V C 2.891 178.911 176.094 -0.123 0.000 1.042 112 V CA 2.071 64.320 62.300 -0.085 0.000 1.006 112 V CB -0.526 31.250 31.823 -0.078 0.000 0.641 112 V HN 0.327 nan 8.190 nan 0.000 0.446 113 M N 0.361 119.772 119.600 -0.315 0.000 2.213 113 M HA -0.089 4.391 4.480 0.001 0.000 0.263 113 M C 2.212 178.437 176.300 -0.125 0.000 1.062 113 M CA 1.873 57.022 55.300 -0.251 0.000 1.105 113 M CB -0.806 31.541 32.600 -0.423 0.000 1.385 113 M HN 0.533 nan 8.290 nan 0.000 0.417 114 G N -0.824 107.863 108.800 -0.188 0.000 2.433 114 G HA2 -0.292 3.669 3.960 0.001 0.000 0.216 114 G HA3 -0.292 3.669 3.960 0.001 0.000 0.216 114 G C 1.162 175.925 174.900 -0.227 0.000 1.186 114 G CA 1.349 46.345 45.100 -0.173 0.000 0.779 114 G HN 0.464 nan 8.290 nan 0.000 0.543 115 H N -0.389 118.384 119.070 -0.494 0.000 2.352 115 H HA -0.080 4.477 4.556 0.001 0.000 0.299 115 H C 1.442 176.329 175.328 -0.735 0.000 1.097 115 H CA 1.475 57.039 56.048 -0.806 0.000 1.311 115 H CB -0.160 28.560 29.762 -1.737 0.000 1.377 115 H HN 0.423 nan 8.280 nan 0.000 0.504 116 Y N 0.490 120.595 120.300 -0.325 0.000 2.493 116 Y HA 0.187 4.737 4.550 0.001 0.000 0.275 116 Y C 0.695 176.529 175.900 -0.111 0.000 1.183 116 Y CA -0.344 57.601 58.100 -0.259 0.000 1.258 116 Y CB -0.155 38.317 38.460 0.020 0.000 1.108 116 Y HN 0.023 nan 8.280 nan 0.000 0.521 117 K N 0.891 121.281 120.400 -0.016 0.000 2.440 117 K HA 0.077 4.398 4.320 0.001 0.000 0.275 117 K C 1.247 177.855 176.600 0.013 0.000 1.082 117 K CA 1.286 57.581 56.287 0.013 0.000 1.135 117 K CB -0.339 32.132 32.500 -0.047 0.000 0.864 117 K HN 0.632 nan 8.250 nan 0.000 0.479 118 G N 3.819 112.657 108.800 0.064 0.000 2.179 118 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 118 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 118 G C 0.553 175.485 174.900 0.054 0.000 0.977 118 G CA 0.703 45.833 45.100 0.050 0.000 0.641 118 G HN 0.727 nan 8.290 nan 0.000 0.533 119 K N -0.606 119.827 120.400 0.056 0.000 2.360 119 K HA 0.364 4.684 4.320 0.001 0.000 0.196 119 K C 0.540 177.189 176.600 0.081 0.000 1.049 119 K CA 0.014 56.344 56.287 0.072 0.000 1.049 119 K CB 0.811 33.257 32.500 -0.091 0.000 0.881 119 K HN 0.327 nan 8.250 nan 0.000 0.542 120 I N 1.115 121.700 120.570 0.024 0.000 2.339 120 I HA 0.190 4.360 4.170 0.001 0.000 0.290 120 I C 1.148 177.213 176.117 -0.088 0.000 0.994 120 I CA -0.299 60.917 61.300 -0.141 0.000 1.191 120 I CB 1.002 38.732 38.000 -0.451 0.000 1.343 120 I HN -0.005 nan 8.210 nan 0.000 0.458 121 A N 6.378 129.126 122.820 -0.119 0.000 1.873 121 A HA -0.051 4.270 4.320 0.001 0.000 0.215 121 A C 0.804 178.365 177.584 -0.039 0.000 1.186 121 A CA 1.154 53.152 52.037 -0.064 0.000 0.616 121 A CB 0.026 18.965 19.000 -0.102 0.000 0.823 121 A HN 0.779 nan 8.150 nan 0.000 0.442 122 Q N -2.995 116.735 119.800 -0.117 0.000 2.359 122 Q HA 0.465 4.806 4.340 0.001 0.000 0.274 122 Q C -2.053 173.881 176.000 -0.111 0.000 1.074 122 Q CA -0.290 55.496 55.803 -0.028 0.000 0.810 122 Q CB 2.099 30.839 28.738 0.003 0.000 1.342 122 Q HN 0.551 nan 8.270 nan 0.000 0.427 123 W N 1.616 122.945 121.300 0.048 0.000 2.600 123 W HA 0.309 4.970 4.660 0.001 0.000 0.325 123 W C -0.646 175.894 176.519 0.036 0.000 1.034 123 W CA -0.455 56.910 57.345 0.034 0.000 1.226 123 W CB 1.615 31.087 29.460 0.020 0.000 1.379 123 W HN 0.440 nan 8.180 nan 0.000 0.466 124 D N 3.599 124.201 120.400 0.336 0.000 2.435 124 D HA 0.060 4.701 4.640 0.001 0.000 0.230 124 D C 1.107 177.501 176.300 0.157 0.000 1.215 124 D CA 0.233 54.344 54.000 0.185 0.000 0.947 124 D CB 1.362 42.257 40.800 0.158 0.000 1.048 124 D HN 0.123 nan 8.370 nan 0.000 0.512 125 V N 2.011 121.947 119.914 0.036 0.000 2.270 125 V HA -0.109 4.011 4.120 0.001 0.000 0.245 125 V C 1.102 177.127 176.094 -0.115 0.000 1.043 125 V CA 0.987 63.185 62.300 -0.169 0.000 1.014 125 V CB 0.051 31.486 31.823 -0.646 0.000 0.645 125 V HN 0.264 nan 8.190 nan 0.000 0.447 126 V N 0.853 120.717 119.914 -0.083 0.000 2.555 126 V HA 0.498 4.619 4.120 0.001 0.000 0.302 126 V C -0.716 175.357 176.094 -0.035 0.000 1.038 126 V CA -0.661 61.700 62.300 0.102 0.000 0.887 126 V CB 1.656 33.638 31.823 0.265 0.000 0.991 126 V HN 0.482 nan 8.190 nan 0.000 0.434 127 N N 2.247 120.937 118.700 -0.017 0.000 2.296 127 N HA 0.363 5.104 4.740 0.001 0.000 0.294 127 N C -0.534 174.949 175.510 -0.045 0.000 1.033 127 N CA -0.532 52.330 53.050 -0.314 0.000 0.839 127 N CB 1.324 39.345 38.487 -0.776 0.000 1.395 127 N HN 0.765 nan 8.380 nan 0.000 0.479 128 E N 1.320 121.485 120.200 -0.058 0.000 2.273 128 E HA -0.252 4.099 4.350 0.001 0.000 0.177 128 E C -0.347 176.547 176.600 0.489 0.000 1.511 128 E CA 0.590 57.152 56.400 0.270 0.000 0.675 128 E CB -1.439 28.577 29.700 0.526 0.000 1.094 128 E HN 0.570 nan 8.360 nan 0.000 0.348 129 A N 0.603 123.787 122.820 0.605 0.000 2.308 129 A HA 0.304 4.624 4.320 0.001 0.000 0.217 129 A C 0.064 177.799 177.584 0.250 0.000 1.216 129 A CA 0.183 52.549 52.037 0.549 0.000 0.864 129 A CB 0.326 19.653 19.000 0.546 0.000 0.902 129 A HN 0.252 nan 8.150 nan 0.000 0.499 130 F N 0.217 120.278 119.950 0.184 0.000 2.480 130 F HA 0.480 5.007 4.527 0.001 0.000 0.329 130 F C 0.976 176.802 175.800 0.044 0.000 1.091 130 F CA -0.921 57.132 58.000 0.089 0.000 0.972 130 F CB 1.709 40.744 39.000 0.058 0.000 1.150 130 F HN 0.071 nan 8.300 nan 0.000 0.467 131 S N 0.262 116.059 115.700 0.163 0.000 2.645 131 S HA 0.271 4.741 4.470 0.001 0.000 0.266 131 S C 0.079 174.756 174.600 0.128 0.000 1.258 131 S CA -0.696 57.572 58.200 0.114 0.000 0.990 131 S CB 0.980 64.218 63.200 0.062 0.000 0.967 131 S HN 0.597 nan 8.310 nan 0.000 0.556 132 D N 0.305 120.780 120.400 0.125 0.000 2.368 132 D HA 0.071 4.712 4.640 0.001 0.000 0.218 132 D C 0.699 177.039 176.300 0.066 0.000 1.112 132 D CA 0.359 54.437 54.000 0.130 0.000 0.834 132 D CB -0.032 40.891 40.800 0.205 0.000 0.953 132 D HN 0.804 nan 8.370 nan 0.000 0.505 133 D N 0.127 120.556 120.400 0.049 0.000 2.264 133 D HA -0.062 4.578 4.640 0.001 0.000 0.208 133 D C 1.661 177.948 176.300 -0.022 0.000 0.966 133 D CA 1.216 55.224 54.000 0.014 0.000 0.864 133 D CB -0.164 40.645 40.800 0.015 0.000 0.933 133 D HN 0.184 nan 8.370 nan 0.000 0.499 134 G N -0.801 107.987 108.800 -0.021 0.000 2.184 134 G HA2 -0.288 3.673 3.960 0.001 0.000 0.206 134 G HA3 -0.288 3.673 3.960 0.001 0.000 0.206 134 G C 1.123 176.004 174.900 -0.031 0.000 0.995 134 G CA 0.647 45.709 45.100 -0.063 0.000 0.651 134 G HN 0.644 nan 8.290 nan 0.000 0.511 135 S N -0.327 115.375 115.700 0.003 0.000 2.470 135 S HA 0.404 4.874 4.470 0.001 0.000 0.225 135 S C 2.278 176.900 174.600 0.038 0.000 1.006 135 S CA 1.525 59.732 58.200 0.011 0.000 0.934 135 S CB 0.205 63.413 63.200 0.013 0.000 0.778 135 S HN 2.322 nan 8.310 nan 0.000 0.517 136 G N 0.610 109.457 108.800 0.077 0.000 2.143 136 G HA2 -0.075 3.886 3.960 0.001 0.000 0.249 136 G HA3 -0.075 3.886 3.960 0.001 0.000 0.249 136 G C 0.340 175.378 174.900 0.231 0.000 0.981 136 G CA -0.024 45.160 45.100 0.140 0.000 0.665 136 G HN 1.064 nan 8.290 nan 0.000 0.528 137 G N -0.985 107.897 108.800 0.137 0.000 2.531 137 G HA2 0.637 4.597 3.960 0.001 0.000 0.313 137 G HA3 0.637 4.597 3.960 0.001 0.000 0.313 137 G C 0.283 175.110 174.900 -0.122 0.000 1.238 137 G CA -0.862 44.259 45.100 0.035 0.000 0.994 137 G HN 0.326 nan 8.290 nan 0.000 0.493 138 R N -0.189 120.109 120.500 -0.337 0.000 2.784 138 R HA 0.088 4.429 4.340 0.001 0.000 0.266 138 R C 0.697 176.904 176.300 -0.155 0.000 1.044 138 R CA -0.256 55.580 56.100 -0.440 0.000 1.151 138 R CB 0.411 30.541 30.300 -0.283 0.000 1.037 138 R HN 0.655 nan 8.270 nan 0.000 0.478 139 R N 1.380 121.826 120.500 -0.090 0.000 2.357 139 R HA 0.014 4.354 4.340 0.001 0.000 0.296 139 R C -0.781 175.491 176.300 -0.047 0.000 1.052 139 R CA -0.371 55.702 56.100 -0.044 0.000 0.988 139 R CB 0.619 30.883 30.300 -0.060 0.000 1.025 139 R HN 0.460 nan 8.270 nan 0.000 0.469 140 D N 2.562 122.930 120.400 -0.053 0.000 2.359 140 D HA 0.072 4.712 4.640 0.001 0.000 0.250 140 D C -0.992 175.258 176.300 -0.083 0.000 1.264 140 D CA 0.251 54.219 54.000 -0.054 0.000 0.911 140 D CB 0.585 41.362 40.800 -0.038 0.000 1.056 140 D HN 0.556 nan 8.370 nan 0.000 0.499 141 S N 2.627 118.262 115.700 -0.108 0.000 2.627 141 S HA 0.292 4.762 4.470 0.001 0.000 0.283 141 S C 1.206 175.699 174.600 -0.178 0.000 1.127 141 S CA -0.900 57.218 58.200 -0.136 0.000 0.863 141 S CB 1.244 64.353 63.200 -0.151 0.000 1.121 141 S HN 0.415 nan 8.310 nan 0.000 0.479 142 N N 1.422 120.021 118.700 -0.168 0.000 2.192 142 N HA -0.159 4.581 4.740 0.001 0.000 0.188 142 N C 1.500 176.846 175.510 -0.274 0.000 1.013 142 N CA 1.439 54.383 53.050 -0.178 0.000 0.863 142 N CB -0.897 37.497 38.487 -0.156 0.000 0.990 142 N HN 0.688 nan 8.380 nan 0.000 0.430 143 L N -0.171 120.794 121.223 -0.431 0.000 2.109 143 L HA -0.096 4.245 4.340 0.001 0.000 0.207 143 L C 2.833 179.078 176.870 -1.042 0.000 1.086 143 L CA 1.148 55.515 54.840 -0.789 0.000 0.760 143 L CB -0.427 40.916 42.059 -1.192 0.000 0.910 143 L HN 0.206 nan 8.230 nan 0.000 0.437 144 Q N 0.752 120.118 119.800 -0.724 0.000 2.123 144 Q HA -0.140 4.200 4.340 0.001 0.000 0.199 144 Q C 2.076 178.008 176.000 -0.114 0.000 0.966 144 Q CA 1.418 57.041 55.803 -0.300 0.000 0.845 144 Q CB -0.008 28.728 28.738 -0.004 0.000 0.907 144 Q HN 0.280 nan 8.270 nan 0.000 0.439 145 R N -0.406 120.011 120.500 -0.139 0.000 2.328 145 R HA -0.016 4.324 4.340 0.001 0.000 0.207 145 R C 1.687 177.957 176.300 -0.051 0.000 1.056 145 R CA 1.311 57.369 56.100 -0.069 0.000 1.016 145 R CB -0.231 30.026 30.300 -0.073 0.000 0.872 145 R HN 0.412 nan 8.270 nan 0.000 0.471 146 T N -2.827 111.679 114.554 -0.080 0.000 3.129 146 T HA 0.243 4.593 4.350 0.001 0.000 0.251 146 T C 0.736 175.468 174.700 0.054 0.000 1.117 146 T CA 0.277 62.362 62.100 -0.026 0.000 1.034 146 T CB 0.733 69.570 68.868 -0.052 0.000 0.968 146 T HN 0.284 nan 8.240 nan 0.000 0.526 147 G N 1.027 109.885 108.800 0.096 0.000 2.760 147 G HA2 -0.047 3.914 3.960 0.001 0.000 0.540 147 G HA3 -0.047 3.914 3.960 0.001 0.000 0.540 147 G C -0.077 174.998 174.900 0.292 0.000 1.476 147 G CA -0.326 44.867 45.100 0.155 0.000 0.949 147 G HN 0.126 nan 8.290 nan 0.000 0.633 148 N N 0.828 119.659 118.700 0.219 0.000 2.322 148 N HA -0.155 4.585 4.740 0.001 0.000 0.189 148 N C 1.867 177.484 175.510 0.178 0.000 1.012 148 N CA 2.130 55.310 53.050 0.217 0.000 0.880 148 N CB 0.169 38.718 38.487 0.104 0.000 0.967 148 N HN 0.683 nan 8.380 nan 0.000 0.439 149 D N -0.479 120.025 120.400 0.174 0.000 2.349 149 D HA -0.125 4.516 4.640 0.001 0.000 0.224 149 D C 1.702 178.097 176.300 0.158 0.000 1.029 149 D CA -0.010 54.061 54.000 0.119 0.000 0.879 149 D CB -0.878 39.977 40.800 0.091 0.000 0.906 149 D HN 0.593 nan 8.370 nan 0.000 0.528 150 W N 1.585 122.940 121.300 0.092 0.000 2.338 150 W HA -0.131 4.530 4.660 0.001 0.000 0.304 150 W C 1.588 178.199 176.519 0.154 0.000 1.212 150 W CA 0.187 57.592 57.345 0.101 0.000 1.264 150 W CB -1.133 28.379 29.460 0.087 0.000 1.142 150 W HN -0.092 nan 8.180 nan 0.000 0.512 151 I N 1.352 121.585 120.570 -0.562 0.000 2.208 151 I HA -0.302 3.869 4.170 0.001 0.000 0.245 151 I C 2.788 178.981 176.117 0.126 0.000 1.097 151 I CA 2.221 63.292 61.300 -0.382 0.000 1.363 151 I CB -0.720 37.050 38.000 -0.383 0.000 1.051 151 I HN 0.060 nan 8.210 nan 0.000 0.413 152 E N 0.927 121.141 120.200 0.022 0.000 2.077 152 E HA -0.183 4.168 4.350 0.001 0.000 0.193 152 E C 2.342 178.935 176.600 -0.011 0.000 0.989 152 E CA 1.373 57.671 56.400 -0.169 0.000 0.800 152 E CB 0.177 29.713 29.700 -0.273 0.000 0.746 152 E HN 0.262 nan 8.360 nan 0.000 0.452 153 V N 1.307 121.252 119.914 0.051 0.000 2.295 153 V HA -0.295 3.825 4.120 0.001 0.000 0.246 153 V C 2.476 178.621 176.094 0.085 0.000 1.049 153 V CA 1.845 64.190 62.300 0.076 0.000 1.024 153 V CB -0.881 31.013 31.823 0.118 0.000 0.648 153 V HN 0.431 nan 8.190 nan 0.000 0.447 154 A N -0.440 122.445 122.820 0.108 0.000 1.892 154 A HA -0.243 4.078 4.320 0.001 0.000 0.218 154 A C 2.052 179.590 177.584 -0.077 0.000 1.188 154 A CA 2.185 54.238 52.037 0.026 0.000 0.631 154 A CB -0.783 18.227 19.000 0.016 0.000 0.822 154 A HN 0.480 nan 8.150 nan 0.000 0.447 155 F N -0.388 119.572 119.950 0.016 0.000 2.186 155 F HA -0.070 4.457 4.527 0.001 0.000 0.299 155 F C 2.598 178.384 175.800 -0.022 0.000 1.090 155 F CA 1.636 59.639 58.000 0.005 0.000 1.307 155 F CB -0.240 38.750 39.000 -0.017 0.000 1.019 155 F HN 0.102 nan 8.300 nan 0.000 0.489 156 R N -0.577 119.998 120.500 0.124 0.000 2.075 156 R HA -0.103 4.237 4.340 0.001 0.000 0.232 156 R C 2.070 178.392 176.300 0.036 0.000 1.126 156 R CA 1.854 57.986 56.100 0.054 0.000 0.963 156 R CB -0.959 29.349 30.300 0.015 0.000 0.858 156 R HN 0.208 nan 8.270 nan 0.000 0.435 157 T N 1.004 115.574 114.554 0.026 0.000 2.708 157 T HA -0.141 4.209 4.350 0.001 0.000 0.266 157 T C 2.004 176.689 174.700 -0.024 0.000 1.037 157 T CA 1.417 63.520 62.100 0.005 0.000 1.146 157 T CB -0.283 68.590 68.868 0.009 0.000 0.865 157 T HN 0.367 nan 8.240 nan 0.000 0.435 158 A N 2.020 124.813 122.820 -0.045 0.000 1.865 158 A HA -0.145 4.175 4.320 0.001 0.000 0.217 158 A C 2.268 179.842 177.584 -0.017 0.000 1.191 158 A CA 2.140 54.128 52.037 -0.082 0.000 0.623 158 A CB -0.650 18.276 19.000 -0.125 0.000 0.826 158 A HN 0.355 nan 8.150 nan 0.000 0.444 159 R N 0.246 120.771 120.500 0.042 0.000 2.117 159 R HA -0.122 4.219 4.340 0.001 0.000 0.243 159 R C 2.073 178.390 176.300 0.028 0.000 1.143 159 R CA 2.123 58.258 56.100 0.058 0.000 0.968 159 R CB -0.851 29.493 30.300 0.073 0.000 0.863 159 R HN 0.427 nan 8.270 nan 0.000 0.444 160 A N 0.219 123.046 122.820 0.013 0.000 1.858 160 A HA -0.010 4.310 4.320 0.001 0.000 0.216 160 A C 2.440 180.018 177.584 -0.011 0.000 1.190 160 A CA 1.835 53.874 52.037 0.003 0.000 0.617 160 A CB -1.299 17.701 19.000 0.000 0.000 0.827 160 A HN 0.504 nan 8.150 nan 0.000 0.443 161 A N -1.158 121.642 122.820 -0.033 0.000 1.892 161 A HA -0.085 4.236 4.320 0.001 0.000 0.218 161 A C 1.045 178.607 177.584 -0.038 0.000 1.188 161 A CA 2.054 54.056 52.037 -0.057 0.000 0.631 161 A CB -0.248 18.684 19.000 -0.113 0.000 0.822 161 A HN 0.481 nan 8.150 nan 0.000 0.447 162 D N -2.760 117.631 120.400 -0.014 0.000 2.319 162 D HA 0.247 4.888 4.640 0.001 0.000 0.237 162 D C -2.342 173.994 176.300 0.060 0.000 1.353 162 D CA -1.460 52.557 54.000 0.030 0.000 0.992 162 D CB 1.355 42.196 40.800 0.067 0.000 1.368 162 D HN 0.025 nan 8.370 nan 0.000 0.564 163 P HA 0.007 nan 4.420 nan 0.000 0.226 163 P C 0.925 178.269 177.300 0.074 0.000 1.153 163 P CA 0.299 63.435 63.100 0.060 0.000 0.777 163 P CB 0.404 32.129 31.700 0.042 0.000 0.794 164 A N -0.228 122.638 122.820 0.076 0.000 2.169 164 A HA 0.379 4.700 4.320 0.001 0.000 0.212 164 A C 1.409 179.054 177.584 0.102 0.000 1.153 164 A CA 0.360 52.443 52.037 0.077 0.000 0.756 164 A CB -0.629 18.410 19.000 0.064 0.000 0.813 164 A HN 0.286 nan 8.150 nan 0.000 0.471 165 A N 0.378 123.283 122.820 0.141 0.000 2.309 165 A HA 0.540 4.861 4.320 0.001 0.000 0.298 165 A C -0.025 177.672 177.584 0.188 0.000 1.165 165 A CA -0.576 51.575 52.037 0.190 0.000 0.821 165 A CB 0.276 19.483 19.000 0.346 0.000 1.102 165 A HN 0.347 nan 8.150 nan 0.000 0.500 166 K N 2.023 122.525 120.400 0.170 0.000 2.339 166 K HA 0.349 4.669 4.320 0.001 0.000 0.286 166 K C -0.931 175.811 176.600 0.237 0.000 1.050 166 K CA 0.164 56.556 56.287 0.176 0.000 0.956 166 K CB 0.590 33.175 32.500 0.143 0.000 0.990 166 K HN 0.593 nan 8.250 nan 0.000 0.475 167 L N 4.008 125.398 121.223 0.279 0.000 2.265 167 L HA 0.331 4.671 4.340 0.001 0.000 0.288 167 L C -0.313 176.838 176.870 0.468 0.000 1.058 167 L CA -0.892 54.179 54.840 0.386 0.000 0.809 167 L CB 0.825 43.171 42.059 0.479 0.000 1.179 167 L HN 0.646 nan 8.230 nan 0.000 0.429 168 c N 2.063 120.915 118.600 0.421 0.000 2.529 168 c HA 0.451 5.022 4.570 0.001 0.000 0.329 168 c C -0.229 174.141 174.090 0.466 0.000 1.194 168 c CA -0.889 55.660 56.329 0.367 0.000 1.779 168 c CB 1.489 44.109 42.510 0.184 0.000 2.322 168 c HN 0.641 nan 8.230 nan 0.000 0.500 169 Y N 2.696 123.180 120.300 0.307 0.000 2.331 169 Y HA 0.514 5.064 4.550 0.001 0.000 0.338 169 Y C -0.213 175.686 175.900 -0.002 0.000 0.976 169 Y CA -0.265 57.992 58.100 0.262 0.000 1.137 169 Y CB 0.392 38.952 38.460 0.165 0.000 1.172 169 Y HN 0.783 nan 8.280 nan 0.000 0.478 170 N N 4.430 122.677 118.700 -0.755 0.000 2.362 170 N HA 0.421 5.161 4.740 0.001 0.000 0.298 170 N C -1.893 173.169 175.510 -0.747 0.000 1.048 170 N CA -0.276 52.406 53.050 -0.614 0.000 0.858 170 N CB 1.206 39.491 38.487 -0.337 0.000 1.218 170 N HN 0.781 nan 8.380 nan 0.000 0.488 171 D N 0.228 120.318 120.400 -0.516 0.000 2.665 171 D HA 0.253 4.894 4.640 0.001 0.000 0.287 171 D C -1.455 174.743 176.300 -0.169 0.000 1.266 171 D CA -0.272 53.542 54.000 -0.310 0.000 0.830 171 D CB 0.921 41.569 40.800 -0.253 0.000 1.356 171 D HN 0.422 nan 8.370 nan 0.000 0.437 172 Y N -0.547 119.700 120.300 -0.087 0.000 2.621 172 Y HA 0.520 5.071 4.550 0.001 0.000 0.334 172 Y C 0.704 176.609 175.900 0.007 0.000 1.074 172 Y CA -0.913 57.151 58.100 -0.060 0.000 1.149 172 Y CB 0.604 39.086 38.460 0.037 0.000 1.302 172 Y HN 0.584 nan 8.280 nan 0.000 0.501 173 N N 0.482 119.209 118.700 0.045 0.000 2.741 173 N HA -0.225 4.515 4.740 0.001 0.000 0.250 173 N C -0.098 175.372 175.510 -0.066 0.000 1.115 173 N CA 0.987 54.015 53.050 -0.036 0.000 0.724 173 N CB -0.973 37.631 38.487 0.194 0.000 1.090 173 N HN 0.798 nan 8.380 nan 0.000 0.558 174 I N -3.543 117.001 120.570 -0.043 0.000 3.856 174 I HA 0.281 4.452 4.170 0.001 0.000 0.330 174 I C 0.725 176.999 176.117 0.263 0.000 1.546 174 I CA -0.389 60.953 61.300 0.070 0.000 1.132 174 I CB 0.520 38.508 38.000 -0.019 0.000 1.157 174 I HN -0.149 nan 8.210 nan 0.000 0.440 175 E N 1.061 121.321 120.200 0.100 0.000 2.216 175 E HA 0.082 4.433 4.350 0.001 0.000 0.192 175 E C 0.697 177.384 176.600 0.145 0.000 0.973 175 E CA 0.304 56.801 56.400 0.161 0.000 0.851 175 E CB 0.071 29.641 29.700 -0.217 0.000 0.804 175 E HN 0.360 nan 8.360 nan 0.000 0.477 176 N N 0.771 119.382 118.700 -0.147 0.000 2.411 176 N HA -0.068 4.673 4.740 0.001 0.000 0.259 176 N C 0.119 175.694 175.510 0.109 0.000 1.103 176 N CA -0.070 52.886 53.050 -0.158 0.000 0.954 176 N CB 0.299 38.392 38.487 -0.656 0.000 1.085 176 N HN 0.285 nan 8.380 nan 0.000 0.485 177 W N 3.501 124.824 121.300 0.037 0.000 2.364 177 W HA -0.204 4.457 4.660 0.001 0.000 0.281 177 W C 1.191 177.776 176.519 0.111 0.000 1.219 177 W CA 1.848 59.236 57.345 0.071 0.000 1.220 177 W CB 0.148 29.615 29.460 0.012 0.000 1.127 177 W HN 0.610 nan 8.180 nan 0.000 0.556 178 T N -2.977 111.673 114.554 0.160 0.000 3.160 178 T HA -0.101 4.250 4.350 0.001 0.000 0.257 178 T C 0.146 174.965 174.700 0.199 0.000 1.147 178 T CA -0.030 62.133 62.100 0.106 0.000 1.064 178 T CB -0.608 68.376 68.868 0.192 0.000 0.949 178 T HN -0.055 nan 8.240 nan 0.000 0.526 179 W N 1.145 122.391 121.300 -0.090 0.000 2.261 179 W HA 0.729 5.389 4.660 0.001 0.000 0.323 179 W C 1.477 177.928 176.519 -0.113 0.000 1.243 179 W CA -1.347 55.961 57.345 -0.063 0.000 1.210 179 W CB 0.615 30.073 29.460 -0.003 0.000 1.149 179 W HN 0.149 nan 8.180 nan 0.000 0.562 180 A N 2.960 125.817 122.820 0.062 0.000 1.933 180 A HA -0.221 4.100 4.320 0.001 0.000 0.218 180 A C 2.036 179.649 177.584 0.049 0.000 1.175 180 A CA 1.822 53.863 52.037 0.006 0.000 0.628 180 A CB -0.475 18.514 19.000 -0.018 0.000 0.814 180 A HN 0.720 nan 8.150 nan 0.000 0.444 181 K N -0.734 119.741 120.400 0.126 0.000 2.026 181 K HA -0.144 4.177 4.320 0.001 0.000 0.208 181 K C 2.014 178.615 176.600 0.002 0.000 1.048 181 K CA 1.916 58.269 56.287 0.110 0.000 0.929 181 K CB -0.380 32.226 32.500 0.176 0.000 0.713 181 K HN 0.445 nan 8.250 nan 0.000 0.439 182 T N 1.486 116.090 114.554 0.084 0.000 2.720 182 T HA -0.155 4.195 4.350 0.001 0.000 0.268 182 T C 1.801 176.514 174.700 0.021 0.000 1.037 182 T CA 1.260 63.420 62.100 0.099 0.000 1.144 182 T CB -0.162 68.795 68.868 0.149 0.000 0.864 182 T HN 0.292 nan 8.240 nan 0.000 0.444 183 Q N 0.456 120.178 119.800 -0.130 0.000 2.119 183 Q HA 0.032 4.373 4.340 0.001 0.000 0.201 183 Q C 2.777 178.743 176.000 -0.058 0.000 0.972 183 Q CA 1.508 57.209 55.803 -0.169 0.000 0.847 183 Q CB -1.028 27.574 28.738 -0.228 0.000 0.903 183 Q HN 0.624 nan 8.270 nan 0.000 0.433 184 G N 0.470 109.225 108.800 -0.076 0.000 2.440 184 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 184 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 184 G C 1.587 176.256 174.900 -0.385 0.000 1.154 184 G CA 1.102 46.173 45.100 -0.047 0.000 0.767 184 G HN 0.284 nan 8.290 nan 0.000 0.552 185 V N -0.322 119.184 119.914 -0.679 0.000 2.453 185 V HA -0.116 4.004 4.120 0.001 0.000 0.247 185 V C 2.240 178.241 176.094 -0.155 0.000 1.048 185 V CA 1.450 63.321 62.300 -0.715 0.000 1.049 185 V CB -0.683 30.847 31.823 -0.490 0.000 0.672 185 V HN 0.461 nan 8.190 nan 0.000 0.457 186 Y N 2.200 122.455 120.300 -0.076 0.000 2.145 186 Y HA -0.216 4.335 4.550 0.001 0.000 0.286 186 Y C 2.488 178.239 175.900 -0.247 0.000 1.145 186 Y CA 1.897 59.837 58.100 -0.266 0.000 1.148 186 Y CB -0.384 37.884 38.460 -0.320 0.000 0.981 186 Y HN 0.283 nan 8.280 nan 0.000 0.507 187 N N 0.101 118.637 118.700 -0.272 0.000 2.188 187 N HA -0.212 4.529 4.740 0.001 0.000 0.184 187 N C 2.073 177.389 175.510 -0.325 0.000 1.018 187 N CA 1.633 54.502 53.050 -0.302 0.000 0.858 187 N CB -0.543 37.878 38.487 -0.111 0.000 0.989 187 N HN 0.515 nan 8.380 nan 0.000 0.426 188 M N 0.812 120.210 119.600 -0.337 0.000 2.067 188 M HA -0.128 4.352 4.480 0.001 0.000 0.260 188 M C 1.721 177.568 176.300 -0.755 0.000 1.069 188 M CA 1.429 56.415 55.300 -0.523 0.000 1.117 188 M CB -0.006 32.263 32.600 -0.551 0.000 1.334 188 M HN -0.139 nan 8.290 nan 0.000 0.407 189 V N 0.552 120.105 119.914 -0.602 0.000 2.407 189 V HA -0.265 3.855 4.120 0.001 0.000 0.248 189 V C 2.582 178.503 176.094 -0.288 0.000 1.055 189 V CA 1.951 64.001 62.300 -0.417 0.000 1.049 189 V CB -1.046 30.691 31.823 -0.144 0.000 0.662 189 V HN 0.528 nan 8.190 nan 0.000 0.455 190 R N 0.156 120.405 120.500 -0.419 0.000 2.073 190 R HA -0.230 4.110 4.340 0.001 0.000 0.234 190 R C 2.177 178.371 176.300 -0.177 0.000 1.134 190 R CA 2.341 58.224 56.100 -0.361 0.000 0.952 190 R CB -0.541 29.431 30.300 -0.548 0.000 0.850 190 R HN 0.655 nan 8.270 nan 0.000 0.433 191 D N -0.297 120.008 120.400 -0.159 0.000 2.092 191 D HA -0.199 4.441 4.640 0.001 0.000 0.193 191 D C 1.805 178.179 176.300 0.124 0.000 0.994 191 D CA 1.395 55.383 54.000 -0.020 0.000 0.828 191 D CB -0.174 40.623 40.800 -0.004 0.000 0.963 191 D HN 0.092 nan 8.370 nan 0.000 0.450 192 F N 1.065 120.930 119.950 -0.142 0.000 2.065 192 F HA -0.122 4.405 4.527 0.001 0.000 0.298 192 F C 2.407 178.137 175.800 -0.117 0.000 1.112 192 F CA 1.032 58.946 58.000 -0.143 0.000 1.212 192 F CB -0.818 38.053 39.000 -0.214 0.000 0.975 192 F HN 0.027 nan 8.300 nan 0.000 0.476 193 K N 0.337 120.793 120.400 0.093 0.000 2.147 193 K HA -0.165 4.155 4.320 0.001 0.000 0.205 193 K C 1.994 178.597 176.600 0.006 0.000 1.049 193 K CA 1.131 57.432 56.287 0.024 0.000 0.936 193 K CB -0.407 32.091 32.500 -0.002 0.000 0.722 193 K HN 0.480 nan 8.250 nan 0.000 0.446 194 Q N -0.152 119.649 119.800 0.002 0.000 2.049 194 Q HA -0.052 4.289 4.340 0.001 0.000 0.198 194 Q C 1.902 177.900 176.000 -0.002 0.000 0.971 194 Q CA 1.040 56.840 55.803 -0.005 0.000 0.833 194 Q CB -0.079 28.651 28.738 -0.013 0.000 0.896 194 Q HN 0.211 nan 8.270 nan 0.000 0.434 195 R N -0.292 120.210 120.500 0.004 0.000 2.323 195 R HA 0.026 4.367 4.340 0.001 0.000 0.198 195 R C 0.956 177.237 176.300 -0.032 0.000 0.988 195 R CA 0.603 56.696 56.100 -0.012 0.000 1.041 195 R CB 0.163 30.456 30.300 -0.011 0.000 0.926 195 R HN 0.453 nan 8.270 nan 0.000 0.476 196 G N 0.656 109.438 108.800 -0.029 0.000 2.157 196 G HA2 -0.256 3.705 3.960 0.001 0.000 0.248 196 G HA3 -0.256 3.705 3.960 0.001 0.000 0.248 196 G C 0.249 175.103 174.900 -0.077 0.000 0.979 196 G CA -0.012 45.065 45.100 -0.038 0.000 0.650 196 G HN 0.148 nan 8.290 nan 0.000 0.529 197 V N 3.117 122.943 119.914 -0.147 0.000 2.509 197 V HA 0.233 4.353 4.120 0.001 0.000 0.297 197 V C -0.843 175.140 176.094 -0.185 0.000 1.014 197 V CA -0.106 62.020 62.300 -0.290 0.000 1.127 197 V CB 0.654 32.012 31.823 -0.774 0.000 0.925 197 V HN 0.349 nan 8.190 nan 0.000 0.480 198 P HA 0.238 nan 4.420 nan 0.000 0.263 198 P C -0.581 176.726 177.300 0.012 0.000 1.247 198 P CA 0.428 63.525 63.100 -0.004 0.000 0.876 198 P CB 0.526 32.258 31.700 0.053 0.000 0.928 199 I N 2.800 123.345 120.570 -0.041 0.000 2.610 199 I HA 0.253 4.423 4.170 0.001 0.000 0.289 199 I C -0.024 176.120 176.117 0.044 0.000 1.163 199 I CA -0.616 60.626 61.300 -0.095 0.000 1.044 199 I CB 2.347 40.100 38.000 -0.413 0.000 1.251 199 I HN 0.023 nan 8.210 nan 0.000 0.424 200 D N 5.844 126.325 120.400 0.135 0.000 2.423 200 D HA 0.158 4.799 4.640 0.001 0.000 0.212 200 D C 0.037 176.422 176.300 0.141 0.000 1.060 200 D CA 0.498 54.577 54.000 0.130 0.000 0.872 200 D CB 0.692 41.579 40.800 0.145 0.000 1.012 200 D HN 0.572 nan 8.370 nan 0.000 0.503 201 c N -0.607 118.094 118.600 0.169 0.000 3.086 201 c HA 0.773 5.344 4.570 0.001 0.000 0.311 201 c C -0.566 173.613 174.090 0.148 0.000 1.260 201 c CA -0.985 55.441 56.329 0.162 0.000 1.426 201 c CB 1.584 44.191 42.510 0.162 0.000 1.826 201 c HN -0.111 nan 8.230 nan 0.000 0.474 202 V N 1.712 121.683 119.914 0.095 0.000 2.487 202 V HA 0.780 4.900 4.120 0.001 0.000 0.298 202 V C 0.696 176.673 176.094 -0.194 0.000 1.028 202 V CA 0.245 62.495 62.300 -0.083 0.000 0.860 202 V CB 1.724 33.389 31.823 -0.263 0.000 0.991 202 V HN 1.329 nan 8.190 nan 0.000 0.427 203 G N 3.553 112.177 108.800 -0.293 0.000 2.343 203 G HA2 0.627 4.587 3.960 0.001 0.000 0.319 203 G HA3 0.627 4.587 3.960 0.001 0.000 0.319 203 G C -1.094 173.524 174.900 -0.469 0.000 1.126 203 G CA -0.268 44.694 45.100 -0.230 0.000 0.889 203 G HN 0.443 nan 8.290 nan 0.000 0.457 204 F N 1.380 121.265 119.950 -0.108 0.000 2.332 204 F HA 0.292 4.819 4.527 0.001 0.000 0.368 204 F C 1.663 177.338 175.800 -0.208 0.000 1.110 204 F CA -0.603 57.333 58.000 -0.105 0.000 1.087 204 F CB 1.918 40.978 39.000 0.101 0.000 1.235 204 F HN 0.538 nan 8.300 nan 0.000 0.470 205 Q N 1.245 120.914 119.800 -0.217 0.000 2.152 205 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 205 Q C 0.694 176.327 176.000 -0.612 0.000 0.985 205 Q CA 1.584 57.115 55.803 -0.454 0.000 0.863 205 Q CB -0.130 28.341 28.738 -0.444 0.000 0.904 205 Q HN 0.770 nan 8.270 nan 0.000 0.422 206 S N 0.349 115.700 115.700 -0.582 0.000 3.711 206 S HA -0.122 4.348 4.470 0.001 0.000 0.374 206 S C -0.839 173.080 174.600 -1.135 0.000 0.969 206 S CA 0.099 57.680 58.200 -1.032 0.000 1.198 206 S CB -1.486 61.365 63.200 -0.583 0.000 0.903 206 S HN 0.402 nan 8.310 nan 0.000 0.493 207 H N 0.655 119.320 119.070 -0.674 0.000 2.872 207 H HA 0.368 4.924 4.556 0.001 0.000 0.273 207 H C 0.015 175.114 175.328 -0.383 0.000 1.205 207 H CA -0.230 55.619 56.048 -0.332 0.000 1.342 207 H CB -0.163 29.565 29.762 -0.056 0.000 1.469 207 H HN 0.286 nan 8.280 nan 0.000 0.487 208 F N 3.041 123.032 119.950 0.068 0.000 2.404 208 F HA 0.216 4.743 4.527 0.001 0.000 0.339 208 F C 0.740 176.563 175.800 0.038 0.000 1.105 208 F CA -0.697 57.312 58.000 0.015 0.000 1.087 208 F CB 1.029 40.008 39.000 -0.036 0.000 1.143 208 F HN 0.539 nan 8.300 nan 0.000 0.491 209 N N -2.083 116.756 118.700 0.231 0.000 3.116 209 N HA 0.191 4.931 4.740 0.001 0.000 0.244 209 N C 0.152 175.738 175.510 0.128 0.000 1.485 209 N CA -0.346 52.788 53.050 0.140 0.000 0.884 209 N CB 0.469 39.008 38.487 0.087 0.000 1.415 209 N HN 0.250 nan 8.380 nan 0.000 0.524 210 S N -1.822 113.935 115.700 0.094 0.000 2.420 210 S HA -0.094 4.377 4.470 0.001 0.000 0.237 210 S C 1.706 176.373 174.600 0.112 0.000 1.023 210 S CA 1.343 59.597 58.200 0.089 0.000 0.991 210 S CB -1.310 61.929 63.200 0.065 0.000 0.792 210 S HN 0.823 nan 8.310 nan 0.000 0.488 211 G N 1.169 110.041 108.800 0.120 0.000 2.430 211 G HA2 0.136 4.097 3.960 0.001 0.000 0.216 211 G HA3 0.136 4.097 3.960 0.001 0.000 0.216 211 G C 0.696 175.738 174.900 0.237 0.000 1.146 211 G CA 0.589 45.781 45.100 0.153 0.000 0.793 211 G HN 0.965 nan 8.290 nan 0.000 0.537 212 S N 0.542 116.373 115.700 0.217 0.000 2.293 212 S HA 0.546 5.017 4.470 0.001 0.000 0.154 212 S C -3.153 171.554 174.600 0.177 0.000 1.602 212 S CA -1.362 56.965 58.200 0.212 0.000 1.260 212 S CB 2.294 65.598 63.200 0.174 0.000 1.270 212 S HN -0.043 nan 8.310 nan 0.000 0.416 213 P HA 0.114 nan 4.420 nan 0.000 0.269 213 P C -0.423 176.884 177.300 0.011 0.000 1.215 213 P CA -0.257 62.910 63.100 0.112 0.000 0.780 213 P CB 0.205 31.949 31.700 0.074 0.000 0.898 214 Y N 2.767 122.875 120.300 -0.320 0.000 2.497 214 Y HA 0.210 4.760 4.550 0.001 0.000 0.334 214 Y C 0.057 175.725 175.900 -0.386 0.000 1.199 214 Y CA 0.280 57.870 58.100 -0.850 0.000 1.425 214 Y CB 0.314 38.074 38.460 -1.166 0.000 1.291 214 Y HN 0.307 nan 8.280 nan 0.000 0.562 215 N N 2.522 120.456 118.700 -1.276 0.000 2.260 215 N HA 0.081 4.821 4.740 0.001 0.000 0.293 215 N C 0.249 175.107 175.510 -1.088 0.000 1.058 215 N CA 0.216 52.756 53.050 -0.849 0.000 0.824 215 N CB 2.095 40.362 38.487 -0.367 0.000 1.551 215 N HN 0.821 nan 8.380 nan 0.000 0.475 216 S N 2.522 117.858 115.700 -0.607 0.000 2.420 216 S HA -0.237 4.234 4.470 0.001 0.000 0.237 216 S C 1.245 175.751 174.600 -0.157 0.000 1.023 216 S CA 1.510 59.545 58.200 -0.275 0.000 0.991 216 S CB -0.566 62.599 63.200 -0.059 0.000 0.792 216 S HN 0.789 nan 8.310 nan 0.000 0.488 217 N N 1.182 119.798 118.700 -0.141 0.000 2.609 217 N HA -0.084 4.657 4.740 0.001 0.000 0.190 217 N C 1.032 176.545 175.510 0.005 0.000 1.157 217 N CA 0.579 53.600 53.050 -0.049 0.000 0.918 217 N CB -1.062 37.444 38.487 0.031 0.000 0.978 217 N HN 0.451 nan 8.380 nan 0.000 0.448 218 F N 1.782 121.603 119.950 -0.214 0.000 2.202 218 F HA -0.021 4.507 4.527 0.001 0.000 0.301 218 F C 2.290 178.009 175.800 -0.135 0.000 1.082 218 F CA 1.013 58.927 58.000 -0.144 0.000 1.313 218 F CB -0.326 38.611 39.000 -0.104 0.000 1.024 218 F HN 0.104 nan 8.300 nan 0.000 0.495 219 R N -0.487 119.892 120.500 -0.202 0.000 2.115 219 R HA -0.115 4.226 4.340 0.001 0.000 0.230 219 R C 1.957 178.071 176.300 -0.309 0.000 1.111 219 R CA 1.801 57.708 56.100 -0.322 0.000 0.976 219 R CB -0.419 29.780 30.300 -0.168 0.000 0.870 219 R HN 0.284 nan 8.270 nan 0.000 0.445 220 T N -0.123 114.275 114.554 -0.260 0.000 2.777 220 T HA -0.099 4.251 4.350 0.001 0.000 0.266 220 T C 1.702 176.116 174.700 -0.477 0.000 1.040 220 T CA 1.836 63.714 62.100 -0.370 0.000 1.141 220 T CB -0.330 68.299 68.868 -0.399 0.000 0.868 220 T HN 0.327 nan 8.240 nan 0.000 0.444 221 T N 2.662 117.047 114.554 -0.282 0.000 2.684 221 T HA 0.005 4.356 4.350 0.001 0.000 0.267 221 T C 2.001 176.689 174.700 -0.020 0.000 1.036 221 T CA 0.976 63.070 62.100 -0.010 0.000 1.148 221 T CB -0.538 68.531 68.868 0.335 0.000 0.863 221 T HN 0.248 nan 8.240 nan 0.000 0.436 222 L N 0.645 121.639 121.223 -0.381 0.000 2.046 222 L HA -0.166 4.174 4.340 0.001 0.000 0.208 222 L C 2.882 179.661 176.870 -0.152 0.000 1.077 222 L CA 1.478 56.069 54.840 -0.415 0.000 0.747 222 L CB -0.611 41.051 42.059 -0.662 0.000 0.896 222 L HN 0.341 nan 8.230 nan 0.000 0.432 223 Q N -0.451 119.223 119.800 -0.211 0.000 2.119 223 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 223 Q C 1.998 177.916 176.000 -0.138 0.000 0.972 223 Q CA 1.129 56.834 55.803 -0.164 0.000 0.847 223 Q CB -0.065 28.550 28.738 -0.205 0.000 0.903 223 Q HN 0.483 nan 8.270 nan 0.000 0.433 224 N N 0.107 118.662 118.700 -0.241 0.000 2.142 224 N HA -0.096 4.645 4.740 0.001 0.000 0.186 224 N C 1.395 176.902 175.510 -0.005 0.000 1.023 224 N CA 1.086 53.959 53.050 -0.295 0.000 0.852 224 N CB -0.219 37.741 38.487 -0.878 0.000 0.998 224 N HN 0.165 nan 8.380 nan 0.000 0.424 225 F N 1.392 121.408 119.950 0.110 0.000 2.146 225 F HA 0.014 4.542 4.527 0.001 0.000 0.298 225 F C 2.372 178.253 175.800 0.136 0.000 1.096 225 F CA 0.892 59.043 58.000 0.252 0.000 1.275 225 F CB -0.543 38.669 39.000 0.354 0.000 1.008 225 F HN -0.003 nan 8.300 nan 0.000 0.480 226 A N 0.022 122.983 122.820 0.234 0.000 1.978 226 A HA -0.131 4.190 4.320 0.001 0.000 0.220 226 A C 2.361 179.993 177.584 0.080 0.000 1.170 226 A CA 1.715 53.827 52.037 0.124 0.000 0.636 226 A CB -1.253 17.774 19.000 0.045 0.000 0.810 226 A HN 0.312 nan 8.150 nan 0.000 0.448 227 A N -0.392 122.461 122.820 0.056 0.000 2.015 227 A HA 0.047 4.367 4.320 0.001 0.000 0.219 227 A C 1.962 179.572 177.584 0.044 0.000 1.163 227 A CA 1.212 53.267 52.037 0.030 0.000 0.646 227 A CB -0.513 18.489 19.000 0.003 0.000 0.806 227 A HN 0.485 nan 8.150 nan 0.000 0.448 228 L N -1.321 119.943 121.223 0.069 0.000 2.465 228 L HA 0.062 4.403 4.340 0.001 0.000 0.224 228 L C 1.656 178.549 176.870 0.038 0.000 1.145 228 L CA 0.681 55.541 54.840 0.032 0.000 0.834 228 L CB -0.372 41.687 42.059 -0.001 0.000 0.944 228 L HN 0.609 nan 8.230 nan 0.000 0.451 229 G N 0.455 109.290 108.800 0.059 0.000 2.131 229 G HA2 -0.200 3.761 3.960 0.001 0.000 0.201 229 G HA3 -0.200 3.761 3.960 0.001 0.000 0.201 229 G C 0.048 174.993 174.900 0.074 0.000 1.000 229 G CA -0.001 45.131 45.100 0.054 0.000 0.680 229 G HN 0.219 nan 8.290 nan 0.000 0.514 230 V N -2.793 117.187 119.914 0.110 0.000 2.864 230 V HA 0.846 4.966 4.120 0.001 0.000 0.314 230 V C -0.119 176.062 176.094 0.144 0.000 1.073 230 V CA -1.589 60.789 62.300 0.130 0.000 0.956 230 V CB 2.062 33.983 31.823 0.164 0.000 1.023 230 V HN 0.037 nan 8.190 nan 0.000 0.435 231 D N 1.655 122.134 120.400 0.131 0.000 2.358 231 D HA 0.550 5.191 4.640 0.001 0.000 0.244 231 D C 0.014 176.409 176.300 0.157 0.000 1.163 231 D CA 0.171 54.245 54.000 0.123 0.000 0.945 231 D CB 2.007 42.874 40.800 0.113 0.000 1.152 231 D HN 0.936 nan 8.370 nan 0.000 0.451 232 V N -2.720 117.278 119.914 0.141 0.000 2.914 232 V HA 0.936 5.057 4.120 0.001 0.000 0.314 232 V C -0.917 175.264 176.094 0.145 0.000 1.084 232 V CA -0.961 61.458 62.300 0.199 0.000 0.963 232 V CB 1.590 33.517 31.823 0.172 0.000 1.025 232 V HN 0.668 nan 8.190 nan 0.000 0.432 233 A N 4.163 127.111 122.820 0.213 0.000 2.488 233 A HA 0.826 5.146 4.320 0.001 0.000 0.298 233 A C -1.007 176.691 177.584 0.191 0.000 1.044 233 A CA -0.626 51.500 52.037 0.149 0.000 0.693 233 A CB 1.604 20.705 19.000 0.168 0.000 1.272 233 A HN 0.861 nan 8.150 nan 0.000 0.402 234 I N 3.613 124.248 120.570 0.109 0.000 2.308 234 I HA 0.161 4.332 4.170 0.001 0.000 0.293 234 I C 1.596 177.734 176.117 0.034 0.000 1.078 234 I CA 0.383 61.754 61.300 0.118 0.000 1.292 234 I CB -0.019 38.037 38.000 0.093 0.000 1.423 234 I HN 0.868 nan 8.210 nan 0.000 0.493 235 T N 1.924 116.462 114.554 -0.026 0.000 3.010 235 T HA 0.139 4.490 4.350 0.001 0.000 0.252 235 T C 0.794 175.392 174.700 -0.170 0.000 1.047 235 T CA 0.357 62.397 62.100 -0.100 0.000 1.140 235 T CB 0.111 68.871 68.868 -0.181 0.000 0.885 235 T HN 0.562 nan 8.240 nan 0.000 0.464 236 E N 0.895 120.897 120.200 -0.331 0.000 3.729 236 E HA 0.347 4.697 4.350 0.001 0.000 0.195 236 E C -1.085 175.317 176.600 -0.329 0.000 1.005 236 E CA -0.477 55.684 56.400 -0.398 0.000 1.356 236 E CB 0.689 29.725 29.700 -1.108 0.000 1.138 236 E HN 0.229 nan 8.360 nan 0.000 0.450 237 L N 2.948 124.105 121.223 -0.111 0.000 2.559 237 L HA 0.096 4.436 4.340 0.001 0.000 0.274 237 L C -0.742 176.247 176.870 0.199 0.000 1.205 237 L CA 0.707 55.535 54.840 -0.020 0.000 0.907 237 L CB 0.079 42.190 42.059 0.086 0.000 1.153 237 L HN 0.156 nan 8.230 nan 0.000 0.490 238 D N 4.146 124.655 120.400 0.182 0.000 2.937 238 D HA 0.408 5.048 4.640 0.001 0.000 0.215 238 D C -0.971 175.438 176.300 0.183 0.000 1.274 238 D CA -0.303 53.888 54.000 0.318 0.000 0.869 238 D CB 0.391 41.485 40.800 0.491 0.000 1.675 238 D HN 0.387 nan 8.370 nan 0.000 0.538 239 I N 1.151 121.781 120.570 0.099 0.000 2.389 239 I HA 0.239 4.410 4.170 0.001 0.000 0.288 239 I C 0.188 176.376 176.117 0.118 0.000 0.999 239 I CA -0.963 60.365 61.300 0.047 0.000 1.129 239 I CB 1.954 39.812 38.000 -0.237 0.000 1.288 239 I HN 0.397 nan 8.210 nan 0.000 0.444 240 Q N 5.312 125.182 119.800 0.115 0.000 2.247 240 Q HA 0.109 4.450 4.340 0.001 0.000 0.288 240 Q C 1.157 177.205 176.000 0.081 0.000 1.079 240 Q CA 1.317 57.175 55.803 0.090 0.000 0.932 240 Q CB 0.387 29.167 28.738 0.070 0.000 1.133 240 Q HN 1.013 nan 8.270 nan 0.000 0.377 241 G N 3.155 112.005 108.800 0.084 0.000 2.205 241 G HA2 -0.353 3.607 3.960 0.001 0.000 0.261 241 G HA3 -0.353 3.607 3.960 0.001 0.000 0.261 241 G C 0.509 175.468 174.900 0.099 0.000 0.980 241 G CA 0.180 45.322 45.100 0.070 0.000 0.632 241 G HN 1.884 nan 8.290 nan 0.000 0.533 242 A N -0.856 122.061 122.820 0.161 0.000 2.415 242 A HA 0.106 4.427 4.320 0.001 0.000 0.292 242 A C 1.291 179.018 177.584 0.238 0.000 1.452 242 A CA 1.931 54.146 52.037 0.298 0.000 0.750 242 A CB -1.799 17.410 19.000 0.348 0.000 1.099 242 A HN 2.468 nan 8.150 nan 0.000 0.391 243 S N 0.200 115.975 115.700 0.126 0.000 2.546 243 S HA 0.328 4.798 4.470 0.001 0.000 0.290 243 S C 1.534 176.213 174.600 0.131 0.000 1.290 243 S CA 0.361 58.605 58.200 0.073 0.000 1.069 243 S CB 0.671 63.879 63.200 0.012 0.000 0.846 243 S HN 1.033 nan 8.310 nan 0.000 0.495 244 S N 4.112 119.867 115.700 0.092 0.000 2.368 244 S HA -0.093 4.378 4.470 0.001 0.000 0.225 244 S C 2.207 176.867 174.600 0.099 0.000 1.030 244 S CA 1.587 59.858 58.200 0.119 0.000 0.999 244 S CB -0.520 62.748 63.200 0.113 0.000 0.844 244 S HN 0.799 nan 8.310 nan 0.000 0.459 245 S N 1.260 116.990 115.700 0.049 0.000 2.356 245 S HA -0.108 4.362 4.470 0.001 0.000 0.223 245 S C 2.177 176.742 174.600 -0.058 0.000 1.032 245 S CA 1.661 59.871 58.200 0.015 0.000 1.005 245 S CB -0.728 62.479 63.200 0.011 0.000 0.867 245 S HN 0.605 nan 8.310 nan 0.000 0.449 246 T N 0.793 115.279 114.554 -0.113 0.000 2.746 246 T HA -0.084 4.266 4.350 0.001 0.000 0.267 246 T C 1.547 176.048 174.700 -0.332 0.000 1.039 246 T CA 1.249 63.148 62.100 -0.335 0.000 1.142 246 T CB -0.457 68.218 68.868 -0.322 0.000 0.866 246 T HN 0.334 nan 8.240 nan 0.000 0.444 247 Y N 1.563 121.791 120.300 -0.121 0.000 2.181 247 Y HA -0.014 4.537 4.550 0.001 0.000 0.288 247 Y C 2.703 178.572 175.900 -0.051 0.000 1.146 247 Y CA 0.654 58.728 58.100 -0.044 0.000 1.164 247 Y CB -0.802 37.668 38.460 0.017 0.000 0.982 247 Y HN 0.206 nan 8.280 nan 0.000 0.515 248 A N -0.453 122.429 122.820 0.103 0.000 1.930 248 A HA -0.089 4.232 4.320 0.001 0.000 0.217 248 A C 2.424 180.003 177.584 -0.008 0.000 1.175 248 A CA 1.654 53.719 52.037 0.047 0.000 0.627 248 A CB -1.189 17.832 19.000 0.035 0.000 0.815 248 A HN 0.413 nan 8.150 nan 0.000 0.443 249 A N -0.433 122.327 122.820 -0.099 0.000 1.855 249 A HA -0.006 4.314 4.320 0.001 0.000 0.215 249 A C 2.208 179.719 177.584 -0.122 0.000 1.191 249 A CA 1.781 53.734 52.037 -0.140 0.000 0.613 249 A CB -1.032 17.789 19.000 -0.299 0.000 0.829 249 A HN 0.406 nan 8.150 nan 0.000 0.442 250 V N -0.036 119.739 119.914 -0.232 0.000 2.332 250 V HA -0.246 3.875 4.120 0.001 0.000 0.248 250 V C 2.720 178.873 176.094 0.098 0.000 1.055 250 V CA 2.487 64.790 62.300 0.005 0.000 1.038 250 V CB -1.363 30.475 31.823 0.024 0.000 0.651 250 V HN 0.613 nan 8.190 nan 0.000 0.450 251 T N 0.184 114.797 114.554 0.098 0.000 2.746 251 T HA -0.156 4.195 4.350 0.001 0.000 0.267 251 T C 1.814 176.544 174.700 0.051 0.000 1.039 251 T CA 1.534 63.705 62.100 0.118 0.000 1.142 251 T CB -0.350 68.603 68.868 0.142 0.000 0.866 251 T HN 0.446 nan 8.240 nan 0.000 0.444 252 N N 1.164 119.880 118.700 0.027 0.000 2.331 252 N HA -0.064 4.677 4.740 0.001 0.000 0.180 252 N C 1.414 176.914 175.510 -0.017 0.000 1.019 252 N CA 0.783 53.836 53.050 0.004 0.000 0.881 252 N CB -0.261 38.229 38.487 0.004 0.000 0.972 252 N HN 0.356 nan 8.380 nan 0.000 0.435 253 D N 0.351 120.744 120.400 -0.011 0.000 2.144 253 D HA -0.102 4.538 4.640 0.001 0.000 0.199 253 D C 1.998 178.215 176.300 -0.139 0.000 0.984 253 D CA 0.526 54.480 54.000 -0.078 0.000 0.834 253 D CB -0.426 40.331 40.800 -0.072 0.000 0.955 253 D HN 0.194 nan 8.370 nan 0.000 0.465 254 c N 0.297 118.840 118.600 -0.095 0.000 2.466 254 c HA 0.017 4.587 4.570 0.001 0.000 0.278 254 c C 2.732 176.772 174.090 -0.084 0.000 1.288 254 c CA 0.171 56.434 56.329 -0.110 0.000 1.722 254 c CB -1.193 41.273 42.510 -0.073 0.000 2.017 254 c HN 0.275 nan 8.230 nan 0.000 0.488 255 L N 1.109 122.301 121.223 -0.050 0.000 2.265 255 L HA -0.048 4.292 4.340 0.001 0.000 0.215 255 L C 2.773 179.614 176.870 -0.048 0.000 1.117 255 L CA 1.393 56.209 54.840 -0.040 0.000 0.782 255 L CB -0.567 41.480 42.059 -0.020 0.000 0.914 255 L HN 0.445 nan 8.230 nan 0.000 0.441 256 A N -0.799 121.984 122.820 -0.062 0.000 2.169 256 A HA 0.151 4.471 4.320 0.001 0.000 0.212 256 A C 0.883 178.419 177.584 -0.081 0.000 1.153 256 A CA 0.227 52.225 52.037 -0.066 0.000 0.756 256 A CB 0.035 18.993 19.000 -0.071 0.000 0.813 256 A HN 0.127 nan 8.150 nan 0.000 0.471 257 V N 0.487 120.344 119.914 -0.095 0.000 2.313 257 V HA 0.193 4.314 4.120 0.001 0.000 0.278 257 V C 1.429 177.483 176.094 -0.067 0.000 1.017 257 V CA 0.207 62.449 62.300 -0.097 0.000 0.823 257 V CB 0.935 32.673 31.823 -0.141 0.000 1.010 257 V HN 0.429 nan 8.190 nan 0.000 0.443 258 S N 3.881 119.552 115.700 -0.047 0.000 2.420 258 S HA -0.175 4.295 4.470 0.001 0.000 0.237 258 S C 1.844 176.432 174.600 -0.019 0.000 1.023 258 S CA 1.730 59.912 58.200 -0.029 0.000 0.991 258 S CB -0.111 63.077 63.200 -0.020 0.000 0.792 258 S HN 0.698 nan 8.310 nan 0.000 0.488 259 R N 0.007 120.496 120.500 -0.017 0.000 2.317 259 R HA 0.256 4.596 4.340 0.001 0.000 0.208 259 R C 0.320 176.619 176.300 -0.001 0.000 0.914 259 R CA 0.046 56.150 56.100 0.006 0.000 1.060 259 R CB -0.624 29.693 30.300 0.028 0.000 1.015 259 R HN 0.404 nan 8.270 nan 0.000 0.498 260 c N 1.503 120.079 118.600 -0.041 0.000 2.520 260 c HA 0.198 4.769 4.570 0.001 0.000 0.369 260 c C 1.792 175.831 174.090 -0.085 0.000 1.244 260 c CA -0.733 55.556 56.329 -0.067 0.000 1.677 260 c CB -1.371 41.071 42.510 -0.115 0.000 2.324 260 c HN 0.591 nan 8.230 nan 0.000 0.557 261 L N 5.305 126.492 121.223 -0.060 0.000 2.083 261 L HA 0.178 4.519 4.340 0.001 0.000 0.209 261 L C 1.580 178.183 176.870 -0.446 0.000 1.083 261 L CA 1.389 56.182 54.840 -0.079 0.000 0.752 261 L CB -0.723 41.411 42.059 0.126 0.000 0.899 261 L HN 0.911 nan 8.230 nan 0.000 0.433 262 G N -1.048 107.345 108.800 -0.678 0.000 2.320 262 G HA2 0.438 4.399 3.960 0.001 0.000 0.296 262 G HA3 0.438 4.399 3.960 0.001 0.000 0.296 262 G C -1.814 172.668 174.900 -0.697 0.000 1.306 262 G CA -0.747 43.641 45.100 -1.186 0.000 0.836 262 G HN -0.098 nan 8.290 nan 0.000 0.517 263 I N 0.454 120.670 120.570 -0.589 0.000 2.498 263 I HA 0.527 4.698 4.170 0.001 0.000 0.290 263 I C -0.438 175.409 176.117 -0.451 0.000 1.032 263 I CA -0.637 60.411 61.300 -0.419 0.000 1.073 263 I CB 2.637 40.343 38.000 -0.489 0.000 1.251 263 I HN 0.356 nan 8.210 nan 0.000 0.426 264 T N 5.393 119.835 114.554 -0.187 0.000 2.812 264 T HA 0.462 4.812 4.350 0.001 0.000 0.282 264 T C -0.380 174.300 174.700 -0.034 0.000 0.990 264 T CA -0.514 61.529 62.100 -0.094 0.000 0.960 264 T CB 1.670 70.568 68.868 0.050 0.000 0.948 264 T HN 0.375 nan 8.240 nan 0.000 0.438 265 V N 1.180 121.111 119.914 0.029 0.000 2.539 265 V HA 0.509 4.629 4.120 0.001 0.000 0.292 265 V C 0.188 176.404 176.094 0.203 0.000 1.045 265 V CA -1.150 61.277 62.300 0.213 0.000 0.945 265 V CB 1.447 33.507 31.823 0.395 0.000 0.993 265 V HN 1.010 nan 8.190 nan 0.000 0.464 266 W N 5.026 126.344 121.300 0.030 0.000 1.438 266 W HA 0.548 5.208 4.660 0.001 0.000 0.455 266 W C 0.544 177.094 176.519 0.053 0.000 0.656 266 W CA 0.700 58.037 57.345 -0.014 0.000 2.049 266 W CB -0.003 29.454 29.460 -0.004 0.000 1.683 266 W HN 1.227 nan 8.180 nan 0.000 0.228 267 G N 0.030 108.726 108.800 -0.174 0.000 2.326 267 G HA2 -0.065 3.895 3.960 0.001 0.000 0.413 267 G HA3 -0.065 3.895 3.960 0.001 0.000 0.413 267 G C -0.584 174.297 174.900 -0.032 0.000 1.444 267 G CA -0.662 44.362 45.100 -0.127 0.000 1.002 267 G HN 0.029 nan 8.290 nan 0.000 0.649 268 V N 0.425 120.338 119.914 -0.002 0.000 2.398 268 V HA 0.294 4.415 4.120 0.001 0.000 0.236 268 V C 1.569 177.780 176.094 0.195 0.000 1.054 268 V CA 1.471 63.789 62.300 0.031 0.000 1.060 268 V CB -0.464 31.208 31.823 -0.253 0.000 0.707 268 V HN 0.684 nan 8.190 nan 0.000 0.480 269 R N 0.485 121.088 120.500 0.172 0.000 2.643 269 R HA 0.286 4.626 4.340 0.001 0.000 0.272 269 R C 0.663 177.083 176.300 0.199 0.000 0.995 269 R CA -0.647 55.583 56.100 0.217 0.000 1.032 269 R CB 0.803 31.203 30.300 0.166 0.000 1.126 269 R HN 0.174 nan 8.270 nan 0.000 0.505 270 D N 0.633 121.146 120.400 0.188 0.000 2.182 270 D HA -0.153 4.488 4.640 0.001 0.000 0.201 270 D C 1.629 178.007 176.300 0.130 0.000 0.986 270 D CA 2.016 56.111 54.000 0.159 0.000 0.847 270 D CB -0.085 40.790 40.800 0.126 0.000 0.942 270 D HN 0.678 nan 8.370 nan 0.000 0.467 271 T N -1.830 112.793 114.554 0.115 0.000 3.035 271 T HA -0.080 4.270 4.350 0.001 0.000 0.268 271 T C 1.148 175.902 174.700 0.091 0.000 1.109 271 T CA 0.725 62.878 62.100 0.089 0.000 1.119 271 T CB 0.070 68.981 68.868 0.072 0.000 0.900 271 T HN -0.001 nan 8.240 nan 0.000 0.503 272 D N 1.267 121.738 120.400 0.119 0.000 2.346 272 D HA 0.126 4.766 4.640 0.001 0.000 0.206 272 D C 1.004 177.381 176.300 0.128 0.000 1.001 272 D CA 0.145 54.209 54.000 0.106 0.000 0.871 272 D CB 0.007 40.901 40.800 0.157 0.000 0.943 272 D HN 0.426 nan 8.370 nan 0.000 0.518 273 S N 1.360 117.166 115.700 0.177 0.000 2.563 273 S HA -0.041 4.430 4.470 0.001 0.000 0.284 273 S C 1.326 176.120 174.600 0.323 0.000 1.331 273 S CA -0.632 57.738 58.200 0.284 0.000 1.047 273 S CB 0.504 63.867 63.200 0.272 0.000 0.859 273 S HN 0.360 nan 8.310 nan 0.000 0.514 274 W N 5.128 126.501 121.300 0.121 0.000 2.699 274 W HA 0.163 4.823 4.660 0.001 0.000 0.249 274 W C 0.375 176.938 176.519 0.074 0.000 1.280 274 W CA -0.005 57.404 57.345 0.108 0.000 1.345 274 W CB -0.777 28.790 29.460 0.178 0.000 1.128 274 W HN 0.633 nan 8.180 nan 0.000 0.642 275 R N 1.487 121.845 120.500 -0.237 0.000 2.782 275 R HA 0.086 4.426 4.340 0.001 0.000 0.293 275 R C 1.655 177.901 176.300 -0.091 0.000 1.333 275 R CA 0.519 56.401 56.100 -0.364 0.000 1.479 275 R CB 0.407 30.299 30.300 -0.681 0.000 1.306 275 R HN 0.050 nan 8.270 nan 0.000 0.654 276 S N -0.647 115.050 115.700 -0.004 0.000 2.387 276 S HA -0.180 4.290 4.470 0.001 0.000 0.230 276 S C 2.052 176.662 174.600 0.018 0.000 1.035 276 S CA 1.494 59.718 58.200 0.039 0.000 1.014 276 S CB -0.307 62.921 63.200 0.047 0.000 0.836 276 S HN 0.564 nan 8.310 nan 0.000 0.466 277 G N 1.593 110.383 108.800 -0.016 0.000 2.462 277 G HA2 -0.172 3.789 3.960 0.001 0.000 0.220 277 G HA3 -0.172 3.789 3.960 0.001 0.000 0.220 277 G C 0.963 175.860 174.900 -0.005 0.000 1.121 277 G CA 1.034 46.126 45.100 -0.013 0.000 0.758 277 G HN 0.555 nan 8.290 nan 0.000 0.559 278 D N 0.429 120.822 120.400 -0.012 0.000 2.339 278 D HA 0.044 4.684 4.640 0.001 0.000 0.217 278 D C 1.440 177.774 176.300 0.058 0.000 1.050 278 D CA 1.009 55.017 54.000 0.013 0.000 0.856 278 D CB -0.297 40.499 40.800 -0.006 0.000 0.922 278 D HN 0.376 nan 8.370 nan 0.000 0.518 279 T N -0.139 114.455 114.554 0.067 0.000 3.213 279 T HA -0.153 4.197 4.350 0.001 0.000 0.427 279 T C -1.861 172.924 174.700 0.142 0.000 0.772 279 T CA 0.118 62.276 62.100 0.096 0.000 2.150 279 T CB -1.062 67.847 68.868 0.069 0.000 1.655 279 T HN 0.159 nan 8.240 nan 0.000 0.584 280 P HA 0.387 nan 4.420 nan 0.000 0.266 280 P C 0.548 178.084 177.300 0.393 0.000 1.381 280 P CA -0.377 62.882 63.100 0.266 0.000 0.940 280 P CB 0.401 32.246 31.700 0.242 0.000 1.435 281 L N -0.914 120.504 121.223 0.326 0.000 2.491 281 L HA 0.408 4.749 4.340 0.001 0.000 0.264 281 L C 1.885 178.863 176.870 0.181 0.000 1.053 281 L CA -1.077 53.964 54.840 0.336 0.000 0.858 281 L CB 0.540 42.788 42.059 0.316 0.000 1.519 281 L HN -0.275 nan 8.230 nan 0.000 0.508 282 L N -0.655 120.652 121.223 0.141 0.000 2.554 282 L HA 0.223 4.563 4.340 0.001 0.000 0.225 282 L C -0.589 176.118 176.870 -0.271 0.000 1.104 282 L CA 0.299 55.080 54.840 -0.098 0.000 0.866 282 L CB 0.165 42.168 42.059 -0.093 0.000 1.047 282 L HN 0.223 nan 8.230 nan 0.000 0.468 283 F N -0.541 119.459 119.950 0.083 0.000 2.551 283 F HA 0.322 4.850 4.527 0.001 0.000 0.316 283 F C 0.375 176.195 175.800 0.033 0.000 1.089 283 F CA -0.962 57.057 58.000 0.031 0.000 0.915 283 F CB 1.114 40.130 39.000 0.027 0.000 1.186 283 F HN -0.169 nan 8.300 nan 0.000 0.456 284 N N 0.133 118.922 118.700 0.148 0.000 2.381 284 N HA 0.264 5.005 4.740 0.001 0.000 0.254 284 N C 1.225 176.805 175.510 0.117 0.000 1.264 284 N CA 0.168 53.274 53.050 0.093 0.000 0.942 284 N CB 0.665 39.170 38.487 0.029 0.000 1.190 284 N HN 0.859 nan 8.380 nan 0.000 0.495 285 G N 0.121 108.971 108.800 0.083 0.000 2.432 285 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 285 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 285 G C 0.838 175.775 174.900 0.062 0.000 1.135 285 G CA 0.951 46.097 45.100 0.076 0.000 0.767 285 G HN 0.821 nan 8.290 nan 0.000 0.550 286 D N -0.619 119.809 120.400 0.047 0.000 2.363 286 D HA 0.206 4.846 4.640 0.001 0.000 0.226 286 D C 1.736 178.060 176.300 0.040 0.000 1.020 286 D CA 0.740 54.760 54.000 0.032 0.000 0.892 286 D CB -0.542 40.266 40.800 0.013 0.000 0.900 286 D HN 0.502 nan 8.370 nan 0.000 0.531 287 G N 0.088 108.934 108.800 0.075 0.000 2.176 287 G HA2 -0.288 3.673 3.960 0.001 0.000 0.253 287 G HA3 -0.288 3.673 3.960 0.001 0.000 0.253 287 G C 0.389 175.391 174.900 0.171 0.000 0.979 287 G CA 0.370 45.530 45.100 0.101 0.000 0.641 287 G HN 0.820 nan 8.290 nan 0.000 0.530 288 S N 0.006 115.760 115.700 0.091 0.000 2.576 288 S HA 0.578 5.049 4.470 0.001 0.000 0.276 288 S C 0.277 174.849 174.600 -0.046 0.000 1.339 288 S CA -0.167 58.042 58.200 0.016 0.000 1.039 288 S CB 1.529 64.702 63.200 -0.046 0.000 0.902 288 S HN 0.472 nan 8.310 nan 0.000 0.516 289 K N 1.872 122.133 120.400 -0.232 0.000 2.350 289 K HA 0.208 4.529 4.320 0.001 0.000 0.279 289 K C 0.110 176.506 176.600 -0.340 0.000 1.027 289 K CA -0.158 55.773 56.287 -0.593 0.000 0.969 289 K CB 0.558 32.599 32.500 -0.766 0.000 0.954 289 K HN 0.550 nan 8.250 nan 0.000 0.474 290 K N 0.905 121.107 120.400 -0.329 0.000 2.090 290 K HA 0.201 4.521 4.320 0.001 0.000 0.250 290 K C 1.145 177.691 176.600 -0.089 0.000 1.004 290 K CA -0.338 55.849 56.287 -0.166 0.000 0.919 290 K CB 0.986 33.408 32.500 -0.130 0.000 1.045 290 K HN 0.635 nan 8.250 nan 0.000 0.471 291 A N 1.310 124.108 122.820 -0.036 0.000 1.948 291 A HA -0.245 4.076 4.320 0.001 0.000 0.220 291 A C 2.155 179.765 177.584 0.044 0.000 1.177 291 A CA 2.374 54.442 52.037 0.052 0.000 0.636 291 A CB -0.957 18.089 19.000 0.076 0.000 0.815 291 A HN 0.805 nan 8.150 nan 0.000 0.449 292 A N -1.661 121.150 122.820 -0.014 0.000 1.972 292 A HA -0.083 4.238 4.320 0.001 0.000 0.219 292 A C 2.063 179.530 177.584 -0.194 0.000 1.169 292 A CA 1.586 53.584 52.037 -0.065 0.000 0.635 292 A CB -0.769 18.174 19.000 -0.095 0.000 0.810 292 A HN 0.781 nan 8.150 nan 0.000 0.446 293 Y N 1.298 121.400 120.300 -0.330 0.000 2.114 293 Y HA -0.238 4.313 4.550 0.001 0.000 0.282 293 Y C 2.539 178.281 175.900 -0.263 0.000 1.165 293 Y CA 2.500 60.364 58.100 -0.395 0.000 1.148 293 Y CB -0.707 37.418 38.460 -0.558 0.000 0.972 293 Y HN 0.291 nan 8.280 nan 0.000 0.504 294 T N 0.626 115.180 114.554 0.001 0.000 2.867 294 T HA -0.096 4.255 4.350 0.001 0.000 0.268 294 T C 2.078 176.716 174.700 -0.103 0.000 1.057 294 T CA 1.113 63.201 62.100 -0.021 0.000 1.136 294 T CB -0.641 68.270 68.868 0.073 0.000 0.874 294 T HN 0.504 nan 8.240 nan 0.000 0.466 295 A N 0.945 123.727 122.820 -0.064 0.000 1.933 295 A HA -0.020 4.300 4.320 0.001 0.000 0.218 295 A C 2.520 180.053 177.584 -0.086 0.000 1.175 295 A CA 1.163 53.183 52.037 -0.029 0.000 0.628 295 A CB -0.817 18.212 19.000 0.048 0.000 0.814 295 A HN 0.370 nan 8.150 nan 0.000 0.444 296 V N -0.498 119.306 119.914 -0.184 0.000 2.379 296 V HA -0.179 3.942 4.120 0.001 0.000 0.245 296 V C 2.443 178.363 176.094 -0.289 0.000 1.044 296 V CA 1.725 63.901 62.300 -0.208 0.000 1.036 296 V CB -0.717 30.917 31.823 -0.316 0.000 0.664 296 V HN 0.559 nan 8.190 nan 0.000 0.453 297 L N 0.907 121.868 121.223 -0.436 0.000 2.046 297 L HA -0.140 4.201 4.340 0.001 0.000 0.208 297 L C 2.194 178.952 176.870 -0.187 0.000 1.077 297 L CA 1.968 56.583 54.840 -0.375 0.000 0.747 297 L CB -0.870 40.938 42.059 -0.419 0.000 0.896 297 L HN 0.305 nan 8.230 nan 0.000 0.432 298 N N 0.004 118.621 118.700 -0.138 0.000 2.188 298 N HA -0.110 4.631 4.740 0.001 0.000 0.184 298 N C 1.829 177.303 175.510 -0.061 0.000 1.018 298 N CA 1.478 54.481 53.050 -0.078 0.000 0.858 298 N CB -0.515 37.939 38.487 -0.056 0.000 0.989 298 N HN 0.512 nan 8.380 nan 0.000 0.426 299 A N 1.216 124.000 122.820 -0.061 0.000 1.877 299 A HA -0.040 4.281 4.320 0.001 0.000 0.216 299 A C 2.336 179.901 177.584 -0.031 0.000 1.186 299 A CA 0.918 52.935 52.037 -0.032 0.000 0.620 299 A CB -0.792 18.201 19.000 -0.012 0.000 0.822 299 A HN 0.216 nan 8.150 nan 0.000 0.443 300 L N -0.153 121.040 121.223 -0.050 0.000 2.131 300 L HA -0.160 4.181 4.340 0.001 0.000 0.210 300 L C 1.542 178.390 176.870 -0.036 0.000 1.092 300 L CA 0.952 55.770 54.840 -0.036 0.000 0.759 300 L CB -0.519 41.501 42.059 -0.065 0.000 0.903 300 L HN 0.373 nan 8.230 nan 0.000 0.435 301 N N 0.174 118.844 118.700 -0.049 0.000 2.461 301 N HA 0.011 4.751 4.740 0.001 0.000 0.188 301 N C 1.209 176.703 175.510 -0.027 0.000 1.134 301 N CA 1.009 54.036 53.050 -0.038 0.000 0.878 301 N CB 0.709 39.170 38.487 -0.043 0.000 0.972 301 N HN 0.438 nan 8.380 nan 0.000 0.456 302 G N -0.333 108.452 108.800 -0.024 0.000 2.138 302 G HA2 -0.094 3.866 3.960 0.001 0.000 0.193 302 G HA3 -0.094 3.866 3.960 0.001 0.000 0.193 302 G C 0.518 175.407 174.900 -0.018 0.000 0.998 302 G CA 0.279 45.368 45.100 -0.019 0.000 0.668 302 G HN 0.666 nan 8.290 nan 0.000 0.516 303 G N -0.757 108.030 108.800 -0.021 0.000 2.801 303 G HA2 0.149 4.110 3.960 0.001 0.000 0.244 303 G HA3 0.149 4.110 3.960 0.001 0.000 0.244 303 G C 0.258 175.148 174.900 -0.018 0.000 1.385 303 G CA 0.281 45.370 45.100 -0.019 0.000 0.894 303 G HN 1.650 nan 8.290 nan 0.000 0.562 304 S N -0.013 115.677 115.700 -0.016 0.000 2.545 304 S HA 0.445 4.916 4.470 0.001 0.000 0.275 304 S C 1.672 176.264 174.600 -0.012 0.000 1.299 304 S CA 0.165 58.356 58.200 -0.016 0.000 1.048 304 S CB 1.596 64.786 63.200 -0.016 0.000 0.938 304 S HN 0.937 nan 8.310 nan 0.000 0.496 305 S N 1.937 117.630 115.700 -0.012 0.000 2.392 305 S HA -0.121 4.350 4.470 0.001 0.000 0.232 305 S C 1.246 175.841 174.600 -0.008 0.000 1.041 305 S CA 1.618 59.812 58.200 -0.010 0.000 1.026 305 S CB -0.360 62.834 63.200 -0.010 0.000 0.845 305 S HN 0.945 nan 8.310 nan 0.000 0.465 306 T N 0.151 114.701 114.554 -0.007 0.000 2.823 306 T HA 0.514 4.864 4.350 0.001 0.000 0.279 306 T C -3.275 171.423 174.700 -0.003 0.000 0.998 306 T CA -2.517 59.580 62.100 -0.004 0.000 0.994 306 T CB 1.476 70.342 68.868 -0.003 0.000 0.960 306 T HN -0.212 nan 8.240 nan 0.000 0.448 307 P HA 0.228 nan 4.420 nan 0.000 0.259 307 P C -2.160 175.144 177.300 0.006 0.000 1.211 307 P CA -0.603 62.499 63.100 0.004 0.000 0.810 307 P CB -0.678 31.025 31.700 0.005 0.000 0.815 308 P HA 0.031 nan 4.420 nan 0.000 0.266 308 P C -2.110 175.201 177.300 0.018 0.000 1.186 308 P CA -0.501 62.603 63.100 0.006 0.000 0.767 308 P CB -0.715 30.987 31.700 0.003 0.000 0.820 309 P HA 0.037 nan 4.420 nan 0.000 0.269 309 P C -0.244 177.082 177.300 0.043 0.000 1.217 309 P CA 0.119 63.237 63.100 0.030 0.000 0.783 309 P CB 0.409 32.129 31.700 0.033 0.000 0.898 310 S N 1.252 116.976 115.700 0.040 0.000 2.217 310 S HA 0.529 4.999 4.470 0.001 0.000 0.168 310 S C -0.078 174.548 174.600 0.044 0.000 1.526 310 S CA 0.164 58.390 58.200 0.044 0.000 1.150 310 S CB -1.567 61.652 63.200 0.032 0.000 1.158 310 S HN 0.901 nan 8.310 nan 0.000 0.473 311 G N 1.545 110.382 108.800 0.061 0.000 2.778 311 G HA2 0.279 4.240 3.960 0.001 0.000 0.686 311 G HA3 0.279 4.240 3.960 0.001 0.000 0.686 311 G C 0.577 175.498 174.900 0.035 0.000 1.309 311 G CA -0.245 44.887 45.100 0.054 0.000 0.904 311 G HN 1.851 nan 8.290 nan 0.000 0.593 312 G N 0.013 108.830 108.800 0.028 0.000 2.374 312 G HA2 0.456 4.417 3.960 0.001 0.000 0.289 312 G HA3 0.456 4.417 3.960 0.001 0.000 0.289 312 G C 1.192 176.096 174.900 0.005 0.000 1.004 312 G CA 1.123 46.218 45.100 -0.008 0.000 1.292 312 G HN 2.517 nan 8.290 nan 0.000 0.502 313 G N -0.865 107.961 108.800 0.044 0.000 2.818 313 G HA2 0.711 4.671 3.960 0.001 0.000 0.286 313 G HA3 0.711 4.671 3.960 0.001 0.000 0.286 313 G C -0.385 174.574 174.900 0.099 0.000 1.364 313 G CA -0.731 44.401 45.100 0.053 0.000 0.938 313 G HN 0.501 nan 8.290 nan 0.000 0.490 314 Q N -0.840 119.011 119.800 0.086 0.000 2.227 314 Q HA 0.521 4.861 4.340 0.001 0.000 0.245 314 Q C -0.689 175.372 176.000 0.102 0.000 0.926 314 Q CA -0.208 55.668 55.803 0.122 0.000 0.895 314 Q CB 2.281 31.068 28.738 0.082 0.000 1.230 314 Q HN 0.344 nan 8.270 nan 0.000 0.450 315 I N 2.372 122.998 120.570 0.093 0.000 2.437 315 I HA 0.273 4.443 4.170 0.001 0.000 0.279 315 I C -0.565 175.633 176.117 0.135 0.000 1.028 315 I CA -0.425 60.879 61.300 0.006 0.000 1.142 315 I CB 1.263 39.085 38.000 -0.297 0.000 1.266 315 I HN 0.338 nan 8.210 nan 0.000 0.461 316 K N 4.845 125.360 120.400 0.192 0.000 2.185 316 K HA 0.593 4.914 4.320 0.001 0.000 0.269 316 K C 0.235 176.976 176.600 0.235 0.000 0.987 316 K CA -0.466 55.946 56.287 0.209 0.000 0.865 316 K CB 1.573 34.136 32.500 0.105 0.000 1.090 316 K HN 0.655 nan 8.250 nan 0.000 0.450 317 G N 2.115 110.999 108.800 0.142 0.000 2.406 317 G HA2 0.108 4.068 3.960 0.001 0.000 0.251 317 G HA3 0.108 4.068 3.960 0.001 0.000 0.251 317 G C 0.851 175.601 174.900 -0.250 0.000 1.271 317 G CA -0.696 44.207 45.100 -0.329 0.000 0.859 317 G HN 0.508 nan 8.290 nan 0.000 0.540 318 V N 3.379 123.093 119.914 -0.334 0.000 2.307 318 V HA -0.088 4.032 4.120 0.001 0.000 0.245 318 V C 2.970 178.952 176.094 -0.186 0.000 1.045 318 V CA 2.421 64.597 62.300 -0.207 0.000 1.024 318 V CB -0.864 30.839 31.823 -0.199 0.000 0.651 318 V HN 0.808 nan 8.190 nan 0.000 0.449 319 G N -0.131 108.525 108.800 -0.239 0.000 2.422 319 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 319 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 319 G C 1.775 176.590 174.900 -0.142 0.000 1.140 319 G CA 1.356 46.348 45.100 -0.180 0.000 0.775 319 G HN 0.646 nan 8.290 nan 0.000 0.545 320 S N -1.368 114.240 115.700 -0.152 0.000 2.497 320 S HA 0.368 4.839 4.470 0.001 0.000 0.221 320 S C 1.932 176.490 174.600 -0.071 0.000 1.037 320 S CA 1.103 59.242 58.200 -0.101 0.000 0.920 320 S CB 0.110 63.256 63.200 -0.089 0.000 0.800 320 S HN 1.480 nan 8.310 nan 0.000 0.505 321 G N 1.534 110.292 108.800 -0.069 0.000 2.148 321 G HA2 -0.253 3.707 3.960 0.001 0.000 0.254 321 G HA3 -0.253 3.707 3.960 0.001 0.000 0.254 321 G C 0.068 174.966 174.900 -0.004 0.000 0.981 321 G CA 0.234 45.313 45.100 -0.034 0.000 0.670 321 G HN 0.604 nan 8.290 nan 0.000 0.528 322 R N -1.137 119.367 120.500 0.007 0.000 2.732 322 R HA 0.632 4.972 4.340 0.001 0.000 0.278 322 R C 0.002 176.378 176.300 0.127 0.000 0.976 322 R CA -0.472 55.660 56.100 0.053 0.000 0.963 322 R CB 1.382 31.698 30.300 0.027 0.000 1.150 322 R HN 0.202 nan 8.270 nan 0.000 0.478 323 c N 1.775 120.473 118.600 0.164 0.000 2.398 323 c HA 0.274 4.844 4.570 0.001 0.000 0.364 323 c C 0.059 174.275 174.090 0.210 0.000 1.219 323 c CA -0.682 55.763 56.329 0.193 0.000 2.312 323 c CB 0.439 43.051 42.510 0.171 0.000 2.428 323 c HN 0.570 nan 8.230 nan 0.000 0.564 324 L N 4.034 125.342 121.223 0.141 0.000 2.500 324 L HA 0.251 4.592 4.340 0.001 0.000 0.272 324 L C 0.080 177.117 176.870 0.279 0.000 1.149 324 L CA 1.086 55.943 54.840 0.029 0.000 0.897 324 L CB -0.416 41.367 42.059 -0.461 0.000 1.178 324 L HN 0.668 nan 8.230 nan 0.000 0.473 325 D N 3.840 124.391 120.400 0.252 0.000 2.619 325 D HA 0.272 4.912 4.640 0.001 0.000 0.241 325 D C -1.324 175.110 176.300 0.223 0.000 1.087 325 D CA -0.454 53.696 54.000 0.250 0.000 0.851 325 D CB 2.401 43.341 40.800 0.234 0.000 1.474 325 D HN 0.220 nan 8.370 nan 0.000 0.478 326 V N 4.604 124.623 119.914 0.174 0.000 2.334 326 V HA 0.260 4.380 4.120 0.001 0.000 0.267 326 V C -2.078 174.082 176.094 0.111 0.000 1.040 326 V CA -1.618 60.781 62.300 0.166 0.000 0.866 326 V CB 0.922 32.840 31.823 0.157 0.000 1.019 326 V HN 0.490 nan 8.190 nan 0.000 0.468 327 P HA -0.081 nan 4.420 nan 0.000 0.257 327 P C 0.547 177.863 177.300 0.026 0.000 1.153 327 P CA 0.753 63.876 63.100 0.038 0.000 0.762 327 P CB 0.035 31.769 31.700 0.056 0.000 0.743 328 N N 2.598 121.285 118.700 -0.022 0.000 2.681 328 N HA -0.298 4.442 4.740 0.001 0.000 0.250 328 N C 0.404 175.925 175.510 0.018 0.000 1.133 328 N CA 1.376 54.416 53.050 -0.016 0.000 0.732 328 N CB -1.773 36.707 38.487 -0.011 0.000 1.107 328 N HN 0.734 nan 8.380 nan 0.000 0.559 329 A N -1.313 121.545 122.820 0.063 0.000 2.783 329 A HA -0.257 4.063 4.320 0.001 0.000 0.292 329 A C 0.805 178.431 177.584 0.070 0.000 1.495 329 A CA 1.452 53.575 52.037 0.143 0.000 0.787 329 A CB -1.880 17.183 19.000 0.104 0.000 1.017 329 A HN 0.931 nan 8.150 nan 0.000 0.516 330 S N -0.711 115.029 115.700 0.066 0.000 2.584 330 S HA 0.488 4.959 4.470 0.001 0.000 0.270 330 S C 1.409 175.972 174.600 -0.061 0.000 1.346 330 S CA 0.901 59.098 58.200 -0.006 0.000 1.018 330 S CB 0.585 63.806 63.200 0.035 0.000 0.899 330 S HN 1.594 nan 8.310 nan 0.000 0.542 331 T N -0.743 113.714 114.554 -0.161 0.000 3.091 331 T HA 0.213 4.564 4.350 0.001 0.000 0.277 331 T C 0.507 175.167 174.700 -0.067 0.000 0.996 331 T CA 0.165 62.128 62.100 -0.228 0.000 0.897 331 T CB -0.543 68.070 68.868 -0.424 0.000 1.109 331 T HN 0.742 nan 8.240 nan 0.000 0.534 332 T N 1.021 115.563 114.554 -0.019 0.000 2.851 332 T HA 0.336 4.686 4.350 0.001 0.000 0.298 332 T C -0.429 174.306 174.700 0.058 0.000 0.977 332 T CA -0.560 61.544 62.100 0.007 0.000 1.126 332 T CB 0.274 69.149 68.868 0.012 0.000 0.916 332 T HN 0.022 nan 8.240 nan 0.000 0.529 333 D N 2.323 122.751 120.400 0.046 0.000 2.488 333 D HA 0.404 5.045 4.640 0.001 0.000 0.238 333 D C 1.559 177.965 176.300 0.176 0.000 1.138 333 D CA 1.604 55.672 54.000 0.114 0.000 0.873 333 D CB 0.278 41.084 40.800 0.011 0.000 1.183 333 D HN 1.042 nan 8.370 nan 0.000 0.458 334 G N 1.541 110.487 108.800 0.244 0.000 2.213 334 G HA2 -0.268 3.693 3.960 0.001 0.000 0.236 334 G HA3 -0.268 3.693 3.960 0.001 0.000 0.236 334 G C 0.516 175.504 174.900 0.147 0.000 0.991 334 G CA 0.179 45.392 45.100 0.189 0.000 0.629 334 G HN 0.589 nan 8.290 nan 0.000 0.517 335 T N 1.922 116.563 114.554 0.145 0.000 2.784 335 T HA 0.405 4.756 4.350 0.001 0.000 0.291 335 T C 0.431 175.215 174.700 0.140 0.000 0.942 335 T CA 0.523 62.700 62.100 0.127 0.000 1.161 335 T CB 1.402 70.346 68.868 0.126 0.000 0.885 335 T HN 0.576 nan 8.240 nan 0.000 0.534 336 Q N 3.259 123.128 119.800 0.117 0.000 2.327 336 Q HA 0.381 4.722 4.340 0.001 0.000 0.254 336 Q C 0.157 176.224 176.000 0.111 0.000 0.952 336 Q CA -0.805 55.064 55.803 0.110 0.000 0.884 336 Q CB 0.701 29.494 28.738 0.091 0.000 1.224 336 Q HN 0.644 nan 8.270 nan 0.000 0.422 337 V N 1.339 121.313 119.914 0.101 0.000 3.083 337 V HA 0.444 4.564 4.120 0.001 0.000 0.306 337 V C -0.387 175.761 176.094 0.089 0.000 1.077 337 V CA -0.356 62.006 62.300 0.104 0.000 1.073 337 V CB 1.199 33.059 31.823 0.062 0.000 1.081 337 V HN 1.021 nan 8.190 nan 0.000 0.474 338 Q N 1.905 121.775 119.800 0.116 0.000 2.857 338 Q HA 0.697 5.037 4.340 0.001 0.000 0.319 338 Q C -1.563 174.539 176.000 0.170 0.000 0.963 338 Q CA -1.145 54.740 55.803 0.137 0.000 0.770 338 Q CB 2.249 31.082 28.738 0.159 0.000 1.492 338 Q HN 0.698 nan 8.270 nan 0.000 0.493 339 L N 0.887 122.223 121.223 0.189 0.000 2.334 339 L HA 0.671 5.011 4.340 0.001 0.000 0.275 339 L C -1.292 175.738 176.870 0.268 0.000 1.036 339 L CA -0.875 54.087 54.840 0.203 0.000 0.807 339 L CB 1.271 43.414 42.059 0.141 0.000 1.231 339 L HN 0.677 nan 8.230 nan 0.000 0.438 340 Y N 0.405 120.775 120.300 0.116 0.000 2.565 340 Y HA 0.157 4.708 4.550 0.001 0.000 0.330 340 Y C -0.828 175.151 175.900 0.132 0.000 1.150 340 Y CA -1.176 56.994 58.100 0.118 0.000 1.055 340 Y CB 1.552 40.100 38.460 0.146 0.000 1.337 340 Y HN 0.555 nan 8.280 nan 0.000 0.457 341 D N 2.857 123.117 120.400 -0.234 0.000 2.658 341 D HA -0.032 4.608 4.640 0.001 0.000 0.230 341 D C -0.107 176.371 176.300 0.297 0.000 1.118 341 D CA 0.830 54.824 54.000 -0.011 0.000 0.848 341 D CB 0.312 41.036 40.800 -0.126 0.000 1.160 341 D HN 0.468 nan 8.370 nan 0.000 0.497 342 c N 4.761 123.487 118.600 0.211 0.000 2.642 342 c HA 0.243 4.814 4.570 0.001 0.000 0.420 342 c C 0.659 174.928 174.090 0.299 0.000 1.349 342 c CA -0.140 56.325 56.329 0.226 0.000 1.821 342 c CB -0.883 41.703 42.510 0.127 0.000 2.637 342 c HN 0.722 nan 8.230 nan 0.000 0.605 343 H N -0.519 118.610 119.070 0.099 0.000 3.037 343 H HA 0.354 4.911 4.556 0.001 0.000 0.336 343 H C -0.915 174.446 175.328 0.054 0.000 1.323 343 H CA -0.519 55.574 56.048 0.075 0.000 1.159 343 H CB 0.742 30.557 29.762 0.088 0.000 1.882 343 H HN 0.543 nan 8.280 nan 0.000 0.535 344 S N 1.355 117.087 115.700 0.053 0.000 2.443 344 S HA 0.629 5.100 4.470 0.001 0.000 0.284 344 S C 0.095 174.659 174.600 -0.061 0.000 1.206 344 S CA 0.105 58.290 58.200 -0.025 0.000 1.074 344 S CB -0.476 62.740 63.200 0.026 0.000 0.963 344 S HN 1.082 nan 8.310 nan 0.000 0.501 345 A N 3.137 125.855 122.820 -0.170 0.000 2.594 345 A HA 0.612 4.932 4.320 0.001 0.000 0.296 345 A C 0.786 178.269 177.584 -0.167 0.000 1.056 345 A CA -0.351 51.603 52.037 -0.139 0.000 0.693 345 A CB 0.094 18.983 19.000 -0.184 0.000 1.278 345 A HN 1.075 nan 8.150 nan 0.000 0.408 346 T N -0.438 114.051 114.554 -0.107 0.000 2.833 346 T HA -0.158 4.192 4.350 0.001 0.000 0.269 346 T C 1.107 175.586 174.700 -0.369 0.000 1.054 346 T CA 1.701 63.699 62.100 -0.169 0.000 1.135 346 T CB -0.580 68.279 68.868 -0.015 0.000 0.869 346 T HN 0.891 nan 8.240 nan 0.000 0.466 347 N N 1.140 119.697 118.700 -0.238 0.000 2.567 347 N HA -0.051 4.689 4.740 0.001 0.000 0.195 347 N C 1.145 176.452 175.510 -0.340 0.000 1.242 347 N CA 0.299 53.148 53.050 -0.335 0.000 0.884 347 N CB -0.174 38.305 38.487 -0.014 0.000 1.007 347 N HN 0.590 nan 8.380 nan 0.000 0.450 348 Q N -0.777 118.812 119.800 -0.353 0.000 2.113 348 Q HA 0.168 4.508 4.340 0.001 0.000 0.225 348 Q C -0.555 175.308 176.000 -0.228 0.000 0.786 348 Q CA -0.191 55.508 55.803 -0.174 0.000 0.989 348 Q CB 0.830 29.482 28.738 -0.142 0.000 1.174 348 Q HN 0.303 nan 8.270 nan 0.000 0.470 349 Q N 0.247 119.772 119.800 -0.459 0.000 2.421 349 Q HA 0.155 4.495 4.340 0.001 0.000 0.242 349 Q C -1.236 174.449 176.000 -0.526 0.000 1.024 349 Q CA 0.240 55.842 55.803 -0.336 0.000 0.891 349 Q CB 0.338 28.924 28.738 -0.253 0.000 1.222 349 Q HN 0.113 nan 8.270 nan 0.000 0.483 350 W N 1.412 122.638 121.300 -0.122 0.000 2.478 350 W HA 0.340 5.001 4.660 0.001 0.000 0.318 350 W C 0.115 176.602 176.519 -0.052 0.000 1.062 350 W CA -0.484 56.794 57.345 -0.112 0.000 1.210 350 W CB 1.557 30.933 29.460 -0.140 0.000 1.325 350 W HN 0.173 nan 8.180 nan 0.000 0.496 351 T N 3.265 117.918 114.554 0.165 0.000 2.770 351 T HA 0.162 4.513 4.350 0.001 0.000 0.283 351 T C -1.363 173.458 174.700 0.203 0.000 0.988 351 T CA -0.446 61.736 62.100 0.136 0.000 0.957 351 T CB 0.337 69.237 68.868 0.054 0.000 0.930 351 T HN 0.160 nan 8.240 nan 0.000 0.443 352 Y N 4.219 124.558 120.300 0.066 0.000 2.365 352 Y HA 0.420 4.971 4.550 0.001 0.000 0.340 352 Y C 0.909 176.841 175.900 0.054 0.000 1.016 352 Y CA -0.823 57.313 58.100 0.061 0.000 1.196 352 Y CB 0.359 38.842 38.460 0.039 0.000 1.167 352 Y HN 0.723 nan 8.280 nan 0.000 0.509 353 T N 0.917 115.265 114.554 -0.343 0.000 2.912 353 T HA 0.212 4.562 4.350 0.001 0.000 0.280 353 T C 0.741 175.207 174.700 -0.390 0.000 0.989 353 T CA -0.695 61.250 62.100 -0.258 0.000 0.995 353 T CB 1.073 69.855 68.868 -0.144 0.000 1.077 353 T HN 0.568 nan 8.240 nan 0.000 0.531 354 D N 0.683 120.972 120.400 -0.185 0.000 2.178 354 D HA -0.039 4.602 4.640 0.001 0.000 0.201 354 D C 2.142 178.355 176.300 -0.145 0.000 0.980 354 D CA 1.425 55.347 54.000 -0.130 0.000 0.842 354 D CB -0.501 40.270 40.800 -0.048 0.000 0.948 354 D HN 0.753 nan 8.370 nan 0.000 0.472 355 A N -0.246 122.481 122.820 -0.155 0.000 2.168 355 A HA 0.303 4.624 4.320 0.001 0.000 0.215 355 A C 1.800 179.279 177.584 -0.176 0.000 1.152 355 A CA 1.389 53.350 52.037 -0.126 0.000 0.716 355 A CB -0.106 18.834 19.000 -0.100 0.000 0.794 355 A HN 0.284 nan 8.150 nan 0.000 0.465 356 G N -0.834 107.761 108.800 -0.343 0.000 2.144 356 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 356 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 356 G C -0.206 174.617 174.900 -0.129 0.000 0.988 356 G CA 0.178 45.071 45.100 -0.345 0.000 0.659 356 G HN 0.608 nan 8.290 nan 0.000 0.522 357 E N -0.668 119.444 120.200 -0.146 0.000 2.314 357 E HA 0.694 5.045 4.350 0.001 0.000 0.262 357 E C 0.094 176.809 176.600 0.192 0.000 1.093 357 E CA -0.587 55.874 56.400 0.101 0.000 0.908 357 E CB 1.339 31.068 29.700 0.048 0.000 1.091 357 E HN 0.194 nan 8.360 nan 0.000 0.425 358 L N 2.439 123.846 121.223 0.307 0.000 2.384 358 L HA 0.363 4.703 4.340 0.001 0.000 0.261 358 L C -0.246 176.860 176.870 0.392 0.000 1.024 358 L CA -0.348 54.673 54.840 0.302 0.000 0.899 358 L CB 0.628 42.709 42.059 0.036 0.000 1.243 358 L HN 0.291 nan 8.230 nan 0.000 0.449 359 R N 1.693 122.349 120.500 0.259 0.000 2.500 359 R HA 0.681 5.022 4.340 0.001 0.000 0.275 359 R C -0.846 175.402 176.300 -0.086 0.000 1.051 359 R CA -0.610 55.568 56.100 0.129 0.000 1.088 359 R CB 2.621 32.957 30.300 0.059 0.000 1.063 359 R HN 0.245 nan 8.270 nan 0.000 0.511 360 V N 3.323 123.064 119.914 -0.289 0.000 2.888 360 V HA 0.219 4.340 4.120 0.001 0.000 0.309 360 V C -1.084 174.753 176.094 -0.428 0.000 1.114 360 V CA -0.418 61.435 62.300 -0.745 0.000 0.940 360 V CB 1.254 32.182 31.823 -1.492 0.000 1.021 360 V HN 0.919 nan 8.190 nan 0.000 0.426 361 Y N 4.106 124.265 120.300 -0.236 0.000 4.916 361 Y HA -0.225 4.325 4.550 0.001 0.000 0.247 361 Y C 1.688 177.533 175.900 -0.093 0.000 0.962 361 Y CA 1.628 59.640 58.100 -0.146 0.000 1.933 361 Y CB -1.911 36.475 38.460 -0.124 0.000 1.451 361 Y HN 1.748 nan 8.280 nan 0.000 0.539 362 G N -0.718 108.094 108.800 0.019 0.000 2.420 362 G HA2 -0.350 3.610 3.960 0.001 0.000 0.221 362 G HA3 -0.350 3.610 3.960 0.001 0.000 0.221 362 G C 0.457 175.379 174.900 0.037 0.000 1.117 362 G CA 0.590 45.703 45.100 0.022 0.000 0.657 362 G HN 0.489 nan 8.290 nan 0.000 0.512 363 D N 0.194 120.633 120.400 0.064 0.000 2.620 363 D HA 0.415 5.056 4.640 0.001 0.000 0.260 363 D C 0.199 176.555 176.300 0.092 0.000 1.367 363 D CA -0.062 53.977 54.000 0.066 0.000 0.805 363 D CB 0.287 41.116 40.800 0.048 0.000 1.096 363 D HN 0.228 nan 8.370 nan 0.000 0.488 364 K N -0.187 120.282 120.400 0.116 0.000 2.221 364 K HA 0.574 4.895 4.320 0.001 0.000 0.258 364 K C -1.262 175.442 176.600 0.173 0.000 0.944 364 K CA -0.468 55.913 56.287 0.158 0.000 0.823 364 K CB 1.540 34.181 32.500 0.235 0.000 1.113 364 K HN -0.044 nan 8.250 nan 0.000 0.431 365 c N 3.335 122.082 118.600 0.246 0.000 2.417 365 c HA 0.429 4.999 4.570 0.001 0.000 0.324 365 c C -0.597 173.718 174.090 0.375 0.000 1.240 365 c CA -1.149 55.358 56.329 0.297 0.000 1.632 365 c CB 0.701 43.363 42.510 0.254 0.000 2.241 365 c HN 0.783 nan 8.230 nan 0.000 0.499 366 L N 4.346 125.812 121.223 0.404 0.000 2.584 366 L HA 0.191 4.532 4.340 0.001 0.000 0.272 366 L C 0.128 177.281 176.870 0.472 0.000 1.195 366 L CA 1.446 56.455 54.840 0.281 0.000 0.920 366 L CB -0.092 41.857 42.059 -0.182 0.000 1.173 366 L HN 0.677 nan 8.230 nan 0.000 0.489 367 D N 4.320 124.958 120.400 0.396 0.000 2.646 367 D HA 0.548 5.188 4.640 0.001 0.000 0.245 367 D C -1.423 175.066 176.300 0.316 0.000 1.099 367 D CA -0.500 53.721 54.000 0.368 0.000 0.849 367 D CB 2.138 43.127 40.800 0.316 0.000 1.448 367 D HN 0.663 nan 8.370 nan 0.000 0.489 368 A N 2.323 125.286 122.820 0.238 0.000 2.258 368 A HA 0.596 4.917 4.320 0.001 0.000 0.316 368 A C 0.750 178.372 177.584 0.062 0.000 1.279 368 A CA -0.086 52.051 52.037 0.166 0.000 0.876 368 A CB 1.227 20.287 19.000 0.100 0.000 1.170 368 A HN 0.594 nan 8.150 nan 0.000 0.520 369 A N 2.409 125.263 122.820 0.057 0.000 2.119 369 A HA 0.438 4.758 4.320 0.001 0.000 0.217 369 A C 1.208 178.795 177.584 0.005 0.000 1.153 369 A CA 1.699 53.742 52.037 0.011 0.000 0.692 369 A CB -0.220 18.795 19.000 0.024 0.000 0.799 369 A HN 1.558 nan 8.150 nan 0.000 0.458 370 G N -2.616 106.193 108.800 0.015 0.000 2.846 370 G HA2 0.411 4.371 3.960 0.001 0.000 0.299 370 G HA3 0.411 4.371 3.960 0.001 0.000 0.299 370 G C 0.267 175.163 174.900 -0.005 0.000 1.242 370 G CA 0.804 45.906 45.100 0.003 0.000 0.800 370 G HN 0.503 nan 8.290 nan 0.000 0.538 371 T N -2.982 111.565 114.554 -0.012 0.000 3.087 371 T HA 0.463 4.813 4.350 0.001 0.000 0.283 371 T C 0.895 175.578 174.700 -0.029 0.000 0.956 371 T CA 0.947 63.031 62.100 -0.025 0.000 0.894 371 T CB 0.479 69.325 68.868 -0.036 0.000 1.160 371 T HN 1.082 nan 8.240 nan 0.000 0.532 372 G N 1.227 110.013 108.800 -0.024 0.000 2.462 372 G HA2 0.532 4.492 3.960 0.001 0.000 0.319 372 G HA3 0.532 4.492 3.960 0.001 0.000 0.319 372 G C -0.504 174.365 174.900 -0.052 0.000 1.171 372 G CA -0.820 44.253 45.100 -0.046 0.000 0.920 372 G HN 0.233 nan 8.290 nan 0.000 0.499 373 N N -0.390 118.232 118.700 -0.130 0.000 2.353 373 N HA 0.242 4.982 4.740 0.001 0.000 0.248 373 N C 1.373 176.891 175.510 0.012 0.000 1.240 373 N CA 1.468 54.410 53.050 -0.180 0.000 0.862 373 N CB 1.066 39.239 38.487 -0.522 0.000 1.086 373 N HN 1.161 nan 8.380 nan 0.000 0.453 374 G N 0.501 109.385 108.800 0.140 0.000 2.199 374 G HA2 -0.297 3.663 3.960 0.001 0.000 0.254 374 G HA3 -0.297 3.663 3.960 0.001 0.000 0.254 374 G C 0.223 175.184 174.900 0.102 0.000 0.982 374 G CA 0.438 45.624 45.100 0.143 0.000 0.632 374 G HN 0.645 nan 8.290 nan 0.000 0.529 375 T N 2.583 117.187 114.554 0.084 0.000 2.908 375 T HA 0.335 4.685 4.350 0.001 0.000 0.301 375 T C 0.755 175.513 174.700 0.096 0.000 1.019 375 T CA 0.494 62.639 62.100 0.076 0.000 1.152 375 T CB 0.626 69.533 68.868 0.066 0.000 0.966 375 T HN 0.403 nan 8.240 nan 0.000 0.540 376 K N 2.328 122.780 120.400 0.087 0.000 2.350 376 K HA 0.294 4.614 4.320 0.001 0.000 0.279 376 K C -0.397 176.267 176.600 0.107 0.000 1.027 376 K CA -0.458 55.884 56.287 0.091 0.000 0.969 376 K CB 0.708 33.258 32.500 0.082 0.000 0.954 376 K HN 0.277 nan 8.250 nan 0.000 0.474 377 V N 4.567 124.538 119.914 0.096 0.000 2.407 377 V HA 0.136 4.256 4.120 0.001 0.000 0.278 377 V C 0.273 176.417 176.094 0.082 0.000 1.037 377 V CA -0.241 62.114 62.300 0.092 0.000 0.900 377 V CB 0.882 32.700 31.823 -0.008 0.000 0.983 377 V HN 0.866 nan 8.190 nan 0.000 0.459 378 Q N 5.569 125.448 119.800 0.131 0.000 3.019 378 Q HA 0.721 5.061 4.340 0.001 0.000 0.337 378 Q C -1.004 175.133 176.000 0.228 0.000 0.900 378 Q CA -1.003 54.898 55.803 0.163 0.000 0.800 378 Q CB 2.572 31.411 28.738 0.169 0.000 1.437 378 Q HN 0.646 nan 8.270 nan 0.000 0.505 379 I N -2.035 118.695 120.570 0.266 0.000 2.562 379 I HA 0.788 4.958 4.170 0.001 0.000 0.301 379 I C -1.453 174.885 176.117 0.368 0.000 1.003 379 I CA -1.000 60.491 61.300 0.319 0.000 1.127 379 I CB 1.844 40.025 38.000 0.302 0.000 1.304 379 I HN 0.732 nan 8.210 nan 0.000 0.446 380 Y N 2.296 122.723 120.300 0.211 0.000 2.609 380 Y HA 0.445 4.995 4.550 0.001 0.000 0.336 380 Y C -0.483 175.544 175.900 0.212 0.000 1.129 380 Y CA -0.729 57.489 58.100 0.198 0.000 1.040 380 Y CB 2.139 40.734 38.460 0.226 0.000 1.310 380 Y HN 0.780 nan 8.280 nan 0.000 0.460 381 S N 1.811 117.345 115.700 -0.276 0.000 2.558 381 S HA 0.080 4.551 4.470 0.001 0.000 0.288 381 S C -0.497 174.255 174.600 0.252 0.000 1.318 381 S CA -0.207 57.949 58.200 -0.073 0.000 1.056 381 S CB -0.240 62.817 63.200 -0.238 0.000 0.853 381 S HN 0.620 nan 8.310 nan 0.000 0.505 382 c N 5.058 123.792 118.600 0.223 0.000 2.632 382 c HA 0.288 4.858 4.570 0.001 0.000 0.415 382 c C 1.373 175.661 174.090 0.330 0.000 1.332 382 c CA -0.496 55.980 56.329 0.245 0.000 1.874 382 c CB -0.967 41.626 42.510 0.138 0.000 2.596 382 c HN 1.089 nan 8.230 nan 0.000 0.590 383 W N 0.974 122.340 121.300 0.109 0.000 1.526 383 W HA 0.358 5.019 4.660 0.001 0.000 0.218 383 W C 0.664 177.220 176.519 0.062 0.000 0.797 383 W CA 0.129 57.525 57.345 0.084 0.000 0.997 383 W CB -0.862 28.665 29.460 0.111 0.000 0.926 383 W HN 0.950 nan 8.180 nan 0.000 0.483 384 G N 1.584 110.138 108.800 -0.411 0.000 2.141 384 G HA2 -0.137 3.823 3.960 0.001 0.000 0.242 384 G HA3 -0.137 3.823 3.960 0.001 0.000 0.242 384 G C 0.541 174.962 174.900 -0.798 0.000 0.982 384 G CA -0.077 44.758 45.100 -0.442 0.000 0.662 384 G HN 0.685 nan 8.290 nan 0.000 0.527 385 G N -0.574 107.234 108.800 -1.654 0.000 2.527 385 G HA2 0.445 4.406 3.960 0.001 0.000 0.248 385 G HA3 0.445 4.406 3.960 0.001 0.000 0.248 385 G C 0.550 175.054 174.900 -0.661 0.000 1.231 385 G CA 0.390 44.614 45.100 -1.460 0.000 0.838 385 G HN 0.054 nan 8.290 nan 0.000 0.570 386 D N -0.098 120.056 120.400 -0.411 0.000 2.310 386 D HA -0.117 4.523 4.640 0.001 0.000 0.212 386 D C 2.086 178.156 176.300 -0.383 0.000 0.965 386 D CA 0.781 54.586 54.000 -0.326 0.000 0.879 386 D CB 0.195 40.866 40.800 -0.216 0.000 0.921 386 D HN 0.553 nan 8.370 nan 0.000 0.510 387 N N 0.107 118.611 118.700 -0.326 0.000 2.449 387 N HA -0.089 4.652 4.740 0.001 0.000 0.191 387 N C 0.597 175.890 175.510 -0.362 0.000 1.161 387 N CA 0.256 53.117 53.050 -0.316 0.000 0.863 387 N CB 0.092 38.505 38.487 -0.123 0.000 0.980 387 N HN 0.253 nan 8.380 nan 0.000 0.458 388 Q N -0.239 119.324 119.800 -0.396 0.000 2.135 388 Q HA 0.265 4.606 4.340 0.001 0.000 0.222 388 Q C -0.614 175.202 176.000 -0.308 0.000 0.808 388 Q CA -0.075 55.603 55.803 -0.208 0.000 1.049 388 Q CB 0.993 29.644 28.738 -0.145 0.000 1.168 388 Q HN 0.246 nan 8.270 nan 0.000 0.483 389 K N 0.391 120.402 120.400 -0.649 0.000 2.270 389 K HA 0.484 4.804 4.320 0.001 0.000 0.255 389 K C -1.447 174.701 176.600 -0.753 0.000 0.936 389 K CA -0.414 55.595 56.287 -0.465 0.000 0.809 389 K CB 1.438 33.758 32.500 -0.299 0.000 1.131 389 K HN -0.094 nan 8.250 nan 0.000 0.427 390 W N 1.076 122.406 121.300 0.049 0.000 2.962 390 W HA 0.498 5.159 4.660 0.001 0.000 0.341 390 W C -0.285 176.310 176.519 0.125 0.000 1.155 390 W CA -0.862 56.518 57.345 0.059 0.000 1.165 390 W CB 1.104 30.579 29.460 0.026 0.000 1.435 390 W HN 0.174 nan 8.180 nan 0.000 0.546 391 R N 1.772 122.427 120.500 0.258 0.000 2.387 391 R HA 0.513 4.853 4.340 0.001 0.000 0.314 391 R C -0.800 175.529 176.300 0.049 0.000 0.958 391 R CA -0.961 55.226 56.100 0.145 0.000 0.846 391 R CB 1.282 31.631 30.300 0.081 0.000 1.147 391 R HN 0.405 nan 8.270 nan 0.000 0.447 392 L N 4.066 125.243 121.223 -0.076 0.000 2.358 392 L HA 0.225 4.566 4.340 0.001 0.000 0.274 392 L C -0.055 176.775 176.870 -0.066 0.000 1.136 392 L CA -0.649 54.096 54.840 -0.159 0.000 0.970 392 L CB -0.191 41.646 42.059 -0.370 0.000 1.314 392 L HN 0.409 nan 8.230 nan 0.000 0.427 393 N N 0.833 119.526 118.700 -0.013 0.000 2.441 393 N HA -0.038 4.702 4.740 0.001 0.000 0.251 393 N C 1.327 176.833 175.510 -0.008 0.000 1.242 393 N CA 0.161 53.213 53.050 0.004 0.000 0.898 393 N CB 1.351 39.855 38.487 0.028 0.000 1.100 393 N HN 0.524 nan 8.380 nan 0.000 0.443 394 S N 0.069 115.762 115.700 -0.011 0.000 2.442 394 S HA -0.181 4.289 4.470 0.001 0.000 0.236 394 S C 0.906 175.501 174.600 -0.009 0.000 1.007 394 S CA 1.037 59.228 58.200 -0.016 0.000 0.965 394 S CB -0.175 63.013 63.200 -0.020 0.000 0.773 394 S HN 0.697 nan 8.310 nan 0.000 0.504 395 D N 0.661 121.060 120.400 -0.001 0.000 2.363 395 D HA 0.217 4.858 4.640 0.001 0.000 0.226 395 D C 1.413 177.715 176.300 0.003 0.000 1.020 395 D CA 0.644 54.643 54.000 -0.002 0.000 0.892 395 D CB -0.762 40.038 40.800 -0.000 0.000 0.900 395 D HN 0.600 nan 8.370 nan 0.000 0.531 396 G N -0.051 108.760 108.800 0.019 0.000 2.175 396 G HA2 -0.268 3.692 3.960 0.001 0.000 0.244 396 G HA3 -0.268 3.692 3.960 0.001 0.000 0.244 396 G C 0.353 175.336 174.900 0.137 0.000 0.982 396 G CA 0.350 45.480 45.100 0.050 0.000 0.641 396 G HN 0.826 nan 8.290 nan 0.000 0.527 397 S N -0.280 115.489 115.700 0.115 0.000 2.610 397 S HA 0.776 5.247 4.470 0.001 0.000 0.273 397 S C -0.020 174.674 174.600 0.156 0.000 1.274 397 S CA -0.675 57.639 58.200 0.190 0.000 1.023 397 S CB 2.052 65.322 63.200 0.117 0.000 0.962 397 S HN 0.597 nan 8.310 nan 0.000 0.523 398 I N 2.240 122.909 120.570 0.164 0.000 2.411 398 I HA 0.337 4.508 4.170 0.001 0.000 0.284 398 I C -1.047 175.166 176.117 0.159 0.000 1.012 398 I CA -0.894 60.428 61.300 0.038 0.000 1.119 398 I CB 1.790 39.634 38.000 -0.260 0.000 1.261 398 I HN 0.423 nan 8.210 nan 0.000 0.448 399 V N 4.807 124.843 119.914 0.203 0.000 2.483 399 V HA 0.511 4.631 4.120 0.001 0.000 0.295 399 V C 0.814 177.068 176.094 0.266 0.000 1.035 399 V CA -0.719 61.713 62.300 0.221 0.000 0.896 399 V CB 1.559 33.443 31.823 0.103 0.000 0.986 399 V HN 0.846 nan 8.190 nan 0.000 0.447 400 G N 2.522 111.430 108.800 0.181 0.000 2.378 400 G HA2 0.360 4.321 3.960 0.001 0.000 0.255 400 G HA3 0.360 4.321 3.960 0.001 0.000 0.255 400 G C 0.909 175.643 174.900 -0.277 0.000 1.270 400 G CA -0.270 44.628 45.100 -0.337 0.000 0.876 400 G HN 0.552 nan 8.290 nan 0.000 0.521 401 V N 2.096 121.789 119.914 -0.367 0.000 2.255 401 V HA -0.264 3.857 4.120 0.001 0.000 0.247 401 V C 2.872 178.840 176.094 -0.210 0.000 1.051 401 V CA 2.491 64.647 62.300 -0.241 0.000 1.018 401 V CB -0.632 31.045 31.823 -0.242 0.000 0.641 401 V HN 0.890 nan 8.190 nan 0.000 0.445 402 Q N 0.185 119.831 119.800 -0.258 0.000 2.020 402 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 402 Q C 2.439 178.359 176.000 -0.134 0.000 0.982 402 Q CA 2.464 58.159 55.803 -0.180 0.000 0.838 402 Q CB -0.166 28.460 28.738 -0.188 0.000 0.899 402 Q HN 0.766 nan 8.270 nan 0.000 0.423 403 S N -1.578 114.034 115.700 -0.146 0.000 2.414 403 S HA 0.084 4.555 4.470 0.001 0.000 0.227 403 S C 1.500 176.060 174.600 -0.066 0.000 1.022 403 S CA 0.896 59.043 58.200 -0.089 0.000 0.958 403 S CB 0.006 63.166 63.200 -0.067 0.000 0.797 403 S HN 0.740 nan 8.310 nan 0.000 0.493 404 G N 0.524 109.282 108.800 -0.070 0.000 2.143 404 G HA2 -0.176 3.784 3.960 0.001 0.000 0.249 404 G HA3 -0.176 3.784 3.960 0.001 0.000 0.249 404 G C -0.258 174.640 174.900 -0.005 0.000 0.981 404 G CA 0.380 45.454 45.100 -0.043 0.000 0.665 404 G HN 0.485 nan 8.290 nan 0.000 0.528 405 L N -0.038 121.196 121.223 0.019 0.000 2.352 405 L HA 0.749 5.090 4.340 0.001 0.000 0.269 405 L C 0.900 177.858 176.870 0.147 0.000 1.034 405 L CA -1.000 53.880 54.840 0.066 0.000 0.806 405 L CB 1.483 43.572 42.059 0.051 0.000 1.244 405 L HN 0.215 nan 8.230 nan 0.000 0.447 406 c N 1.464 120.165 118.600 0.169 0.000 2.364 406 c HA 0.484 5.055 4.570 0.001 0.000 0.356 406 c C 0.417 174.645 174.090 0.230 0.000 1.201 406 c CA -1.132 55.320 56.329 0.206 0.000 2.227 406 c CB 0.707 43.328 42.510 0.185 0.000 2.387 406 c HN 0.526 nan 8.230 nan 0.000 0.546 407 L N 3.222 124.567 121.223 0.203 0.000 2.453 407 L HA 0.218 4.558 4.340 0.001 0.000 0.272 407 L C 0.213 177.285 176.870 0.337 0.000 1.182 407 L CA 0.991 55.915 54.840 0.140 0.000 0.858 407 L CB 0.144 42.086 42.059 -0.195 0.000 1.120 407 L HN 0.691 nan 8.230 nan 0.000 0.474 408 D N 2.696 123.260 120.400 0.272 0.000 2.964 408 D HA 0.359 4.999 4.640 0.001 0.000 0.234 408 D C -1.008 175.388 176.300 0.160 0.000 1.223 408 D CA -0.486 53.638 54.000 0.208 0.000 0.889 408 D CB 2.220 43.115 40.800 0.158 0.000 1.609 408 D HN 0.515 nan 8.370 nan 0.000 0.523 409 A N 3.664 126.540 122.820 0.094 0.000 2.350 409 A HA 0.388 4.708 4.320 0.001 0.000 0.293 409 A C 0.530 178.113 177.584 -0.001 0.000 1.231 409 A CA -0.451 51.621 52.037 0.059 0.000 0.883 409 A CB 0.208 19.201 19.000 -0.013 0.000 1.133 409 A HN 0.447 nan 8.150 nan 0.000 0.533 410 V N 2.997 122.922 119.914 0.019 0.000 2.678 410 V HA 0.141 4.261 4.120 0.001 0.000 0.304 410 V C 1.713 177.783 176.094 -0.040 0.000 1.086 410 V CA 1.792 64.088 62.300 -0.008 0.000 1.246 410 V CB -0.472 31.364 31.823 0.022 0.000 0.861 410 V HN 1.895 nan 8.190 nan 0.000 0.491 411 G N 4.102 112.855 108.800 -0.079 0.000 2.296 411 G HA2 -0.044 3.916 3.960 0.001 0.000 0.282 411 G HA3 -0.044 3.916 3.960 0.001 0.000 0.282 411 G C 1.127 175.978 174.900 -0.081 0.000 1.014 411 G CA 0.673 45.724 45.100 -0.082 0.000 0.812 411 G HN 2.487 nan 8.290 nan 0.000 0.508 412 G N -1.655 107.087 108.800 -0.097 0.000 2.187 412 G HA2 0.139 4.099 3.960 0.001 0.000 0.261 412 G HA3 0.139 4.099 3.960 0.001 0.000 0.261 412 G C 1.374 176.228 174.900 -0.077 0.000 1.000 412 G CA 0.964 46.006 45.100 -0.097 0.000 0.718 412 G HN 2.157 nan 8.290 nan 0.000 0.519 413 G N -0.964 107.803 108.800 -0.055 0.000 2.484 413 G HA2 0.491 4.451 3.960 0.001 0.000 0.235 413 G HA3 0.491 4.451 3.960 0.001 0.000 0.235 413 G C 1.070 175.942 174.900 -0.047 0.000 1.282 413 G CA 1.093 46.170 45.100 -0.039 0.000 0.857 413 G HN 1.385 nan 8.290 nan 0.000 0.571 414 T N -1.962 112.566 114.554 -0.044 0.000 2.986 414 T HA 0.560 4.911 4.350 0.001 0.000 0.264 414 T C 1.051 175.724 174.700 -0.045 0.000 0.964 414 T CA 0.706 62.774 62.100 -0.053 0.000 0.895 414 T CB 0.192 69.022 68.868 -0.064 0.000 1.163 414 T HN 0.945 nan 8.240 nan 0.000 0.517 415 A N 2.179 124.977 122.820 -0.036 0.000 2.313 415 A HA 0.554 4.874 4.320 0.001 0.000 0.261 415 A C 0.289 177.850 177.584 -0.038 0.000 1.090 415 A CA -0.657 51.353 52.037 -0.045 0.000 0.807 415 A CB 0.012 18.993 19.000 -0.032 0.000 1.055 415 A HN 0.415 nan 8.150 nan 0.000 0.492 416 N N -0.148 118.497 118.700 -0.092 0.000 2.407 416 N HA 0.274 5.015 4.740 0.001 0.000 0.250 416 N C 1.160 176.720 175.510 0.083 0.000 1.236 416 N CA 1.738 54.733 53.050 -0.091 0.000 0.879 416 N CB 0.865 39.144 38.487 -0.345 0.000 1.088 416 N HN 1.267 nan 8.380 nan 0.000 0.450 417 G N 0.875 109.792 108.800 0.195 0.000 2.213 417 G HA2 -0.279 3.682 3.960 0.001 0.000 0.236 417 G HA3 -0.279 3.682 3.960 0.001 0.000 0.236 417 G C 0.177 175.143 174.900 0.111 0.000 0.991 417 G CA 0.250 45.448 45.100 0.164 0.000 0.629 417 G HN 0.608 nan 8.290 nan 0.000 0.517 418 T N 2.602 117.209 114.554 0.089 0.000 2.867 418 T HA 0.446 4.797 4.350 0.001 0.000 0.297 418 T C 1.004 175.757 174.700 0.088 0.000 0.989 418 T CA 0.218 62.359 62.100 0.068 0.000 1.159 418 T CB 0.853 69.748 68.868 0.045 0.000 0.928 418 T HN 0.378 nan 8.240 nan 0.000 0.538 419 L N 3.506 124.775 121.223 0.076 0.000 2.439 419 L HA 0.432 4.772 4.340 0.001 0.000 0.261 419 L C 0.268 177.189 176.870 0.084 0.000 1.153 419 L CA -1.018 53.871 54.840 0.081 0.000 0.808 419 L CB 0.427 42.529 42.059 0.073 0.000 1.126 419 L HN 0.394 nan 8.230 nan 0.000 0.460 420 I N 1.722 122.338 120.570 0.078 0.000 2.377 420 I HA 0.316 4.486 4.170 0.001 0.000 0.293 420 I C 0.007 176.167 176.117 0.072 0.000 0.987 420 I CA -0.238 61.106 61.300 0.074 0.000 1.185 420 I CB 1.313 39.315 38.000 0.003 0.000 1.341 420 I HN 0.725 nan 8.210 nan 0.000 0.455 421 Q N 6.040 125.900 119.800 0.101 0.000 2.587 421 Q HA 0.740 5.080 4.340 0.001 0.000 0.293 421 Q C -1.711 174.386 176.000 0.160 0.000 1.083 421 Q CA -0.984 54.894 55.803 0.125 0.000 0.792 421 Q CB 2.534 31.356 28.738 0.140 0.000 1.484 421 Q HN 0.468 nan 8.270 nan 0.000 0.446 422 L N 1.160 122.490 121.223 0.178 0.000 2.343 422 L HA 0.630 4.970 4.340 0.001 0.000 0.275 422 L C -1.170 175.843 176.870 0.239 0.000 1.056 422 L CA -0.777 54.180 54.840 0.195 0.000 0.804 422 L CB 1.010 43.161 42.059 0.152 0.000 1.203 422 L HN 0.693 nan 8.230 nan 0.000 0.440 423 Y N -0.071 120.278 120.300 0.081 0.000 2.662 423 Y HA 0.149 4.700 4.550 0.001 0.000 0.334 423 Y C -0.160 175.771 175.900 0.052 0.000 1.185 423 Y CA -0.788 57.346 58.100 0.058 0.000 1.074 423 Y CB 1.774 40.265 38.460 0.052 0.000 1.330 423 Y HN 0.483 nan 8.280 nan 0.000 0.458 424 S N 2.234 117.884 115.700 -0.083 0.000 2.575 424 S HA 0.026 4.497 4.470 0.001 0.000 0.295 424 S C -0.391 174.328 174.600 0.199 0.000 1.267 424 S CA -0.078 58.147 58.200 0.041 0.000 1.074 424 S CB -0.516 62.668 63.200 -0.026 0.000 0.829 424 S HN 0.596 nan 8.310 nan 0.000 0.497 425 c N 4.054 122.726 118.600 0.121 0.000 2.590 425 c HA 0.161 4.731 4.570 0.001 0.000 0.411 425 c C 1.867 176.013 174.090 0.094 0.000 1.420 425 c CA -0.071 56.324 56.329 0.110 0.000 1.643 425 c CB -0.921 41.635 42.510 0.076 0.000 2.528 425 c HN 1.019 nan 8.230 nan 0.000 0.606 426 S N 1.117 116.865 115.700 0.080 0.000 2.733 426 S HA 0.102 4.572 4.470 0.001 0.000 0.247 426 S C 0.663 175.271 174.600 0.013 0.000 1.043 426 S CA 0.006 58.235 58.200 0.049 0.000 1.066 426 S CB -0.208 63.021 63.200 0.048 0.000 1.045 426 S HN 0.837 nan 8.310 nan 0.000 0.586 427 N N 1.160 119.864 118.700 0.006 0.000 2.863 427 N HA -0.114 4.627 4.740 0.001 0.000 0.245 427 N C 0.495 175.978 175.510 -0.045 0.000 1.001 427 N CA 0.977 54.017 53.050 -0.017 0.000 0.901 427 N CB -1.606 36.874 38.487 -0.013 0.000 1.124 427 N HN 0.729 nan 8.380 nan 0.000 0.582 428 G N 0.085 108.852 108.800 -0.054 0.000 2.606 428 G HA2 0.288 4.249 3.960 0.001 0.000 0.252 428 G HA3 0.288 4.249 3.960 0.001 0.000 0.252 428 G C 1.047 175.867 174.900 -0.133 0.000 1.206 428 G CA 0.432 45.481 45.100 -0.085 0.000 0.861 428 G HN 0.276 nan 8.290 nan 0.000 0.561 429 S N 0.090 115.700 115.700 -0.150 0.000 2.474 429 S HA -0.150 4.321 4.470 0.001 0.000 0.235 429 S C 1.653 176.066 174.600 -0.311 0.000 0.997 429 S CA 1.022 59.099 58.200 -0.205 0.000 0.949 429 S CB -0.215 62.885 63.200 -0.167 0.000 0.766 429 S HN 0.734 nan 8.310 nan 0.000 0.517 430 N N 1.010 119.548 118.700 -0.271 0.000 2.449 430 N HA 0.016 4.756 4.740 0.001 0.000 0.191 430 N C 0.793 176.081 175.510 -0.369 0.000 1.161 430 N CA 0.120 52.974 53.050 -0.327 0.000 0.863 430 N CB -0.226 38.143 38.487 -0.197 0.000 0.980 430 N HN 0.599 nan 8.380 nan 0.000 0.458 431 Q N -0.600 118.988 119.800 -0.354 0.000 2.103 431 Q HA 0.252 4.593 4.340 0.001 0.000 0.219 431 Q C -0.489 175.319 176.000 -0.319 0.000 0.784 431 Q CA -0.381 55.307 55.803 -0.191 0.000 1.014 431 Q CB 1.127 29.859 28.738 -0.009 0.000 1.183 431 Q HN 0.119 nan 8.270 nan 0.000 0.469 432 R N 0.041 120.174 120.500 -0.612 0.000 2.460 432 R HA 0.428 4.768 4.340 0.001 0.000 0.303 432 R C -1.270 174.583 176.300 -0.746 0.000 0.968 432 R CA -0.048 55.785 56.100 -0.445 0.000 0.889 432 R CB 0.867 31.015 30.300 -0.253 0.000 1.123 432 R HN -0.019 nan 8.270 nan 0.000 0.455 433 W N -0.062 121.190 121.300 -0.081 0.000 3.033 433 W HA 0.410 5.070 4.660 0.001 0.000 0.336 433 W C -0.136 176.334 176.519 -0.082 0.000 1.173 433 W CA -0.737 56.553 57.345 -0.092 0.000 1.185 433 W CB 1.386 30.767 29.460 -0.132 0.000 1.425 433 W HN 0.491 nan 8.180 nan 0.000 0.536 434 T N -0.608 114.038 114.554 0.154 0.000 2.807 434 T HA 0.655 5.006 4.350 0.001 0.000 0.279 434 T C -0.489 174.251 174.700 0.067 0.000 0.993 434 T CA -1.143 61.000 62.100 0.072 0.000 0.970 434 T CB 1.358 70.246 68.868 0.034 0.000 0.950 434 T HN 0.412 nan 8.240 nan 0.000 0.441 435 R N 2.472 122.990 120.500 0.030 0.000 2.265 435 R HA 0.677 5.017 4.340 0.001 0.000 0.319 435 R C 0.086 176.399 176.300 0.021 0.000 1.006 435 R CA -0.581 55.529 56.100 0.016 0.000 0.880 435 R CB 1.571 31.860 30.300 -0.019 0.000 1.077 435 R HN 0.989 nan 8.270 nan 0.000 0.454 436 T N 0.000 114.573 114.554 0.031 0.000 3.816 436 T HA 0.000 4.351 4.350 0.001 0.000 0.228 436 T CA 0.000 62.117 62.100 0.028 0.000 1.349 436 T CB 0.000 68.885 68.868 0.028 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658