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 1gos_1_A DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLIGLTT 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.644 176.600 0.073 0.000 0.988 4 K CA 0.000 56.310 56.287 0.039 0.000 0.838 4 K CB 0.000 32.507 32.500 0.011 0.000 1.064 5 C N -1.159 118.193 119.300 0.086 0.000 3.233 5 C HA 0.559 5.019 4.460 0.000 0.000 0.347 5 C C 0.140 175.167 174.990 0.061 0.000 4.568 5 C CA 0.228 59.292 59.018 0.076 0.000 1.383 5 C CB 0.480 28.279 27.740 0.099 0.000 5.156 5 C HN 0.938 nan 8.230 nan 0.000 0.454 6 D N -0.063 120.378 120.400 0.068 0.000 2.652 6 D HA 0.392 5.032 4.640 0.000 0.000 0.261 6 D C -0.155 176.208 176.300 0.105 0.000 1.024 6 D CA 1.206 55.250 54.000 0.074 0.000 0.958 6 D CB 0.830 41.672 40.800 0.070 0.000 1.113 6 D HN 0.475 nan 8.370 nan 0.000 0.471 7 V N 0.841 120.815 119.914 0.099 0.000 2.733 7 V HA 0.356 4.476 4.120 0.000 0.000 0.306 7 V C -0.687 175.447 176.094 0.068 0.000 1.084 7 V CA -0.803 61.566 62.300 0.115 0.000 0.905 7 V CB 2.570 34.456 31.823 0.104 0.000 1.010 7 V HN -0.206 nan 8.190 nan 0.000 0.424 8 V N 5.295 125.241 119.914 0.054 0.000 2.483 8 V HA 0.556 4.676 4.120 0.000 0.000 0.295 8 V C -0.276 175.817 176.094 -0.002 0.000 1.035 8 V CA -0.455 61.847 62.300 0.002 0.000 0.896 8 V CB 2.147 33.957 31.823 -0.022 0.000 0.986 8 V HN 0.598 nan 8.190 nan 0.000 0.447 9 V N 5.554 125.452 119.914 -0.027 0.000 2.483 9 V HA 0.287 4.407 4.120 0.000 0.000 0.295 9 V C 0.711 176.786 176.094 -0.032 0.000 1.035 9 V CA -0.073 62.219 62.300 -0.015 0.000 0.896 9 V CB 1.953 33.770 31.823 -0.009 0.000 0.986 9 V HN 0.682 nan 8.190 nan 0.000 0.447 10 V N 3.648 123.559 119.914 -0.006 0.000 2.725 10 V HA 0.170 4.290 4.120 0.000 0.000 0.247 10 V C 1.282 177.377 176.094 0.002 0.000 1.058 10 V CA 1.415 63.711 62.300 -0.008 0.000 1.080 10 V CB 0.078 31.910 31.823 0.014 0.000 0.713 10 V HN 0.897 nan 8.190 nan 0.000 0.465 11 G N -0.858 107.959 108.800 0.028 0.000 2.367 11 G HA2 0.464 4.424 3.960 0.000 0.000 0.314 11 G HA3 0.464 4.424 3.960 0.000 0.000 0.314 11 G C 0.866 175.772 174.900 0.010 0.000 1.130 11 G CA 0.243 45.361 45.100 0.030 0.000 0.864 11 G HN 0.299 nan 8.290 nan 0.000 0.486 12 G N 0.583 109.384 108.800 0.001 0.000 2.920 12 G HA2 0.355 4.315 3.960 0.000 0.000 0.208 12 G HA3 0.355 4.315 3.960 0.000 0.000 0.208 12 G C 0.888 175.799 174.900 0.018 0.000 1.159 12 G CA 0.636 45.734 45.100 -0.004 0.000 0.784 12 G HN 0.893 nan 8.290 nan 0.000 0.535 13 G N -0.077 108.748 108.800 0.041 0.000 2.510 13 G HA2 0.375 4.335 3.960 0.000 0.000 0.280 13 G HA3 0.375 4.335 3.960 0.000 0.000 0.280 13 G C 0.997 175.924 174.900 0.045 0.000 1.386 13 G CA -0.674 44.459 45.100 0.055 0.000 1.047 13 G HN 0.055 nan 8.290 nan 0.000 0.527 14 I N -0.576 120.025 120.570 0.051 0.000 2.226 14 I HA -0.187 3.983 4.170 0.000 0.000 0.245 14 I C 3.034 179.176 176.117 0.041 0.000 1.100 14 I CA 1.503 62.825 61.300 0.035 0.000 1.374 14 I CB -0.069 37.953 38.000 0.037 0.000 1.057 14 I HN 0.453 nan 8.210 nan 0.000 0.413 15 S N 0.441 116.180 115.700 0.064 0.000 2.370 15 S HA -0.147 4.323 4.470 0.000 0.000 0.226 15 S C 2.063 176.692 174.600 0.049 0.000 1.033 15 S CA 1.640 59.882 58.200 0.069 0.000 1.011 15 S CB -0.627 62.634 63.200 0.101 0.000 0.852 15 S HN 0.588 nan 8.310 nan 0.000 0.457 16 G N 2.007 110.835 108.800 0.045 0.000 2.484 16 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 16 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 16 G C 1.480 176.385 174.900 0.008 0.000 1.219 16 G CA 1.143 46.260 45.100 0.028 0.000 0.791 16 G HN 0.394 nan 8.290 nan 0.000 0.550 17 M N 1.435 121.035 119.600 -0.000 0.000 2.110 17 M HA -0.155 4.325 4.480 0.000 0.000 0.257 17 M C 3.067 179.355 176.300 -0.019 0.000 1.071 17 M CA 1.750 57.039 55.300 -0.019 0.000 1.096 17 M CB -1.706 30.880 32.600 -0.023 0.000 1.300 17 M HN 0.325 nan 8.290 nan 0.000 0.411 18 A N 0.285 123.100 122.820 -0.008 0.000 1.940 18 A HA -0.169 4.151 4.320 0.000 0.000 0.221 18 A C 2.452 180.033 177.584 -0.005 0.000 1.190 18 A CA 3.144 55.178 52.037 -0.005 0.000 0.647 18 A CB -1.065 17.940 19.000 0.009 0.000 0.821 18 A HN 0.599 nan 8.150 nan 0.000 0.457 19 A N -0.989 121.831 122.820 -0.001 0.000 1.903 19 A HA 0.369 4.689 4.320 0.000 0.000 0.213 19 A C 2.517 180.097 177.584 -0.006 0.000 1.185 19 A CA 1.634 53.667 52.037 -0.007 0.000 0.628 19 A CB -1.075 17.923 19.000 -0.003 0.000 0.830 19 A HN 1.169 nan 8.150 nan 0.000 0.446 20 A N 0.508 123.323 122.820 -0.008 0.000 1.869 20 A HA -0.288 4.032 4.320 0.000 0.000 0.218 20 A C 2.106 179.694 177.584 0.007 0.000 1.203 20 A CA 2.471 54.504 52.037 -0.006 0.000 0.638 20 A CB -0.725 18.258 19.000 -0.028 0.000 0.831 20 A HN 0.567 nan 8.150 nan 0.000 0.450 21 K N -0.938 119.449 120.400 -0.021 0.000 1.988 21 K HA -0.238 4.082 4.320 0.000 0.000 0.221 21 K C 1.943 178.575 176.600 0.054 0.000 1.053 21 K CA 1.973 58.255 56.287 -0.009 0.000 0.959 21 K CB -0.490 31.993 32.500 -0.028 0.000 0.728 21 K HN 0.320 nan 8.250 nan 0.000 0.447 22 L N 1.721 122.957 121.223 0.022 0.000 2.010 22 L HA -0.248 4.092 4.340 0.000 0.000 0.219 22 L C 1.998 178.883 176.870 0.026 0.000 1.077 22 L CA 1.786 56.636 54.840 0.016 0.000 0.773 22 L CB -0.944 41.107 42.059 -0.012 0.000 0.892 22 L HN 0.403 nan 8.230 nan 0.000 0.436 23 L N -1.210 120.027 121.223 0.024 0.000 1.970 23 L HA -0.299 4.041 4.340 0.000 0.000 0.212 23 L C 2.658 179.562 176.870 0.056 0.000 1.071 23 L CA 1.932 56.783 54.840 0.018 0.000 0.751 23 L CB -0.844 41.226 42.059 0.017 0.000 0.889 23 L HN 0.544 nan 8.230 nan 0.000 0.432 24 H N -0.109 118.950 119.070 -0.018 0.000 2.352 24 H HA -0.223 4.333 4.556 0.000 0.000 0.299 24 H C 1.689 177.010 175.328 -0.011 0.000 1.097 24 H CA 1.960 58.002 56.048 -0.011 0.000 1.311 24 H CB 0.009 29.766 29.762 -0.008 0.000 1.377 24 H HN 0.242 nan 8.280 nan 0.000 0.504 25 D N -0.493 120.017 120.400 0.183 0.000 2.393 25 D HA -0.113 4.527 4.640 0.000 0.000 0.220 25 D C 1.291 177.574 176.300 -0.028 0.000 0.974 25 D CA 1.073 55.121 54.000 0.080 0.000 0.931 25 D CB -0.148 40.698 40.800 0.078 0.000 0.889 25 D HN 0.294 nan 8.370 nan 0.000 0.512 26 S N -1.878 113.797 115.700 -0.042 0.000 2.650 26 S HA 0.386 4.856 4.470 0.000 0.000 0.240 26 S C 1.268 175.827 174.600 -0.069 0.000 1.007 26 S CA 0.513 58.684 58.200 -0.047 0.000 0.984 26 S CB 0.192 63.374 63.200 -0.030 0.000 0.910 26 S HN 0.325 nan 8.310 nan 0.000 0.509 27 G N 1.122 109.848 108.800 -0.122 0.000 2.176 27 G HA2 -0.192 3.768 3.960 0.000 0.000 0.253 27 G HA3 -0.192 3.768 3.960 0.000 0.000 0.253 27 G C 0.010 174.864 174.900 -0.077 0.000 0.979 27 G CA 0.154 45.185 45.100 -0.115 0.000 0.641 27 G HN 0.478 nan 8.290 nan 0.000 0.530 28 L N 0.868 122.062 121.223 -0.048 0.000 2.395 28 L HA 0.321 4.661 4.340 0.000 0.000 0.269 28 L C 0.152 177.033 176.870 0.018 0.000 1.133 28 L CA -0.763 54.074 54.840 -0.005 0.000 0.812 28 L CB 0.589 42.653 42.059 0.008 0.000 1.125 28 L HN 0.031 nan 8.230 nan 0.000 0.452 29 N N 2.181 120.902 118.700 0.034 0.000 2.448 29 N HA 0.170 4.910 4.740 0.000 0.000 0.250 29 N C -0.403 175.150 175.510 0.071 0.000 1.136 29 N CA 0.005 53.087 53.050 0.054 0.000 0.953 29 N CB 1.016 39.530 38.487 0.046 0.000 1.251 29 N HN 0.204 nan 8.380 nan 0.000 0.502 30 V N 1.978 121.945 119.914 0.088 0.000 3.109 30 V HA 0.536 4.656 4.120 0.000 0.000 0.317 30 V C 0.277 176.404 176.094 0.055 0.000 1.074 30 V CA -0.568 61.774 62.300 0.071 0.000 1.033 30 V CB 2.250 34.118 31.823 0.075 0.000 1.111 30 V HN 0.191 nan 8.190 nan 0.000 0.458 31 V N 1.653 121.581 119.914 0.022 0.000 2.924 31 V HA 0.368 4.488 4.120 0.000 0.000 0.300 31 V C -1.057 175.000 176.094 -0.062 0.000 1.227 31 V CA -0.500 61.794 62.300 -0.011 0.000 0.954 31 V CB 2.483 34.304 31.823 -0.003 0.000 1.055 31 V HN 0.520 nan 8.190 nan 0.000 0.429 32 V N 5.946 125.815 119.914 -0.075 0.000 2.334 32 V HA 0.454 4.574 4.120 0.000 0.000 0.281 32 V C -0.143 175.872 176.094 -0.131 0.000 1.016 32 V CA -0.447 61.802 62.300 -0.086 0.000 0.832 32 V CB 1.452 33.241 31.823 -0.057 0.000 0.999 32 V HN 0.618 nan 8.190 nan 0.000 0.439 33 L N 4.817 125.936 121.223 -0.174 0.000 2.278 33 L HA 0.555 4.895 4.340 0.000 0.000 0.287 33 L C 0.103 176.893 176.870 -0.133 0.000 1.072 33 L CA -0.038 54.678 54.840 -0.207 0.000 0.819 33 L CB 0.990 42.894 42.059 -0.259 0.000 1.176 33 L HN 0.680 nan 8.230 nan 0.000 0.435 34 E N 2.734 122.863 120.200 -0.118 0.000 2.256 34 E HA 0.576 4.926 4.350 0.000 0.000 0.267 34 E C -0.116 176.393 176.600 -0.153 0.000 0.892 34 E CA -0.371 55.962 56.400 -0.111 0.000 0.775 34 E CB 2.100 31.754 29.700 -0.076 0.000 1.207 34 E HN 0.482 nan 8.360 nan 0.000 0.420 35 A N 4.369 127.052 122.820 -0.228 0.000 2.044 35 A HA 0.167 4.487 4.320 0.000 0.000 0.213 35 A C 0.703 178.097 177.584 -0.316 0.000 1.169 35 A CA 0.477 52.289 52.037 -0.373 0.000 0.724 35 A CB -0.205 18.328 19.000 -0.778 0.000 0.840 35 A HN 0.609 nan 8.150 nan 0.000 0.463 36 R N -0.136 120.237 120.500 -0.212 0.000 2.810 36 R HA 0.432 4.772 4.340 0.000 0.000 0.245 36 R C -0.162 176.091 176.300 -0.077 0.000 1.168 36 R CA -0.064 55.962 56.100 -0.124 0.000 1.096 36 R CB 0.201 30.454 30.300 -0.079 0.000 1.259 36 R HN 0.069 nan 8.270 nan 0.000 0.518 37 D N 0.174 120.542 120.400 -0.054 0.000 2.183 37 D HA -0.125 4.515 4.640 0.000 0.000 0.203 37 D C 0.536 176.820 176.300 -0.026 0.000 0.969 37 D CA 0.986 54.966 54.000 -0.034 0.000 0.842 37 D CB -0.216 40.571 40.800 -0.022 0.000 0.957 37 D HN 0.502 nan 8.370 nan 0.000 0.484 38 R N -0.408 120.072 120.500 -0.035 0.000 2.611 38 R HA 0.553 4.893 4.340 0.000 0.000 0.243 38 R C 0.465 176.763 176.300 -0.003 0.000 1.260 38 R CA -0.803 55.292 56.100 -0.008 0.000 1.095 38 R CB 0.525 30.817 30.300 -0.015 0.000 1.259 38 R HN -0.034 nan 8.270 nan 0.000 0.575 39 V N -1.355 118.575 119.914 0.027 0.000 3.363 39 V HA 0.209 4.329 4.120 0.000 0.000 0.270 39 V C 0.443 176.568 176.094 0.052 0.000 1.667 39 V CA 0.544 62.858 62.300 0.023 0.000 1.034 39 V CB 0.826 32.654 31.823 0.009 0.000 0.857 39 V HN 0.904 nan 8.190 nan 0.000 0.410 40 G N 0.102 108.957 108.800 0.093 0.000 2.614 40 G HA2 0.427 4.387 3.960 0.000 0.000 0.239 40 G HA3 0.427 4.387 3.960 0.000 0.000 0.239 40 G C 0.848 175.833 174.900 0.141 0.000 1.240 40 G CA 0.491 45.666 45.100 0.125 0.000 0.842 40 G HN 0.534 nan 8.290 nan 0.000 0.584 41 G N 0.063 108.942 108.800 0.132 0.000 2.913 41 G HA2 0.038 3.998 3.960 0.000 0.000 0.145 41 G HA3 0.038 3.998 3.960 0.000 0.000 0.145 41 G C 0.882 175.906 174.900 0.208 0.000 1.801 41 G CA -0.524 44.658 45.100 0.136 0.000 1.033 41 G HN 0.561 nan 8.290 nan 0.000 0.495 42 R N 0.125 120.694 120.500 0.115 0.000 4.054 42 R HA 0.228 4.568 4.340 0.000 0.000 0.227 42 R C -0.306 175.943 176.300 -0.084 0.000 1.902 42 R CA 0.127 56.170 56.100 -0.095 0.000 1.590 42 R CB -0.331 29.798 30.300 -0.285 0.000 1.245 42 R HN 0.161 nan 8.270 nan 0.000 0.647 43 T N 0.339 115.005 114.554 0.188 0.000 2.881 43 T HA 0.363 4.713 4.350 0.000 0.000 0.291 43 T C -2.029 172.898 174.700 0.378 0.000 0.990 43 T CA -0.521 61.701 62.100 0.203 0.000 0.976 43 T CB 0.701 69.641 68.868 0.119 0.000 0.970 43 T HN 0.227 nan 8.240 nan 0.000 0.438 44 Y N 2.521 122.957 120.300 0.228 0.000 2.436 44 Y HA 0.539 5.089 4.550 0.000 0.000 0.327 44 Y C -1.275 174.722 175.900 0.163 0.000 1.138 44 Y CA -0.782 57.443 58.100 0.208 0.000 1.042 44 Y CB 1.841 40.474 38.460 0.287 0.000 1.302 44 Y HN 0.502 nan 8.280 nan 0.000 0.439 45 T N 7.705 122.057 114.554 -0.336 0.000 2.815 45 T HA 0.428 4.778 4.350 0.000 0.000 0.289 45 T C -1.150 173.261 174.700 -0.481 0.000 1.000 45 T CA -0.436 61.484 62.100 -0.301 0.000 0.958 45 T CB 0.722 69.546 68.868 -0.074 0.000 0.944 45 T HN 0.605 nan 8.240 nan 0.000 0.442 46 L N 4.294 125.257 121.223 -0.432 0.000 2.395 46 L HA 0.618 4.958 4.340 0.000 0.000 0.269 46 L C -0.055 176.751 176.870 -0.107 0.000 1.133 46 L CA 0.149 54.798 54.840 -0.319 0.000 0.812 46 L CB 0.456 42.390 42.059 -0.207 0.000 1.125 46 L HN 0.562 nan 8.230 nan 0.000 0.452 47 R N 3.094 123.561 120.500 -0.056 0.000 2.574 47 R HA 0.614 4.954 4.340 0.000 0.000 0.288 47 R C -1.531 174.761 176.300 -0.013 0.000 1.004 47 R CA -0.823 55.269 56.100 -0.013 0.000 0.895 47 R CB 1.659 31.959 30.300 0.000 0.000 1.191 47 R HN 0.870 nan 8.270 nan 0.000 0.444 48 N N 0.032 118.716 118.700 -0.028 0.000 3.997 48 N HA -0.110 4.630 4.740 0.000 0.000 0.209 48 N C 0.147 175.619 175.510 -0.063 0.000 1.108 48 N CA -0.744 52.287 53.050 -0.033 0.000 1.020 48 N CB 0.757 39.232 38.487 -0.020 0.000 1.628 48 N HN 0.571 nan 8.380 nan 0.000 0.588 49 Q N 1.382 121.152 119.800 -0.051 0.000 2.062 49 Q HA -0.230 4.110 4.340 0.000 0.000 0.209 49 Q C 0.735 176.699 176.000 -0.060 0.000 0.996 49 Q CA 1.395 57.174 55.803 -0.041 0.000 0.859 49 Q CB -0.206 28.514 28.738 -0.030 0.000 0.920 49 Q HN 0.582 nan 8.270 nan 0.000 0.415 50 K N -0.139 120.174 120.400 -0.144 0.000 2.160 50 K HA -0.117 4.203 4.320 0.000 0.000 0.206 50 K C 1.896 178.380 176.600 -0.193 0.000 1.047 50 K CA 1.599 57.745 56.287 -0.235 0.000 0.930 50 K CB 0.038 32.152 32.500 -0.643 0.000 0.720 50 K HN 0.311 nan 8.250 nan 0.000 0.450 51 V N -0.828 118.931 119.914 -0.257 0.000 3.359 51 V HA 0.033 4.153 4.120 0.000 0.000 0.245 51 V C 1.344 177.015 176.094 -0.705 0.000 1.247 51 V CA 0.562 62.570 62.300 -0.487 0.000 1.145 51 V CB 0.246 31.916 31.823 -0.254 0.000 0.906 51 V HN 0.301 nan 8.190 nan 0.000 0.464 52 K N 0.071 120.232 120.400 -0.399 0.000 10.400 52 K HA -0.278 4.042 4.320 0.000 0.000 0.519 52 K C -0.043 176.505 176.600 -0.088 0.000 0.379 52 K CA 2.141 58.255 56.287 -0.288 0.000 1.949 52 K CB -0.990 31.183 32.500 -0.545 0.000 0.742 52 K HN 0.627 nan 8.250 nan 0.000 1.161 53 Y N -1.460 118.678 120.300 -0.270 0.000 2.558 53 Y HA 0.612 5.162 4.550 0.000 0.000 0.333 53 Y C -1.233 174.599 175.900 -0.114 0.000 1.125 53 Y CA -0.846 57.157 58.100 -0.160 0.000 1.039 53 Y CB 1.703 40.092 38.460 -0.118 0.000 1.331 53 Y HN 0.004 nan 8.280 nan 0.000 0.456 54 V N -0.025 119.906 119.914 0.029 0.000 2.777 54 V HA 0.387 4.507 4.120 0.000 0.000 0.306 54 V C -1.316 174.797 176.094 0.032 0.000 1.112 54 V CA -0.988 61.329 62.300 0.028 0.000 0.917 54 V CB 1.844 33.690 31.823 0.038 0.000 1.018 54 V HN 0.796 nan 8.190 nan 0.000 0.426 55 D N 3.090 123.526 120.400 0.059 0.000 2.339 55 D HA 0.343 4.983 4.640 0.000 0.000 0.256 55 D C 0.793 177.140 176.300 0.079 0.000 1.214 55 D CA 0.136 54.164 54.000 0.048 0.000 0.877 55 D CB 1.978 42.797 40.800 0.032 0.000 1.111 55 D HN 0.540 nan 8.370 nan 0.000 0.478 56 L N 1.641 122.941 121.223 0.127 0.000 2.554 56 L HA 0.175 4.515 4.340 0.000 0.000 0.225 56 L C 1.565 178.771 176.870 0.560 0.000 1.104 56 L CA 0.190 55.200 54.840 0.283 0.000 0.866 56 L CB 0.336 42.551 42.059 0.261 0.000 1.047 56 L HN 0.359 nan 8.230 nan 0.000 0.468 57 G N -0.673 108.400 108.800 0.456 0.000 3.374 57 G HA2 0.389 4.349 3.960 0.000 0.000 0.200 57 G HA3 0.389 4.349 3.960 0.000 0.000 0.200 57 G C -0.054 174.883 174.900 0.062 0.000 1.801 57 G CA 0.252 45.549 45.100 0.328 0.000 0.842 57 G HN 0.184 nan 8.290 nan 0.000 0.688 58 G N -0.734 108.061 108.800 -0.009 0.000 2.372 58 G HA2 0.440 4.400 3.960 0.000 0.000 0.323 58 G HA3 0.440 4.400 3.960 0.000 0.000 0.323 58 G C -0.020 174.854 174.900 -0.042 0.000 1.152 58 G CA 0.590 45.654 45.100 -0.061 0.000 0.906 58 G HN 0.533 nan 8.290 nan 0.000 0.460 59 S N 1.091 116.708 115.700 -0.139 0.000 2.741 59 S HA 0.239 4.709 4.470 0.000 0.000 0.245 59 S C 0.435 174.842 174.600 -0.322 0.000 1.083 59 S CA -0.261 57.794 58.200 -0.243 0.000 0.873 59 S CB -0.126 62.867 63.200 -0.344 0.000 0.814 59 S HN 0.506 nan 8.310 nan 0.000 0.476 60 Y N 1.289 121.546 120.300 -0.071 0.000 2.459 60 Y HA 0.445 4.995 4.550 0.000 0.000 0.349 60 Y C 0.325 176.118 175.900 -0.178 0.000 1.266 60 Y CA 0.186 58.204 58.100 -0.137 0.000 1.483 60 Y CB 0.343 38.750 38.460 -0.089 0.000 1.362 60 Y HN -0.037 nan 8.280 nan 0.000 0.628 61 V N -0.258 119.591 119.914 -0.107 0.000 3.036 61 V HA 0.674 4.794 4.120 0.000 0.000 0.280 61 V C -0.361 175.560 176.094 -0.289 0.000 1.497 61 V CA -0.152 61.999 62.300 -0.247 0.000 0.982 61 V CB 2.113 33.693 31.823 -0.404 0.000 1.171 61 V HN 1.037 nan 8.190 nan 0.000 0.444 62 G N 3.599 112.186 108.800 -0.355 0.000 2.682 62 G HA2 0.604 4.564 3.960 0.000 0.000 0.303 62 G HA3 0.604 4.564 3.960 0.000 0.000 0.303 62 G C -2.740 172.004 174.900 -0.260 0.000 1.341 62 G CA -0.335 44.593 45.100 -0.287 0.000 0.784 62 G HN 0.430 nan 8.290 nan 0.000 0.497 63 P HA -0.193 nan 4.420 nan 0.000 0.222 63 P C 1.814 179.061 177.300 -0.089 0.000 1.157 63 P CA 2.535 65.579 63.100 -0.092 0.000 0.905 63 P CB 0.130 31.805 31.700 -0.041 0.000 0.792 64 T N -1.283 113.216 114.554 -0.091 0.000 3.118 64 T HA -0.026 4.324 4.350 0.000 0.000 0.260 64 T C 0.667 175.281 174.700 -0.144 0.000 1.139 64 T CA 0.610 62.732 62.100 0.038 0.000 1.085 64 T CB -0.456 68.603 68.868 0.317 0.000 0.934 64 T HN 0.281 nan 8.240 nan 0.000 0.518 65 Q N 1.473 121.020 119.800 -0.423 0.000 2.834 65 Q HA 0.293 4.633 4.340 0.000 0.000 0.271 65 Q C 0.452 176.294 176.000 -0.263 0.000 1.196 65 Q CA -0.406 55.064 55.803 -0.555 0.000 1.063 65 Q CB 0.458 28.731 28.738 -0.776 0.000 1.265 65 Q HN 0.111 nan 8.270 nan 0.000 0.526 66 N N 1.136 119.733 118.700 -0.172 0.000 2.443 66 N HA -0.109 4.631 4.740 0.000 0.000 0.184 66 N C 1.025 176.505 175.510 -0.050 0.000 1.037 66 N CA 1.011 54.011 53.050 -0.082 0.000 0.896 66 N CB 0.344 38.810 38.487 -0.034 0.000 0.959 66 N HN 0.451 nan 8.380 nan 0.000 0.442 67 R N -0.122 120.345 120.500 -0.054 0.000 2.146 67 R HA 0.239 4.579 4.340 0.000 0.000 0.206 67 R C 2.152 178.453 176.300 0.001 0.000 1.049 67 R CA 0.073 56.165 56.100 -0.012 0.000 1.029 67 R CB -0.038 30.267 30.300 0.007 0.000 0.949 67 R HN 0.116 nan 8.270 nan 0.000 0.471 68 I N 1.203 121.770 120.570 -0.006 0.000 2.315 68 I HA -0.226 3.944 4.170 0.000 0.000 0.248 68 I C 1.513 177.692 176.117 0.103 0.000 1.117 68 I CA 0.986 62.315 61.300 0.049 0.000 1.404 68 I CB 0.105 38.153 38.000 0.080 0.000 1.071 68 I HN 0.086 nan 8.210 nan 0.000 0.419 69 L N 1.314 122.582 121.223 0.075 0.000 1.991 69 L HA -0.308 4.032 4.340 0.000 0.000 0.221 69 L C 2.719 179.637 176.870 0.081 0.000 1.079 69 L CA 2.215 57.111 54.840 0.092 0.000 0.778 69 L CB -1.525 40.530 42.059 -0.007 0.000 0.893 69 L HN 0.355 nan 8.230 nan 0.000 0.437 70 R N -0.671 119.849 120.500 0.034 0.000 2.083 70 R HA -0.220 4.120 4.340 0.000 0.000 0.237 70 R C 2.347 178.658 176.300 0.018 0.000 1.137 70 R CA 1.959 58.074 56.100 0.024 0.000 0.951 70 R CB -0.538 29.770 30.300 0.013 0.000 0.851 70 R HN 0.301 nan 8.270 nan 0.000 0.434 71 L N 1.071 122.301 121.223 0.012 0.000 1.976 71 L HA -0.060 4.280 4.340 0.000 0.000 0.209 71 L C 2.488 179.341 176.870 -0.029 0.000 1.071 71 L CA 2.324 57.158 54.840 -0.011 0.000 0.746 71 L CB -1.019 41.029 42.059 -0.017 0.000 0.890 71 L HN 0.298 nan 8.230 nan 0.000 0.432 72 A N -0.340 122.457 122.820 -0.038 0.000 1.954 72 A HA -0.410 3.910 4.320 0.000 0.000 0.222 72 A C 2.401 179.968 177.584 -0.028 0.000 1.199 72 A CA 2.717 54.696 52.037 -0.098 0.000 0.657 72 A CB -0.856 18.160 19.000 0.026 0.000 0.823 72 A HN 0.588 nan 8.150 nan 0.000 0.463 73 K N -0.360 120.056 120.400 0.025 0.000 2.001 73 K HA -0.117 4.203 4.320 0.000 0.000 0.208 73 K C 1.957 178.558 176.600 0.002 0.000 1.048 73 K CA 1.729 58.032 56.287 0.026 0.000 0.932 73 K CB -0.346 32.174 32.500 0.033 0.000 0.715 73 K HN 0.522 nan 8.250 nan 0.000 0.437 74 E N -0.433 119.765 120.200 -0.004 0.000 2.273 74 E HA -0.172 4.178 4.350 0.000 0.000 0.198 74 E C 0.582 177.169 176.600 -0.021 0.000 1.002 74 E CA 1.020 57.414 56.400 -0.009 0.000 0.828 74 E CB 0.051 29.745 29.700 -0.009 0.000 0.747 74 E HN 0.253 nan 8.360 nan 0.000 0.491 75 L N -1.029 120.172 121.223 -0.037 0.000 2.769 75 L HA 0.295 4.635 4.340 0.000 0.000 0.240 75 L C 0.855 177.697 176.870 -0.047 0.000 1.163 75 L CA 0.469 55.279 54.840 -0.049 0.000 0.962 75 L CB 0.810 42.824 42.059 -0.075 0.000 1.258 75 L HN 0.041 nan 8.230 nan 0.000 0.513 76 G N 0.555 109.338 108.800 -0.029 0.000 2.341 76 G HA2 -0.217 3.743 3.960 0.000 0.000 0.278 76 G HA3 -0.217 3.743 3.960 0.000 0.000 0.278 76 G C -0.309 174.580 174.900 -0.018 0.000 1.111 76 G CA -0.078 45.012 45.100 -0.018 0.000 0.982 76 G HN 0.218 nan 8.290 nan 0.000 0.502 77 L N -1.059 120.160 121.223 -0.006 0.000 2.303 77 L HA 0.879 5.219 4.340 0.000 0.000 0.266 77 L C 0.324 177.259 176.870 0.109 0.000 1.011 77 L CA -1.078 53.773 54.840 0.019 0.000 0.818 77 L CB 2.018 44.037 42.059 -0.067 0.000 1.326 77 L HN 0.212 nan 8.230 nan 0.000 0.435 78 E N -0.190 120.108 120.200 0.162 0.000 2.256 78 E HA 0.330 4.680 4.350 0.000 0.000 0.268 78 E C -1.169 175.567 176.600 0.226 0.000 0.877 78 E CA -0.593 55.905 56.400 0.164 0.000 0.757 78 E CB 2.306 32.068 29.700 0.103 0.000 1.183 78 E HN 0.475 nan 8.360 nan 0.000 0.418 79 T N 1.798 116.434 114.554 0.136 0.000 2.791 79 T HA 0.152 4.502 4.350 0.000 0.000 0.323 79 T C -0.849 173.948 174.700 0.161 0.000 1.082 79 T CA 0.578 62.687 62.100 0.014 0.000 1.084 79 T CB 0.043 68.876 68.868 -0.058 0.000 0.992 79 T HN 0.448 nan 8.240 nan 0.000 0.547 80 Y N -1.199 119.074 120.300 -0.045 0.000 2.424 80 Y HA 0.503 5.053 4.550 0.000 0.000 0.323 80 Y C -0.744 175.148 175.900 -0.013 0.000 1.174 80 Y CA -1.537 56.557 58.100 -0.010 0.000 1.060 80 Y CB 0.713 39.188 38.460 0.025 0.000 1.314 80 Y HN 0.476 nan 8.280 nan 0.000 0.439 81 K N 3.115 123.536 120.400 0.036 0.000 2.276 81 K HA 0.484 4.804 4.320 0.000 0.000 0.259 81 K C -0.509 176.089 176.600 -0.003 0.000 1.001 81 K CA -0.746 55.509 56.287 -0.054 0.000 0.927 81 K CB 1.113 33.614 32.500 0.002 0.000 0.969 81 K HN 0.472 nan 8.250 nan 0.000 0.490 82 V N 1.166 121.051 119.914 -0.049 0.000 2.743 82 V HA 0.049 4.169 4.120 0.000 0.000 0.301 82 V C 0.281 176.414 176.094 0.064 0.000 1.057 82 V CA -1.022 61.294 62.300 0.027 0.000 1.006 82 V CB 1.166 32.995 31.823 0.009 0.000 1.024 82 V HN 0.737 nan 8.190 nan 0.000 0.473 83 N N 2.181 120.941 118.700 0.100 0.000 2.434 83 N HA 0.032 4.772 4.740 0.000 0.000 0.268 83 N C 0.305 175.832 175.510 0.030 0.000 1.256 83 N CA 0.408 53.505 53.050 0.077 0.000 0.914 83 N CB 0.270 38.822 38.487 0.109 0.000 1.088 83 N HN 0.850 nan 8.380 nan 0.000 0.478 84 E N 2.840 123.049 120.200 0.015 0.000 3.029 84 E HA 0.081 4.431 4.350 0.000 0.000 0.196 84 E C 0.409 177.004 176.600 -0.008 0.000 0.973 84 E CA -0.046 56.346 56.400 -0.014 0.000 1.242 84 E CB 0.403 30.082 29.700 -0.035 0.000 1.056 84 E HN 0.463 nan 8.360 nan 0.000 0.469 85 V N 0.775 120.697 119.914 0.013 0.000 2.255 85 V HA -0.142 3.978 4.120 0.000 0.000 0.243 85 V C 1.412 177.515 176.094 0.014 0.000 1.038 85 V CA 1.291 63.599 62.300 0.013 0.000 1.008 85 V CB -0.456 31.378 31.823 0.019 0.000 0.645 85 V HN 0.284 nan 8.190 nan 0.000 0.449 86 E N 1.707 121.926 120.200 0.032 0.000 2.973 86 E HA 0.102 4.452 4.350 0.000 0.000 0.279 86 E C 0.030 176.647 176.600 0.028 0.000 1.473 86 E CA -0.221 56.208 56.400 0.047 0.000 1.251 86 E CB 0.293 30.050 29.700 0.094 0.000 1.063 86 E HN 0.467 nan 8.360 nan 0.000 0.685 87 R N -0.554 119.989 120.500 0.071 0.000 2.549 87 R HA 0.593 4.933 4.340 0.000 0.000 0.259 87 R C 0.198 176.464 176.300 -0.057 0.000 1.095 87 R CA -0.707 55.399 56.100 0.010 0.000 1.148 87 R CB 0.470 30.834 30.300 0.105 0.000 1.181 87 R HN 0.312 nan 8.270 nan 0.000 0.571 88 L N 0.535 121.580 121.223 -0.296 0.000 2.271 88 L HA 0.653 4.993 4.340 0.000 0.000 0.265 88 L C -0.197 176.567 176.870 -0.177 0.000 1.013 88 L CA -1.157 53.462 54.840 -0.369 0.000 0.820 88 L CB 1.052 42.669 42.059 -0.738 0.000 1.352 88 L HN 0.434 nan 8.230 nan 0.000 0.443 89 I N -0.241 120.335 120.570 0.010 0.000 2.509 89 I HA 0.330 4.500 4.170 0.000 0.000 0.293 89 I C -1.103 175.337 176.117 0.538 0.000 1.020 89 I CA -0.593 60.856 61.300 0.249 0.000 1.088 89 I CB 2.097 40.074 38.000 -0.039 0.000 1.267 89 I HN 0.519 nan 8.210 nan 0.000 0.430 90 H N 4.690 124.048 119.070 0.481 0.000 2.638 90 H HA 0.364 4.920 4.556 0.000 0.000 0.317 90 H C -1.207 174.378 175.328 0.428 0.000 1.006 90 H CA -0.676 55.585 56.048 0.354 0.000 1.222 90 H CB 0.477 30.322 29.762 0.137 0.000 1.419 90 H HN 0.460 nan 8.280 nan 0.000 0.489 91 H N 4.750 123.968 119.070 0.247 0.000 2.690 91 H HA 0.499 5.055 4.556 0.000 0.000 0.289 91 H C -1.182 174.163 175.328 0.028 0.000 1.089 91 H CA -0.407 55.735 56.048 0.157 0.000 1.299 91 H CB -0.080 29.762 29.762 0.135 0.000 1.405 91 H HN 0.345 nan 8.280 nan 0.000 0.463 92 V N 6.179 125.945 119.914 -0.246 0.000 2.686 92 V HA 0.200 4.320 4.120 0.000 0.000 0.306 92 V C 0.109 176.106 176.094 -0.162 0.000 1.065 92 V CA -1.107 61.033 62.300 -0.266 0.000 0.894 92 V CB 1.796 33.433 31.823 -0.310 0.000 1.004 92 V HN 0.967 nan 8.190 nan 0.000 0.424 93 K N 3.361 123.665 120.400 -0.160 0.000 3.160 93 K HA -0.219 4.101 4.320 0.000 0.000 0.280 93 K C 0.970 177.512 176.600 -0.096 0.000 1.154 93 K CA 0.773 57.008 56.287 -0.087 0.000 0.822 93 K CB -1.369 31.106 32.500 -0.043 0.000 1.239 93 K HN 1.674 nan 8.250 nan 0.000 0.489 94 G N -0.188 108.460 108.800 -0.253 0.000 2.175 94 G HA2 -0.309 3.651 3.960 0.000 0.000 0.244 94 G HA3 -0.309 3.651 3.960 0.000 0.000 0.244 94 G C -0.144 174.777 174.900 0.034 0.000 0.982 94 G CA 0.739 45.758 45.100 -0.136 0.000 0.641 94 G HN 0.315 nan 8.290 nan 0.000 0.527 95 K N 0.333 120.722 120.400 -0.018 0.000 2.267 95 K HA 0.680 5.000 4.320 0.000 0.000 0.246 95 K C -0.410 176.394 176.600 0.340 0.000 0.954 95 K CA -0.612 55.761 56.287 0.145 0.000 0.824 95 K CB 1.905 34.373 32.500 -0.053 0.000 1.167 95 K HN 0.094 nan 8.250 nan 0.000 0.431 96 S N 1.220 117.061 115.700 0.235 0.000 2.541 96 S HA 0.407 4.877 4.470 0.000 0.000 0.283 96 S C -1.143 173.408 174.600 -0.082 0.000 1.196 96 S CA -0.619 57.728 58.200 0.246 0.000 1.062 96 S CB 0.211 63.472 63.200 0.102 0.000 1.009 96 S HN 0.334 nan 8.310 nan 0.000 0.502 97 Y N 1.759 122.207 120.300 0.246 0.000 2.326 97 Y HA 0.423 4.973 4.550 0.000 0.000 0.329 97 Y C -2.559 173.553 175.900 0.354 0.000 0.973 97 Y CA -2.538 55.725 58.100 0.272 0.000 1.162 97 Y CB 0.958 39.582 38.460 0.273 0.000 1.147 97 Y HN 0.444 nan 8.280 nan 0.000 0.456 98 P HA 0.490 nan 4.420 nan 0.000 0.276 98 P C -0.978 176.676 177.300 0.589 0.000 1.252 98 P CA -0.262 63.084 63.100 0.409 0.000 0.802 98 P CB 0.965 32.867 31.700 0.336 0.000 1.035 99 F N -3.212 116.836 119.950 0.163 0.000 2.900 99 F HA 0.602 5.129 4.527 0.000 0.000 0.321 99 F C -1.267 174.596 175.800 0.106 0.000 1.160 99 F CA -1.336 56.744 58.000 0.134 0.000 0.890 99 F CB 0.827 39.903 39.000 0.126 0.000 1.334 99 F HN -0.014 nan 8.300 nan 0.000 0.459 100 R N 0.937 121.481 120.500 0.074 0.000 2.923 100 R HA 0.794 5.134 4.340 0.000 0.000 0.252 100 R C -0.079 176.289 176.300 0.113 0.000 1.130 100 R CA -0.487 55.600 56.100 -0.022 0.000 1.043 100 R CB 1.295 31.625 30.300 0.051 0.000 1.205 100 R HN 1.568 nan 8.270 nan 0.000 0.495 101 G N 0.876 109.711 108.800 0.058 0.000 2.814 101 G HA2 -0.175 3.785 3.960 0.000 0.000 0.677 101 G HA3 -0.175 3.785 3.960 0.000 0.000 0.677 101 G C -2.167 172.828 174.900 0.159 0.000 1.429 101 G CA -0.834 44.342 45.100 0.126 0.000 0.868 101 G HN 0.391 nan 8.290 nan 0.000 0.553 102 P HA 0.224 nan 4.420 nan 0.000 0.233 102 P C 0.304 177.593 177.300 -0.019 0.000 1.167 102 P CA 0.963 64.053 63.100 -0.016 0.000 0.770 102 P CB 0.178 31.785 31.700 -0.155 0.000 0.837 103 F N -0.187 119.866 119.950 0.171 0.000 2.547 103 F HA 0.407 4.934 4.527 0.000 0.000 0.316 103 F C -2.369 173.371 175.800 -0.101 0.000 1.121 103 F CA -2.855 55.152 58.000 0.012 0.000 0.911 103 F CB 2.138 41.077 39.000 -0.102 0.000 1.179 103 F HN -0.340 nan 8.300 nan 0.000 0.443 104 P HA 0.263 nan 4.420 nan 0.000 0.280 104 P C -2.626 174.401 177.300 -0.455 0.000 1.244 104 P CA -1.315 61.222 63.100 -0.939 0.000 0.784 104 P CB 0.152 31.272 31.700 -0.968 0.000 0.913 105 P HA 0.226 nan 4.420 nan 0.000 0.282 105 P C -0.982 176.005 177.300 -0.522 0.000 1.249 105 P CA -0.429 62.500 63.100 -0.286 0.000 0.806 105 P CB 0.691 32.306 31.700 -0.142 0.000 0.984 106 V N 2.508 122.153 119.914 -0.448 0.000 2.540 106 V HA 0.368 4.488 4.120 0.000 0.000 0.302 106 V C 0.755 176.645 176.094 -0.339 0.000 1.035 106 V CA -0.673 61.202 62.300 -0.709 0.000 0.873 106 V CB 1.224 32.579 31.823 -0.780 0.000 0.992 106 V HN 0.563 nan 8.190 nan 0.000 0.428 107 W N 2.153 123.437 121.300 -0.027 0.000 2.348 107 W HA -0.066 4.594 4.660 0.000 0.000 0.324 107 W C 1.204 177.728 176.519 0.007 0.000 1.209 107 W CA 1.115 58.455 57.345 -0.009 0.000 1.275 107 W CB -0.894 28.557 29.460 -0.014 0.000 1.175 107 W HN 0.715 nan 8.180 nan 0.000 0.461 108 N N 2.267 121.183 118.700 0.359 0.000 2.452 108 N HA 0.056 4.796 4.740 0.000 0.000 0.266 108 N C -1.827 173.788 175.510 0.175 0.000 1.175 108 N CA -1.500 51.690 53.050 0.232 0.000 0.945 108 N CB 1.403 40.035 38.487 0.241 0.000 1.063 108 N HN -0.274 nan 8.380 nan 0.000 0.472 109 P HA -0.072 nan 4.420 nan 0.000 0.217 109 P C 0.827 178.211 177.300 0.140 0.000 1.148 109 P CA 1.185 64.367 63.100 0.137 0.000 0.828 109 P CB 0.218 31.961 31.700 0.071 0.000 0.783 110 I N -1.343 119.294 120.570 0.112 0.000 3.684 110 I HA 0.007 4.177 4.170 0.000 0.000 0.308 110 I C 0.508 176.685 176.117 0.101 0.000 1.263 110 I CA 0.820 62.172 61.300 0.086 0.000 1.174 110 I CB -0.656 37.388 38.000 0.073 0.000 1.021 110 I HN 0.029 nan 8.210 nan 0.000 0.451 111 T N -2.400 112.228 114.554 0.123 0.000 3.265 111 T HA -0.044 4.306 4.350 0.000 0.000 0.263 111 T C 1.203 175.951 174.700 0.078 0.000 0.862 111 T CA -0.221 61.962 62.100 0.138 0.000 0.900 111 T CB -0.112 68.854 68.868 0.164 0.000 1.260 111 T HN 0.241 nan 8.240 nan 0.000 0.547 112 Y N 2.773 123.064 120.300 -0.016 0.000 2.200 112 Y HA 0.119 4.669 4.550 0.000 0.000 0.290 112 Y C 1.878 177.774 175.900 -0.007 0.000 1.137 112 Y CA 1.230 59.287 58.100 -0.072 0.000 1.163 112 Y CB -0.389 38.030 38.460 -0.070 0.000 0.988 112 Y HN 0.108 nan 8.280 nan 0.000 0.518 113 L N -0.045 121.188 121.223 0.016 0.000 2.017 113 L HA -0.227 4.113 4.340 0.000 0.000 0.208 113 L C 2.269 179.087 176.870 -0.086 0.000 1.073 113 L CA 1.745 56.564 54.840 -0.034 0.000 0.745 113 L CB -0.692 41.376 42.059 0.015 0.000 0.894 113 L HN 0.277 nan 8.230 nan 0.000 0.432 114 D N -0.575 119.814 120.400 -0.018 0.000 2.081 114 D HA -0.224 4.416 4.640 0.000 0.000 0.194 114 D C 2.096 178.397 176.300 0.003 0.000 0.986 114 D CA 1.511 55.514 54.000 0.006 0.000 0.837 114 D CB -0.214 40.630 40.800 0.074 0.000 0.985 114 D HN 0.276 nan 8.370 nan 0.000 0.448 115 H N 0.126 119.113 119.070 -0.138 0.000 2.297 115 H HA -0.201 4.355 4.556 0.000 0.000 0.289 115 H C 2.212 177.473 175.328 -0.112 0.000 1.105 115 H CA 1.538 57.504 56.048 -0.137 0.000 1.219 115 H CB -0.346 29.333 29.762 -0.140 0.000 1.351 115 H HN 0.316 nan 8.280 nan 0.000 0.481 116 N N 0.862 119.494 118.700 -0.114 0.000 2.061 116 N HA -0.193 4.547 4.740 0.000 0.000 0.193 116 N C 1.848 177.314 175.510 -0.073 0.000 1.030 116 N CA 1.181 54.129 53.050 -0.171 0.000 0.856 116 N CB -0.193 38.084 38.487 -0.350 0.000 1.023 116 N HN 0.312 nan 8.380 nan 0.000 0.424 117 N N 0.500 119.150 118.700 -0.082 0.000 2.188 117 N HA -0.155 4.585 4.740 0.000 0.000 0.184 117 N C 1.690 177.153 175.510 -0.079 0.000 1.018 117 N CA 0.548 53.552 53.050 -0.077 0.000 0.858 117 N CB -0.621 37.824 38.487 -0.070 0.000 0.989 117 N HN 0.269 nan 8.380 nan 0.000 0.426 118 F N 0.541 120.360 119.950 -0.219 0.000 2.011 118 F HA -0.213 4.314 4.527 0.000 0.000 0.296 118 F C 1.833 177.478 175.800 -0.258 0.000 1.144 118 F CA 2.013 59.812 58.000 -0.336 0.000 1.185 118 F CB -1.168 37.451 39.000 -0.635 0.000 0.961 118 F HN 0.084 nan 8.300 nan 0.000 0.485 119 W N 0.597 121.570 121.300 -0.544 0.000 2.338 119 W HA -0.129 4.531 4.660 0.000 0.000 0.304 119 W C 2.779 179.034 176.519 -0.439 0.000 1.212 119 W CA 1.380 58.355 57.345 -0.617 0.000 1.264 119 W CB -0.774 28.514 29.460 -0.288 0.000 1.142 119 W HN -0.010 nan 8.180 nan 0.000 0.512 120 R N 0.254 120.707 120.500 -0.078 0.000 2.105 120 R HA -0.163 4.177 4.340 0.000 0.000 0.239 120 R C 1.762 177.968 176.300 -0.157 0.000 1.135 120 R CA 2.053 58.087 56.100 -0.110 0.000 0.967 120 R CB -0.662 29.572 30.300 -0.110 0.000 0.861 120 R HN 0.121 nan 8.270 nan 0.000 0.442 121 T N 1.139 115.564 114.554 -0.214 0.000 2.770 121 T HA -0.060 4.290 4.350 0.000 0.000 0.263 121 T C 1.804 176.362 174.700 -0.236 0.000 1.039 121 T CA 1.131 63.110 62.100 -0.202 0.000 1.142 121 T CB -0.061 68.704 68.868 -0.171 0.000 0.868 121 T HN 0.154 nan 8.240 nan 0.000 0.435 122 M N 1.434 120.829 119.600 -0.341 0.000 2.327 122 M HA -0.162 4.318 4.480 0.000 0.000 0.258 122 M C 1.062 177.241 176.300 -0.203 0.000 1.079 122 M CA 1.509 56.637 55.300 -0.287 0.000 1.056 122 M CB -0.912 31.496 32.600 -0.320 0.000 1.387 122 M HN 0.209 nan 8.290 nan 0.000 0.423 123 D N -0.627 119.670 120.400 -0.172 0.000 2.463 123 D HA -0.022 4.618 4.640 0.000 0.000 0.237 123 D C 1.514 177.744 176.300 -0.116 0.000 1.013 123 D CA 0.390 54.305 54.000 -0.142 0.000 0.910 123 D CB -0.061 40.663 40.800 -0.126 0.000 1.080 123 D HN 0.155 nan 8.370 nan 0.000 0.498 124 D N 0.494 120.829 120.400 -0.109 0.000 2.116 124 D HA -0.150 4.490 4.640 0.000 0.000 0.193 124 D C 1.906 178.180 176.300 -0.043 0.000 0.998 124 D CA 0.869 54.827 54.000 -0.071 0.000 0.836 124 D CB -0.233 40.526 40.800 -0.069 0.000 0.951 124 D HN 0.199 nan 8.370 nan 0.000 0.449 125 M N -0.165 119.377 119.600 -0.097 0.000 2.446 125 M HA -0.062 4.418 4.480 0.000 0.000 0.263 125 M C 1.784 178.048 176.300 -0.060 0.000 1.066 125 M CA 1.323 56.542 55.300 -0.135 0.000 1.087 125 M CB 0.088 32.441 32.600 -0.411 0.000 1.406 125 M HN 0.061 nan 8.290 nan 0.000 0.459 126 G N -1.532 107.226 108.800 -0.069 0.000 2.743 126 G HA2 0.002 3.962 3.960 0.000 0.000 0.206 126 G HA3 0.002 3.962 3.960 0.000 0.000 0.206 126 G C 1.314 176.190 174.900 -0.041 0.000 1.115 126 G CA -0.315 44.753 45.100 -0.053 0.000 0.782 126 G HN 0.267 nan 8.290 nan 0.000 0.524 127 R N 0.102 120.571 120.500 -0.051 0.000 2.371 127 R HA -0.055 4.285 4.340 0.000 0.000 0.226 127 R C 1.662 177.955 176.300 -0.011 0.000 1.132 127 R CA 0.987 57.057 56.100 -0.050 0.000 1.027 127 R CB 0.048 30.319 30.300 -0.048 0.000 0.848 127 R HN 0.354 nan 8.270 nan 0.000 0.479 128 E N -0.510 119.720 120.200 0.050 0.000 2.501 128 E HA 0.171 4.521 4.350 0.000 0.000 0.201 128 E C -0.659 175.986 176.600 0.076 0.000 1.016 128 E CA -0.044 56.405 56.400 0.080 0.000 0.920 128 E CB 0.625 30.427 29.700 0.170 0.000 1.023 128 E HN 0.159 nan 8.360 nan 0.000 0.474 129 I N 2.511 123.122 120.570 0.068 0.000 2.420 129 I HA 0.300 4.470 4.170 0.000 0.000 0.282 129 I C -2.364 173.749 176.117 -0.007 0.000 1.019 129 I CA -2.622 58.715 61.300 0.061 0.000 1.130 129 I CB 1.529 39.631 38.000 0.169 0.000 1.262 129 I HN -0.165 nan 8.210 nan 0.000 0.454 130 P HA 0.057 nan 4.420 nan 0.000 0.261 130 P C 0.530 177.771 177.300 -0.098 0.000 1.183 130 P CA 0.255 63.280 63.100 -0.125 0.000 0.761 130 P CB 0.784 32.374 31.700 -0.185 0.000 0.785 131 S N 2.255 117.908 115.700 -0.078 0.000 2.355 131 S HA -0.183 4.287 4.470 0.000 0.000 0.222 131 S C 1.549 176.177 174.600 0.046 0.000 1.031 131 S CA 1.261 59.498 58.200 0.062 0.000 0.993 131 S CB -0.905 62.211 63.200 -0.139 0.000 0.859 131 S HN 0.481 nan 8.310 nan 0.000 0.453 132 D N 2.114 122.429 120.400 -0.141 0.000 2.565 132 D HA -0.200 4.440 4.640 0.000 0.000 0.189 132 D C 0.393 176.478 176.300 -0.359 0.000 1.052 132 D CA 1.871 55.725 54.000 -0.242 0.000 0.889 132 D CB -0.172 40.468 40.800 -0.266 0.000 0.911 132 D HN 0.509 nan 8.370 nan 0.000 0.464 133 A N -2.090 120.379 122.820 -0.584 0.000 2.664 133 A HA 0.413 4.733 4.320 0.000 0.000 0.300 133 A C -2.211 174.538 177.584 -1.390 0.000 1.210 133 A CA -0.800 50.404 52.037 -1.388 0.000 0.863 133 A CB 0.999 19.372 19.000 -1.044 0.000 1.464 133 A HN -0.072 nan 8.150 nan 0.000 0.438 134 P HA -0.116 nan 4.420 nan 0.000 0.222 134 P C 0.879 177.960 177.300 -0.364 0.000 1.147 134 P CA 1.185 63.947 63.100 -0.564 0.000 0.790 134 P CB -0.189 31.111 31.700 -0.665 0.000 0.780 135 W N -0.916 120.312 121.300 -0.120 0.000 3.391 135 W HA 0.281 4.941 4.660 0.000 0.000 0.275 135 W C 0.863 177.343 176.519 -0.066 0.000 1.318 135 W CA -0.075 57.222 57.345 -0.081 0.000 1.665 135 W CB -0.965 28.444 29.460 -0.084 0.000 1.078 135 W HN -0.143 nan 8.180 nan 0.000 0.732 136 K N 0.654 120.979 120.400 -0.123 0.000 2.413 136 K HA 0.323 4.643 4.320 0.000 0.000 0.204 136 K C 0.525 177.077 176.600 -0.080 0.000 1.041 136 K CA -0.115 56.132 56.287 -0.066 0.000 1.082 136 K CB 0.525 32.938 32.500 -0.145 0.000 0.871 136 K HN 0.106 nan 8.250 nan 0.000 0.535 137 A N 2.197 124.964 122.820 -0.087 0.000 2.425 137 A HA 0.213 4.533 4.320 0.000 0.000 0.249 137 A C -1.657 175.818 177.584 -0.182 0.000 1.084 137 A CA -1.008 50.956 52.037 -0.121 0.000 0.781 137 A CB 0.187 19.126 19.000 -0.101 0.000 1.019 137 A HN -0.065 nan 8.150 nan 0.000 0.490 138 P HA -0.177 nan 4.420 nan 0.000 0.217 138 P C 0.557 177.662 177.300 -0.325 0.000 1.158 138 P CA 1.376 64.352 63.100 -0.207 0.000 0.887 138 P CB 0.039 31.629 31.700 -0.183 0.000 0.792 139 L N -2.161 118.700 121.223 -0.602 0.000 2.984 139 L HA 0.326 4.666 4.340 0.000 0.000 0.246 139 L C 1.885 178.337 176.870 -0.696 0.000 1.268 139 L CA -0.343 54.024 54.840 -0.789 0.000 1.054 139 L CB -0.546 40.729 42.059 -1.307 0.000 1.393 139 L HN -0.088 nan 8.230 nan 0.000 0.532 140 A N 0.673 123.288 122.820 -0.341 0.000 1.870 140 A HA -0.256 4.064 4.320 0.000 0.000 0.219 140 A C 2.159 179.729 177.584 -0.023 0.000 1.224 140 A CA 1.977 53.952 52.037 -0.103 0.000 0.650 140 A CB -0.274 18.724 19.000 -0.003 0.000 0.836 140 A HN 0.517 nan 8.150 nan 0.000 0.454 141 E N -1.090 119.086 120.200 -0.040 0.000 2.038 141 E HA -0.245 4.105 4.350 0.000 0.000 0.195 141 E C 2.167 178.794 176.600 0.045 0.000 1.000 141 E CA 1.313 57.722 56.400 0.016 0.000 0.803 141 E CB -0.281 29.413 29.700 -0.009 0.000 0.750 141 E HN 0.828 nan 8.360 nan 0.000 0.448 142 E N 0.047 120.233 120.200 -0.022 0.000 2.097 142 E HA -0.210 4.140 4.350 0.000 0.000 0.196 142 E C 1.733 178.472 176.600 0.232 0.000 1.000 142 E CA 1.242 57.673 56.400 0.051 0.000 0.804 142 E CB -0.021 29.664 29.700 -0.024 0.000 0.740 142 E HN 0.293 nan 8.360 nan 0.000 0.454 143 W N 0.867 122.207 121.300 0.068 0.000 2.518 143 W HA -0.004 4.656 4.660 0.000 0.000 0.273 143 W C 1.905 178.492 176.519 0.113 0.000 1.247 143 W CA 0.598 57.996 57.345 0.088 0.000 1.288 143 W CB -0.806 28.708 29.460 0.091 0.000 1.107 143 W HN 0.212 nan 8.180 nan 0.000 0.586 144 D N -0.337 120.266 120.400 0.337 0.000 2.234 144 D HA -0.110 4.530 4.640 0.000 0.000 0.205 144 D C 1.285 177.705 176.300 0.199 0.000 0.962 144 D CA 0.933 55.088 54.000 0.259 0.000 0.855 144 D CB -0.223 40.702 40.800 0.209 0.000 0.951 144 D HN -0.039 nan 8.370 nan 0.000 0.500 145 N N -0.157 118.643 118.700 0.166 0.000 2.370 145 N HA 0.025 4.765 4.740 0.000 0.000 0.198 145 N C 0.206 175.794 175.510 0.129 0.000 1.156 145 N CA 0.104 53.230 53.050 0.126 0.000 0.839 145 N CB 0.473 39.015 38.487 0.092 0.000 0.989 145 N HN 0.332 nan 8.380 nan 0.000 0.468 146 M N -0.152 119.545 119.600 0.163 0.000 2.578 146 M HA 0.233 4.713 4.480 0.000 0.000 0.321 146 M C -0.455 175.929 176.300 0.141 0.000 1.182 146 M CA -0.261 55.124 55.300 0.142 0.000 0.965 146 M CB 2.066 34.766 32.600 0.167 0.000 1.694 146 M HN -0.240 nan 8.290 nan 0.000 0.461 147 T N 2.419 117.038 114.554 0.108 0.000 2.895 147 T HA 0.308 4.658 4.350 0.000 0.000 0.283 147 T C 1.271 176.013 174.700 0.071 0.000 1.014 147 T CA -0.665 61.496 62.100 0.102 0.000 1.037 147 T CB 1.107 70.025 68.868 0.083 0.000 1.006 147 T HN 0.645 nan 8.240 nan 0.000 0.468 148 M N 2.324 121.955 119.600 0.053 0.000 2.144 148 M HA -0.108 4.372 4.480 0.000 0.000 0.260 148 M C 2.120 178.401 176.300 -0.031 0.000 1.067 148 M CA 1.736 57.033 55.300 -0.006 0.000 1.095 148 M CB -0.923 31.602 32.600 -0.124 0.000 1.365 148 M HN 0.642 nan 8.290 nan 0.000 0.406 149 K N 0.547 120.931 120.400 -0.027 0.000 2.063 149 K HA -0.177 4.143 4.320 0.000 0.000 0.208 149 K C 1.690 178.281 176.600 -0.015 0.000 1.048 149 K CA 1.597 57.869 56.287 -0.025 0.000 0.928 149 K CB -0.096 32.415 32.500 0.018 0.000 0.713 149 K HN 0.365 nan 8.250 nan 0.000 0.442 150 E N 0.359 120.564 120.200 0.009 0.000 2.058 150 E HA -0.207 4.143 4.350 0.000 0.000 0.194 150 E C 2.002 178.604 176.600 0.002 0.000 0.997 150 E CA 1.231 57.636 56.400 0.008 0.000 0.801 150 E CB -0.149 29.570 29.700 0.031 0.000 0.746 150 E HN 0.250 nan 8.360 nan 0.000 0.450 151 L N 1.217 122.447 121.223 0.012 0.000 2.017 151 L HA -0.162 4.178 4.340 0.000 0.000 0.208 151 L C 2.097 178.973 176.870 0.010 0.000 1.073 151 L CA 1.535 56.382 54.840 0.012 0.000 0.745 151 L CB -0.662 41.403 42.059 0.010 0.000 0.894 151 L HN 0.118 nan 8.230 nan 0.000 0.432 152 L N -0.797 120.421 121.223 -0.009 0.000 2.012 152 L HA -0.231 4.109 4.340 0.000 0.000 0.210 152 L C 2.365 179.192 176.870 -0.072 0.000 1.073 152 L CA 1.493 56.301 54.840 -0.052 0.000 0.748 152 L CB -1.052 40.926 42.059 -0.135 0.000 0.891 152 L HN 0.257 nan 8.230 nan 0.000 0.431 153 D N 0.329 120.686 120.400 -0.071 0.000 2.133 153 D HA -0.229 4.411 4.640 0.000 0.000 0.195 153 D C 2.166 178.408 176.300 -0.096 0.000 0.997 153 D CA 1.445 55.392 54.000 -0.089 0.000 0.840 153 D CB -0.006 40.751 40.800 -0.071 0.000 0.947 153 D HN 0.244 nan 8.370 nan 0.000 0.452 154 K N -0.213 120.157 120.400 -0.049 0.000 2.365 154 K HA 0.042 4.362 4.320 0.000 0.000 0.197 154 K C 1.710 178.321 176.600 0.018 0.000 1.042 154 K CA 0.065 56.332 56.287 -0.033 0.000 0.987 154 K CB 0.387 32.893 32.500 0.009 0.000 0.779 154 K HN 0.089 nan 8.250 nan 0.000 0.484 155 L N 0.303 121.552 121.223 0.043 0.000 2.556 155 L HA 0.170 4.511 4.340 0.000 0.000 0.226 155 L C -0.302 176.682 176.870 0.191 0.000 1.089 155 L CA 0.355 55.271 54.840 0.126 0.000 0.864 155 L CB 0.763 42.893 42.059 0.118 0.000 1.067 155 L HN 0.096 nan 8.230 nan 0.000 0.477 156 C N -0.415 118.941 119.300 0.093 0.000 2.293 156 C HA 0.248 4.708 4.460 0.000 0.000 0.323 156 C C 0.599 175.666 174.990 0.129 0.000 1.240 156 C CA -0.813 58.249 59.018 0.074 0.000 1.497 156 C CB 0.013 27.676 27.740 -0.128 0.000 2.171 156 C HN 0.478 nan 8.230 nan 0.000 0.465 157 W N 2.182 123.445 121.300 -0.060 0.000 3.290 157 W HA 0.204 4.864 4.660 0.000 0.000 0.287 157 W C 0.790 177.290 176.519 -0.031 0.000 1.288 157 W CA -0.005 57.318 57.345 -0.036 0.000 1.725 157 W CB -0.048 29.402 29.460 -0.016 0.000 1.103 157 W HN 0.473 nan 8.180 nan 0.000 0.670 158 T N -0.149 114.479 114.554 0.123 0.000 2.921 158 T HA 0.115 4.465 4.350 0.000 0.000 0.297 158 T C 0.877 175.580 174.700 0.004 0.000 1.013 158 T CA -0.690 61.457 62.100 0.079 0.000 0.990 158 T CB 2.757 71.695 68.868 0.117 0.000 1.023 158 T HN -0.194 nan 8.240 nan 0.000 0.447 159 E N 1.465 121.670 120.200 0.010 0.000 2.049 159 E HA -0.159 4.191 4.350 0.000 0.000 0.198 159 E C 2.209 178.808 176.600 -0.002 0.000 1.007 159 E CA 1.355 57.748 56.400 -0.012 0.000 0.809 159 E CB -0.256 29.448 29.700 0.008 0.000 0.749 159 E HN 0.554 nan 8.360 nan 0.000 0.450 160 S N 0.336 116.085 115.700 0.081 0.000 2.390 160 S HA -0.303 4.167 4.470 0.000 0.000 0.234 160 S C 1.970 176.577 174.600 0.011 0.000 1.063 160 S CA 1.870 60.165 58.200 0.157 0.000 1.108 160 S CB -0.240 63.155 63.200 0.326 0.000 0.975 160 S HN 0.472 nan 8.310 nan 0.000 0.442 161 A N 0.585 123.307 122.820 -0.164 0.000 1.854 161 A HA -0.034 4.286 4.320 0.000 0.000 0.214 161 A C 2.013 179.288 177.584 -0.515 0.000 1.192 161 A CA 1.677 53.359 52.037 -0.591 0.000 0.611 161 A CB -0.605 18.020 19.000 -0.625 0.000 0.832 161 A HN 0.502 nan 8.150 nan 0.000 0.442 162 K N -0.580 119.615 120.400 -0.340 0.000 2.089 162 K HA -0.277 4.043 4.320 0.000 0.000 0.210 162 K C 2.299 178.736 176.600 -0.271 0.000 1.048 162 K CA 2.078 58.173 56.287 -0.321 0.000 0.926 162 K CB -0.173 32.211 32.500 -0.193 0.000 0.714 162 K HN 0.648 nan 8.250 nan 0.000 0.448 163 Q N 0.019 119.717 119.800 -0.170 0.000 2.016 163 Q HA -0.158 4.182 4.340 0.000 0.000 0.200 163 Q C 2.064 178.016 176.000 -0.080 0.000 0.978 163 Q CA 1.233 56.984 55.803 -0.086 0.000 0.833 163 Q CB -0.145 28.587 28.738 -0.010 0.000 0.895 163 Q HN 0.191 nan 8.270 nan 0.000 0.427 164 L N 0.740 121.907 121.223 -0.095 0.000 2.043 164 L HA -0.205 4.135 4.340 0.000 0.000 0.212 164 L C 2.094 178.899 176.870 -0.109 0.000 1.075 164 L CA 2.311 57.133 54.840 -0.031 0.000 0.752 164 L CB -1.166 40.876 42.059 -0.029 0.000 0.891 164 L HN 0.201 nan 8.230 nan 0.000 0.432 165 A N -1.823 120.736 122.820 -0.434 0.000 1.858 165 A HA -0.216 4.104 4.320 0.000 0.000 0.216 165 A C 2.222 179.727 177.584 -0.131 0.000 1.190 165 A CA 2.337 54.073 52.037 -0.501 0.000 0.617 165 A CB -1.241 17.025 19.000 -1.224 0.000 0.827 165 A HN 0.493 nan 8.150 nan 0.000 0.443 166 T N 0.301 114.743 114.554 -0.185 0.000 2.620 166 T HA -0.269 4.081 4.350 0.000 0.000 0.267 166 T C 1.849 176.518 174.700 -0.051 0.000 1.044 166 T CA 1.887 63.914 62.100 -0.121 0.000 1.161 166 T CB -0.577 68.229 68.868 -0.104 0.000 0.862 166 T HN 0.400 nan 8.240 nan 0.000 0.438 167 L N 0.240 121.476 121.223 0.022 0.000 2.017 167 L HA -0.048 4.292 4.340 0.000 0.000 0.208 167 L C 2.176 179.123 176.870 0.129 0.000 1.073 167 L CA 1.536 56.422 54.840 0.078 0.000 0.745 167 L CB -0.535 41.606 42.059 0.137 0.000 0.894 167 L HN 0.241 nan 8.230 nan 0.000 0.432 168 F N -0.744 119.254 119.950 0.080 0.000 2.271 168 F HA -0.227 4.300 4.527 0.000 0.000 0.302 168 F C 1.682 177.580 175.800 0.163 0.000 1.063 168 F CA 1.776 59.891 58.000 0.191 0.000 1.362 168 F CB -0.396 38.832 39.000 0.380 0.000 1.060 168 F HN -0.030 nan 8.300 nan 0.000 0.521 169 V N -0.281 119.530 119.914 -0.171 0.000 2.599 169 V HA -0.124 3.996 4.120 0.000 0.000 0.237 169 V C 2.037 177.957 176.094 -0.290 0.000 1.081 169 V CA 1.202 63.243 62.300 -0.430 0.000 1.107 169 V CB -0.662 30.831 31.823 -0.550 0.000 0.808 169 V HN 0.134 nan 8.190 nan 0.000 0.486 170 N N 0.773 119.349 118.700 -0.206 0.000 2.111 170 N HA -0.242 4.498 4.740 0.000 0.000 0.197 170 N C 1.669 177.086 175.510 -0.154 0.000 1.011 170 N CA 1.745 54.696 53.050 -0.164 0.000 0.880 170 N CB -0.497 37.936 38.487 -0.089 0.000 1.031 170 N HN 0.370 nan 8.380 nan 0.000 0.444 171 L N -0.491 120.665 121.223 -0.110 0.000 2.023 171 L HA -0.128 4.212 4.340 0.000 0.000 0.205 171 L C 2.000 178.844 176.870 -0.044 0.000 1.073 171 L CA 1.185 55.984 54.840 -0.068 0.000 0.745 171 L CB -0.282 41.750 42.059 -0.045 0.000 0.900 171 L HN 0.270 nan 8.230 nan 0.000 0.435 172 C N -0.896 118.349 119.300 -0.092 0.000 2.496 172 C HA -0.037 4.423 4.460 0.000 0.000 0.281 172 C C 1.842 176.924 174.990 0.154 0.000 1.250 172 C CA -0.222 58.840 59.018 0.073 0.000 1.717 172 C CB -0.290 27.430 27.740 -0.034 0.000 2.082 172 C HN 0.219 nan 8.230 nan 0.000 0.472 173 V N -0.158 119.770 119.914 0.023 0.000 3.653 173 V HA 0.181 4.301 4.120 0.000 0.000 0.282 173 V C 0.956 176.908 176.094 -0.238 0.000 0.993 173 V CA 0.582 62.855 62.300 -0.046 0.000 0.986 173 V CB 0.866 32.749 31.823 0.099 0.000 1.249 173 V HN 0.380 nan 8.190 nan 0.000 0.423 174 T N 0.609 115.002 114.554 -0.267 0.000 3.380 174 T HA 0.645 4.995 4.350 0.000 0.000 0.289 174 T C -0.122 174.401 174.700 -0.296 0.000 1.012 174 T CA 0.565 62.436 62.100 -0.382 0.000 0.944 174 T CB -0.013 68.554 68.868 -0.502 0.000 1.172 174 T HN 0.828 nan 8.240 nan 0.000 0.502 175 A N 0.568 123.188 122.820 -0.334 0.000 2.681 175 A HA 0.869 5.189 4.320 0.000 0.000 0.278 175 A C -1.001 176.376 177.584 -0.345 0.000 1.272 175 A CA -0.760 51.047 52.037 -0.384 0.000 0.750 175 A CB 0.947 19.525 19.000 -0.704 0.000 1.351 175 A HN 0.198 nan 8.150 nan 0.000 0.514 176 E N 0.664 120.622 120.200 -0.405 0.000 2.277 176 E HA 0.291 4.641 4.350 0.000 0.000 0.274 176 E C 0.989 177.310 176.600 -0.464 0.000 1.022 176 E CA 0.444 56.553 56.400 -0.484 0.000 0.853 176 E CB 1.022 30.202 29.700 -0.868 0.000 1.086 176 E HN 0.732 nan 8.360 nan 0.000 0.397 177 T N -1.196 113.135 114.554 -0.372 0.000 2.822 177 T HA -0.234 4.116 4.350 0.000 0.000 0.270 177 T C 1.387 175.989 174.700 -0.164 0.000 1.064 177 T CA 1.813 63.758 62.100 -0.259 0.000 1.131 177 T CB -0.423 68.332 68.868 -0.187 0.000 0.858 177 T HN 0.652 nan 8.240 nan 0.000 0.483 178 H N 0.403 119.417 119.070 -0.092 0.000 2.548 178 H HA 0.295 4.851 4.556 0.000 0.000 0.265 178 H C 1.258 176.559 175.328 -0.044 0.000 0.969 178 H CA 0.419 56.431 56.048 -0.058 0.000 1.155 178 H CB -0.116 29.614 29.762 -0.053 0.000 1.394 178 H HN 0.464 nan 8.280 nan 0.000 0.570 179 E N 1.151 121.299 120.200 -0.086 0.000 2.489 179 E HA 0.163 4.513 4.350 0.000 0.000 0.193 179 E C -0.278 176.339 176.600 0.028 0.000 1.057 179 E CA -0.122 56.274 56.400 -0.006 0.000 0.866 179 E CB 1.043 30.621 29.700 -0.204 0.000 0.916 179 E HN 0.119 nan 8.360 nan 0.000 0.500 180 V N 0.521 120.454 119.914 0.030 0.000 2.876 180 V HA 0.164 4.284 4.120 0.000 0.000 0.312 180 V C -0.424 175.813 176.094 0.238 0.000 1.085 180 V CA -0.924 61.460 62.300 0.140 0.000 0.945 180 V CB 2.197 34.069 31.823 0.083 0.000 1.017 180 V HN 0.039 nan 8.190 nan 0.000 0.428 181 S N 3.249 119.164 115.700 0.359 0.000 2.528 181 S HA 0.455 4.925 4.470 0.000 0.000 0.277 181 S C 1.260 176.097 174.600 0.396 0.000 1.297 181 S CA 0.254 58.665 58.200 0.352 0.000 1.052 181 S CB 1.459 64.887 63.200 0.380 0.000 0.917 181 S HN 1.150 nan 8.310 nan 0.000 0.492 182 A N 5.049 128.039 122.820 0.283 0.000 1.851 182 A HA -0.082 4.238 4.320 0.000 0.000 0.216 182 A C 2.070 179.831 177.584 0.295 0.000 1.195 182 A CA 1.871 54.052 52.037 0.239 0.000 0.622 182 A CB -1.255 17.824 19.000 0.131 0.000 0.831 182 A HN 1.085 nan 8.150 nan 0.000 0.444 183 L N -1.469 119.960 121.223 0.343 0.000 2.021 183 L HA -0.219 4.121 4.340 0.000 0.000 0.215 183 L C 2.188 179.295 176.870 0.395 0.000 1.074 183 L CA 2.764 57.838 54.840 0.391 0.000 0.760 183 L CB -0.715 41.587 42.059 0.405 0.000 0.889 183 L HN 0.683 nan 8.230 nan 0.000 0.433 184 W N -0.337 121.109 121.300 0.244 0.000 2.348 184 W HA -0.271 4.389 4.660 0.000 0.000 0.324 184 W C 2.486 179.237 176.519 0.386 0.000 1.209 184 W CA 1.997 59.497 57.345 0.259 0.000 1.275 184 W CB -1.142 28.465 29.460 0.244 0.000 1.175 184 W HN 0.269 nan 8.180 nan 0.000 0.461 185 F N 1.042 121.096 119.950 0.174 0.000 2.141 185 F HA -0.338 4.189 4.527 0.000 0.000 0.300 185 F C 2.119 177.854 175.800 -0.109 0.000 1.079 185 F CA 2.411 60.292 58.000 -0.198 0.000 1.264 185 F CB -0.835 38.184 39.000 0.032 0.000 1.011 185 F HN -0.043 nan 8.300 nan 0.000 0.487 186 L N -1.512 119.723 121.223 0.020 0.000 1.976 186 L HA -0.244 4.096 4.340 0.000 0.000 0.209 186 L C 2.360 179.136 176.870 -0.158 0.000 1.071 186 L CA 1.887 56.663 54.840 -0.107 0.000 0.746 186 L CB -1.162 40.863 42.059 -0.056 0.000 0.890 186 L HN 0.447 nan 8.230 nan 0.000 0.432 187 W N 0.097 121.264 121.300 -0.223 0.000 2.304 187 W HA -0.366 4.294 4.660 0.000 0.000 0.315 187 W C 2.633 178.933 176.519 -0.365 0.000 1.233 187 W CA 2.100 59.296 57.345 -0.249 0.000 1.261 187 W CB -0.722 28.630 29.460 -0.180 0.000 1.150 187 W HN 0.154 nan 8.180 nan 0.000 0.494 188 Y N 0.439 120.338 120.300 -0.668 0.000 2.097 188 Y HA -0.309 4.241 4.550 0.000 0.000 0.282 188 Y C 2.503 177.873 175.900 -0.883 0.000 1.152 188 Y CA 3.040 60.541 58.100 -0.997 0.000 1.136 188 Y CB -1.075 36.789 38.460 -0.993 0.000 0.975 188 Y HN -0.143 nan 8.280 nan 0.000 0.498 189 V N 1.275 120.775 119.914 -0.689 0.000 2.252 189 V HA -0.397 3.723 4.120 0.000 0.000 0.249 189 V C 2.377 178.104 176.094 -0.612 0.000 1.056 189 V CA 2.677 64.628 62.300 -0.581 0.000 1.022 189 V CB -0.980 30.600 31.823 -0.404 0.000 0.641 189 V HN 0.522 nan 8.190 nan 0.000 0.445 190 K N 1.480 121.552 120.400 -0.547 0.000 2.097 190 K HA -0.287 4.033 4.320 0.000 0.000 0.206 190 K C 2.064 178.267 176.600 -0.662 0.000 1.049 190 K CA 2.054 58.045 56.287 -0.494 0.000 0.933 190 K CB -0.472 31.814 32.500 -0.357 0.000 0.717 190 K HN 0.640 nan 8.250 nan 0.000 0.442 191 Q N 0.113 119.375 119.800 -0.897 0.000 2.439 191 Q HA -0.093 4.247 4.340 0.000 0.000 0.211 191 Q C 1.202 176.586 176.000 -1.025 0.000 0.978 191 Q CA 1.559 56.768 55.803 -0.990 0.000 0.897 191 Q CB -0.386 27.521 28.738 -1.384 0.000 0.956 191 Q HN 0.433 nan 8.270 nan 0.000 0.483 192 C N -0.575 118.049 119.300 -1.127 0.000 2.791 192 C HA 0.640 5.100 4.460 0.000 0.000 0.270 192 C C 1.476 175.866 174.990 -1.000 0.000 1.257 192 C CA -0.177 57.929 59.018 -1.520 0.000 1.699 192 C CB -0.630 25.908 27.740 -2.004 0.000 1.904 192 C HN 0.776 nan 8.230 nan 0.000 0.603 193 G N 0.251 108.657 108.800 -0.657 0.000 2.135 193 G HA2 0.382 4.342 3.960 0.000 0.000 0.183 193 G HA3 0.382 4.342 3.960 0.000 0.000 0.183 193 G C 0.433 175.149 174.900 -0.308 0.000 1.004 193 G CA -0.040 44.822 45.100 -0.398 0.000 0.677 193 G HN 1.722 nan 8.290 nan 0.000 0.512 194 G N -1.928 106.663 108.800 -0.347 0.000 2.795 194 G HA2 0.186 4.146 3.960 0.000 0.000 0.664 194 G HA3 0.186 4.146 3.960 0.000 0.000 0.664 194 G C 1.052 175.849 174.900 -0.172 0.000 1.381 194 G CA 0.569 45.526 45.100 -0.238 0.000 0.853 194 G HN 1.551 nan 8.290 nan 0.000 0.545 195 T N -0.081 114.394 114.554 -0.133 0.000 2.493 195 T HA -0.276 4.074 4.350 0.000 0.000 0.256 195 T C 2.450 177.029 174.700 -0.201 0.000 1.195 195 T CA 3.117 65.117 62.100 -0.166 0.000 1.183 195 T CB -1.227 67.537 68.868 -0.174 0.000 0.863 195 T HN 1.077 nan 8.240 nan 0.000 0.418 196 T N 1.256 115.718 114.554 -0.153 0.000 2.597 196 T HA -0.214 4.136 4.350 0.000 0.000 0.267 196 T C 2.144 176.780 174.700 -0.107 0.000 1.053 196 T CA 2.073 64.095 62.100 -0.130 0.000 1.165 196 T CB -0.405 68.443 68.868 -0.034 0.000 0.863 196 T HN 0.316 nan 8.240 nan 0.000 0.427 197 R N 0.768 121.224 120.500 -0.072 0.000 2.113 197 R HA -0.013 4.327 4.340 0.000 0.000 0.244 197 R C 2.302 178.628 176.300 0.044 0.000 1.142 197 R CA 1.608 57.702 56.100 -0.009 0.000 0.953 197 R CB -0.964 29.327 30.300 -0.015 0.000 0.860 197 R HN 0.477 nan 8.270 nan 0.000 0.438 198 I N -0.258 120.313 120.570 0.002 0.000 2.202 198 I HA -0.222 3.948 4.170 0.000 0.000 0.242 198 I C 1.889 178.064 176.117 0.097 0.000 1.091 198 I CA 1.443 62.801 61.300 0.097 0.000 1.368 198 I CB -0.054 37.974 38.000 0.046 0.000 1.058 198 I HN 0.246 nan 8.210 nan 0.000 0.410 199 I N -0.241 120.315 120.570 -0.023 0.000 2.546 199 I HA -0.127 4.043 4.170 0.000 0.000 0.255 199 I C 1.079 177.123 176.117 -0.122 0.000 1.163 199 I CA 0.213 61.458 61.300 -0.092 0.000 1.457 199 I CB -0.291 37.514 38.000 -0.326 0.000 1.092 199 I HN 0.048 nan 8.210 nan 0.000 0.434 200 S N 0.818 116.442 115.700 -0.127 0.000 2.537 200 S HA -0.004 4.466 4.470 0.000 0.000 0.286 200 S C 1.220 175.792 174.600 -0.047 0.000 1.299 200 S CA -0.005 58.134 58.200 -0.102 0.000 1.067 200 S CB 1.515 64.668 63.200 -0.077 0.000 0.864 200 S HN 0.207 nan 8.310 nan 0.000 0.494 201 T N 3.348 117.873 114.554 -0.048 0.000 2.706 201 T HA -0.062 4.288 4.350 0.000 0.000 0.255 201 T C 2.115 176.784 174.700 -0.052 0.000 1.048 201 T CA 1.446 63.514 62.100 -0.052 0.000 1.153 201 T CB -0.277 68.558 68.868 -0.055 0.000 0.865 201 T HN 0.636 nan 8.240 nan 0.000 0.414 202 T N 1.813 116.339 114.554 -0.046 0.000 2.612 202 T HA -0.065 4.285 4.350 0.000 0.000 0.259 202 T C 1.552 176.232 174.700 -0.034 0.000 1.065 202 T CA 1.163 63.240 62.100 -0.038 0.000 1.167 202 T CB -0.445 68.406 68.868 -0.029 0.000 0.863 202 T HN 0.188 nan 8.240 nan 0.000 0.407 203 N N 1.092 119.776 118.700 -0.027 0.000 2.410 203 N HA 0.260 5.000 4.740 0.000 0.000 0.231 203 N C 0.158 175.659 175.510 -0.014 0.000 1.172 203 N CA 0.127 53.165 53.050 -0.020 0.000 0.849 203 N CB -0.187 38.294 38.487 -0.010 0.000 1.116 203 N HN 0.487 nan 8.380 nan 0.000 0.485 204 G N -2.104 106.684 108.800 -0.019 0.000 2.818 204 G HA2 0.232 4.192 3.960 0.000 0.000 0.109 204 G HA3 0.232 4.192 3.960 0.000 0.000 0.109 204 G C 0.908 175.801 174.900 -0.012 0.000 1.206 204 G CA 0.016 45.121 45.100 0.008 0.000 1.243 204 G HN 0.133 nan 8.290 nan 0.000 0.609 205 G N 0.221 109.056 108.800 0.058 0.000 2.719 205 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 205 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 205 G C 1.183 176.068 174.900 -0.025 0.000 1.234 205 G CA 1.844 46.976 45.100 0.054 0.000 0.788 205 G HN 0.532 nan 8.290 nan 0.000 0.619 206 Q N 0.258 120.037 119.800 -0.036 0.000 2.296 206 Q HA 0.344 4.684 4.340 0.000 0.000 0.273 206 Q C 1.537 177.495 176.000 -0.072 0.000 0.900 206 Q CA 0.051 55.797 55.803 -0.095 0.000 0.993 206 Q CB 0.748 29.304 28.738 -0.304 0.000 1.132 206 Q HN 0.760 nan 8.270 nan 0.000 0.439 207 E N 1.048 121.203 120.200 -0.076 0.000 2.031 207 E HA -0.114 4.236 4.350 0.000 0.000 0.193 207 E C -0.132 176.395 176.600 -0.122 0.000 0.994 207 E CA 0.899 57.246 56.400 -0.090 0.000 0.800 207 E CB 0.428 30.070 29.700 -0.098 0.000 0.752 207 E HN 0.263 nan 8.360 nan 0.000 0.447 208 R N -0.051 120.345 120.500 -0.172 0.000 2.744 208 R HA 0.455 4.795 4.340 0.000 0.000 0.279 208 R C -0.689 175.360 176.300 -0.418 0.000 0.977 208 R CA -0.871 55.034 56.100 -0.324 0.000 0.906 208 R CB 1.763 31.857 30.300 -0.343 0.000 1.197 208 R HN -0.149 nan 8.270 nan 0.000 0.463 209 K N 1.321 121.326 120.400 -0.659 0.000 2.106 209 K HA 0.384 4.705 4.320 0.000 0.000 0.246 209 K C -0.491 175.841 176.600 -0.446 0.000 0.987 209 K CA -0.540 55.412 56.287 -0.559 0.000 0.904 209 K CB 0.904 33.111 32.500 -0.489 0.000 1.071 209 K HN 0.267 nan 8.250 nan 0.000 0.453 210 F N 0.428 120.352 119.950 -0.043 0.000 2.370 210 F HA 0.139 4.666 4.527 0.000 0.000 0.324 210 F C 0.639 176.559 175.800 0.200 0.000 1.116 210 F CA -0.877 57.155 58.000 0.052 0.000 1.123 210 F CB 0.789 39.784 39.000 -0.007 0.000 1.238 210 F HN 0.035 nan 8.300 nan 0.000 0.536 211 V N 1.863 121.997 119.914 0.368 0.000 2.715 211 V HA 0.317 4.437 4.120 0.000 0.000 0.299 211 V C 0.964 177.005 176.094 -0.088 0.000 1.054 211 V CA 0.757 63.169 62.300 0.187 0.000 1.077 211 V CB 0.383 32.262 31.823 0.094 0.000 0.972 211 V HN 1.053 nan 8.190 nan 0.000 0.484 212 G N 2.875 111.330 108.800 -0.576 0.000 2.328 212 G HA2 0.038 3.998 3.960 0.000 0.000 0.256 212 G HA3 0.038 3.998 3.960 0.000 0.000 0.256 212 G C 0.817 175.302 174.900 -0.692 0.000 1.014 212 G CA 0.082 44.478 45.100 -1.173 0.000 0.620 212 G HN 2.448 nan 8.290 nan 0.000 0.530 213 G N -1.917 106.770 108.800 -0.188 0.000 2.535 213 G HA2 0.473 4.433 3.960 0.000 0.000 0.662 213 G HA3 0.473 4.433 3.960 0.000 0.000 0.662 213 G C 0.654 175.547 174.900 -0.012 0.000 1.417 213 G CA 0.820 45.914 45.100 -0.011 0.000 0.866 213 G HN 1.736 nan 8.290 nan 0.000 0.647 214 S N 0.345 116.078 115.700 0.054 0.000 2.423 214 S HA 0.062 4.532 4.470 0.000 0.000 0.231 214 S C 2.653 177.206 174.600 -0.078 0.000 1.014 214 S CA 1.887 60.071 58.200 -0.027 0.000 0.965 214 S CB -0.363 62.893 63.200 0.094 0.000 0.785 214 S HN 2.143 nan 8.310 nan 0.000 0.495 215 G N 1.740 110.535 108.800 -0.008 0.000 2.556 215 G HA2 -0.340 3.620 3.960 0.000 0.000 0.220 215 G HA3 -0.340 3.620 3.960 0.000 0.000 0.220 215 G C 1.409 176.282 174.900 -0.046 0.000 1.156 215 G CA 1.234 46.342 45.100 0.014 0.000 0.766 215 G HN 0.597 nan 8.290 nan 0.000 0.583 216 Q N -0.419 119.323 119.800 -0.096 0.000 2.082 216 Q HA -0.198 4.142 4.340 0.000 0.000 0.211 216 Q C 2.825 178.741 176.000 -0.141 0.000 1.002 216 Q CA 1.993 57.721 55.803 -0.125 0.000 0.868 216 Q CB -0.524 28.114 28.738 -0.167 0.000 0.931 216 Q HN 0.378 nan 8.270 nan 0.000 0.414 217 V N 0.784 120.572 119.914 -0.210 0.000 2.233 217 V HA -0.367 3.753 4.120 0.000 0.000 0.252 217 V C 2.420 178.444 176.094 -0.116 0.000 1.063 217 V CA 2.346 64.520 62.300 -0.210 0.000 1.032 217 V CB -0.911 30.768 31.823 -0.240 0.000 0.645 217 V HN 0.606 nan 8.190 nan 0.000 0.446 218 S N -0.166 115.489 115.700 -0.074 0.000 2.414 218 S HA -0.152 4.318 4.470 0.000 0.000 0.227 218 S C 1.737 176.314 174.600 -0.038 0.000 1.022 218 S CA 1.102 59.276 58.200 -0.043 0.000 0.958 218 S CB -0.492 62.702 63.200 -0.011 0.000 0.797 218 S HN 0.791 nan 8.310 nan 0.000 0.493 219 E N 2.143 122.323 120.200 -0.033 0.000 2.070 219 E HA -0.202 4.148 4.350 0.000 0.000 0.197 219 E C 2.312 178.885 176.600 -0.044 0.000 1.004 219 E CA 1.152 57.535 56.400 -0.028 0.000 0.805 219 E CB -0.425 29.262 29.700 -0.021 0.000 0.744 219 E HN 0.527 nan 8.360 nan 0.000 0.451 220 R N 0.524 120.988 120.500 -0.060 0.000 2.096 220 R HA -0.035 4.305 4.340 0.000 0.000 0.235 220 R C 2.514 178.776 176.300 -0.062 0.000 1.127 220 R CA 1.056 57.119 56.100 -0.062 0.000 0.968 220 R CB -0.297 29.958 30.300 -0.074 0.000 0.861 220 R HN 0.288 nan 8.270 nan 0.000 0.440 221 I N 0.724 121.254 120.570 -0.067 0.000 2.394 221 I HA -0.253 3.917 4.170 0.000 0.000 0.251 221 I C 2.632 178.701 176.117 -0.079 0.000 1.136 221 I CA 1.035 62.290 61.300 -0.074 0.000 1.425 221 I CB -0.282 37.676 38.000 -0.069 0.000 1.079 221 I HN 0.229 nan 8.210 nan 0.000 0.425 222 M N 0.829 120.392 119.600 -0.060 0.000 2.229 222 M HA -0.209 4.271 4.480 0.000 0.000 0.264 222 M C 1.563 177.830 176.300 -0.056 0.000 1.063 222 M CA 1.805 57.072 55.300 -0.055 0.000 1.114 222 M CB -0.143 32.435 32.600 -0.035 0.000 1.387 222 M HN 0.146 nan 8.290 nan 0.000 0.420 223 D N 0.743 121.112 120.400 -0.052 0.000 2.084 223 D HA -0.129 4.511 4.640 0.000 0.000 0.196 223 D C 2.071 178.339 176.300 -0.054 0.000 0.985 223 D CA 1.306 55.280 54.000 -0.044 0.000 0.826 223 D CB -0.450 40.328 40.800 -0.037 0.000 0.978 223 D HN 0.413 nan 8.370 nan 0.000 0.456 224 L N 0.582 121.763 121.223 -0.070 0.000 2.187 224 L HA -0.086 4.254 4.340 0.000 0.000 0.213 224 L C 1.235 178.020 176.870 -0.142 0.000 1.100 224 L CA 0.575 55.364 54.840 -0.086 0.000 0.765 224 L CB -0.275 41.722 42.059 -0.102 0.000 0.904 224 L HN 0.002 nan 8.230 nan 0.000 0.437 225 L N -1.088 120.044 121.223 -0.153 0.000 2.399 225 L HA 0.262 4.602 4.340 0.000 0.000 0.266 225 L C 1.210 178.033 176.870 -0.078 0.000 1.114 225 L CA -0.330 54.404 54.840 -0.177 0.000 0.804 225 L CB 1.170 43.136 42.059 -0.156 0.000 1.146 225 L HN -0.025 nan 8.230 nan 0.000 0.451 226 G N -0.035 108.741 108.800 -0.041 0.000 2.679 226 G HA2 -0.051 3.909 3.960 0.000 0.000 0.202 226 G HA3 -0.051 3.909 3.960 0.000 0.000 0.202 226 G C 0.438 175.337 174.900 -0.003 0.000 1.566 226 G CA -0.099 45.000 45.100 -0.003 0.000 1.074 226 G HN 0.691 nan 8.290 nan 0.000 0.564 227 D N -0.084 120.323 120.400 0.013 0.000 2.350 227 D HA -0.048 4.592 4.640 0.000 0.000 0.216 227 D C 2.505 178.817 176.300 0.019 0.000 0.968 227 D CA 0.193 54.203 54.000 0.017 0.000 0.894 227 D CB -0.083 40.734 40.800 0.029 0.000 0.909 227 D HN 0.309 nan 8.370 nan 0.000 0.520 228 R N 0.030 120.541 120.500 0.018 0.000 2.276 228 R HA -0.083 4.257 4.340 0.000 0.000 0.243 228 R C 0.549 176.845 176.300 -0.007 0.000 1.161 228 R CA 0.382 56.494 56.100 0.020 0.000 1.007 228 R CB -0.117 30.193 30.300 0.018 0.000 0.867 228 R HN 0.021 nan 8.270 nan 0.000 0.472 229 V N 3.071 122.974 119.914 -0.018 0.000 2.368 229 V HA 0.082 4.202 4.120 0.000 0.000 0.266 229 V C -0.129 175.951 176.094 -0.024 0.000 1.045 229 V CA -0.357 61.923 62.300 -0.033 0.000 0.899 229 V CB 1.269 33.070 31.823 -0.035 0.000 1.006 229 V HN 0.071 nan 8.190 nan 0.000 0.470 230 K N 7.072 127.449 120.400 -0.038 0.000 2.292 230 K HA 0.502 4.822 4.320 0.000 0.000 0.270 230 K C -0.384 176.191 176.600 -0.042 0.000 1.062 230 K CA -0.353 55.920 56.287 -0.023 0.000 0.916 230 K CB 1.695 34.191 32.500 -0.007 0.000 1.166 230 K HN 0.459 nan 8.250 nan 0.000 0.458 231 L N 1.065 122.269 121.223 -0.031 0.000 2.470 231 L HA 0.043 4.383 4.340 0.000 0.000 0.243 231 L C 0.892 177.735 176.870 -0.046 0.000 1.227 231 L CA -0.209 54.605 54.840 -0.043 0.000 0.824 231 L CB -0.162 41.878 42.059 -0.030 0.000 1.175 231 L HN 0.658 nan 8.230 nan 0.000 0.503 232 E N -0.022 120.140 120.200 -0.064 0.000 2.294 232 E HA -0.217 4.133 4.350 0.000 0.000 0.228 232 E C -0.612 175.946 176.600 -0.069 0.000 1.253 232 E CA 0.373 56.733 56.400 -0.066 0.000 0.716 232 E CB -0.411 29.270 29.700 -0.032 0.000 1.184 232 E HN 0.262 nan 8.360 nan 0.000 0.374 233 R N -0.494 119.946 120.500 -0.100 0.000 3.026 233 R HA 0.232 4.572 4.340 0.000 0.000 0.317 233 R C -2.668 173.558 176.300 -0.123 0.000 1.278 233 R CA -2.424 53.625 56.100 -0.086 0.000 1.407 233 R CB 0.197 30.443 30.300 -0.090 0.000 1.368 233 R HN 0.050 nan 8.270 nan 0.000 0.612 234 P HA -0.079 nan 4.420 nan 0.000 0.255 234 P C 0.172 177.436 177.300 -0.060 0.000 1.173 234 P CA 0.287 63.293 63.100 -0.158 0.000 0.780 234 P CB 0.428 32.066 31.700 -0.104 0.000 0.758 235 V N 5.887 125.770 119.914 -0.053 0.000 2.655 235 V HA 0.016 4.136 4.120 0.000 0.000 0.300 235 V C 1.663 177.768 176.094 0.019 0.000 1.044 235 V CA 0.860 63.146 62.300 -0.022 0.000 1.095 235 V CB 0.562 32.365 31.823 -0.034 0.000 0.952 235 V HN 0.605 nan 8.190 nan 0.000 0.485 236 I N 3.975 124.567 120.570 0.037 0.000 4.471 236 I HA 0.256 4.426 4.170 0.000 0.000 0.326 236 I C -0.529 175.666 176.117 0.130 0.000 1.300 236 I CA 0.123 61.471 61.300 0.081 0.000 1.237 236 I CB 0.838 38.869 38.000 0.052 0.000 1.195 236 I HN 0.678 nan 8.210 nan 0.000 0.427 237 Y N 1.195 121.435 120.300 -0.100 0.000 2.376 237 Y HA 0.519 5.069 4.550 -0.000 0.000 0.321 237 Y C -1.837 173.971 175.900 -0.153 0.000 1.189 237 Y CA -0.911 57.112 58.100 -0.128 0.000 1.069 237 Y CB 1.150 39.568 38.460 -0.069 0.000 1.292 237 Y HN -0.166 nan 8.280 nan 0.000 0.430 238 I N 5.817 125.896 120.570 -0.819 0.000 2.498 238 I HA 0.316 4.486 4.170 0.000 0.000 0.290 238 I C -1.505 174.236 176.117 -0.626 0.000 1.032 238 I CA -0.692 60.253 61.300 -0.591 0.000 1.073 238 I CB 1.927 39.662 38.000 -0.442 0.000 1.251 238 I HN 0.599 nan 8.210 nan 0.000 0.426 239 D N 5.918 126.083 120.400 -0.391 0.000 2.505 239 D HA 0.250 4.890 4.640 0.000 0.000 0.250 239 D C -0.112 176.139 176.300 -0.083 0.000 1.164 239 D CA -0.219 53.634 54.000 -0.246 0.000 0.870 239 D CB 1.603 42.305 40.800 -0.162 0.000 1.160 239 D HN 0.476 nan 8.370 nan 0.000 0.549 240 Q N 1.821 121.598 119.800 -0.038 0.000 2.282 240 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 240 Q C 1.301 177.300 176.000 -0.002 0.000 0.878 240 Q CA 0.023 55.819 55.803 -0.012 0.000 0.944 240 Q CB 0.657 29.400 28.738 0.009 0.000 1.100 240 Q HN 0.496 nan 8.270 nan 0.000 0.509 241 T N 1.410 115.968 114.554 0.006 0.000 2.592 241 T HA -0.225 4.125 4.350 0.000 0.000 0.267 241 T C 1.330 176.038 174.700 0.012 0.000 1.060 241 T CA 1.621 63.732 62.100 0.018 0.000 1.167 241 T CB 0.057 68.945 68.868 0.033 0.000 0.863 241 T HN 0.280 nan 8.240 nan 0.000 0.431 242 R N -0.113 120.393 120.500 0.009 0.000 2.221 242 R HA 0.353 4.693 4.340 0.000 0.000 0.157 242 R C 2.234 178.529 176.300 -0.007 0.000 0.876 242 R CA -0.086 56.017 56.100 0.005 0.000 1.500 242 R CB 0.083 30.388 30.300 0.008 0.000 1.353 242 R HN 0.208 nan 8.270 nan 0.000 0.598 243 E N 0.155 120.347 120.200 -0.013 0.000 2.110 243 E HA 0.102 4.452 4.350 0.000 0.000 0.194 243 E C -0.196 176.375 176.600 -0.048 0.000 0.944 243 E CA -0.072 56.311 56.400 -0.029 0.000 0.899 243 E CB 0.202 29.887 29.700 -0.025 0.000 0.907 243 E HN 0.246 nan 8.360 nan 0.000 0.473 244 N N 1.142 119.819 118.700 -0.038 0.000 2.441 244 N HA 0.031 4.771 4.740 0.000 0.000 0.251 244 N C -0.620 174.869 175.510 -0.034 0.000 1.242 244 N CA 0.114 53.136 53.050 -0.046 0.000 0.898 244 N CB 1.039 39.512 38.487 -0.024 0.000 1.100 244 N HN -0.112 nan 8.380 nan 0.000 0.443 245 V N 2.255 122.144 119.914 -0.041 0.000 2.644 245 V HA 0.408 4.528 4.120 0.000 0.000 0.295 245 V C 0.521 176.616 176.094 0.001 0.000 1.053 245 V CA -0.708 61.576 62.300 -0.026 0.000 0.987 245 V CB 0.965 32.768 31.823 -0.032 0.000 1.006 245 V HN 0.335 nan 8.190 nan 0.000 0.472 246 L N 3.958 125.183 121.223 0.003 0.000 2.346 246 L HA 0.780 5.120 4.340 0.000 0.000 0.274 246 L C -0.640 176.239 176.870 0.017 0.000 1.007 246 L CA -0.743 54.122 54.840 0.041 0.000 0.818 246 L CB 1.847 43.950 42.059 0.074 0.000 1.284 246 L HN 0.349 nan 8.230 nan 0.000 0.424 247 V N 1.275 121.233 119.914 0.073 0.000 2.960 247 V HA 0.559 4.679 4.120 0.000 0.000 0.315 247 V C -0.658 175.528 176.094 0.152 0.000 1.087 247 V CA -0.592 61.737 62.300 0.047 0.000 0.982 247 V CB 2.439 34.276 31.823 0.023 0.000 1.039 247 V HN 0.868 nan 8.190 nan 0.000 0.437 248 E N 0.575 120.864 120.200 0.150 0.000 2.343 248 E HA 0.545 4.895 4.350 0.000 0.000 0.278 248 E C -1.427 175.238 176.600 0.110 0.000 0.910 248 E CA -0.470 56.040 56.400 0.183 0.000 0.757 248 E CB 2.355 32.196 29.700 0.234 0.000 1.218 248 E HN 0.677 nan 8.360 nan 0.000 0.435 249 T N 3.793 118.406 114.554 0.098 0.000 2.902 249 T HA 0.165 4.515 4.350 0.000 0.000 0.283 249 T C 1.063 175.721 174.700 -0.070 0.000 1.009 249 T CA -0.531 61.586 62.100 0.029 0.000 1.051 249 T CB 1.151 70.067 68.868 0.080 0.000 0.999 249 T HN 0.578 nan 8.240 nan 0.000 0.474 250 L N 3.078 124.243 121.223 -0.096 0.000 2.189 250 L HA -0.132 4.208 4.340 0.000 0.000 0.214 250 L C 2.292 178.965 176.870 -0.328 0.000 1.097 250 L CA 1.540 56.267 54.840 -0.188 0.000 0.764 250 L CB -0.396 41.612 42.059 -0.085 0.000 0.900 250 L HN 0.556 nan 8.230 nan 0.000 0.436 251 N N -0.265 118.337 118.700 -0.163 0.000 2.192 251 N HA -0.254 4.486 4.740 0.000 0.000 0.188 251 N C 0.011 175.494 175.510 -0.046 0.000 1.013 251 N CA 1.361 54.362 53.050 -0.081 0.000 0.863 251 N CB -0.034 38.461 38.487 0.014 0.000 0.990 251 N HN 0.526 nan 8.380 nan 0.000 0.430 252 H N -1.139 117.946 119.070 0.026 0.000 3.165 252 H HA -0.099 4.457 4.556 0.000 0.000 0.318 252 H C -0.831 174.501 175.328 0.007 0.000 1.349 252 H CA 0.910 56.962 56.048 0.006 0.000 1.246 252 H CB -1.822 27.935 29.762 -0.009 0.000 1.389 252 H HN 0.620 nan 8.280 nan 0.000 0.443 253 E N -0.006 120.258 120.200 0.106 0.000 2.408 253 E HA 0.766 5.116 4.350 0.000 0.000 0.275 253 E C -0.396 176.230 176.600 0.043 0.000 0.935 253 E CA -1.223 55.196 56.400 0.032 0.000 0.775 253 E CB 2.304 31.989 29.700 -0.025 0.000 1.277 253 E HN 0.011 nan 8.360 nan 0.000 0.455 254 M N 1.574 121.122 119.600 -0.085 0.000 2.393 254 M HA 0.439 4.919 4.480 0.000 0.000 0.316 254 M C -1.565 174.636 176.300 -0.165 0.000 1.087 254 M CA -0.766 54.537 55.300 0.006 0.000 0.937 254 M CB 1.240 33.852 32.600 0.020 0.000 1.668 254 M HN 0.594 nan 8.290 nan 0.000 0.438 255 Y N 0.527 120.841 120.300 0.022 0.000 2.446 255 Y HA 0.517 5.067 4.550 0.000 0.000 0.345 255 Y C -0.044 175.863 175.900 0.012 0.000 0.984 255 Y CA -0.946 57.163 58.100 0.015 0.000 1.058 255 Y CB 1.608 40.075 38.460 0.012 0.000 1.220 255 Y HN 0.593 nan 8.280 nan 0.000 0.455 256 E N 1.438 121.723 120.200 0.141 0.000 2.256 256 E HA 0.945 5.295 4.350 0.000 0.000 0.267 256 E C -1.129 175.510 176.600 0.066 0.000 0.892 256 E CA -1.358 55.092 56.400 0.082 0.000 0.775 256 E CB 2.694 32.418 29.700 0.040 0.000 1.207 256 E HN 0.642 nan 8.360 nan 0.000 0.420 257 A N 1.329 124.167 122.820 0.031 0.000 2.593 257 A HA 0.493 4.813 4.320 0.000 0.000 0.304 257 A C -0.944 176.603 177.584 -0.062 0.000 1.233 257 A CA -0.929 51.117 52.037 0.015 0.000 0.661 257 A CB 1.123 20.153 19.000 0.051 0.000 1.338 257 A HN 0.574 nan 8.150 nan 0.000 0.495 258 K N -0.729 119.603 120.400 -0.113 0.000 2.455 258 K HA 0.508 4.828 4.320 0.000 0.000 0.206 258 K C -1.555 174.492 176.600 -0.922 0.000 1.027 258 K CA 0.254 56.287 56.287 -0.424 0.000 1.113 258 K CB 0.330 32.588 32.500 -0.403 0.000 0.850 258 K HN 0.474 nan 8.250 nan 0.000 0.503 259 Y N -1.435 118.898 120.300 0.055 0.000 2.717 259 Y HA 0.241 4.791 4.550 0.000 0.000 0.345 259 Y C -1.224 174.710 175.900 0.055 0.000 1.187 259 Y CA -1.357 56.794 58.100 0.086 0.000 1.128 259 Y CB 1.570 40.071 38.460 0.068 0.000 1.360 259 Y HN -0.347 nan 8.280 nan 0.000 0.467 260 V N 3.473 123.533 119.914 0.244 0.000 2.733 260 V HA 0.484 4.604 4.120 0.000 0.000 0.306 260 V C -0.755 175.392 176.094 0.089 0.000 1.084 260 V CA -0.709 61.656 62.300 0.109 0.000 0.905 260 V CB 2.148 33.999 31.823 0.046 0.000 1.010 260 V HN 0.549 nan 8.190 nan 0.000 0.424 261 I N 3.409 124.007 120.570 0.048 0.000 2.392 261 I HA 0.514 4.684 4.170 0.000 0.000 0.295 261 I C 0.215 176.334 176.117 0.003 0.000 0.985 261 I CA -0.080 61.232 61.300 0.019 0.000 1.221 261 I CB 2.016 40.031 38.000 0.024 0.000 1.366 261 I HN 0.682 nan 8.210 nan 0.000 0.467 262 S N 4.785 120.478 115.700 -0.012 0.000 2.473 262 S HA 0.716 5.186 4.470 0.000 0.000 0.307 262 S C 0.036 174.746 174.600 0.183 0.000 1.094 262 S CA -0.281 57.971 58.200 0.088 0.000 1.070 262 S CB 1.772 65.051 63.200 0.133 0.000 1.019 262 S HN 0.733 nan 8.310 nan 0.000 0.480 263 A N 4.880 127.795 122.820 0.159 0.000 2.585 263 A HA 0.416 4.736 4.320 0.000 0.000 0.266 263 A C 0.468 178.148 177.584 0.161 0.000 1.178 263 A CA -0.398 51.735 52.037 0.160 0.000 0.966 263 A CB -0.136 18.932 19.000 0.113 0.000 1.170 263 A HN 0.817 nan 8.150 nan 0.000 0.558 264 I N 2.136 122.810 120.570 0.172 0.000 2.845 264 I HA 0.012 4.182 4.170 0.000 0.000 0.296 264 I C -2.079 174.139 176.117 0.169 0.000 1.216 264 I CA -0.932 60.471 61.300 0.172 0.000 1.438 264 I CB 0.563 38.677 38.000 0.191 0.000 1.342 264 I HN 0.112 nan 8.210 nan 0.000 0.577 265 P HA 0.041 nan 4.420 nan 0.000 0.266 265 P C -2.047 175.310 177.300 0.094 0.000 1.195 265 P CA -0.900 62.278 63.100 0.130 0.000 0.768 265 P CB 0.012 31.782 31.700 0.116 0.000 0.838 266 P HA -0.240 nan 4.420 nan 0.000 0.214 266 P C 1.384 178.665 177.300 -0.033 0.000 1.172 266 P CA 2.123 65.220 63.100 -0.004 0.000 0.925 266 P CB -0.618 31.054 31.700 -0.047 0.000 0.793 267 T N -0.210 114.300 114.554 -0.073 0.000 2.718 267 T HA -0.201 4.149 4.350 0.000 0.000 0.266 267 T C 1.536 176.223 174.700 -0.020 0.000 1.033 267 T CA 1.187 63.236 62.100 -0.086 0.000 1.151 267 T CB -1.009 67.802 68.868 -0.096 0.000 0.853 267 T HN 0.108 nan 8.240 nan 0.000 0.466 268 L N 0.640 121.882 121.223 0.033 0.000 2.610 268 L HA 0.106 4.446 4.340 0.000 0.000 0.232 268 L C 2.707 179.651 176.870 0.124 0.000 1.149 268 L CA 0.193 55.079 54.840 0.076 0.000 0.872 268 L CB -0.672 41.455 42.059 0.113 0.000 0.992 268 L HN 0.333 nan 8.230 nan 0.000 0.447 269 G N 0.194 109.071 108.800 0.128 0.000 2.440 269 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 269 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 269 G C 1.553 176.590 174.900 0.227 0.000 1.154 269 G CA 0.388 45.622 45.100 0.224 0.000 0.767 269 G HN 0.170 nan 8.290 nan 0.000 0.552 270 M N 0.203 119.862 119.600 0.097 0.000 2.331 270 M HA -0.078 4.402 4.480 0.000 0.000 0.260 270 M C 2.052 178.388 176.300 0.061 0.000 1.072 270 M CA 0.974 56.305 55.300 0.052 0.000 1.065 270 M CB -0.583 32.008 32.600 -0.016 0.000 1.392 270 M HN 0.068 nan 8.290 nan 0.000 0.427 271 K N 0.479 120.940 120.400 0.101 0.000 2.439 271 K HA 0.198 4.518 4.320 0.000 0.000 0.197 271 K C 0.566 177.244 176.600 0.130 0.000 1.041 271 K CA 0.392 56.742 56.287 0.106 0.000 0.970 271 K CB -0.135 32.451 32.500 0.143 0.000 0.773 271 K HN 0.357 nan 8.250 nan 0.000 0.479 272 I N 0.533 121.169 120.570 0.109 0.000 2.603 272 I HA 0.133 4.303 4.170 0.000 0.000 0.300 272 I C -0.082 176.012 176.117 -0.038 0.000 1.017 272 I CA -0.823 60.483 61.300 0.010 0.000 1.098 272 I CB 1.866 39.739 38.000 -0.212 0.000 1.279 272 I HN 0.014 nan 8.210 nan 0.000 0.437 273 H N 5.674 124.696 119.070 -0.080 0.000 2.652 273 H HA 0.279 4.835 4.556 0.000 0.000 0.298 273 H C -1.084 174.118 175.328 -0.209 0.000 1.076 273 H CA -0.265 55.796 56.048 0.021 0.000 1.360 273 H CB 0.652 30.526 29.762 0.188 0.000 1.421 273 H HN 0.233 nan 8.280 nan 0.000 0.464 274 F N 2.421 122.404 119.950 0.055 0.000 2.394 274 F HA 0.150 4.677 4.527 -0.000 0.000 0.340 274 F C 0.812 176.605 175.800 -0.011 0.000 1.105 274 F CA -0.608 57.371 58.000 -0.036 0.000 1.124 274 F CB 0.955 39.941 39.000 -0.023 0.000 1.145 274 F HN 0.516 nan 8.300 nan 0.000 0.505 275 N N 3.791 122.518 118.700 0.046 0.000 2.397 275 N HA 0.457 5.197 4.740 0.000 0.000 0.291 275 N C -3.207 172.329 175.510 0.043 0.000 1.065 275 N CA -2.258 50.840 53.050 0.079 0.000 0.884 275 N CB 2.386 40.943 38.487 0.117 0.000 1.551 275 N HN 0.048 nan 8.380 nan 0.000 0.487 276 P HA 0.332 nan 4.420 nan 0.000 0.282 276 P C -2.639 174.724 177.300 0.104 0.000 1.286 276 P CA -0.960 62.185 63.100 0.076 0.000 0.777 276 P CB -0.671 31.059 31.700 0.051 0.000 1.184 277 P HA 0.112 nan 4.420 nan 0.000 0.269 277 P C -0.250 177.062 177.300 0.020 0.000 1.209 277 P CA 0.247 63.391 63.100 0.073 0.000 0.776 277 P CB 0.130 31.855 31.700 0.043 0.000 0.876 278 L N 4.338 125.531 121.223 -0.050 0.000 2.467 278 L HA 0.191 4.531 4.340 0.000 0.000 0.270 278 L C -1.676 175.148 176.870 -0.078 0.000 1.205 278 L CA -1.597 53.160 54.840 -0.137 0.000 0.828 278 L CB -0.816 41.072 42.059 -0.285 0.000 1.101 278 L HN 0.307 nan 8.230 nan 0.000 0.479 279 P HA -0.080 nan 4.420 nan 0.000 0.270 279 P C 0.681 177.954 177.300 -0.046 0.000 1.221 279 P CA -0.160 62.914 63.100 -0.044 0.000 0.788 279 P CB 0.418 32.093 31.700 -0.042 0.000 0.904 280 M N 1.482 121.065 119.600 -0.028 0.000 2.255 280 M HA -0.252 4.228 4.480 0.000 0.000 0.260 280 M C 1.458 177.757 176.300 -0.001 0.000 1.069 280 M CA 2.436 57.727 55.300 -0.015 0.000 1.089 280 M CB -0.575 32.022 32.600 -0.005 0.000 1.269 280 M HN 0.132 nan 8.290 nan 0.000 0.434 281 M N -0.077 119.534 119.600 0.018 0.000 2.151 281 M HA -0.269 4.211 4.480 0.000 0.000 0.256 281 M C 2.286 178.605 176.300 0.032 0.000 1.072 281 M CA 2.400 57.756 55.300 0.092 0.000 1.090 281 M CB -1.837 30.782 32.600 0.033 0.000 1.294 281 M HN 0.441 nan 8.290 nan 0.000 0.415 282 R N 0.541 121.006 120.500 -0.058 0.000 2.083 282 R HA -0.194 4.146 4.340 0.000 0.000 0.237 282 R C 2.011 178.207 176.300 -0.174 0.000 1.137 282 R CA 2.124 58.140 56.100 -0.139 0.000 0.951 282 R CB -0.509 29.686 30.300 -0.176 0.000 0.851 282 R HN 0.459 nan 8.270 nan 0.000 0.434 283 N N 0.155 118.767 118.700 -0.147 0.000 2.091 283 N HA -0.246 4.494 4.740 0.000 0.000 0.193 283 N C 1.560 176.973 175.510 -0.162 0.000 1.021 283 N CA 2.128 55.090 53.050 -0.147 0.000 0.862 283 N CB -0.080 38.349 38.487 -0.098 0.000 1.018 283 N HN 0.460 nan 8.380 nan 0.000 0.429 284 Q N -1.262 118.438 119.800 -0.166 0.000 2.212 284 Q HA -0.013 4.327 4.340 0.000 0.000 0.199 284 Q C 1.980 177.684 176.000 -0.493 0.000 0.950 284 Q CA 0.627 56.270 55.803 -0.266 0.000 0.863 284 Q CB -0.064 28.563 28.738 -0.186 0.000 0.944 284 Q HN 0.507 nan 8.270 nan 0.000 0.465 285 M N 0.925 120.228 119.600 -0.495 0.000 2.086 285 M HA -0.168 4.312 4.480 0.000 0.000 0.261 285 M C 1.778 177.825 176.300 -0.421 0.000 1.067 285 M CA 1.559 56.517 55.300 -0.569 0.000 1.116 285 M CB -0.377 32.042 32.600 -0.302 0.000 1.348 285 M HN 0.236 nan 8.290 nan 0.000 0.407 286 I N 0.017 120.402 120.570 -0.308 0.000 2.848 286 I HA -0.284 3.886 4.170 0.000 0.000 0.271 286 I C 1.452 177.418 176.117 -0.252 0.000 1.248 286 I CA 1.330 62.484 61.300 -0.244 0.000 1.442 286 I CB -0.571 37.315 38.000 -0.190 0.000 1.110 286 I HN 0.404 nan 8.210 nan 0.000 0.479 287 T N -0.694 113.673 114.554 -0.311 0.000 3.091 287 T HA 0.253 4.603 4.350 0.000 0.000 0.277 287 T C 1.163 175.678 174.700 -0.308 0.000 0.996 287 T CA -0.053 61.886 62.100 -0.269 0.000 0.897 287 T CB 0.051 68.779 68.868 -0.234 0.000 1.109 287 T HN 0.246 nan 8.240 nan 0.000 0.534 288 R N 0.444 120.702 120.500 -0.402 0.000 2.566 288 R HA 0.265 4.605 4.340 0.000 0.000 0.388 288 R C -0.527 175.444 176.300 -0.549 0.000 0.989 288 R CA 0.028 55.874 56.100 -0.424 0.000 1.164 288 R CB 1.551 31.570 30.300 -0.469 0.000 1.459 288 R HN 0.236 nan 8.270 nan 0.000 0.553 289 V N -0.868 118.705 119.914 -0.568 0.000 2.465 289 V HA 0.514 4.634 4.120 0.000 0.000 0.263 289 V C -2.701 173.058 176.094 -0.559 0.000 0.981 289 V CA -1.993 59.857 62.300 -0.751 0.000 0.838 289 V CB 1.083 32.409 31.823 -0.828 0.000 1.068 289 V HN -0.089 nan 8.190 nan 0.000 0.458 290 P HA 0.597 nan 4.420 nan 0.000 0.317 290 P C -0.492 176.585 177.300 -0.372 0.000 1.307 290 P CA -0.661 62.173 63.100 -0.444 0.000 0.749 290 P CB 2.025 33.442 31.700 -0.471 0.000 1.377 291 L N -1.679 119.453 121.223 -0.152 0.000 2.271 291 L HA 0.612 4.952 4.340 0.000 0.000 0.265 291 L C 1.268 178.240 176.870 0.170 0.000 1.013 291 L CA -1.062 53.791 54.840 0.021 0.000 0.820 291 L CB 1.171 43.257 42.059 0.045 0.000 1.352 291 L HN 0.433 nan 8.230 nan 0.000 0.443 292 G N -0.223 108.668 108.800 0.151 0.000 2.621 292 G HA2 0.451 4.411 3.960 0.000 0.000 0.271 292 G HA3 0.451 4.411 3.960 0.000 0.000 0.271 292 G C -0.798 174.117 174.900 0.025 0.000 1.236 292 G CA -0.223 44.914 45.100 0.062 0.000 0.958 292 G HN 0.468 nan 8.290 nan 0.000 0.512 293 S N -1.590 114.092 115.700 -0.031 0.000 2.557 293 S HA 0.665 5.135 4.470 0.000 0.000 0.291 293 S C -0.995 173.587 174.600 -0.030 0.000 1.116 293 S CA -0.463 57.743 58.200 0.009 0.000 0.992 293 S CB 2.008 65.225 63.200 0.029 0.000 1.028 293 S HN 0.600 nan 8.310 nan 0.000 0.484 294 V N 3.422 123.367 119.914 0.051 0.000 3.023 294 V HA 0.465 4.585 4.120 0.000 0.000 0.294 294 V C -1.569 174.666 176.094 0.234 0.000 1.324 294 V CA -0.520 61.831 62.300 0.085 0.000 0.979 294 V CB 2.143 33.969 31.823 0.005 0.000 1.093 294 V HN 0.873 nan 8.190 nan 0.000 0.434 295 I N 3.816 124.535 120.570 0.248 0.000 2.389 295 I HA 0.467 4.637 4.170 0.000 0.000 0.288 295 I C -0.061 176.277 176.117 0.367 0.000 0.999 295 I CA -0.449 61.024 61.300 0.289 0.000 1.129 295 I CB 1.681 39.800 38.000 0.199 0.000 1.288 295 I HN 0.485 nan 8.210 nan 0.000 0.444 296 K N 5.632 126.290 120.400 0.429 0.000 2.205 296 K HA 0.581 4.901 4.320 0.000 0.000 0.279 296 K C -1.449 175.275 176.600 0.207 0.000 1.027 296 K CA -0.300 56.230 56.287 0.406 0.000 0.932 296 K CB 0.889 33.668 32.500 0.466 0.000 1.032 296 K HN 0.642 nan 8.250 nan 0.000 0.466 297 C N 4.594 123.971 119.300 0.129 0.000 2.547 297 C HA 0.580 5.040 4.460 0.000 0.000 0.313 297 C C -1.046 173.940 174.990 -0.006 0.000 1.191 297 C CA -1.018 58.056 59.018 0.092 0.000 1.474 297 C CB 0.360 28.257 27.740 0.261 0.000 2.081 297 C HN 0.733 nan 8.230 nan 0.000 0.476 298 I N 2.886 123.382 120.570 -0.124 0.000 2.468 298 I HA 0.418 4.588 4.170 0.000 0.000 0.284 298 I C -0.326 175.619 176.117 -0.287 0.000 1.038 298 I CA -0.033 61.095 61.300 -0.286 0.000 1.083 298 I CB 1.553 39.300 38.000 -0.422 0.000 1.223 298 I HN 0.359 nan 8.210 nan 0.000 0.443 299 V N 6.818 126.590 119.914 -0.236 0.000 2.427 299 V HA 0.397 4.517 4.120 0.000 0.000 0.286 299 V C -0.739 175.067 176.094 -0.479 0.000 1.034 299 V CA -0.679 61.484 62.300 -0.229 0.000 0.893 299 V CB 1.295 33.044 31.823 -0.123 0.000 0.982 299 V HN 0.433 nan 8.190 nan 0.000 0.452 300 Y N 3.961 124.152 120.300 -0.181 0.000 2.341 300 Y HA 0.594 5.144 4.550 0.000 0.000 0.337 300 Y C -0.281 175.526 175.900 -0.155 0.000 1.014 300 Y CA -0.344 57.721 58.100 -0.058 0.000 1.111 300 Y CB 1.481 39.997 38.460 0.094 0.000 1.194 300 Y HN 0.527 nan 8.280 nan 0.000 0.462 301 Y N 0.994 121.534 120.300 0.400 0.000 2.587 301 Y HA 0.260 4.810 4.550 0.000 0.000 0.337 301 Y C 1.259 177.292 175.900 0.222 0.000 1.065 301 Y CA -1.195 57.108 58.100 0.339 0.000 1.126 301 Y CB 1.802 40.546 38.460 0.475 0.000 1.279 301 Y HN 0.545 nan 8.280 nan 0.000 0.489 302 K N 0.543 121.163 120.400 0.366 0.000 2.001 302 K HA -0.187 4.133 4.320 0.000 0.000 0.214 302 K C -0.594 176.065 176.600 0.097 0.000 1.050 302 K CA 2.062 58.453 56.287 0.173 0.000 0.934 302 K CB 0.120 32.697 32.500 0.129 0.000 0.718 302 K HN 0.766 nan 8.250 nan 0.000 0.443 303 E N -1.263 118.988 120.200 0.085 0.000 2.423 303 E HA 0.264 4.614 4.350 0.000 0.000 0.269 303 E C -2.613 173.854 176.600 -0.221 0.000 0.948 303 E CA -2.352 54.021 56.400 -0.044 0.000 0.802 303 E CB 1.046 30.692 29.700 -0.090 0.000 1.339 303 E HN -0.127 nan 8.360 nan 0.000 0.445 304 P HA 0.024 nan 4.420 nan 0.000 0.238 304 P C -0.089 176.175 177.300 -1.727 0.000 1.729 304 P CA -0.069 62.219 63.100 -1.353 0.000 1.055 304 P CB -0.848 30.345 31.700 -0.845 0.000 1.980 305 F N 0.065 119.298 119.950 -1.196 0.000 2.154 305 F HA -0.198 4.329 4.527 0.000 0.000 0.301 305 F C 1.775 177.333 175.800 -0.404 0.000 1.087 305 F CA 0.225 57.880 58.000 -0.576 0.000 1.274 305 F CB -1.918 36.927 39.000 -0.259 0.000 1.009 305 F HN 0.154 nan 8.300 nan 0.000 0.485 306 W N 1.237 122.312 121.300 -0.375 0.000 2.308 306 W HA -0.156 4.505 4.660 0.000 0.000 0.301 306 W C 2.152 178.649 176.519 -0.037 0.000 1.220 306 W CA 1.205 58.507 57.345 -0.070 0.000 1.240 306 W CB -1.201 28.186 29.460 -0.121 0.000 1.142 306 W HN -0.112 nan 8.180 nan 0.000 0.521 307 R N 1.403 121.695 120.500 -0.346 0.000 2.091 307 R HA -0.136 4.204 4.340 0.000 0.000 0.238 307 R C 2.156 178.388 176.300 -0.112 0.000 1.136 307 R CA 2.140 58.151 56.100 -0.148 0.000 0.959 307 R CB -0.618 29.550 30.300 -0.221 0.000 0.856 307 R HN 0.246 nan 8.270 nan 0.000 0.437 308 K N 0.910 121.231 120.400 -0.131 0.000 2.160 308 K HA -0.155 4.165 4.320 0.000 0.000 0.206 308 K C 1.234 177.769 176.600 -0.109 0.000 1.047 308 K CA 1.189 57.419 56.287 -0.095 0.000 0.930 308 K CB -0.105 32.350 32.500 -0.074 0.000 0.720 308 K HN 0.246 nan 8.250 nan 0.000 0.450 309 K N 1.336 121.653 120.400 -0.138 0.000 2.546 309 K HA -0.045 4.275 4.320 0.000 0.000 0.198 309 K C -0.347 175.957 176.600 -0.494 0.000 1.028 309 K CA 0.137 56.229 56.287 -0.326 0.000 1.150 309 K CB -0.057 32.190 32.500 -0.422 0.000 0.876 309 K HN 0.075 nan 8.250 nan 0.000 0.508 310 D N 0.502 120.764 120.400 -0.230 0.000 2.751 310 D HA -0.226 4.414 4.640 0.000 0.000 0.233 310 D C -1.394 174.888 176.300 -0.030 0.000 1.149 310 D CA 1.029 54.954 54.000 -0.125 0.000 0.682 310 D CB -1.368 39.375 40.800 -0.095 0.000 1.068 310 D HN 0.387 nan 8.370 nan 0.000 0.429 311 Y N -0.439 119.917 120.300 0.094 0.000 2.350 311 Y HA 0.419 4.969 4.550 0.000 0.000 0.338 311 Y C 1.174 177.174 175.900 0.166 0.000 0.961 311 Y CA -1.560 56.597 58.100 0.096 0.000 1.100 311 Y CB 1.168 39.703 38.460 0.126 0.000 1.179 311 Y HN 0.219 nan 8.280 nan 0.000 0.454 312 C N -0.053 119.394 119.300 0.246 0.000 2.520 312 C HA 0.612 5.072 4.460 0.000 0.000 0.376 312 C C 1.476 176.477 174.990 0.020 0.000 1.268 312 C CA -0.508 58.647 59.018 0.229 0.000 2.414 312 C CB 0.366 28.158 27.740 0.086 0.000 2.521 312 C HN 1.130 nan 8.230 nan 0.000 0.618 313 G N 1.613 110.271 108.800 -0.236 0.000 3.397 313 G HA2 0.349 4.309 3.960 0.000 0.000 0.248 313 G HA3 0.349 4.309 3.960 0.000 0.000 0.248 313 G C 0.279 174.903 174.900 -0.461 0.000 1.284 313 G CA 0.012 44.705 45.100 -0.679 0.000 1.570 313 G HN 0.843 nan 8.290 nan 0.000 0.587 314 T N 1.979 116.345 114.554 -0.314 0.000 2.747 314 T HA 0.413 4.763 4.350 0.000 0.000 0.301 314 T C 0.310 174.857 174.700 -0.255 0.000 0.952 314 T CA 0.077 61.977 62.100 -0.333 0.000 0.983 314 T CB 0.668 69.376 68.868 -0.267 0.000 0.930 314 T HN 0.143 nan 8.240 nan 0.000 0.494 315 M N 4.359 123.804 119.600 -0.258 0.000 2.149 315 M HA 0.477 4.957 4.480 0.000 0.000 0.342 315 M C -0.393 175.947 176.300 0.066 0.000 1.068 315 M CA -0.545 54.716 55.300 -0.064 0.000 0.991 315 M CB 1.583 34.162 32.600 -0.034 0.000 1.596 315 M HN 0.366 nan 8.290 nan 0.000 0.439 316 I N 5.157 125.876 120.570 0.248 0.000 2.304 316 I HA 0.399 4.569 4.170 0.000 0.000 0.291 316 I C -0.564 175.791 176.117 0.397 0.000 1.018 316 I CA -0.336 61.197 61.300 0.390 0.000 1.260 316 I CB 0.679 38.919 38.000 0.400 0.000 1.390 316 I HN 0.632 nan 8.210 nan 0.000 0.475 317 I N 5.399 126.171 120.570 0.337 0.000 2.410 317 I HA 0.277 4.447 4.170 0.000 0.000 0.286 317 I C -0.394 175.867 176.117 0.240 0.000 1.009 317 I CA -0.598 60.881 61.300 0.299 0.000 1.111 317 I CB 1.726 39.873 38.000 0.245 0.000 1.262 317 I HN 0.454 nan 8.210 nan 0.000 0.443 318 D N 4.532 125.055 120.400 0.204 0.000 2.264 318 D HA 0.642 5.282 4.640 0.000 0.000 0.249 318 D C 0.240 176.591 176.300 0.085 0.000 1.070 318 D CA 0.733 54.816 54.000 0.138 0.000 0.912 318 D CB 2.026 42.893 40.800 0.111 0.000 1.193 318 D HN 0.843 nan 8.370 nan 0.000 0.427 319 G N 2.366 111.212 108.800 0.077 0.000 2.440 319 G HA2 -0.132 3.828 3.960 0.000 0.000 0.684 319 G HA3 -0.132 3.828 3.960 0.000 0.000 0.684 319 G C 0.399 175.341 174.900 0.070 0.000 1.309 319 G CA -0.488 44.647 45.100 0.058 0.000 0.931 319 G HN 0.397 nan 8.290 nan 0.000 0.612 320 E N -0.162 120.078 120.200 0.067 0.000 2.127 320 E HA 0.024 4.374 4.350 0.000 0.000 0.191 320 E C 2.177 178.818 176.600 0.069 0.000 0.964 320 E CA 0.850 57.303 56.400 0.088 0.000 0.832 320 E CB -0.014 29.740 29.700 0.089 0.000 0.790 320 E HN 0.673 nan 8.360 nan 0.000 0.465 321 E N 0.542 120.774 120.200 0.054 0.000 2.492 321 E HA -0.104 4.246 4.350 0.000 0.000 0.204 321 E C -0.057 176.564 176.600 0.036 0.000 1.073 321 E CA 0.310 56.736 56.400 0.043 0.000 0.887 321 E CB 0.037 29.761 29.700 0.039 0.000 0.813 321 E HN 0.058 nan 8.360 nan 0.000 0.562 322 A N 0.692 123.537 122.820 0.041 0.000 2.271 322 A HA 0.349 4.670 4.320 0.000 0.000 0.317 322 A C -1.987 175.601 177.584 0.007 0.000 1.245 322 A CA -1.469 50.585 52.037 0.029 0.000 0.857 322 A CB 0.711 19.750 19.000 0.065 0.000 1.175 322 A HN -0.105 nan 8.150 nan 0.000 0.512 323 P HA 0.045 nan 4.420 nan 0.000 0.225 323 P C -0.152 177.152 177.300 0.007 0.000 1.156 323 P CA 0.776 63.863 63.100 -0.021 0.000 0.787 323 P CB 0.242 31.915 31.700 -0.045 0.000 0.802 324 V N -0.844 119.081 119.914 0.019 0.000 2.808 324 V HA 0.546 4.666 4.120 0.000 0.000 0.308 324 V C 0.404 176.577 176.094 0.132 0.000 1.099 324 V CA -0.406 61.946 62.300 0.088 0.000 0.920 324 V CB 1.910 33.778 31.823 0.076 0.000 1.014 324 V HN -0.097 nan 8.190 nan 0.000 0.425 325 A N 3.872 126.814 122.820 0.203 0.000 2.382 325 A HA 0.491 4.811 4.320 0.000 0.000 0.228 325 A C -0.215 177.588 177.584 0.365 0.000 1.217 325 A CA 0.320 52.502 52.037 0.242 0.000 0.923 325 A CB 0.320 19.444 19.000 0.207 0.000 0.979 325 A HN 0.809 nan 8.150 nan 0.000 0.515 326 Y N -1.151 119.255 120.300 0.178 0.000 2.479 326 Y HA 0.567 5.117 4.550 0.000 0.000 0.338 326 Y C -0.976 174.969 175.900 0.074 0.000 1.055 326 Y CA -0.589 57.603 58.100 0.154 0.000 1.023 326 Y CB 1.787 40.379 38.460 0.220 0.000 1.287 326 Y HN -0.095 nan 8.280 nan 0.000 0.447 327 T N 6.808 121.092 114.554 -0.451 0.000 2.971 327 T HA 0.626 4.976 4.350 0.000 0.000 0.304 327 T C -1.628 172.716 174.700 -0.593 0.000 1.038 327 T CA -0.540 61.321 62.100 -0.399 0.000 1.007 327 T CB 0.642 69.386 68.868 -0.207 0.000 1.055 327 T HN 0.526 nan 8.240 nan 0.000 0.451 328 L N 2.635 123.584 121.223 -0.458 0.000 2.354 328 L HA 0.522 4.862 4.340 0.000 0.000 0.269 328 L C -0.054 176.671 176.870 -0.242 0.000 1.005 328 L CA -1.092 53.534 54.840 -0.356 0.000 0.819 328 L CB 1.998 43.897 42.059 -0.266 0.000 1.311 328 L HN 0.597 nan 8.230 nan 0.000 0.423 329 D N 1.160 121.460 120.400 -0.166 0.000 2.425 329 D HA -0.028 4.612 4.640 0.000 0.000 0.247 329 D C -0.181 176.154 176.300 0.059 0.000 1.147 329 D CA 0.491 54.465 54.000 -0.044 0.000 0.879 329 D CB 1.404 42.261 40.800 0.095 0.000 1.179 329 D HN 0.497 nan 8.370 nan 0.000 0.456 330 D N 1.456 121.901 120.400 0.077 0.000 2.469 330 D HA 0.056 4.696 4.640 0.000 0.000 0.213 330 D C -0.293 176.112 176.300 0.175 0.000 1.135 330 D CA -0.040 54.028 54.000 0.114 0.000 0.834 330 D CB 0.441 41.255 40.800 0.024 0.000 1.009 330 D HN 0.268 nan 8.370 nan 0.000 0.507 331 T N 2.231 116.911 114.554 0.210 0.000 2.891 331 T HA -0.044 4.306 4.350 0.000 0.000 0.296 331 T C 0.582 175.372 174.700 0.150 0.000 1.025 331 T CA 0.076 62.304 62.100 0.214 0.000 1.149 331 T CB 0.604 69.596 68.868 0.208 0.000 1.007 331 T HN -0.077 nan 8.240 nan 0.000 0.528 332 K N 4.155 124.611 120.400 0.094 0.000 2.402 332 K HA 0.019 4.339 4.320 0.000 0.000 0.265 332 K C -1.612 174.933 176.600 -0.090 0.000 0.978 332 K CA -1.694 54.563 56.287 -0.050 0.000 0.913 332 K CB -0.241 32.254 32.500 -0.008 0.000 0.954 332 K HN 0.296 nan 8.250 nan 0.000 0.511 333 P HA -0.053 nan 4.420 nan 0.000 0.234 333 P C -0.022 177.227 177.300 -0.086 0.000 1.167 333 P CA 0.999 63.940 63.100 -0.265 0.000 0.763 333 P CB 0.289 31.682 31.700 -0.513 0.000 0.835 334 E N -1.654 118.517 120.200 -0.049 0.000 2.474 334 E HA 0.287 4.637 4.350 0.000 0.000 0.195 334 E C 1.347 177.940 176.600 -0.012 0.000 1.039 334 E CA 0.450 56.839 56.400 -0.019 0.000 0.881 334 E CB -0.319 29.378 29.700 -0.005 0.000 0.970 334 E HN 0.091 nan 8.360 nan 0.000 0.486 335 G N 0.921 109.720 108.800 -0.002 0.000 2.141 335 G HA2 -0.306 3.654 3.960 0.000 0.000 0.231 335 G HA3 -0.306 3.654 3.960 0.000 0.000 0.231 335 G C 0.847 175.736 174.900 -0.018 0.000 0.984 335 G CA 0.376 45.467 45.100 -0.016 0.000 0.660 335 G HN 0.172 nan 8.290 nan 0.000 0.525 336 N N -0.169 118.545 118.700 0.022 0.000 2.105 336 N HA 0.048 4.788 4.740 0.000 0.000 0.190 336 N C 0.347 175.824 175.510 -0.056 0.000 1.066 336 N CA 0.990 54.044 53.050 0.006 0.000 0.861 336 N CB -0.198 38.387 38.487 0.163 0.000 1.048 336 N HN 0.323 nan 8.380 nan 0.000 0.442 337 Y N 1.202 121.490 120.300 -0.021 0.000 2.676 337 Y HA 0.523 5.073 4.550 0.000 0.000 0.338 337 Y C 0.217 176.219 175.900 0.171 0.000 1.057 337 Y CA -1.269 56.843 58.100 0.020 0.000 1.314 337 Y CB -0.103 38.300 38.460 -0.095 0.000 1.164 337 Y HN 0.110 nan 8.280 nan 0.000 0.509 338 A N 2.616 125.590 122.820 0.255 0.000 2.580 338 A HA 0.490 4.810 4.320 0.000 0.000 0.244 338 A C 0.322 178.199 177.584 0.489 0.000 1.045 338 A CA 0.703 52.920 52.037 0.301 0.000 0.761 338 A CB -0.378 18.743 19.000 0.202 0.000 0.962 338 A HN 0.844 nan 8.150 nan 0.000 0.512 339 A N 2.531 125.617 122.820 0.443 0.000 2.594 339 A HA 0.704 5.024 4.320 0.000 0.000 0.295 339 A C -0.883 176.727 177.584 0.042 0.000 1.071 339 A CA -0.462 51.703 52.037 0.214 0.000 0.685 339 A CB 1.003 20.044 19.000 0.069 0.000 1.285 339 A HN 0.806 nan 8.150 nan 0.000 0.405 340 I N 2.635 123.086 120.570 -0.199 0.000 2.418 340 I HA 0.375 4.545 4.170 0.000 0.000 0.287 340 I C -0.103 175.806 176.117 -0.345 0.000 1.008 340 I CA -0.334 60.730 61.300 -0.394 0.000 1.104 340 I CB 1.850 39.424 38.000 -0.711 0.000 1.264 340 I HN 0.711 nan 8.210 nan 0.000 0.438 341 M N 5.300 124.729 119.600 -0.284 0.000 2.318 341 M HA 0.710 5.190 4.480 0.000 0.000 0.347 341 M C -0.422 175.720 176.300 -0.262 0.000 1.175 341 M CA -0.159 54.998 55.300 -0.238 0.000 1.075 341 M CB 1.487 33.978 32.600 -0.182 0.000 1.614 341 M HN 0.717 nan 8.290 nan 0.000 0.456 342 G N 3.648 112.311 108.800 -0.229 0.000 2.720 342 G HA2 0.622 4.582 3.960 0.000 0.000 0.295 342 G HA3 0.622 4.582 3.960 0.000 0.000 0.295 342 G C -2.145 172.681 174.900 -0.123 0.000 1.437 342 G CA -0.592 44.416 45.100 -0.153 0.000 0.886 342 G HN 0.654 nan 8.290 nan 0.000 0.509 343 F N 0.391 120.467 119.950 0.210 0.000 2.443 343 F HA 0.549 5.076 4.527 0.000 0.000 0.335 343 F C 0.551 176.437 175.800 0.144 0.000 1.104 343 F CA -0.847 57.273 58.000 0.199 0.000 1.013 343 F CB 2.349 41.491 39.000 0.237 0.000 1.136 343 F HN 0.055 nan 8.300 nan 0.000 0.470 344 I N 5.071 125.836 120.570 0.324 0.000 2.307 344 I HA 0.250 4.420 4.170 0.000 0.000 0.289 344 I C -0.567 175.607 176.117 0.097 0.000 1.021 344 I CA -0.272 61.128 61.300 0.166 0.000 1.224 344 I CB 0.665 38.741 38.000 0.127 0.000 1.376 344 I HN 0.350 nan 8.210 nan 0.000 0.470 345 L N 6.023 127.262 121.223 0.026 0.000 2.360 345 L HA 0.659 4.999 4.340 0.000 0.000 0.271 345 L C 1.175 177.975 176.870 -0.117 0.000 1.057 345 L CA -0.419 54.389 54.840 -0.054 0.000 0.803 345 L CB 1.295 43.318 42.059 -0.061 0.000 1.207 345 L HN 0.838 nan 8.230 nan 0.000 0.445 346 A N 1.755 124.505 122.820 -0.116 0.000 5.468 346 A HA -0.364 3.956 4.320 0.000 0.000 0.338 346 A C 1.816 179.364 177.584 -0.059 0.000 1.722 346 A CA 1.776 53.758 52.037 -0.091 0.000 0.740 346 A CB -1.655 17.289 19.000 -0.093 0.000 1.424 346 A HN 1.116 nan 8.150 nan 0.000 0.408 347 H N 0.497 119.542 119.070 -0.041 0.000 2.321 347 H HA -0.179 4.377 4.556 0.000 0.000 0.295 347 H C 1.754 177.087 175.328 0.008 0.000 1.102 347 H CA 2.070 58.112 56.048 -0.009 0.000 1.266 347 H CB -0.599 29.161 29.762 -0.002 0.000 1.363 347 H HN 0.734 nan 8.280 nan 0.000 0.492 348 K N 0.965 120.943 120.400 -0.703 0.000 2.127 348 K HA -0.135 4.185 4.320 0.000 0.000 0.208 348 K C 2.641 179.172 176.600 -0.116 0.000 1.047 348 K CA 1.400 57.454 56.287 -0.388 0.000 0.927 348 K CB -0.234 32.029 32.500 -0.395 0.000 0.716 348 K HN 0.417 nan 8.250 nan 0.000 0.450 349 A N 1.748 124.522 122.820 -0.077 0.000 1.908 349 A HA -0.227 4.093 4.320 0.000 0.000 0.218 349 A C 2.074 179.672 177.584 0.024 0.000 1.181 349 A CA 1.678 53.718 52.037 0.004 0.000 0.627 349 A CB -0.392 18.621 19.000 0.022 0.000 0.818 349 A HN 0.299 nan 8.150 nan 0.000 0.445 350 R N -0.678 119.838 120.500 0.027 0.000 2.093 350 R HA 0.040 4.380 4.340 0.000 0.000 0.224 350 R C 2.255 178.583 176.300 0.047 0.000 1.101 350 R CA 1.253 57.380 56.100 0.045 0.000 0.979 350 R CB -0.263 30.071 30.300 0.058 0.000 0.877 350 R HN 0.552 nan 8.270 nan 0.000 0.441 351 K N 1.450 121.881 120.400 0.051 0.000 2.002 351 K HA -0.060 4.260 4.320 0.000 0.000 0.209 351 K C 1.787 178.410 176.600 0.038 0.000 1.048 351 K CA 1.252 57.573 56.287 0.057 0.000 0.930 351 K CB -0.018 32.530 32.500 0.081 0.000 0.714 351 K HN 0.097 nan 8.250 nan 0.000 0.438 352 L N 0.334 121.573 121.223 0.026 0.000 2.478 352 L HA 0.032 4.372 4.340 0.000 0.000 0.223 352 L C 2.396 179.289 176.870 0.038 0.000 1.140 352 L CA 0.484 55.341 54.840 0.028 0.000 0.842 352 L CB -0.527 41.545 42.059 0.023 0.000 0.953 352 L HN 0.268 nan 8.230 nan 0.000 0.452 353 A N 1.377 124.222 122.820 0.041 0.000 1.948 353 A HA -0.235 4.085 4.320 0.000 0.000 0.220 353 A C 2.404 180.011 177.584 0.038 0.000 1.177 353 A CA 1.590 53.654 52.037 0.044 0.000 0.636 353 A CB -0.449 18.577 19.000 0.043 0.000 0.815 353 A HN 0.453 nan 8.150 nan 0.000 0.449 354 R N -0.241 120.279 120.500 0.034 0.000 2.127 354 R HA -0.031 4.309 4.340 0.000 0.000 0.238 354 R C 0.340 176.657 176.300 0.029 0.000 1.134 354 R CA 0.537 56.654 56.100 0.029 0.000 0.975 354 R CB -0.986 29.330 30.300 0.026 0.000 0.865 354 R HN 0.444 nan 8.270 nan 0.000 0.447 355 L N 2.511 123.752 121.223 0.030 0.000 2.483 355 L HA 0.023 4.363 4.340 0.000 0.000 0.275 355 L C 0.558 177.449 176.870 0.035 0.000 1.220 355 L CA -0.045 54.812 54.840 0.028 0.000 0.833 355 L CB 0.257 42.331 42.059 0.024 0.000 1.102 355 L HN 0.172 nan 8.230 nan 0.000 0.490 356 T N -0.496 114.078 114.554 0.032 0.000 2.918 356 T HA 0.036 4.386 4.350 0.000 0.000 0.302 356 T C 0.972 175.703 174.700 0.052 0.000 1.045 356 T CA -0.712 61.412 62.100 0.040 0.000 1.114 356 T CB 1.343 70.231 68.868 0.034 0.000 0.965 356 T HN 0.675 nan 8.240 nan 0.000 0.540 357 K N 1.744 122.190 120.400 0.076 0.000 2.071 357 K HA -0.297 4.023 4.320 0.000 0.000 0.217 357 K C 1.903 178.554 176.600 0.085 0.000 1.054 357 K CA 2.173 58.536 56.287 0.127 0.000 0.937 357 K CB -0.178 32.410 32.500 0.147 0.000 0.719 357 K HN 0.719 nan 8.250 nan 0.000 0.454 358 E N 1.001 121.235 120.200 0.058 0.000 2.045 358 E HA -0.273 4.077 4.350 0.000 0.000 0.212 358 E C 1.923 178.510 176.600 -0.021 0.000 1.039 358 E CA 2.126 58.535 56.400 0.016 0.000 0.860 358 E CB -0.740 28.976 29.700 0.027 0.000 0.776 358 E HN 0.567 nan 8.360 nan 0.000 0.467 359 E N 0.296 120.493 120.200 -0.004 0.000 2.253 359 E HA -0.255 4.095 4.350 0.000 0.000 0.202 359 E C 2.231 178.810 176.600 -0.035 0.000 1.014 359 E CA 1.289 57.682 56.400 -0.013 0.000 0.823 359 E CB -0.230 29.472 29.700 0.004 0.000 0.736 359 E HN 0.114 nan 8.360 nan 0.000 0.478 360 R N 0.415 120.891 120.500 -0.040 0.000 2.100 360 R HA 0.041 4.381 4.340 0.000 0.000 0.220 360 R C 2.349 178.542 176.300 -0.178 0.000 1.091 360 R CA 0.306 56.370 56.100 -0.060 0.000 0.986 360 R CB -0.059 30.250 30.300 0.014 0.000 0.888 360 R HN 0.142 nan 8.270 nan 0.000 0.444 361 L N 0.893 121.933 121.223 -0.306 0.000 1.970 361 L HA -0.256 4.084 4.340 0.000 0.000 0.212 361 L C 2.318 179.065 176.870 -0.205 0.000 1.071 361 L CA 1.793 56.362 54.840 -0.453 0.000 0.751 361 L CB -0.414 41.349 42.059 -0.494 0.000 0.889 361 L HN 0.223 nan 8.230 nan 0.000 0.432 362 K N -0.116 120.212 120.400 -0.120 0.000 2.071 362 K HA -0.294 4.026 4.320 0.000 0.000 0.217 362 K C 2.153 178.714 176.600 -0.066 0.000 1.054 362 K CA 2.059 58.310 56.287 -0.059 0.000 0.937 362 K CB -0.030 32.449 32.500 -0.035 0.000 0.719 362 K HN 0.228 nan 8.250 nan 0.000 0.454 363 K N 0.403 120.753 120.400 -0.083 0.000 1.991 363 K HA -0.161 4.159 4.320 0.000 0.000 0.212 363 K C 2.269 178.781 176.600 -0.148 0.000 1.049 363 K CA 1.674 57.908 56.287 -0.089 0.000 0.932 363 K CB -0.376 32.081 32.500 -0.072 0.000 0.717 363 K HN 0.232 nan 8.250 nan 0.000 0.441 364 L N 0.839 121.953 121.223 -0.183 0.000 1.990 364 L HA -0.315 4.025 4.340 0.000 0.000 0.213 364 L C 2.856 179.488 176.870 -0.397 0.000 1.072 364 L CA 1.292 55.927 54.840 -0.341 0.000 0.755 364 L CB -0.823 41.154 42.059 -0.136 0.000 0.889 364 L HN 0.356 nan 8.230 nan 0.000 0.432 365 C N 0.330 119.620 119.300 -0.017 0.000 2.458 365 C HA -0.244 4.216 4.460 0.000 0.000 0.284 365 C C 2.609 177.646 174.990 0.079 0.000 1.191 365 C CA 1.345 60.478 59.018 0.192 0.000 1.781 365 C CB -1.007 26.821 27.740 0.147 0.000 1.996 365 C HN 0.557 nan 8.230 nan 0.000 0.431 366 E N -0.052 120.159 120.200 0.018 0.000 2.149 366 E HA -0.359 3.991 4.350 0.000 0.000 0.215 366 E C 1.811 178.393 176.600 -0.029 0.000 1.055 366 E CA 2.002 58.402 56.400 0.001 0.000 0.870 366 E CB -0.584 29.106 29.700 -0.017 0.000 0.764 366 E HN 0.563 nan 8.360 nan 0.000 0.463 367 L N 0.619 121.766 121.223 -0.126 0.000 1.956 367 L HA -0.253 4.087 4.340 0.000 0.000 0.216 367 L C 2.184 178.980 176.870 -0.123 0.000 1.073 367 L CA 1.941 56.671 54.840 -0.184 0.000 0.762 367 L CB -1.146 40.696 42.059 -0.360 0.000 0.889 367 L HN 0.227 nan 8.230 nan 0.000 0.433 368 Y N -0.153 120.151 120.300 0.006 0.000 2.139 368 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 368 Y C 2.551 178.466 175.900 0.025 0.000 1.179 368 Y CA 1.070 59.172 58.100 0.004 0.000 1.161 368 Y CB -0.785 37.713 38.460 0.064 0.000 0.970 368 Y HN 0.443 nan 8.280 nan 0.000 0.511 369 A N 0.417 123.350 122.820 0.187 0.000 1.883 369 A HA -0.274 4.046 4.320 0.000 0.000 0.217 369 A C 2.194 179.815 177.584 0.061 0.000 1.186 369 A CA 2.089 54.195 52.037 0.115 0.000 0.624 369 A CB -0.669 18.374 19.000 0.071 0.000 0.822 369 A HN 0.467 nan 8.150 nan 0.000 0.444 370 K N -0.474 119.937 120.400 0.018 0.000 2.097 370 K HA -0.050 4.270 4.320 0.000 0.000 0.205 370 K C 1.717 178.253 176.600 -0.107 0.000 1.050 370 K CA 1.513 57.787 56.287 -0.022 0.000 0.938 370 K CB -0.163 32.326 32.500 -0.018 0.000 0.718 370 K HN 0.242 nan 8.250 nan 0.000 0.442 371 V N 1.496 121.306 119.914 -0.173 0.000 2.407 371 V HA -0.162 3.958 4.120 0.000 0.000 0.245 371 V C 2.251 178.240 176.094 -0.175 0.000 1.041 371 V CA 1.205 63.284 62.300 -0.368 0.000 1.040 371 V CB -0.235 31.405 31.823 -0.304 0.000 0.671 371 V HN 0.302 nan 8.190 nan 0.000 0.455 372 L N 0.457 121.666 121.223 -0.024 0.000 2.109 372 L HA 0.165 4.505 4.340 0.000 0.000 0.207 372 L C 1.438 178.441 176.870 0.222 0.000 1.086 372 L CA 1.144 56.047 54.840 0.106 0.000 0.760 372 L CB -0.789 41.435 42.059 0.275 0.000 0.910 372 L HN 0.591 nan 8.230 nan 0.000 0.437 373 G N 0.960 109.839 108.800 0.130 0.000 2.531 373 G HA2 -0.185 3.775 3.960 0.000 0.000 0.283 373 G HA3 -0.185 3.775 3.960 0.000 0.000 0.283 373 G C -0.255 174.714 174.900 0.115 0.000 1.068 373 G CA 0.159 45.326 45.100 0.111 0.000 1.273 373 G HN 0.306 nan 8.290 nan 0.000 0.532 374 S N 0.666 116.403 115.700 0.061 0.000 2.277 374 S HA 0.253 4.723 4.470 0.000 0.000 0.230 374 S C 1.046 175.567 174.600 -0.132 0.000 0.893 374 S CA -0.322 57.861 58.200 -0.027 0.000 1.044 374 S CB 0.794 64.004 63.200 0.016 0.000 1.252 374 S HN 0.497 nan 8.310 nan 0.000 0.393 375 L N 1.843 122.999 121.223 -0.112 0.000 2.103 375 L HA -0.248 4.092 4.340 0.000 0.000 0.215 375 L C 2.606 179.349 176.870 -0.212 0.000 1.080 375 L CA 1.582 56.355 54.840 -0.112 0.000 0.764 375 L CB -0.402 41.607 42.059 -0.083 0.000 0.890 375 L HN 0.701 nan 8.230 nan 0.000 0.435 376 E N -0.064 119.888 120.200 -0.414 0.000 2.136 376 E HA -0.308 4.042 4.350 0.000 0.000 0.202 376 E C 2.153 178.380 176.600 -0.623 0.000 1.019 376 E CA 1.562 57.573 56.400 -0.649 0.000 0.819 376 E CB -0.287 28.640 29.700 -1.288 0.000 0.739 376 E HN 0.617 nan 8.360 nan 0.000 0.458 377 A N 1.412 123.875 122.820 -0.595 0.000 2.121 377 A HA -0.077 4.243 4.320 0.000 0.000 0.218 377 A C 2.108 179.812 177.584 0.201 0.000 1.154 377 A CA 0.518 52.461 52.037 -0.158 0.000 0.679 377 A CB -0.409 18.715 19.000 0.206 0.000 0.795 377 A HN 0.147 nan 8.150 nan 0.000 0.458 378 L N -0.675 120.591 121.223 0.071 0.000 2.633 378 L HA -0.037 4.303 4.340 0.000 0.000 0.235 378 L C 0.485 177.456 176.870 0.169 0.000 1.163 378 L CA 1.017 55.928 54.840 0.118 0.000 0.859 378 L CB -0.452 41.634 42.059 0.046 0.000 0.973 378 L HN 0.462 nan 8.230 nan 0.000 0.451 379 E N 0.481 120.838 120.200 0.262 0.000 3.659 379 E HA 0.179 4.529 4.350 0.000 0.000 0.217 379 E C -2.132 174.711 176.600 0.406 0.000 1.141 379 E CA -1.677 54.881 56.400 0.263 0.000 1.340 379 E CB 0.780 30.569 29.700 0.148 0.000 1.295 379 E HN 0.154 nan 8.360 nan 0.000 0.434 380 P HA -0.073 nan 4.420 nan 0.000 0.268 380 P C 0.285 177.639 177.300 0.090 0.000 1.208 380 P CA 0.113 63.198 63.100 -0.025 0.000 0.777 380 P CB 1.789 33.451 31.700 -0.063 0.000 0.875 381 V N 0.740 120.712 119.914 0.098 0.000 3.398 381 V HA 0.195 4.316 4.120 0.000 0.000 0.298 381 V C 0.076 176.321 176.094 0.251 0.000 1.496 381 V CA 0.343 62.742 62.300 0.165 0.000 1.044 381 V CB -0.582 31.345 31.823 0.173 0.000 0.880 381 V HN 0.768 nan 8.190 nan 0.000 0.443 382 H N -0.799 118.355 119.070 0.140 0.000 2.987 382 H HA 0.200 4.756 4.556 0.000 0.000 0.285 382 H C -2.519 173.012 175.328 0.338 0.000 1.176 382 H CA -0.369 55.802 56.048 0.204 0.000 1.596 382 H CB 1.172 31.030 29.762 0.161 0.000 2.044 382 H HN 0.071 nan 8.280 nan 0.000 0.500 383 Y N 3.464 123.433 120.300 -0.551 0.000 2.485 383 Y HA 0.501 5.051 4.550 0.000 0.000 0.345 383 Y C -1.184 174.453 175.900 -0.439 0.000 0.998 383 Y CA -0.436 57.432 58.100 -0.387 0.000 1.059 383 Y CB 1.670 40.033 38.460 -0.162 0.000 1.234 383 Y HN 0.593 nan 8.280 nan 0.000 0.461 384 E N 3.820 123.446 120.200 -0.956 0.000 2.335 384 E HA 0.286 4.636 4.350 0.000 0.000 0.280 384 E C -1.780 174.370 176.600 -0.750 0.000 0.918 384 E CA -0.719 55.285 56.400 -0.660 0.000 0.765 384 E CB 2.559 32.130 29.700 -0.216 0.000 1.218 384 E HN 0.769 nan 8.360 nan 0.000 0.425 385 E N 1.007 120.933 120.200 -0.457 0.000 2.363 385 E HA 0.608 4.958 4.350 0.000 0.000 0.281 385 E C -1.371 175.189 176.600 -0.067 0.000 0.953 385 E CA -1.001 55.252 56.400 -0.246 0.000 0.778 385 E CB 2.268 31.835 29.700 -0.222 0.000 1.220 385 E HN 0.121 nan 8.360 nan 0.000 0.431 386 K N 1.717 122.142 120.400 0.041 0.000 2.324 386 K HA 0.415 4.735 4.320 0.000 0.000 0.253 386 K C -1.466 175.168 176.600 0.058 0.000 0.932 386 K CA -0.734 55.555 56.287 0.004 0.000 0.799 386 K CB 1.604 34.106 32.500 0.004 0.000 1.154 386 K HN 0.506 nan 8.250 nan 0.000 0.425 387 N N 4.394 123.060 118.700 -0.057 0.000 2.706 387 N HA 0.177 4.917 4.740 0.000 0.000 0.240 387 N C -0.385 175.108 175.510 -0.028 0.000 1.039 387 N CA -0.560 52.514 53.050 0.041 0.000 0.888 387 N CB 0.158 38.671 38.487 0.043 0.000 1.128 387 N HN 0.642 nan 8.380 nan 0.000 0.512 388 W N 2.094 123.447 121.300 0.088 0.000 2.342 388 W HA -0.107 4.553 4.660 -0.000 0.000 0.297 388 W C 2.205 178.754 176.519 0.051 0.000 1.213 388 W CA 0.311 57.702 57.345 0.076 0.000 1.251 388 W CB -0.922 28.596 29.460 0.097 0.000 1.136 388 W HN 0.525 nan 8.180 nan 0.000 0.526 389 C N 0.767 120.203 119.300 0.228 0.000 2.406 389 C HA -0.273 4.187 4.460 0.000 0.000 0.277 389 C C 1.931 176.966 174.990 0.074 0.000 1.158 389 C CA 1.913 61.008 59.018 0.127 0.000 1.857 389 C CB -1.725 26.072 27.740 0.094 0.000 2.175 389 C HN 0.511 nan 8.230 nan 0.000 0.482 390 E N 0.076 120.299 120.200 0.039 0.000 2.394 390 E HA 0.141 4.491 4.350 0.000 0.000 0.191 390 E C -0.243 176.347 176.600 -0.018 0.000 1.044 390 E CA 0.043 56.443 56.400 -0.001 0.000 0.939 390 E CB -0.031 29.657 29.700 -0.021 0.000 1.089 390 E HN 0.527 nan 8.360 nan 0.000 0.456 391 E N 1.988 122.200 120.200 0.019 0.000 2.073 391 E HA 0.009 4.359 4.350 0.000 0.000 0.269 391 E C 0.364 176.967 176.600 0.004 0.000 0.917 391 E CA -0.242 56.167 56.400 0.014 0.000 0.757 391 E CB 1.760 31.506 29.700 0.077 0.000 1.111 391 E HN 0.327 nan 8.360 nan 0.000 0.410 392 Q N 2.901 122.652 119.800 -0.081 0.000 2.152 392 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 392 Q C 0.254 176.050 176.000 -0.339 0.000 0.985 392 Q CA 1.794 57.447 55.803 -0.251 0.000 0.863 392 Q CB 0.047 28.533 28.738 -0.420 0.000 0.904 392 Q HN 0.557 nan 8.270 nan 0.000 0.422 393 Y N -0.702 119.627 120.300 0.047 0.000 2.625 393 Y HA 0.313 4.863 4.550 0.000 0.000 0.285 393 Y C 1.224 177.182 175.900 0.097 0.000 1.168 393 Y CA -0.216 57.921 58.100 0.061 0.000 1.250 393 Y CB 0.835 39.322 38.460 0.045 0.000 1.130 393 Y HN 0.077 nan 8.280 nan 0.000 0.526 394 S N -1.943 113.873 115.700 0.193 0.000 3.019 394 S HA 0.352 4.822 4.470 0.000 0.000 0.258 394 S C 1.705 176.395 174.600 0.150 0.000 1.082 394 S CA 0.591 58.918 58.200 0.212 0.000 0.836 394 S CB 0.707 64.100 63.200 0.322 0.000 0.834 394 S HN 0.518 nan 8.310 nan 0.000 0.457 395 G N 0.678 109.552 108.800 0.123 0.000 2.284 395 G HA2 0.141 4.101 3.960 0.000 0.000 0.216 395 G HA3 0.141 4.101 3.960 0.000 0.000 0.216 395 G C 0.519 175.476 174.900 0.095 0.000 1.009 395 G CA 0.050 45.193 45.100 0.072 0.000 0.625 395 G HN 1.395 nan 8.290 nan 0.000 0.501 396 G N -1.955 106.939 108.800 0.157 0.000 2.356 396 G HA2 0.507 4.467 3.960 0.000 0.000 0.266 396 G HA3 0.507 4.467 3.960 0.000 0.000 0.266 396 G C -0.970 174.023 174.900 0.154 0.000 1.312 396 G CA 0.455 45.655 45.100 0.167 0.000 0.922 396 G HN 1.388 nan 8.290 nan 0.000 0.480 397 C N -1.758 117.586 119.300 0.074 0.000 3.285 397 C HA 0.781 5.241 4.460 0.000 0.000 0.320 397 C C 0.932 175.907 174.990 -0.025 0.000 1.411 397 C CA 0.162 59.174 59.018 -0.010 0.000 1.429 397 C CB 0.599 28.240 27.740 -0.166 0.000 1.812 397 C HN 1.113 nan 8.230 nan 0.000 0.454 398 Y N 0.665 120.854 120.300 -0.184 0.000 2.687 398 Y HA -0.331 4.219 4.550 0.000 0.000 0.481 398 Y C 1.225 177.127 175.900 0.003 0.000 1.032 398 Y CA 2.005 60.032 58.100 -0.122 0.000 3.072 398 Y CB -2.552 35.840 38.460 -0.113 0.000 1.028 398 Y HN 0.781 nan 8.280 nan 0.000 0.593 399 T N -1.856 112.836 114.554 0.229 0.000 2.550 399 T HA 0.602 4.952 4.350 0.000 0.000 0.256 399 T C -0.278 174.543 174.700 0.203 0.000 0.866 399 T CA -0.220 62.026 62.100 0.243 0.000 1.163 399 T CB 1.841 70.929 68.868 0.366 0.000 1.460 399 T HN 0.193 nan 8.240 nan 0.000 0.498 400 T N 1.889 116.589 114.554 0.244 0.000 2.867 400 T HA 0.640 4.990 4.350 0.000 0.000 0.282 400 T C -1.165 173.626 174.700 0.152 0.000 1.000 400 T CA -0.539 61.635 62.100 0.123 0.000 1.042 400 T CB 0.183 69.131 68.868 0.135 0.000 0.973 400 T HN 0.583 nan 8.240 nan 0.000 0.465 401 Y N 0.184 120.322 120.300 -0.269 0.000 2.562 401 Y HA 0.838 5.388 4.550 0.000 0.000 0.343 401 Y C -1.528 173.900 175.900 -0.787 0.000 1.025 401 Y CA -2.064 55.481 58.100 -0.925 0.000 1.082 401 Y CB 0.903 38.977 38.460 -0.644 0.000 1.264 401 Y HN 0.377 nan 8.280 nan 0.000 0.478 402 F N 2.939 122.087 119.950 -1.337 0.000 2.426 402 F HA 0.586 5.113 4.527 0.000 0.000 0.348 402 F C -2.413 173.277 175.800 -0.183 0.000 1.124 402 F CA -3.110 54.509 58.000 -0.635 0.000 1.008 402 F CB 1.573 40.228 39.000 -0.576 0.000 1.139 402 F HN 0.315 nan 8.300 nan 0.000 0.452 403 P HA 0.193 nan 4.420 nan 0.000 0.274 403 P C -2.053 175.326 177.300 0.131 0.000 1.237 403 P CA -1.146 62.026 63.100 0.120 0.000 0.793 403 P CB 0.453 32.175 31.700 0.037 0.000 0.977 404 P HA -0.304 nan 4.420 nan 0.000 0.224 404 P C 1.483 178.866 177.300 0.138 0.000 1.130 404 P CA 2.751 65.938 63.100 0.144 0.000 0.976 404 P CB -0.726 31.038 31.700 0.107 0.000 0.781 405 G N -2.352 106.511 108.800 0.104 0.000 2.586 405 G HA2 -0.138 3.822 3.960 0.000 0.000 0.215 405 G HA3 -0.138 3.822 3.960 0.000 0.000 0.215 405 G C 1.274 176.257 174.900 0.139 0.000 1.128 405 G CA 0.536 45.699 45.100 0.106 0.000 0.774 405 G HN 0.298 nan 8.290 nan 0.000 0.543 406 I N -1.348 119.333 120.570 0.185 0.000 3.565 406 I HA 0.202 4.372 4.170 0.000 0.000 0.287 406 I C 2.170 178.494 176.117 0.344 0.000 1.193 406 I CA -0.257 61.194 61.300 0.252 0.000 1.402 406 I CB -0.051 38.044 38.000 0.158 0.000 1.284 406 I HN 0.034 nan 8.210 nan 0.000 0.454 407 L N 1.028 122.500 121.223 0.415 0.000 1.976 407 L HA -0.311 4.029 4.340 0.000 0.000 0.223 407 L C 2.438 179.411 176.870 0.172 0.000 1.081 407 L CA 2.387 57.376 54.840 0.248 0.000 0.784 407 L CB -1.148 40.968 42.059 0.094 0.000 0.896 407 L HN 0.237 nan 8.230 nan 0.000 0.438 408 T N -0.963 113.688 114.554 0.161 0.000 2.731 408 T HA -0.300 4.050 4.350 0.000 0.000 0.263 408 T C 1.726 176.387 174.700 -0.065 0.000 1.033 408 T CA 2.153 64.305 62.100 0.086 0.000 1.160 408 T CB -0.131 68.786 68.868 0.082 0.000 0.849 408 T HN 0.510 nan 8.240 nan 0.000 0.469 409 Q N -1.785 117.958 119.800 -0.096 0.000 2.462 409 Q HA 0.150 4.490 4.340 0.000 0.000 0.224 409 Q C 1.557 177.299 176.000 -0.431 0.000 0.911 409 Q CA 0.687 56.306 55.803 -0.307 0.000 0.925 409 Q CB 0.255 28.744 28.738 -0.416 0.000 1.063 409 Q HN 0.633 nan 8.270 nan 0.000 0.572 410 Y N 0.058 120.285 120.300 -0.121 0.000 2.449 410 Y HA 0.193 4.743 4.550 0.000 0.000 0.254 410 Y C 2.124 177.916 175.900 -0.180 0.000 1.140 410 Y CA 0.186 58.199 58.100 -0.145 0.000 1.272 410 Y CB 0.113 38.510 38.460 -0.104 0.000 1.114 410 Y HN 0.154 nan 8.280 nan 0.000 0.525 411 G N 1.839 110.593 108.800 -0.076 0.000 2.599 411 G HA2 -0.330 3.630 3.960 0.000 0.000 0.219 411 G HA3 -0.330 3.630 3.960 0.000 0.000 0.219 411 G C 1.462 175.969 174.900 -0.654 0.000 1.193 411 G CA 1.051 46.012 45.100 -0.233 0.000 0.778 411 G HN 0.455 nan 8.290 nan 0.000 0.589 412 R N 0.525 120.298 120.500 -1.211 0.000 2.526 412 R HA 0.241 4.581 4.340 0.000 0.000 0.223 412 R C 0.598 176.677 176.300 -0.368 0.000 1.250 412 R CA 0.233 55.663 56.100 -1.116 0.000 1.227 412 R CB -0.150 29.551 30.300 -0.998 0.000 1.109 412 R HN 0.314 nan 8.270 nan 0.000 0.499 413 V N 0.222 120.000 119.914 -0.227 0.000 3.612 413 V HA 0.003 4.123 4.120 0.000 0.000 0.268 413 V C 2.001 178.037 176.094 -0.098 0.000 1.365 413 V CA -0.037 62.188 62.300 -0.125 0.000 1.044 413 V CB 0.116 31.871 31.823 -0.113 0.000 0.820 413 V HN 0.303 nan 8.190 nan 0.000 0.444 414 L N 1.278 122.475 121.223 -0.044 0.000 2.103 414 L HA -0.225 4.115 4.340 0.000 0.000 0.215 414 L C 2.304 179.133 176.870 -0.068 0.000 1.080 414 L CA 2.447 57.272 54.840 -0.025 0.000 0.764 414 L CB -0.103 42.036 42.059 0.134 0.000 0.890 414 L HN 0.504 nan 8.230 nan 0.000 0.435 415 R N -1.706 118.835 120.500 0.068 0.000 2.566 415 R HA 0.178 4.518 4.340 0.000 0.000 0.388 415 R C 0.409 176.850 176.300 0.235 0.000 0.989 415 R CA -0.294 55.921 56.100 0.191 0.000 1.164 415 R CB -0.009 30.465 30.300 0.292 0.000 1.459 415 R HN 0.181 nan 8.270 nan 0.000 0.553 416 Q N 3.100 122.980 119.800 0.134 0.000 2.289 416 Q HA 0.173 4.513 4.340 0.000 0.000 0.273 416 Q C -1.990 174.122 176.000 0.188 0.000 1.029 416 Q CA -1.812 54.068 55.803 0.127 0.000 0.896 416 Q CB 1.020 29.785 28.738 0.045 0.000 1.182 416 Q HN 0.114 nan 8.270 nan 0.000 0.385 417 P HA 0.047 nan 4.420 nan 0.000 0.274 417 P C -1.055 176.211 177.300 -0.058 0.000 1.231 417 P CA -0.144 62.915 63.100 -0.068 0.000 0.790 417 P CB 0.763 32.207 31.700 -0.427 0.000 0.951 418 V N 2.977 122.835 119.914 -0.094 0.000 2.325 418 V HA 0.135 4.255 4.120 0.000 0.000 0.280 418 V C 0.797 176.833 176.094 -0.097 0.000 1.016 418 V CA 0.128 62.398 62.300 -0.050 0.000 0.818 418 V CB 0.243 32.081 31.823 0.025 0.000 1.019 418 V HN 0.747 nan 8.190 nan 0.000 0.434 419 D N 4.121 124.476 120.400 -0.076 0.000 4.541 419 D HA -0.308 4.332 4.640 0.000 0.000 0.226 419 D C 1.304 177.574 176.300 -0.051 0.000 0.548 419 D CA 2.534 56.508 54.000 -0.043 0.000 1.208 419 D CB -0.203 40.591 40.800 -0.011 0.000 0.737 419 D HN 0.649 nan 8.370 nan 0.000 0.401 420 R N -0.199 120.290 120.500 -0.018 0.000 2.629 420 R HA 0.474 4.814 4.340 0.000 0.000 0.386 420 R C -0.421 175.948 176.300 0.116 0.000 1.071 420 R CA -0.203 55.978 56.100 0.135 0.000 1.104 420 R CB 0.689 31.049 30.300 0.099 0.000 1.370 420 R HN 0.260 nan 8.270 nan 0.000 0.574 421 I N 1.187 121.668 120.570 -0.150 0.000 2.336 421 I HA 0.313 4.483 4.170 0.000 0.000 0.292 421 I C -0.581 175.227 176.117 -0.515 0.000 0.991 421 I CA -0.776 60.391 61.300 -0.222 0.000 1.227 421 I CB 0.864 38.696 38.000 -0.281 0.000 1.366 421 I HN -0.032 nan 8.210 nan 0.000 0.466 422 Y N 4.992 125.091 120.300 -0.334 0.000 2.621 422 Y HA 0.555 5.105 4.550 0.000 0.000 0.334 422 Y C -0.656 174.981 175.900 -0.439 0.000 1.074 422 Y CA -0.932 57.006 58.100 -0.270 0.000 1.149 422 Y CB 1.594 40.000 38.460 -0.090 0.000 1.302 422 Y HN 0.274 nan 8.280 nan 0.000 0.501 423 F N 0.863 120.940 119.950 0.212 0.000 2.496 423 F HA 0.671 5.198 4.527 0.000 0.000 0.341 423 F C 0.317 176.201 175.800 0.140 0.000 1.134 423 F CA -0.614 57.475 58.000 0.149 0.000 0.968 423 F CB 1.097 40.169 39.000 0.121 0.000 1.205 423 F HN 0.619 nan 8.300 nan 0.000 0.436 424 A N 2.541 125.538 122.820 0.295 0.000 3.369 424 A HA 0.927 5.247 4.320 0.000 0.000 0.186 424 A C 0.482 178.206 177.584 0.234 0.000 1.849 424 A CA -0.268 51.899 52.037 0.216 0.000 0.881 424 A CB -0.276 18.806 19.000 0.136 0.000 1.850 424 A HN 1.436 nan 8.150 nan 0.000 0.656 425 G N -2.570 106.345 108.800 0.192 0.000 2.879 425 G HA2 0.107 4.067 3.960 0.000 0.000 0.686 425 G HA3 0.107 4.067 3.960 0.000 0.000 0.686 425 G C 0.481 175.515 174.900 0.223 0.000 1.115 425 G CA 0.663 45.881 45.100 0.197 0.000 0.770 425 G HN 1.782 nan 8.290 nan 0.000 0.601 426 T N -0.094 114.594 114.554 0.223 0.000 2.737 426 T HA -0.160 4.190 4.350 0.000 0.000 0.269 426 T C 1.976 176.869 174.700 0.322 0.000 1.040 426 T CA 2.437 64.694 62.100 0.262 0.000 1.142 426 T CB -0.360 68.666 68.868 0.264 0.000 0.861 426 T HN 0.730 nan 8.240 nan 0.000 0.456 427 E N -0.120 120.272 120.200 0.320 0.000 2.501 427 E HA -0.068 4.282 4.350 0.000 0.000 0.203 427 E C 1.507 178.334 176.600 0.379 0.000 1.072 427 E CA 0.774 57.403 56.400 0.381 0.000 0.885 427 E CB -0.336 29.558 29.700 0.324 0.000 0.813 427 E HN 0.413 nan 8.360 nan 0.000 0.556 428 T N -0.323 114.434 114.554 0.339 0.000 3.010 428 T HA 0.302 4.652 4.350 0.000 0.000 0.257 428 T C 0.707 175.629 174.700 0.370 0.000 1.020 428 T CA 0.253 62.552 62.100 0.332 0.000 0.938 428 T CB 0.325 69.366 68.868 0.289 0.000 1.049 428 T HN 0.267 nan 8.240 nan 0.000 0.522 429 A N 0.290 123.330 122.820 0.367 0.000 2.398 429 A HA 0.552 4.872 4.320 0.000 0.000 0.264 429 A C 1.325 179.127 177.584 0.363 0.000 1.564 429 A CA 0.348 52.598 52.037 0.354 0.000 0.828 429 A CB -0.129 19.048 19.000 0.296 0.000 1.444 429 A HN 0.279 nan 8.150 nan 0.000 0.565 430 T N -2.347 112.371 114.554 0.272 0.000 3.151 430 T HA 0.186 4.536 4.350 0.000 0.000 0.257 430 T C -0.084 174.617 174.700 0.001 0.000 0.872 430 T CA 0.203 62.399 62.100 0.161 0.000 0.873 430 T CB -0.226 68.743 68.868 0.169 0.000 1.272 430 T HN 0.704 nan 8.240 nan 0.000 0.543 431 H N -1.357 117.698 119.070 -0.025 0.000 2.495 431 H HA 0.349 4.905 4.556 0.000 0.000 0.348 431 H C -0.753 174.507 175.328 -0.112 0.000 1.113 431 H CA -0.888 55.070 56.048 -0.150 0.000 1.195 431 H CB 0.777 30.551 29.762 0.020 0.000 1.521 431 H HN 0.300 nan 8.280 nan 0.000 0.509 432 W N 1.889 123.129 121.300 -0.101 0.000 4.973 432 W HA -0.288 4.372 4.660 0.000 0.000 0.350 432 W C 0.382 176.806 176.519 -0.158 0.000 1.280 432 W CA 0.841 57.984 57.345 -0.337 0.000 0.854 432 W CB -1.439 27.837 29.460 -0.307 0.000 2.367 432 W HN 0.373 nan 8.180 nan 0.000 1.511 433 S N 0.369 116.057 115.700 -0.020 0.000 2.560 433 S HA 0.424 4.894 4.470 0.000 0.000 0.284 433 S C 1.333 176.167 174.600 0.389 0.000 1.327 433 S CA 1.520 59.850 58.200 0.216 0.000 1.055 433 S CB 0.995 64.377 63.200 0.303 0.000 0.868 433 S HN 1.245 nan 8.310 nan 0.000 0.506 434 G N 2.856 111.967 108.800 0.519 0.000 2.259 434 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 434 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 434 G C -0.244 174.987 174.900 0.552 0.000 1.001 434 G CA 0.101 45.592 45.100 0.652 0.000 0.627 434 G HN 0.663 nan 8.290 nan 0.000 0.501 435 Y N 0.162 120.616 120.300 0.256 0.000 2.534 435 Y HA 0.735 5.285 4.550 0.000 0.000 0.329 435 Y C 2.060 178.036 175.900 0.127 0.000 1.154 435 Y CA -0.740 57.465 58.100 0.176 0.000 1.192 435 Y CB 0.802 39.386 38.460 0.207 0.000 1.275 435 Y HN 0.022 nan 8.280 nan 0.000 0.491 436 M N -0.177 119.552 119.600 0.215 0.000 2.088 436 M HA -0.279 4.201 4.480 0.000 0.000 0.256 436 M C 1.951 178.331 176.300 0.135 0.000 1.071 436 M CA 1.860 57.245 55.300 0.141 0.000 1.097 436 M CB -0.286 32.378 32.600 0.106 0.000 1.315 436 M HN 0.757 nan 8.290 nan 0.000 0.406 437 E N 0.259 120.519 120.200 0.100 0.000 2.068 437 E HA -0.220 4.130 4.350 0.000 0.000 0.207 437 E C 1.932 178.610 176.600 0.129 0.000 1.032 437 E CA 1.967 58.396 56.400 0.049 0.000 0.839 437 E CB -0.612 29.038 29.700 -0.084 0.000 0.758 437 E HN 0.623 nan 8.360 nan 0.000 0.457 438 G N 1.150 110.079 108.800 0.215 0.000 2.764 438 G HA2 -0.373 3.587 3.960 0.000 0.000 0.219 438 G HA3 -0.373 3.587 3.960 0.000 0.000 0.219 438 G C 1.718 176.735 174.900 0.194 0.000 1.259 438 G CA 2.489 47.730 45.100 0.235 0.000 0.793 438 G HN 0.481 nan 8.290 nan 0.000 0.633 439 A N -0.512 122.422 122.820 0.189 0.000 1.985 439 A HA -0.106 4.214 4.320 0.000 0.000 0.223 439 A C 2.650 180.304 177.584 0.117 0.000 1.189 439 A CA 2.674 54.803 52.037 0.154 0.000 0.658 439 A CB -0.774 18.306 19.000 0.134 0.000 0.820 439 A HN 0.475 nan 8.150 nan 0.000 0.464 440 V N 0.028 120.002 119.914 0.100 0.000 2.270 440 V HA -0.275 3.845 4.120 0.000 0.000 0.245 440 V C 2.550 178.689 176.094 0.075 0.000 1.043 440 V CA 2.248 64.590 62.300 0.070 0.000 1.014 440 V CB -0.859 30.993 31.823 0.049 0.000 0.645 440 V HN 0.877 nan 8.190 nan 0.000 0.447 441 E N 0.967 121.229 120.200 0.103 0.000 2.097 441 E HA -0.289 4.061 4.350 0.000 0.000 0.196 441 E C 2.065 178.719 176.600 0.091 0.000 1.000 441 E CA 1.810 58.279 56.400 0.114 0.000 0.804 441 E CB -0.302 29.511 29.700 0.188 0.000 0.740 441 E HN 0.528 nan 8.360 nan 0.000 0.454 442 A N 1.325 124.220 122.820 0.125 0.000 1.827 442 A HA -0.132 4.188 4.320 0.000 0.000 0.215 442 A C 2.586 180.198 177.584 0.048 0.000 1.212 442 A CA 2.254 54.361 52.037 0.115 0.000 0.624 442 A CB -1.871 17.228 19.000 0.165 0.000 0.853 442 A HN 0.496 nan 8.150 nan 0.000 0.450 443 G N -0.693 108.144 108.800 0.061 0.000 2.649 443 G HA2 -0.375 3.585 3.960 0.000 0.000 0.220 443 G HA3 -0.375 3.585 3.960 0.000 0.000 0.220 443 G C 1.412 176.302 174.900 -0.016 0.000 1.189 443 G CA 1.546 46.664 45.100 0.031 0.000 0.777 443 G HN 0.696 nan 8.290 nan 0.000 0.602 444 E N -0.455 119.734 120.200 -0.017 0.000 2.033 444 E HA -0.195 4.155 4.350 0.000 0.000 0.199 444 E C 2.576 179.109 176.600 -0.111 0.000 1.011 444 E CA 1.103 57.474 56.400 -0.048 0.000 0.815 444 E CB -0.222 29.462 29.700 -0.027 0.000 0.755 444 E HN 0.382 nan 8.360 nan 0.000 0.451 445 R N 0.879 121.282 120.500 -0.161 0.000 2.094 445 R HA -0.239 4.101 4.340 0.000 0.000 0.239 445 R C 2.177 178.296 176.300 -0.301 0.000 1.137 445 R CA 1.513 57.404 56.100 -0.349 0.000 0.943 445 R CB -0.481 29.477 30.300 -0.569 0.000 0.850 445 R HN 0.169 nan 8.270 nan 0.000 0.433 446 A N 1.058 123.771 122.820 -0.178 0.000 1.912 446 A HA -0.301 4.019 4.320 0.000 0.000 0.217 446 A C 2.418 179.894 177.584 -0.180 0.000 1.309 446 A CA 3.020 54.992 52.037 -0.108 0.000 0.726 446 A CB -1.622 17.370 19.000 -0.014 0.000 0.840 446 A HN 0.655 nan 8.150 nan 0.000 0.473 447 A N -0.988 121.746 122.820 -0.143 0.000 1.906 447 A HA -0.364 3.956 4.320 0.000 0.000 0.222 447 A C 2.238 179.691 177.584 -0.218 0.000 1.282 447 A CA 2.749 54.685 52.037 -0.168 0.000 0.675 447 A CB -0.810 18.129 19.000 -0.102 0.000 0.838 447 A HN 0.622 nan 8.150 nan 0.000 0.469 448 R N -1.019 119.367 120.500 -0.190 0.000 2.139 448 R HA -0.187 4.153 4.340 0.000 0.000 0.243 448 R C 2.254 178.425 176.300 -0.216 0.000 1.145 448 R CA 1.686 57.678 56.100 -0.179 0.000 0.976 448 R CB -0.302 29.895 30.300 -0.171 0.000 0.866 448 R HN 0.792 nan 8.270 nan 0.000 0.449 449 E N 0.208 120.239 120.200 -0.282 0.000 2.058 449 E HA -0.218 4.132 4.350 0.000 0.000 0.194 449 E C 1.872 178.197 176.600 -0.460 0.000 0.997 449 E CA 1.384 57.599 56.400 -0.307 0.000 0.801 449 E CB -0.060 29.471 29.700 -0.282 0.000 0.746 449 E HN 0.281 nan 8.360 nan 0.000 0.450 450 I N 0.611 120.791 120.570 -0.650 0.000 2.252 450 I HA -0.283 3.887 4.170 0.000 0.000 0.245 450 I C 2.152 177.972 176.117 -0.495 0.000 1.102 450 I CA 0.719 61.518 61.300 -0.836 0.000 1.385 450 I CB -0.078 37.418 38.000 -0.841 0.000 1.064 450 I HN 0.167 nan 8.210 nan 0.000 0.414 451 L N -0.139 120.906 121.223 -0.298 0.000 1.978 451 L HA -0.357 3.983 4.340 0.000 0.000 0.218 451 L C 2.693 179.490 176.870 -0.122 0.000 1.075 451 L CA 2.306 57.042 54.840 -0.173 0.000 0.767 451 L CB -1.168 40.825 42.059 -0.111 0.000 0.890 451 L HN 0.388 nan 8.230 nan 0.000 0.434 452 H N -0.320 118.649 119.070 -0.168 0.000 2.431 452 H HA -0.202 4.354 4.556 0.000 0.000 0.297 452 H C 2.035 177.307 175.328 -0.093 0.000 1.115 452 H CA 1.671 57.657 56.048 -0.104 0.000 1.277 452 H CB 0.129 29.844 29.762 -0.079 0.000 1.372 452 H HN 0.391 nan 8.280 nan 0.000 0.516 453 A N 0.551 123.334 122.820 -0.061 0.000 1.877 453 A HA -0.151 4.169 4.320 0.000 0.000 0.216 453 A C 2.397 179.939 177.584 -0.071 0.000 1.186 453 A CA 1.669 53.679 52.037 -0.045 0.000 0.620 453 A CB -0.591 18.315 19.000 -0.156 0.000 0.822 453 A HN 0.548 nan 8.150 nan 0.000 0.443 454 M N -1.268 118.267 119.600 -0.110 0.000 2.632 454 M HA 0.056 4.536 4.480 0.000 0.000 0.256 454 M C 1.378 177.640 176.300 -0.063 0.000 1.080 454 M CA 0.959 56.243 55.300 -0.027 0.000 1.084 454 M CB -0.101 32.484 32.600 -0.024 0.000 1.439 454 M HN 0.709 nan 8.290 nan 0.000 0.509 455 G N 1.145 109.860 108.800 -0.142 0.000 2.132 455 G HA2 -0.247 3.713 3.960 0.000 0.000 0.234 455 G HA3 -0.247 3.713 3.960 0.000 0.000 0.234 455 G C 0.465 175.301 174.900 -0.106 0.000 0.989 455 G CA 0.189 45.194 45.100 -0.157 0.000 0.676 455 G HN 0.556 nan 8.290 nan 0.000 0.522 456 K N -0.202 120.146 120.400 -0.087 0.000 2.469 456 K HA 0.612 4.932 4.320 0.000 0.000 0.201 456 K C 0.494 177.069 176.600 -0.042 0.000 1.028 456 K CA 0.349 56.603 56.287 -0.055 0.000 1.170 456 K CB 0.609 33.081 32.500 -0.046 0.000 0.874 456 K HN 0.536 nan 8.250 nan 0.000 0.507 457 I N 0.647 121.189 120.570 -0.047 0.000 2.721 457 I HA 0.108 4.278 4.170 0.000 0.000 0.292 457 I C -2.990 173.170 176.117 0.072 0.000 1.674 457 I CA -1.977 59.328 61.300 0.009 0.000 0.993 457 I CB 2.767 40.779 38.000 0.020 0.000 1.448 457 I HN -0.123 nan 8.210 nan 0.000 0.500 458 P HA 0.347 nan 4.420 nan 0.000 0.283 458 P C 0.247 177.718 177.300 0.285 0.000 1.271 458 P CA -0.370 62.878 63.100 0.248 0.000 0.841 458 P CB 1.154 32.929 31.700 0.126 0.000 1.122 459 E N 0.114 120.453 120.200 0.231 0.000 2.164 459 E HA -0.347 4.003 4.350 0.000 0.000 0.206 459 E C 0.980 177.616 176.600 0.061 0.000 1.032 459 E CA 1.939 58.326 56.400 -0.022 0.000 0.832 459 E CB -0.269 29.441 29.700 0.016 0.000 0.742 459 E HN 0.449 nan 8.360 nan 0.000 0.460 460 D N 0.228 120.682 120.400 0.090 0.000 2.303 460 D HA -0.224 4.416 4.640 0.000 0.000 0.190 460 D C 1.152 177.505 176.300 0.089 0.000 1.011 460 D CA 1.868 55.920 54.000 0.086 0.000 0.860 460 D CB -0.139 40.705 40.800 0.073 0.000 0.961 460 D HN 0.332 nan 8.370 nan 0.000 0.453 461 E N -0.555 119.684 120.200 0.066 0.000 2.437 461 E HA 0.120 4.470 4.350 0.000 0.000 0.189 461 E C 1.683 178.275 176.600 -0.012 0.000 1.054 461 E CA -0.307 56.117 56.400 0.039 0.000 0.874 461 E CB 0.411 30.129 29.700 0.029 0.000 1.011 461 E HN 0.366 nan 8.360 nan 0.000 0.474 462 I N -0.176 120.371 120.570 -0.039 0.000 2.110 462 I HA -0.153 4.017 4.170 0.000 0.000 0.236 462 I C 0.702 176.626 176.117 -0.323 0.000 1.068 462 I CA 1.052 62.220 61.300 -0.221 0.000 1.333 462 I CB -0.358 37.489 38.000 -0.255 0.000 1.054 462 I HN 0.161 nan 8.210 nan 0.000 0.402 463 W N 2.191 123.498 121.300 0.013 0.000 2.311 463 W HA 0.455 5.115 4.660 -0.000 0.000 0.310 463 W C 0.270 176.804 176.519 0.024 0.000 1.274 463 W CA 0.023 57.383 57.345 0.025 0.000 1.215 463 W CB 0.448 29.923 29.460 0.025 0.000 1.227 463 W HN 0.117 nan 8.180 nan 0.000 0.523 464 Q N 1.965 121.891 119.800 0.211 0.000 2.389 464 Q HA 0.431 4.771 4.340 0.000 0.000 0.277 464 Q C -0.243 175.835 176.000 0.130 0.000 1.082 464 Q CA -0.571 55.309 55.803 0.129 0.000 0.810 464 Q CB 1.971 30.747 28.738 0.063 0.000 1.374 464 Q HN 0.542 nan 8.270 nan 0.000 0.422 465 S N 1.462 117.222 115.700 0.100 0.000 2.661 465 S HA 0.400 4.870 4.470 0.000 0.000 0.265 465 S C -0.680 173.965 174.600 0.076 0.000 1.225 465 S CA -0.811 57.444 58.200 0.093 0.000 0.986 465 S CB 0.693 63.938 63.200 0.076 0.000 1.008 465 S HN 0.594 nan 8.310 nan 0.000 0.565 466 E N 0.690 120.934 120.200 0.074 0.000 2.437 466 E HA 0.365 4.715 4.350 0.000 0.000 0.238 466 E C -2.879 173.749 176.600 0.046 0.000 0.969 466 E CA -1.752 54.686 56.400 0.063 0.000 0.759 466 E CB 0.365 30.119 29.700 0.089 0.000 1.283 466 E HN 0.340 nan 8.360 nan 0.000 0.416 467 P HA -0.001 nan 4.420 nan 0.000 0.271 467 P C -0.353 176.958 177.300 0.018 0.000 1.226 467 P CA -0.319 62.796 63.100 0.025 0.000 0.765 467 P CB 0.592 32.304 31.700 0.021 0.000 0.835 468 E N 2.812 123.022 120.200 0.017 0.000 2.465 468 E HA 0.074 4.424 4.350 0.000 0.000 0.260 468 E C 0.044 176.645 176.600 0.002 0.000 0.980 468 E CA -0.284 56.121 56.400 0.009 0.000 0.927 468 E CB 0.416 30.123 29.700 0.012 0.000 0.934 468 E HN 0.405 nan 8.360 nan 0.000 0.459 469 S N 3.044 118.740 115.700 -0.007 0.000 2.568 469 S HA -0.015 4.455 4.470 0.000 0.000 0.282 469 S C 0.919 175.516 174.600 -0.005 0.000 1.338 469 S CA -0.553 57.642 58.200 -0.008 0.000 1.045 469 S CB 1.260 64.448 63.200 -0.020 0.000 0.873 469 S HN 0.491 nan 8.310 nan 0.000 0.516 470 V N 3.019 122.932 119.914 -0.001 0.000 2.535 470 V HA -0.008 4.112 4.120 0.000 0.000 0.246 470 V C 1.667 177.759 176.094 -0.003 0.000 1.045 470 V CA 1.803 64.103 62.300 0.000 0.000 1.058 470 V CB -0.616 31.210 31.823 0.004 0.000 0.689 470 V HN 0.885 nan 8.190 nan 0.000 0.461 471 D N 0.316 120.714 120.400 -0.004 0.000 2.277 471 D HA -0.036 4.604 4.640 0.000 0.000 0.208 471 D C 0.773 177.062 176.300 -0.018 0.000 0.962 471 D CA 0.773 54.770 54.000 -0.006 0.000 0.865 471 D CB -0.048 40.753 40.800 0.001 0.000 0.939 471 D HN 0.424 nan 8.370 nan 0.000 0.510 472 V N 1.339 121.236 119.914 -0.028 0.000 2.271 472 V HA 0.297 4.417 4.120 0.000 0.000 0.259 472 V C -2.537 173.537 176.094 -0.034 0.000 1.030 472 V CA -1.700 60.574 62.300 -0.043 0.000 0.957 472 V CB 0.656 32.435 31.823 -0.075 0.000 1.186 472 V HN -0.117 nan 8.190 nan 0.000 0.471 473 P HA 0.486 nan 4.420 nan 0.000 0.272 473 P C -0.362 176.931 177.300 -0.012 0.000 1.230 473 P CA 0.079 63.171 63.100 -0.012 0.000 0.788 473 P CB 1.024 32.720 31.700 -0.007 0.000 0.949 474 A N 1.913 124.731 122.820 -0.003 0.000 2.343 474 A HA 0.539 4.859 4.320 0.000 0.000 0.308 474 A C -0.796 176.792 177.584 0.006 0.000 1.092 474 A CA -0.513 51.525 52.037 0.002 0.000 0.751 474 A CB 0.864 19.872 19.000 0.013 0.000 1.203 474 A HN 0.542 nan 8.150 nan 0.000 0.452 475 Q N 2.202 122.005 119.800 0.004 0.000 2.345 475 Q HA 0.611 4.951 4.340 0.000 0.000 0.268 475 Q C -2.481 173.522 176.000 0.005 0.000 1.054 475 Q CA -1.857 53.949 55.803 0.004 0.000 0.835 475 Q CB 1.487 30.227 28.738 0.003 0.000 1.339 475 Q HN 0.562 nan 8.270 nan 0.000 0.447 476 P HA 0.290 nan 4.420 nan 0.000 0.293 476 P C -0.980 176.318 177.300 -0.004 0.000 1.304 476 P CA -0.621 62.478 63.100 -0.002 0.000 0.767 476 P CB 0.610 32.307 31.700 -0.004 0.000 1.247 477 I N -0.264 120.299 120.570 -0.011 0.000 2.359 477 I HA 0.250 4.420 4.170 0.000 0.000 0.294 477 I C -0.122 175.989 176.117 -0.010 0.000 0.987 477 I CA 0.310 61.602 61.300 -0.014 0.000 1.225 477 I CB 1.026 39.009 38.000 -0.030 0.000 1.366 477 I HN 0.199 nan 8.210 nan 0.000 0.466 478 T N 4.715 119.268 114.554 -0.003 0.000 2.771 478 T HA 0.588 4.938 4.350 0.000 0.000 0.281 478 T C 0.027 174.728 174.700 0.002 0.000 0.982 478 T CA -0.792 61.310 62.100 0.004 0.000 0.978 478 T CB 0.925 69.800 68.868 0.012 0.000 0.930 478 T HN 0.642 nan 8.240 nan 0.000 0.447 479 T N 0.188 114.748 114.554 0.010 0.000 2.938 479 T HA 0.715 5.065 4.350 0.000 0.000 0.285 479 T C -0.345 174.383 174.700 0.047 0.000 1.028 479 T CA -0.908 61.199 62.100 0.012 0.000 1.005 479 T CB 1.497 70.365 68.868 -0.001 0.000 1.157 479 T HN 0.400 nan 8.240 nan 0.000 0.550 480 T N 1.558 116.148 114.554 0.059 0.000 2.847 480 T HA 0.324 4.674 4.350 0.000 0.000 0.291 480 T C 0.398 175.204 174.700 0.178 0.000 0.998 480 T CA -0.576 61.588 62.100 0.107 0.000 0.967 480 T CB 0.989 69.903 68.868 0.077 0.000 0.954 480 T HN 0.574 nan 8.240 nan 0.000 0.441 481 F N 3.440 123.435 119.950 0.075 0.000 2.060 481 F HA -0.309 4.218 4.527 0.000 0.000 0.293 481 F C 1.756 177.665 175.800 0.182 0.000 1.096 481 F CA 1.904 59.972 58.000 0.114 0.000 1.241 481 F CB -0.425 38.570 39.000 -0.008 0.000 0.959 481 F HN 0.572 nan 8.300 nan 0.000 0.499 482 L N -0.490 120.798 121.223 0.108 0.000 1.994 482 L HA -0.239 4.101 4.340 0.000 0.000 0.208 482 L C 2.482 179.366 176.870 0.023 0.000 1.071 482 L CA 1.998 56.848 54.840 0.017 0.000 0.745 482 L CB -0.969 41.135 42.059 0.075 0.000 0.892 482 L HN 0.235 nan 8.230 nan 0.000 0.431 483 E N 0.374 120.604 120.200 0.049 0.000 2.147 483 E HA -0.252 4.098 4.350 0.000 0.000 0.199 483 E C 1.820 178.390 176.600 -0.051 0.000 1.005 483 E CA 1.553 57.960 56.400 0.011 0.000 0.810 483 E CB 0.087 29.784 29.700 -0.005 0.000 0.736 483 E HN 0.508 nan 8.360 nan 0.000 0.460 484 R N -1.303 119.161 120.500 -0.060 0.000 2.427 484 R HA 0.146 4.486 4.340 0.000 0.000 0.262 484 R C 0.767 176.799 176.300 -0.447 0.000 0.943 484 R CA 0.204 56.182 56.100 -0.204 0.000 1.081 484 R CB 0.261 30.444 30.300 -0.195 0.000 1.166 484 R HN 0.250 nan 8.270 nan 0.000 0.534 485 H N 0.137 119.057 119.070 -0.250 0.000 3.622 485 H HA 0.233 4.789 4.556 0.000 0.000 0.259 485 H C 0.249 175.462 175.328 -0.192 0.000 1.145 485 H CA -0.511 55.371 56.048 -0.278 0.000 1.178 485 H CB 0.802 30.263 29.762 -0.503 0.000 1.542 485 H HN -0.010 nan 8.280 nan 0.000 0.586 486 L N 3.725 124.928 121.223 -0.033 0.000 2.573 486 L HA -0.018 4.322 4.340 0.000 0.000 0.290 486 L C -1.914 174.928 176.870 -0.047 0.000 1.247 486 L CA -1.160 53.670 54.840 -0.016 0.000 0.876 486 L CB -0.095 41.988 42.059 0.040 0.000 1.123 486 L HN -0.049 nan 8.230 nan 0.000 0.505 487 P HA 0.140 nan 4.420 nan 0.000 0.275 487 P C -0.742 176.501 177.300 -0.095 0.000 1.266 487 P CA -0.600 62.456 63.100 -0.073 0.000 0.793 487 P CB 0.687 32.345 31.700 -0.070 0.000 1.074 488 S N -1.101 114.520 115.700 -0.133 0.000 2.713 488 S HA 0.191 4.661 4.470 0.000 0.000 0.277 488 S C 1.294 175.737 174.600 -0.261 0.000 1.168 488 S CA -0.648 57.444 58.200 -0.181 0.000 0.994 488 S CB -0.026 63.053 63.200 -0.201 0.000 1.054 488 S HN 0.146 nan 8.310 nan 0.000 0.555 489 V N 1.889 121.574 119.914 -0.382 0.000 2.490 489 V HA -0.045 4.075 4.120 0.000 0.000 0.250 489 V C -0.956 174.734 176.094 -0.674 0.000 1.061 489 V CA 1.610 63.624 62.300 -0.476 0.000 1.064 489 V CB -1.774 29.764 31.823 -0.476 0.000 0.670 489 V HN 0.706 nan 8.190 nan 0.000 0.461 490 P HA -0.071 nan 4.420 nan 0.000 0.214 490 P C 1.827 178.938 177.300 -0.315 0.000 1.162 490 P CA 1.738 64.446 63.100 -0.652 0.000 0.874 490 P CB -0.377 31.026 31.700 -0.495 0.000 0.784 491 G N 0.481 109.141 108.800 -0.234 0.000 2.599 491 G HA2 -0.322 3.638 3.960 0.000 0.000 0.219 491 G HA3 -0.322 3.638 3.960 0.000 0.000 0.219 491 G C 1.538 176.363 174.900 -0.124 0.000 1.193 491 G CA 1.163 46.179 45.100 -0.141 0.000 0.778 491 G HN 0.211 nan 8.290 nan 0.000 0.589 492 L N 0.529 121.669 121.223 -0.139 0.000 1.997 492 L HA -0.104 4.236 4.340 0.000 0.000 0.216 492 L C 2.899 179.712 176.870 -0.096 0.000 1.074 492 L CA 1.623 56.402 54.840 -0.101 0.000 0.763 492 L CB -0.499 41.501 42.059 -0.099 0.000 0.890 492 L HN 0.297 nan 8.230 nan 0.000 0.434 493 L N -0.466 120.673 121.223 -0.141 0.000 1.971 493 L HA -0.293 4.047 4.340 0.000 0.000 0.215 493 L C 2.867 179.699 176.870 -0.064 0.000 1.072 493 L CA 2.249 57.029 54.840 -0.101 0.000 0.758 493 L CB -0.834 41.142 42.059 -0.138 0.000 0.889 493 L HN 0.443 nan 8.230 nan 0.000 0.433 494 R N -0.206 120.251 120.500 -0.071 0.000 2.152 494 R HA -0.190 4.150 4.340 0.000 0.000 0.232 494 R C 2.155 178.436 176.300 -0.032 0.000 1.117 494 R CA 1.188 57.264 56.100 -0.040 0.000 0.981 494 R CB -0.619 29.657 30.300 -0.039 0.000 0.870 494 R HN 0.196 nan 8.270 nan 0.000 0.451 495 L N 2.043 123.242 121.223 -0.040 0.000 2.017 495 L HA -0.003 4.337 4.340 0.000 0.000 0.208 495 L C 1.098 177.957 176.870 -0.019 0.000 1.073 495 L CA 1.199 56.022 54.840 -0.028 0.000 0.745 495 L CB -0.500 41.540 42.059 -0.031 0.000 0.894 495 L HN 0.168 nan 8.230 nan 0.000 0.432 496 I N 0.823 121.381 120.570 -0.020 0.000 3.138 496 I HA -0.066 4.104 4.170 0.000 0.000 0.286 496 I C 0.760 176.874 176.117 -0.006 0.000 1.194 496 I CA 0.666 61.959 61.300 -0.011 0.000 1.392 496 I CB -0.833 37.160 38.000 -0.011 0.000 1.476 496 I HN 0.253 nan 8.210 nan 0.000 0.579 497 G N 6.472 115.270 108.800 -0.004 0.000 4.106 497 G HA2 0.321 4.281 3.960 0.000 0.000 0.344 497 G HA3 0.321 4.281 3.960 0.000 0.000 0.344 497 G C 0.475 175.375 174.900 0.001 0.000 1.477 497 G CA -0.443 44.657 45.100 -0.001 0.000 1.068 497 G HN 0.537 nan 8.290 nan 0.000 0.488 498 L N 1.903 123.128 121.223 0.002 0.000 2.201 498 L HA 0.005 4.345 4.340 0.000 0.000 0.212 498 L C 2.504 179.376 176.870 0.004 0.000 1.105 498 L CA 2.181 57.023 54.840 0.003 0.000 0.775 498 L CB -0.951 41.111 42.059 0.005 0.000 0.913 498 L HN 0.356 nan 8.230 nan 0.000 0.440 499 T N -0.082 114.474 114.554 0.004 0.000 2.653 499 T HA -0.201 4.149 4.350 0.000 0.000 0.267 499 T C 1.001 175.703 174.700 0.003 0.000 1.037 499 T CA 1.868 63.970 62.100 0.004 0.000 1.159 499 T CB -0.839 68.032 68.868 0.004 0.000 0.859 499 T HN 0.577 nan 8.240 nan 0.000 0.449 500 T N 0.000 114.556 114.554 0.003 0.000 3.816 500 T HA 0.000 4.350 4.350 0.000 0.000 0.228 500 T CA 0.000 62.102 62.100 0.002 0.000 1.349 500 T CB 0.000 68.869 68.868 0.002 0.000 0.612 500 T HN 0.000 nan 8.240 nan 0.000 0.658