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 2a7s_1_C DATA FIRST_RESID 20 DATA SEQUENCE IDIHTTAGKL AELHKRREES LHPVGEDAVE KVHAKGKLTA RERIYALLDE DATA SEQUENCE DSFVELDALA KHRSTNFNLG EKRPLGDGVV TGYGTIDGRD VCIFSQDATV DATA SEQUENCE FGGSLGEVYG EKIVKVQELA IKTGRPLIGI NDGAGARIQE GVVSLGLYSR DATA SEQUENCE IFRNNILASG VIPQISLIMG AAAGGHVYSP ALTDFVIMVD QTSQMFITGP DATA SEQUENCE DVIKTVTGEE VTMEELGGAH THMAKSGTAH YAASGEQDAF DYVRELLSYL DATA SEQUENCE PPNNSTDAPR YQAAAPTGPI EENLTDEDLE LDTLIPDSPN QPYDMHEVIT DATA SEQUENCE RLLDDEFLEI QAGYAQNIVV GFGRIDGRPV GIVANQPTHF AGCLDINASE DATA SEQUENCE KAARFVRTCD CFNIPIVMLV DVPGFLPGTD QEYNGIIRRG AKLLYAYGEA DATA SEQUENCE TVPKITVITR KAYGGAYCVM GSKDMGCDVN LAWPTAQIAV MGASGAVGFV DATA SEQUENCE YRQQLAEAAA NGEDIDKLRL RLQQEYEDTL VNPYVAAERG YVDAVIPPSH DATA SEQUENCE TRGYIGTALR LLERKIAQLP PKKHGNVPL 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.133 176.117 0.026 0.000 1.063 20 I CA 0.000 61.313 61.300 0.022 0.000 1.566 20 I CB 0.000 38.013 38.000 0.021 0.000 1.214 21 D N 4.140 124.564 120.400 0.039 0.000 2.419 21 D HA 0.015 4.655 4.640 0.000 0.000 0.281 21 D C 1.211 177.537 176.300 0.043 0.000 1.398 21 D CA 0.543 54.583 54.000 0.067 0.000 1.047 21 D CB 0.650 41.496 40.800 0.078 0.000 1.115 21 D HN 0.400 nan 8.370 nan 0.000 0.540 22 I N 3.338 123.901 120.570 -0.011 0.000 2.761 22 I HA -0.291 3.879 4.170 0.000 0.000 0.266 22 I C 0.834 176.826 176.117 -0.209 0.000 1.239 22 I CA 1.148 62.371 61.300 -0.129 0.000 1.451 22 I CB 0.008 37.882 38.000 -0.210 0.000 1.096 22 I HN 0.413 nan 8.210 nan 0.000 0.465 23 H N -0.719 118.352 119.070 0.003 0.000 2.563 23 H HA 0.094 4.650 4.556 0.000 0.000 0.264 23 H C 1.014 176.343 175.328 0.002 0.000 0.957 23 H CA 0.675 56.724 56.048 0.002 0.000 1.173 23 H CB -0.018 29.745 29.762 0.001 0.000 1.420 23 H HN 0.346 nan 8.280 nan 0.000 0.551 24 T N -3.118 111.494 114.554 0.096 0.000 2.902 24 T HA 0.124 4.474 4.350 0.000 0.000 0.280 24 T C 1.476 176.195 174.700 0.033 0.000 0.992 24 T CA -0.436 61.700 62.100 0.060 0.000 1.015 24 T CB 1.684 70.582 68.868 0.049 0.000 1.044 24 T HN -0.017 nan 8.240 nan 0.000 0.520 25 T N 1.246 115.816 114.554 0.027 0.000 2.777 25 T HA -0.010 4.340 4.350 0.000 0.000 0.266 25 T C 2.387 177.098 174.700 0.018 0.000 1.040 25 T CA 1.392 63.502 62.100 0.017 0.000 1.141 25 T CB -0.827 68.050 68.868 0.016 0.000 0.868 25 T HN 0.802 nan 8.240 nan 0.000 0.444 26 A N 1.223 124.057 122.820 0.023 0.000 1.933 26 A HA 0.100 4.420 4.320 0.000 0.000 0.218 26 A C 2.571 180.172 177.584 0.029 0.000 1.175 26 A CA 1.857 53.910 52.037 0.027 0.000 0.628 26 A CB -1.222 17.793 19.000 0.025 0.000 0.814 26 A HN 0.518 nan 8.150 nan 0.000 0.444 27 G N -0.453 108.362 108.800 0.024 0.000 2.403 27 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 27 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 27 G C 1.642 176.546 174.900 0.007 0.000 1.154 27 G CA 0.897 46.008 45.100 0.018 0.000 0.784 27 G HN 0.572 nan 8.290 nan 0.000 0.538 28 K N -0.390 120.009 120.400 -0.002 0.000 2.097 28 K HA 0.004 4.324 4.320 0.000 0.000 0.206 28 K C 2.307 178.900 176.600 -0.012 0.000 1.049 28 K CA 0.866 57.142 56.287 -0.017 0.000 0.933 28 K CB -0.243 32.244 32.500 -0.021 0.000 0.717 28 K HN 0.280 nan 8.250 nan 0.000 0.442 29 L N 1.156 122.383 121.223 0.008 0.000 2.093 29 L HA -0.051 4.289 4.340 0.000 0.000 0.208 29 L C 2.169 179.085 176.870 0.076 0.000 1.085 29 L CA 1.661 56.511 54.840 0.017 0.000 0.755 29 L CB -0.704 41.388 42.059 0.054 0.000 0.904 29 L HN 0.094 nan 8.230 nan 0.000 0.435 30 A N -0.637 122.241 122.820 0.096 0.000 1.933 30 A HA -0.235 4.085 4.320 0.000 0.000 0.218 30 A C 2.237 179.876 177.584 0.091 0.000 1.175 30 A CA 1.633 53.747 52.037 0.130 0.000 0.628 30 A CB -0.668 18.374 19.000 0.070 0.000 0.814 30 A HN 0.567 nan 8.150 nan 0.000 0.444 31 E N 0.199 120.418 120.200 0.031 0.000 2.077 31 E HA -0.149 4.201 4.350 0.000 0.000 0.193 31 E C 1.828 178.419 176.600 -0.015 0.000 0.989 31 E CA 1.149 57.552 56.400 0.004 0.000 0.800 31 E CB -0.448 29.239 29.700 -0.021 0.000 0.746 31 E HN 0.533 nan 8.360 nan 0.000 0.452 32 L N -0.090 121.097 121.223 -0.060 0.000 2.013 32 L HA -0.285 4.055 4.340 0.000 0.000 0.212 32 L C 2.138 178.916 176.870 -0.153 0.000 1.073 32 L CA 2.221 56.978 54.840 -0.138 0.000 0.753 32 L CB -0.354 41.565 42.059 -0.233 0.000 0.890 32 L HN 0.379 nan 8.230 nan 0.000 0.432 33 H N -0.380 118.685 119.070 -0.008 0.000 2.353 33 H HA -0.159 4.397 4.556 0.000 0.000 0.300 33 H C 2.236 177.563 175.328 -0.002 0.000 1.090 33 H CA 1.620 57.666 56.048 -0.003 0.000 1.327 33 H CB 0.063 29.826 29.762 0.002 0.000 1.383 33 H HN 0.251 nan 8.280 nan 0.000 0.508 34 K N 0.487 120.954 120.400 0.111 0.000 2.160 34 K HA -0.154 4.166 4.320 0.000 0.000 0.206 34 K C 2.102 178.716 176.600 0.023 0.000 1.047 34 K CA 1.288 57.612 56.287 0.062 0.000 0.930 34 K CB 0.003 32.528 32.500 0.041 0.000 0.720 34 K HN 0.356 nan 8.250 nan 0.000 0.450 35 R N 0.374 120.873 120.500 -0.001 0.000 2.062 35 R HA 0.014 4.354 4.340 0.000 0.000 0.226 35 R C 2.373 178.651 176.300 -0.037 0.000 1.125 35 R CA 0.717 56.800 56.100 -0.029 0.000 0.966 35 R CB -0.234 30.043 30.300 -0.039 0.000 0.861 35 R HN 0.125 nan 8.270 nan 0.000 0.433 36 R N 0.828 121.314 120.500 -0.023 0.000 2.096 36 R HA -0.157 4.183 4.340 0.000 0.000 0.240 36 R C 2.288 178.584 176.300 -0.007 0.000 1.139 36 R CA 1.353 57.446 56.100 -0.011 0.000 0.952 36 R CB -0.197 30.110 30.300 0.012 0.000 0.854 36 R HN 0.192 nan 8.270 nan 0.000 0.436 37 E N 0.789 121.000 120.200 0.018 0.000 2.038 37 E HA -0.248 4.102 4.350 0.000 0.000 0.195 37 E C 1.851 178.364 176.600 -0.145 0.000 1.000 37 E CA 1.401 57.816 56.400 0.024 0.000 0.803 37 E CB -0.071 29.679 29.700 0.083 0.000 0.750 37 E HN 0.394 nan 8.360 nan 0.000 0.448 38 E N 0.405 120.491 120.200 -0.190 0.000 2.118 38 E HA -0.161 4.189 4.350 0.000 0.000 0.195 38 E C 1.885 178.192 176.600 -0.488 0.000 0.992 38 E CA 1.574 57.723 56.400 -0.418 0.000 0.804 38 E CB -0.090 29.512 29.700 -0.164 0.000 0.741 38 E HN 0.178 nan 8.360 nan 0.000 0.458 39 S N 0.251 115.810 115.700 -0.235 0.000 2.500 39 S HA -0.102 4.368 4.470 0.000 0.000 0.239 39 S C 1.773 176.289 174.600 -0.139 0.000 0.989 39 S CA 0.670 58.784 58.200 -0.144 0.000 0.951 39 S CB -0.385 62.779 63.200 -0.059 0.000 0.759 39 S HN 0.352 nan 8.310 nan 0.000 0.523 40 L N 1.715 122.815 121.223 -0.205 0.000 2.599 40 L HA 0.160 4.500 4.340 0.000 0.000 0.230 40 L C 0.688 177.583 176.870 0.042 0.000 1.141 40 L CA 0.298 55.114 54.840 -0.040 0.000 0.877 40 L CB -0.532 41.583 42.059 0.094 0.000 1.009 40 L HN 0.657 nan 8.230 nan 0.000 0.447 41 H N -3.446 115.617 119.070 -0.010 0.000 3.383 41 H HA 0.126 4.682 4.556 0.000 0.000 0.204 41 H C -2.523 172.792 175.328 -0.022 0.000 1.262 41 H CA -1.030 55.002 56.048 -0.028 0.000 1.350 41 H CB -0.619 29.123 29.762 -0.034 0.000 2.400 41 H HN -0.046 nan 8.280 nan 0.000 0.547 42 P HA -0.147 nan 4.420 nan 0.000 0.219 42 P C 1.069 178.361 177.300 -0.013 0.000 1.144 42 P CA 1.472 64.548 63.100 -0.040 0.000 0.806 42 P CB 0.131 31.820 31.700 -0.019 0.000 0.771 43 V N -5.063 114.852 119.914 0.001 0.000 3.085 43 V HA 0.715 4.835 4.120 0.000 0.000 0.345 43 V C 0.455 176.552 176.094 0.006 0.000 1.397 43 V CA -0.264 62.021 62.300 -0.024 0.000 1.165 43 V CB -0.200 31.581 31.823 -0.070 0.000 1.153 43 V HN 0.291 nan 8.190 nan 0.000 0.495 44 G N 0.735 109.576 108.800 0.068 0.000 2.906 44 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 44 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 44 G C -0.087 174.828 174.900 0.025 0.000 1.170 44 G CA 0.066 45.203 45.100 0.062 0.000 0.775 44 G HN 0.413 nan 8.290 nan 0.000 0.630 45 E N 0.503 120.656 120.200 -0.078 0.000 2.160 45 E HA -0.130 4.220 4.350 0.000 0.000 0.195 45 E C 1.825 178.337 176.600 -0.147 0.000 0.991 45 E CA 2.216 58.459 56.400 -0.261 0.000 0.810 45 E CB -0.005 29.490 29.700 -0.343 0.000 0.742 45 E HN 0.602 nan 8.360 nan 0.000 0.466 46 D N -0.839 119.507 120.400 -0.091 0.000 2.183 46 D HA -0.056 4.584 4.640 0.000 0.000 0.203 46 D C 1.792 178.048 176.300 -0.074 0.000 0.969 46 D CA 1.255 55.211 54.000 -0.074 0.000 0.842 46 D CB -0.159 40.611 40.800 -0.049 0.000 0.957 46 D HN 0.259 nan 8.370 nan 0.000 0.484 47 A N -0.112 122.671 122.820 -0.063 0.000 1.940 47 A HA -0.138 4.182 4.320 0.000 0.000 0.219 47 A C 2.421 179.947 177.584 -0.098 0.000 1.176 47 A CA 1.598 53.597 52.037 -0.062 0.000 0.631 47 A CB -0.828 18.145 19.000 -0.045 0.000 0.814 47 A HN 0.224 nan 8.150 nan 0.000 0.446 48 V N -0.257 119.576 119.914 -0.134 0.000 2.358 48 V HA -0.232 3.888 4.120 0.000 0.000 0.246 48 V C 2.536 178.411 176.094 -0.365 0.000 1.047 48 V CA 2.331 64.478 62.300 -0.255 0.000 1.035 48 V CB -0.739 30.925 31.823 -0.265 0.000 0.658 48 V HN 0.653 nan 8.190 nan 0.000 0.452 49 E N 0.608 120.671 120.200 -0.229 0.000 2.058 49 E HA -0.217 4.133 4.350 0.000 0.000 0.194 49 E C 2.250 178.802 176.600 -0.080 0.000 0.997 49 E CA 1.345 57.659 56.400 -0.143 0.000 0.801 49 E CB -0.191 29.464 29.700 -0.075 0.000 0.746 49 E HN 0.343 nan 8.360 nan 0.000 0.450 50 K N -0.084 120.274 120.400 -0.070 0.000 2.074 50 K HA -0.117 4.203 4.320 0.000 0.000 0.209 50 K C 2.185 178.773 176.600 -0.020 0.000 1.048 50 K CA 1.238 57.504 56.287 -0.034 0.000 0.926 50 K CB -0.710 31.770 32.500 -0.034 0.000 0.713 50 K HN 0.146 nan 8.250 nan 0.000 0.444 51 V N 1.028 120.910 119.914 -0.054 0.000 2.343 51 V HA -0.218 3.902 4.120 0.000 0.000 0.247 51 V C 2.199 178.352 176.094 0.098 0.000 1.051 51 V CA 1.700 63.994 62.300 -0.010 0.000 1.036 51 V CB -0.642 31.149 31.823 -0.053 0.000 0.654 51 V HN 0.276 nan 8.190 nan 0.000 0.451 52 H N 0.461 119.525 119.070 -0.011 0.000 2.389 52 H HA 0.066 4.622 4.556 0.000 0.000 0.299 52 H C 2.330 177.653 175.328 -0.008 0.000 1.081 52 H CA 1.175 57.218 56.048 -0.009 0.000 1.345 52 H CB -0.711 29.045 29.762 -0.010 0.000 1.393 52 H HN 0.427 nan 8.280 nan 0.000 0.520 53 A N 1.081 123.971 122.820 0.117 0.000 2.024 53 A HA -0.169 4.151 4.320 0.000 0.000 0.220 53 A C 2.086 179.695 177.584 0.041 0.000 1.164 53 A CA 1.439 53.512 52.037 0.059 0.000 0.643 53 A CB -0.251 18.768 19.000 0.032 0.000 0.806 53 A HN 0.331 nan 8.150 nan 0.000 0.451 54 K N -1.634 118.793 120.400 0.044 0.000 2.426 54 K HA 0.193 4.513 4.320 0.000 0.000 0.193 54 K C 1.074 177.690 176.600 0.026 0.000 1.028 54 K CA 0.474 56.777 56.287 0.027 0.000 1.047 54 K CB -0.033 32.481 32.500 0.023 0.000 0.821 54 K HN 0.650 nan 8.250 nan 0.000 0.513 55 G N 2.256 111.080 108.800 0.040 0.000 2.148 55 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 55 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 55 G C -0.229 174.685 174.900 0.022 0.000 0.981 55 G CA 0.272 45.383 45.100 0.018 0.000 0.670 55 G HN 0.263 nan 8.290 nan 0.000 0.528 56 K N -0.484 119.950 120.400 0.057 0.000 2.095 56 K HA 0.755 5.075 4.320 0.000 0.000 0.252 56 K C 0.596 177.264 176.600 0.114 0.000 0.977 56 K CA -0.729 55.594 56.287 0.061 0.000 0.900 56 K CB 1.227 33.758 32.500 0.050 0.000 1.060 56 K HN 0.170 nan 8.250 nan 0.000 0.449 57 L N 0.983 122.264 121.223 0.096 0.000 2.344 57 L HA 0.341 4.681 4.340 0.000 0.000 0.272 57 L C 0.607 177.534 176.870 0.094 0.000 1.035 57 L CA -0.970 53.940 54.840 0.115 0.000 0.807 57 L CB 1.527 43.637 42.059 0.084 0.000 1.237 57 L HN 0.768 nan 8.230 nan 0.000 0.442 58 T N -1.549 113.053 114.554 0.080 0.000 2.860 58 T HA 0.271 4.621 4.350 0.000 0.000 0.299 58 T C 1.279 175.948 174.700 -0.052 0.000 1.045 58 T CA -0.120 61.977 62.100 -0.004 0.000 1.071 58 T CB 1.441 70.282 68.868 -0.045 0.000 0.985 58 T HN 0.685 nan 8.240 nan 0.000 0.537 59 A N 1.657 124.449 122.820 -0.047 0.000 1.909 59 A HA -0.265 4.055 4.320 0.000 0.000 0.221 59 A C 2.462 179.957 177.584 -0.149 0.000 1.223 59 A CA 2.377 54.377 52.037 -0.061 0.000 0.658 59 A CB -1.029 17.951 19.000 -0.032 0.000 0.831 59 A HN 0.972 nan 8.150 nan 0.000 0.462 60 R N -0.452 119.923 120.500 -0.208 0.000 2.073 60 R HA -0.173 4.167 4.340 0.000 0.000 0.234 60 R C 2.140 178.030 176.300 -0.684 0.000 1.134 60 R CA 1.841 57.700 56.100 -0.401 0.000 0.952 60 R CB -0.306 29.765 30.300 -0.382 0.000 0.850 60 R HN 0.729 nan 8.270 nan 0.000 0.433 61 E N -0.296 119.599 120.200 -0.509 0.000 2.110 61 E HA -0.193 4.157 4.350 0.000 0.000 0.193 61 E C 2.173 178.630 176.600 -0.239 0.000 0.988 61 E CA 1.139 57.290 56.400 -0.414 0.000 0.804 61 E CB 0.022 29.633 29.700 -0.148 0.000 0.745 61 E HN 0.318 nan 8.360 nan 0.000 0.458 62 R N 0.361 120.756 120.500 -0.174 0.000 2.091 62 R HA -0.141 4.199 4.340 0.000 0.000 0.238 62 R C 2.375 178.421 176.300 -0.424 0.000 1.136 62 R CA 1.241 57.243 56.100 -0.163 0.000 0.959 62 R CB -0.326 29.994 30.300 0.034 0.000 0.856 62 R HN 0.224 nan 8.270 nan 0.000 0.437 63 I N -0.354 120.007 120.570 -0.348 0.000 2.179 63 I HA -0.321 3.849 4.170 0.000 0.000 0.242 63 I C 1.955 177.950 176.117 -0.204 0.000 1.088 63 I CA 1.567 62.642 61.300 -0.375 0.000 1.357 63 I CB -0.462 37.187 38.000 -0.585 0.000 1.051 63 I HN 0.247 nan 8.210 nan 0.000 0.409 64 Y N 0.755 120.845 120.300 -0.349 0.000 2.207 64 Y HA -0.300 4.250 4.550 0.000 0.000 0.287 64 Y C 2.754 178.525 175.900 -0.214 0.000 1.156 64 Y CA 0.392 58.362 58.100 -0.217 0.000 1.182 64 Y CB -0.406 37.980 38.460 -0.123 0.000 0.979 64 Y HN 0.209 nan 8.280 nan 0.000 0.521 65 A N 0.116 122.866 122.820 -0.116 0.000 1.877 65 A HA -0.194 4.126 4.320 0.000 0.000 0.216 65 A C 2.109 179.508 177.584 -0.309 0.000 1.186 65 A CA 1.596 53.518 52.037 -0.193 0.000 0.620 65 A CB -0.910 17.959 19.000 -0.218 0.000 0.822 65 A HN 0.406 nan 8.150 nan 0.000 0.443 66 L N -0.180 120.692 121.223 -0.584 0.000 2.007 66 L HA 0.141 4.481 4.340 0.000 0.000 0.205 66 L C 1.022 177.777 176.870 -0.192 0.000 1.073 66 L CA 1.126 55.697 54.840 -0.448 0.000 0.744 66 L CB -0.567 41.155 42.059 -0.562 0.000 0.898 66 L HN 0.363 nan 8.230 nan 0.000 0.435 67 L N 0.557 121.681 121.223 -0.166 0.000 2.473 67 L HA 0.050 4.390 4.340 0.000 0.000 0.268 67 L C 0.019 176.857 176.870 -0.054 0.000 1.215 67 L CA -0.612 54.184 54.840 -0.073 0.000 0.823 67 L CB -0.221 41.818 42.059 -0.034 0.000 1.099 67 L HN 0.163 nan 8.230 nan 0.000 0.483 68 D N 0.948 121.332 120.400 -0.027 0.000 2.423 68 D HA -0.016 4.624 4.640 0.000 0.000 0.238 68 D C 0.220 176.499 176.300 -0.036 0.000 1.142 68 D CA 0.064 54.049 54.000 -0.025 0.000 0.884 68 D CB 0.494 41.285 40.800 -0.014 0.000 1.199 68 D HN 0.419 nan 8.370 nan 0.000 0.438 69 E N 1.334 121.512 120.200 -0.037 0.000 2.652 69 E HA -0.144 4.206 4.350 0.000 0.000 0.255 69 E C -0.498 176.065 176.600 -0.062 0.000 0.952 69 E CA 0.136 56.505 56.400 -0.052 0.000 0.947 69 E CB 0.149 29.828 29.700 -0.035 0.000 0.912 69 E HN 0.269 nan 8.360 nan 0.000 0.489 70 D N 2.841 123.179 120.400 -0.103 0.000 2.828 70 D HA -0.159 4.481 4.640 0.000 0.000 0.241 70 D C -0.155 176.105 176.300 -0.067 0.000 1.142 70 D CA 1.333 55.271 54.000 -0.102 0.000 0.755 70 D CB -1.377 39.379 40.800 -0.072 0.000 1.014 70 D HN 0.439 nan 8.370 nan 0.000 0.420 71 S N -0.934 114.735 115.700 -0.051 0.000 3.067 71 S HA 0.183 4.653 4.470 0.000 0.000 0.253 71 S C -0.288 174.324 174.600 0.020 0.000 0.942 71 S CA -0.750 57.442 58.200 -0.013 0.000 1.197 71 S CB 0.090 63.295 63.200 0.008 0.000 1.143 71 S HN 0.154 nan 8.310 nan 0.000 0.638 72 F N 2.578 122.420 119.950 -0.179 0.000 2.420 72 F HA 0.748 5.275 4.527 0.000 0.000 0.342 72 F C -0.818 174.831 175.800 -0.252 0.000 1.113 72 F CA -1.107 56.778 58.000 -0.193 0.000 1.059 72 F CB 1.849 40.745 39.000 -0.174 0.000 1.128 72 F HN -0.004 nan 8.300 nan 0.000 0.475 73 V N 6.313 125.394 119.914 -1.389 0.000 2.304 73 V HA 0.208 4.328 4.120 0.000 0.000 0.278 73 V C -0.048 175.165 176.094 -1.468 0.000 1.018 73 V CA -0.896 60.631 62.300 -1.288 0.000 0.814 73 V CB 0.978 32.018 31.823 -1.305 0.000 1.021 73 V HN 0.794 nan 8.190 nan 0.000 0.440 74 E N 4.080 123.615 120.200 -1.108 0.000 2.415 74 E HA 0.364 4.714 4.350 0.000 0.000 0.262 74 E C -1.059 175.362 176.600 -0.298 0.000 1.038 74 E CA -0.110 55.965 56.400 -0.541 0.000 0.921 74 E CB 0.737 30.365 29.700 -0.121 0.000 0.950 74 E HN 0.554 nan 8.360 nan 0.000 0.438 75 L N 3.300 124.452 121.223 -0.118 0.000 2.362 75 L HA 0.265 4.605 4.340 0.000 0.000 0.271 75 L C -0.560 176.309 176.870 -0.003 0.000 1.002 75 L CA -0.877 53.937 54.840 -0.042 0.000 0.818 75 L CB 1.756 43.825 42.059 0.016 0.000 1.298 75 L HN 0.657 nan 8.230 nan 0.000 0.420 76 D N 1.648 122.044 120.400 -0.006 0.000 2.708 76 D HA -0.224 4.416 4.640 0.000 0.000 0.236 76 D C 1.095 177.399 176.300 0.007 0.000 1.146 76 D CA 1.090 55.090 54.000 0.001 0.000 0.662 76 D CB -0.515 40.289 40.800 0.007 0.000 1.059 76 D HN 0.746 nan 8.370 nan 0.000 0.428 77 A N -0.634 122.185 122.820 -0.001 0.000 1.969 77 A HA -0.046 4.274 4.320 0.000 0.000 0.218 77 A C 1.841 179.426 177.584 0.002 0.000 1.169 77 A CA 0.812 52.855 52.037 0.010 0.000 0.635 77 A CB 0.096 19.098 19.000 0.003 0.000 0.810 77 A HN 0.242 nan 8.150 nan 0.000 0.445 78 L N -0.293 120.924 121.223 -0.009 0.000 2.791 78 L HA 0.393 4.733 4.340 0.000 0.000 0.239 78 L C 1.063 177.929 176.870 -0.007 0.000 1.203 78 L CA 0.023 54.855 54.840 -0.014 0.000 1.002 78 L CB -0.677 41.366 42.059 -0.027 0.000 1.295 78 L HN 0.311 nan 8.230 nan 0.000 0.504 79 A N 0.211 123.034 122.820 0.005 0.000 2.406 79 A HA 0.535 4.855 4.320 0.000 0.000 0.243 79 A C 0.359 177.957 177.584 0.024 0.000 1.082 79 A CA 0.034 52.078 52.037 0.012 0.000 0.786 79 A CB 0.370 19.384 19.000 0.022 0.000 1.029 79 A HN 0.291 nan 8.150 nan 0.000 0.495 80 K N 0.155 120.566 120.400 0.017 0.000 2.527 80 K HA 0.329 4.649 4.320 0.000 0.000 0.260 80 K C -1.223 175.385 176.600 0.013 0.000 0.937 80 K CA -0.776 55.516 56.287 0.009 0.000 0.826 80 K CB 1.739 34.206 32.500 -0.056 0.000 1.359 80 K HN 1.007 nan 8.250 nan 0.000 0.434 81 H N 0.403 119.507 119.070 0.056 0.000 2.790 81 H HA 0.105 4.661 4.556 0.000 0.000 0.358 81 H C 0.170 175.501 175.328 0.005 0.000 1.103 81 H CA -0.110 55.951 56.048 0.023 0.000 1.426 81 H CB 0.693 30.459 29.762 0.006 0.000 1.424 81 H HN 0.590 nan 8.280 nan 0.000 0.599 82 R N 2.159 122.736 120.500 0.129 0.000 2.696 82 R HA 0.278 4.618 4.340 0.000 0.000 0.355 82 R C -0.487 175.882 176.300 0.114 0.000 1.138 82 R CA -0.466 55.665 56.100 0.051 0.000 1.059 82 R CB 0.105 30.412 30.300 0.012 0.000 1.380 82 R HN 0.395 nan 8.270 nan 0.000 0.578 83 S N 0.582 116.466 115.700 0.307 0.000 2.565 83 S HA 0.284 4.754 4.470 0.000 0.000 0.290 83 S C 0.613 175.300 174.600 0.144 0.000 1.150 83 S CA -0.381 57.900 58.200 0.135 0.000 1.058 83 S CB 1.504 64.701 63.200 -0.005 0.000 1.032 83 S HN 0.421 nan 8.310 nan 0.000 0.510 84 T N 0.552 115.123 114.554 0.027 0.000 3.231 84 T HA 0.319 4.669 4.350 0.000 0.000 0.292 84 T C -0.107 174.555 174.700 -0.063 0.000 1.001 84 T CA -0.616 61.493 62.100 0.014 0.000 0.920 84 T CB -0.388 68.478 68.868 -0.004 0.000 1.140 84 T HN 0.469 nan 8.240 nan 0.000 0.525 85 N N 2.327 120.947 118.700 -0.133 0.000 2.520 85 N HA 0.297 5.037 4.740 0.000 0.000 0.273 85 N C -0.303 175.089 175.510 -0.197 0.000 1.155 85 N CA -0.295 52.548 53.050 -0.344 0.000 0.967 85 N CB -0.021 38.191 38.487 -0.458 0.000 1.092 85 N HN 0.224 nan 8.380 nan 0.000 0.457 86 F N 0.333 120.278 119.950 -0.009 0.000 2.943 86 F HA -0.306 4.221 4.527 0.000 0.000 0.258 86 F C 0.822 176.630 175.800 0.013 0.000 0.995 86 F CA 0.097 58.096 58.000 -0.002 0.000 0.896 86 F CB -2.598 36.394 39.000 -0.013 0.000 0.821 86 F HN 0.714 nan 8.300 nan 0.000 0.828 87 N N -1.318 117.462 118.700 0.133 0.000 2.708 87 N HA -0.271 4.469 4.740 0.000 0.000 0.249 87 N C 1.135 176.730 175.510 0.140 0.000 1.097 87 N CA 0.461 53.581 53.050 0.117 0.000 0.710 87 N CB -0.601 37.956 38.487 0.116 0.000 1.032 87 N HN 0.473 nan 8.380 nan 0.000 0.551 88 L N -0.276 121.023 121.223 0.126 0.000 2.395 88 L HA 0.113 4.453 4.340 0.000 0.000 0.218 88 L C 2.154 179.185 176.870 0.268 0.000 1.130 88 L CA 1.650 56.555 54.840 0.109 0.000 0.826 88 L CB -0.160 41.851 42.059 -0.080 0.000 0.941 88 L HN 0.280 nan 8.230 nan 0.000 0.451 89 G N -1.573 107.372 108.800 0.240 0.000 2.744 89 G HA2 -0.188 3.772 3.960 0.000 0.000 0.211 89 G HA3 -0.188 3.772 3.960 0.000 0.000 0.211 89 G C 1.349 176.346 174.900 0.161 0.000 1.143 89 G CA 0.422 45.661 45.100 0.230 0.000 0.788 89 G HN 0.356 nan 8.290 nan 0.000 0.534 90 E N 0.298 120.598 120.200 0.168 0.000 2.031 90 E HA -0.029 4.321 4.350 0.000 0.000 0.193 90 E C 1.238 177.921 176.600 0.138 0.000 0.994 90 E CA 0.922 57.398 56.400 0.127 0.000 0.800 90 E CB 0.045 29.818 29.700 0.122 0.000 0.752 90 E HN 0.310 nan 8.360 nan 0.000 0.447 91 K N 0.145 120.676 120.400 0.218 0.000 2.307 91 K HA 0.323 4.643 4.320 0.000 0.000 0.263 91 K C -0.981 175.822 176.600 0.339 0.000 0.973 91 K CA -0.478 55.932 56.287 0.204 0.000 0.846 91 K CB 0.802 33.387 32.500 0.141 0.000 1.100 91 K HN -0.098 nan 8.250 nan 0.000 0.438 92 R N 5.085 125.692 120.500 0.178 0.000 2.547 92 R HA 0.250 4.590 4.340 0.000 0.000 0.280 92 R C -2.485 173.880 176.300 0.108 0.000 1.630 92 R CA -1.639 54.541 56.100 0.134 0.000 1.470 92 R CB 1.294 31.507 30.300 -0.145 0.000 1.178 92 R HN 0.520 nan 8.270 nan 0.000 0.591 93 P HA 0.088 nan 4.420 nan 0.000 0.275 93 P C -0.045 177.305 177.300 0.084 0.000 1.227 93 P CA -0.259 62.892 63.100 0.084 0.000 0.781 93 P CB 1.140 32.871 31.700 0.051 0.000 0.906 94 L N 1.816 123.057 121.223 0.030 0.000 2.453 94 L HA 0.256 4.596 4.340 0.000 0.000 0.272 94 L C 1.865 178.758 176.870 0.037 0.000 1.182 94 L CA 1.075 55.926 54.840 0.018 0.000 0.858 94 L CB -0.407 41.640 42.059 -0.021 0.000 1.120 94 L HN 0.860 nan 8.230 nan 0.000 0.474 95 G N 1.343 110.170 108.800 0.045 0.000 2.336 95 G HA2 -0.332 3.628 3.960 0.000 0.000 0.233 95 G HA3 -0.332 3.628 3.960 0.000 0.000 0.233 95 G C 0.487 175.441 174.900 0.089 0.000 1.053 95 G CA 0.269 45.399 45.100 0.051 0.000 0.625 95 G HN 0.795 nan 8.290 nan 0.000 0.511 96 D N -0.663 119.827 120.400 0.150 0.000 2.835 96 D HA 0.171 4.811 4.640 0.000 0.000 0.230 96 D C 1.391 177.881 176.300 0.316 0.000 1.130 96 D CA 2.897 57.051 54.000 0.257 0.000 0.738 96 D CB -1.430 39.507 40.800 0.229 0.000 1.090 96 D HN 2.258 nan 8.370 nan 0.000 0.433 97 G N -0.928 108.010 108.800 0.230 0.000 2.367 97 G HA2 0.083 4.043 3.960 0.000 0.000 0.295 97 G HA3 0.083 4.043 3.960 0.000 0.000 0.295 97 G C -0.003 174.968 174.900 0.118 0.000 1.019 97 G CA 0.614 45.854 45.100 0.233 0.000 1.224 97 G HN 1.381 nan 8.290 nan 0.000 0.510 98 V N 0.118 120.025 119.914 -0.012 0.000 2.841 98 V HA 0.347 4.467 4.120 0.000 0.000 0.251 98 V C -0.488 175.579 176.094 -0.043 0.000 1.757 98 V CA -0.355 61.855 62.300 -0.150 0.000 0.865 98 V CB 1.707 33.177 31.823 -0.587 0.000 1.254 98 V HN 0.939 nan 8.190 nan 0.000 0.483 99 V N 6.017 125.939 119.914 0.014 0.000 2.435 99 V HA 0.869 4.989 4.120 0.000 0.000 0.290 99 V C 0.384 176.576 176.094 0.164 0.000 1.030 99 V CA 0.215 62.565 62.300 0.083 0.000 0.881 99 V CB 1.930 33.783 31.823 0.049 0.000 0.983 99 V HN 1.060 nan 8.190 nan 0.000 0.445 100 T N 0.882 115.571 114.554 0.225 0.000 2.901 100 T HA 0.988 5.338 4.350 0.000 0.000 0.293 100 T C -0.094 174.809 174.700 0.339 0.000 1.084 100 T CA -0.227 62.036 62.100 0.272 0.000 1.008 100 T CB 2.225 71.184 68.868 0.152 0.000 1.170 100 T HN 1.512 nan 8.240 nan 0.000 0.509 101 G N 0.180 109.176 108.800 0.327 0.000 2.356 101 G HA2 0.446 4.406 3.960 0.000 0.000 0.288 101 G HA3 0.446 4.406 3.960 0.000 0.000 0.288 101 G C -1.912 173.144 174.900 0.260 0.000 1.302 101 G CA -0.486 44.683 45.100 0.115 0.000 0.887 101 G HN 1.214 nan 8.290 nan 0.000 0.521 102 Y N -1.489 118.836 120.300 0.042 0.000 2.659 102 Y HA 0.960 5.510 4.550 0.000 0.000 0.333 102 Y C 0.703 176.686 175.900 0.138 0.000 1.064 102 Y CA -0.772 57.389 58.100 0.102 0.000 1.141 102 Y CB 1.424 39.900 38.460 0.027 0.000 1.316 102 Y HN 1.675 nan 8.280 nan 0.000 0.509 103 G N -0.521 108.470 108.800 0.318 0.000 2.435 103 G HA2 0.504 4.465 3.960 0.000 0.000 0.296 103 G HA3 0.504 4.465 3.960 0.000 0.000 0.296 103 G C -1.448 173.544 174.900 0.154 0.000 1.240 103 G CA -0.387 44.841 45.100 0.213 0.000 0.872 103 G HN 1.211 nan 8.290 nan 0.000 0.480 104 T N -2.035 112.575 114.554 0.093 0.000 2.916 104 T HA 0.732 5.082 4.350 0.000 0.000 0.305 104 T C -1.107 173.607 174.700 0.023 0.000 1.119 104 T CA -0.594 61.538 62.100 0.053 0.000 1.008 104 T CB 1.899 70.791 68.868 0.040 0.000 1.129 104 T HN 0.671 nan 8.240 nan 0.000 0.480 105 I N 2.465 123.040 120.570 0.008 0.000 2.493 105 I HA 0.331 4.501 4.170 0.000 0.000 0.279 105 I C -0.484 175.622 176.117 -0.018 0.000 1.045 105 I CA -0.380 60.914 61.300 -0.010 0.000 1.106 105 I CB 1.209 39.200 38.000 -0.016 0.000 1.216 105 I HN 0.806 nan 8.210 nan 0.000 0.459 106 D N 4.367 124.756 120.400 -0.017 0.000 2.981 106 D HA -0.154 4.486 4.640 0.000 0.000 0.203 106 D C 0.977 177.267 176.300 -0.017 0.000 1.049 106 D CA 1.799 55.786 54.000 -0.021 0.000 1.003 106 D CB -1.012 39.772 40.800 -0.028 0.000 1.085 106 D HN 1.012 nan 8.370 nan 0.000 0.432 107 G N -0.507 108.287 108.800 -0.010 0.000 2.192 107 G HA2 -0.256 3.704 3.960 0.000 0.000 0.193 107 G HA3 -0.256 3.704 3.960 0.000 0.000 0.193 107 G C 0.175 175.074 174.900 -0.002 0.000 0.999 107 G CA 0.043 45.139 45.100 -0.006 0.000 0.659 107 G HN 0.419 nan 8.290 nan 0.000 0.503 108 R N 0.808 121.307 120.500 -0.002 0.000 2.532 108 R HA 0.533 4.873 4.340 0.000 0.000 0.295 108 R C -1.039 175.269 176.300 0.014 0.000 0.968 108 R CA -0.918 55.182 56.100 -0.000 0.000 0.916 108 R CB 0.955 31.248 30.300 -0.012 0.000 1.124 108 R HN 0.075 nan 8.270 nan 0.000 0.463 109 D N 1.664 122.075 120.400 0.018 0.000 2.382 109 D HA 0.251 4.891 4.640 0.000 0.000 0.245 109 D C -0.237 176.089 176.300 0.044 0.000 1.120 109 D CA 0.130 54.154 54.000 0.039 0.000 0.890 109 D CB 1.252 42.062 40.800 0.018 0.000 1.201 109 D HN 0.256 nan 8.370 nan 0.000 0.433 110 V N -1.318 118.646 119.914 0.082 0.000 3.147 110 V HA 0.609 4.729 4.120 0.000 0.000 0.306 110 V C -0.832 175.355 176.094 0.155 0.000 1.209 110 V CA -0.985 61.368 62.300 0.090 0.000 1.023 110 V CB 1.662 33.524 31.823 0.065 0.000 1.059 110 V HN 0.602 nan 8.190 nan 0.000 0.435 111 C N 3.044 122.436 119.300 0.154 0.000 2.417 111 C HA 0.899 5.359 4.460 0.000 0.000 0.324 111 C C -0.115 175.003 174.990 0.212 0.000 1.240 111 C CA -0.355 58.792 59.018 0.214 0.000 1.632 111 C CB 0.324 28.176 27.740 0.187 0.000 2.241 111 C HN 1.009 nan 8.230 nan 0.000 0.499 112 I N 2.550 123.273 120.570 0.256 0.000 3.006 112 I HA 0.802 4.972 4.170 0.000 0.000 0.306 112 I C -1.718 174.571 176.117 0.288 0.000 1.250 112 I CA -0.790 60.626 61.300 0.193 0.000 0.996 112 I CB 1.957 39.994 38.000 0.062 0.000 1.261 112 I HN 0.773 nan 8.210 nan 0.000 0.442 113 F N 3.334 123.323 119.950 0.066 0.000 2.588 113 F HA 0.720 5.247 4.527 0.000 0.000 0.314 113 F C -1.305 174.501 175.800 0.010 0.000 1.134 113 F CA -0.795 57.228 58.000 0.038 0.000 0.961 113 F CB 1.379 40.400 39.000 0.034 0.000 1.239 113 F HN 0.250 nan 8.300 nan 0.000 0.448 114 S N 2.819 118.527 115.700 0.013 0.000 2.605 114 S HA 0.426 4.896 4.470 0.000 0.000 0.308 114 S C -1.086 173.537 174.600 0.038 0.000 1.113 114 S CA -0.579 57.589 58.200 -0.054 0.000 1.049 114 S CB 1.064 64.203 63.200 -0.101 0.000 1.001 114 S HN 0.763 nan 8.310 nan 0.000 0.480 115 Q N 2.744 122.593 119.800 0.081 0.000 2.286 115 Q HA 0.235 4.575 4.340 0.000 0.000 0.257 115 Q C -0.829 175.223 176.000 0.087 0.000 0.941 115 Q CA -0.453 55.417 55.803 0.112 0.000 0.912 115 Q CB 0.756 29.647 28.738 0.255 0.000 1.192 115 Q HN 0.524 nan 8.270 nan 0.000 0.410 116 D N 1.476 121.933 120.400 0.095 0.000 2.380 116 D HA 0.206 4.846 4.640 0.000 0.000 0.230 116 D C 0.153 176.518 176.300 0.108 0.000 1.154 116 D CA -0.187 53.859 54.000 0.077 0.000 0.859 116 D CB 1.257 42.093 40.800 0.060 0.000 1.045 116 D HN 0.668 nan 8.370 nan 0.000 0.495 117 A N 2.830 125.692 122.820 0.070 0.000 2.209 117 A HA -0.089 4.231 4.320 0.000 0.000 0.212 117 A C 1.874 179.485 177.584 0.044 0.000 1.158 117 A CA 1.307 53.381 52.037 0.062 0.000 0.742 117 A CB -0.385 18.634 19.000 0.031 0.000 0.790 117 A HN 0.609 nan 8.150 nan 0.000 0.472 118 T N -3.374 111.195 114.554 0.025 0.000 3.088 118 T HA 0.191 4.541 4.350 0.000 0.000 0.259 118 T C 0.337 175.017 174.700 -0.034 0.000 1.122 118 T CA 0.491 62.587 62.100 -0.007 0.000 1.095 118 T CB -0.283 68.572 68.868 -0.022 0.000 0.930 118 T HN -0.007 nan 8.240 nan 0.000 0.508 119 V N 2.664 122.581 119.914 0.005 0.000 2.328 119 V HA 0.411 4.531 4.120 0.000 0.000 0.278 119 V C -0.240 175.906 176.094 0.086 0.000 1.021 119 V CA -0.990 61.281 62.300 -0.049 0.000 0.838 119 V CB -0.419 31.442 31.823 0.062 0.000 0.999 119 V HN 0.486 nan 8.190 nan 0.000 0.447 120 F N 3.467 123.450 119.950 0.055 0.000 3.090 120 F HA -0.237 4.290 4.527 0.000 0.000 0.282 120 F C 1.698 177.517 175.800 0.032 0.000 0.923 120 F CA 1.200 59.221 58.000 0.034 0.000 0.977 120 F CB -1.703 37.308 39.000 0.018 0.000 0.954 120 F HN 0.903 nan 8.300 nan 0.000 0.695 121 G N -1.152 107.735 108.800 0.144 0.000 2.168 121 G HA2 0.101 4.061 3.960 0.000 0.000 0.257 121 G HA3 0.101 4.061 3.960 0.000 0.000 0.257 121 G C 1.662 176.622 174.900 0.101 0.000 0.997 121 G CA 1.120 46.280 45.100 0.100 0.000 0.708 121 G HN 2.187 nan 8.290 nan 0.000 0.520 122 G N -1.833 107.065 108.800 0.163 0.000 2.184 122 G HA2 -0.101 3.859 3.960 0.000 0.000 0.264 122 G HA3 -0.101 3.859 3.960 0.000 0.000 0.264 122 G C 0.618 175.638 174.900 0.200 0.000 0.975 122 G CA 0.807 46.031 45.100 0.207 0.000 0.642 122 G HN 1.797 nan 8.290 nan 0.000 0.536 123 S N -0.069 115.706 115.700 0.126 0.000 2.552 123 S HA 0.367 4.837 4.470 0.000 0.000 0.289 123 S C 0.562 174.949 174.600 -0.355 0.000 1.304 123 S CA 0.001 58.218 58.200 0.028 0.000 1.063 123 S CB 1.357 64.567 63.200 0.016 0.000 0.848 123 S HN 0.837 nan 8.310 nan 0.000 0.499 124 L N 3.718 124.627 121.223 -0.524 0.000 2.367 124 L HA 0.607 4.947 4.340 0.000 0.000 0.275 124 L C 0.643 177.075 176.870 -0.729 0.000 1.129 124 L CA 0.161 54.269 54.840 -1.221 0.000 0.839 124 L CB 0.134 41.612 42.059 -0.969 0.000 1.133 124 L HN 0.691 nan 8.230 nan 0.000 0.453 125 G N 2.650 111.095 108.800 -0.592 0.000 3.209 125 G HA2 0.211 4.171 3.960 0.000 0.000 0.236 125 G HA3 0.211 4.171 3.960 0.000 0.000 0.236 125 G C 0.032 174.813 174.900 -0.198 0.000 1.329 125 G CA -0.087 44.823 45.100 -0.317 0.000 1.015 125 G HN 0.710 nan 8.290 nan 0.000 0.571 126 E N -1.308 118.817 120.200 -0.125 0.000 2.008 126 E HA -0.103 4.247 4.350 0.000 0.000 0.191 126 E C 2.607 179.198 176.600 -0.015 0.000 0.986 126 E CA 1.100 57.451 56.400 -0.082 0.000 0.807 126 E CB -0.121 29.541 29.700 -0.062 0.000 0.766 126 E HN 0.146 nan 8.360 nan 0.000 0.450 127 V N 0.955 120.891 119.914 0.035 0.000 2.407 127 V HA -0.260 3.860 4.120 0.000 0.000 0.248 127 V C 2.172 178.327 176.094 0.101 0.000 1.055 127 V CA 1.970 64.307 62.300 0.061 0.000 1.049 127 V CB -0.744 31.131 31.823 0.086 0.000 0.662 127 V HN 0.409 nan 8.190 nan 0.000 0.455 128 Y N 2.042 122.325 120.300 -0.027 0.000 2.097 128 Y HA -0.200 4.350 4.550 0.000 0.000 0.282 128 Y C 2.362 178.215 175.900 -0.078 0.000 1.152 128 Y CA 1.823 59.910 58.100 -0.022 0.000 1.136 128 Y CB -0.977 37.475 38.460 -0.014 0.000 0.975 128 Y HN 0.189 nan 8.280 nan 0.000 0.498 129 G N -0.460 108.463 108.800 0.205 0.000 2.418 129 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 129 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 129 G C 1.506 176.378 174.900 -0.046 0.000 1.158 129 G CA 0.954 46.069 45.100 0.026 0.000 0.771 129 G HN 0.529 nan 8.290 nan 0.000 0.545 130 E N 0.359 120.539 120.200 -0.033 0.000 2.110 130 E HA -0.113 4.237 4.350 0.000 0.000 0.193 130 E C 2.526 179.097 176.600 -0.049 0.000 0.988 130 E CA 0.902 57.276 56.400 -0.042 0.000 0.804 130 E CB -0.074 29.611 29.700 -0.025 0.000 0.745 130 E HN 0.388 nan 8.360 nan 0.000 0.458 131 K N 0.506 120.880 120.400 -0.044 0.000 2.026 131 K HA -0.128 4.192 4.320 0.000 0.000 0.208 131 K C 2.180 178.714 176.600 -0.109 0.000 1.048 131 K CA 1.081 57.334 56.287 -0.057 0.000 0.929 131 K CB -0.127 32.339 32.500 -0.056 0.000 0.713 131 K HN 0.139 nan 8.250 nan 0.000 0.439 132 I N 0.724 121.172 120.570 -0.203 0.000 2.226 132 I HA -0.259 3.911 4.170 0.000 0.000 0.245 132 I C 2.202 178.161 176.117 -0.264 0.000 1.100 132 I CA 0.969 62.030 61.300 -0.398 0.000 1.374 132 I CB -0.236 37.421 38.000 -0.573 0.000 1.057 132 I HN -0.060 nan 8.210 nan 0.000 0.413 133 V N 1.203 121.019 119.914 -0.163 0.000 2.392 133 V HA -0.319 3.801 4.120 0.000 0.000 0.249 133 V C 2.520 178.578 176.094 -0.060 0.000 1.059 133 V CA 2.136 64.375 62.300 -0.102 0.000 1.051 133 V CB -0.732 31.044 31.823 -0.079 0.000 0.658 133 V HN 0.431 nan 8.190 nan 0.000 0.455 134 K N 0.199 120.570 120.400 -0.048 0.000 2.063 134 K HA -0.161 4.159 4.320 0.000 0.000 0.208 134 K C 1.915 178.521 176.600 0.011 0.000 1.048 134 K CA 1.776 58.055 56.287 -0.013 0.000 0.928 134 K CB -0.307 32.192 32.500 -0.002 0.000 0.713 134 K HN 0.298 nan 8.250 nan 0.000 0.442 135 V N 1.472 121.393 119.914 0.011 0.000 2.358 135 V HA -0.244 3.876 4.120 0.000 0.000 0.246 135 V C 2.384 178.520 176.094 0.070 0.000 1.047 135 V CA 1.886 64.230 62.300 0.073 0.000 1.035 135 V CB -0.578 31.320 31.823 0.124 0.000 0.658 135 V HN 0.432 nan 8.190 nan 0.000 0.452 136 Q N -0.029 119.787 119.800 0.027 0.000 2.030 136 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 136 Q C 2.293 178.318 176.000 0.042 0.000 0.986 136 Q CA 2.066 57.897 55.803 0.046 0.000 0.843 136 Q CB -0.272 28.474 28.738 0.014 0.000 0.904 136 Q HN 0.703 nan 8.270 nan 0.000 0.420 137 E N 0.424 120.636 120.200 0.021 0.000 2.160 137 E HA -0.199 4.151 4.350 0.000 0.000 0.195 137 E C 1.953 178.564 176.600 0.019 0.000 0.991 137 E CA 0.745 57.155 56.400 0.017 0.000 0.810 137 E CB -0.093 29.610 29.700 0.004 0.000 0.742 137 E HN 0.164 nan 8.360 nan 0.000 0.466 138 L N 0.816 122.054 121.223 0.025 0.000 2.109 138 L HA -0.034 4.306 4.340 0.000 0.000 0.207 138 L C 2.151 179.033 176.870 0.020 0.000 1.086 138 L CA 1.757 56.606 54.840 0.015 0.000 0.760 138 L CB -0.587 41.491 42.059 0.031 0.000 0.910 138 L HN 0.009 nan 8.230 nan 0.000 0.437 139 A N 0.087 122.938 122.820 0.051 0.000 1.858 139 A HA -0.188 4.132 4.320 0.000 0.000 0.216 139 A C 2.253 179.865 177.584 0.048 0.000 1.190 139 A CA 2.255 54.329 52.037 0.062 0.000 0.617 139 A CB -0.918 18.139 19.000 0.095 0.000 0.827 139 A HN 0.492 nan 8.150 nan 0.000 0.443 140 I N -0.528 120.071 120.570 0.048 0.000 2.315 140 I HA -0.239 3.931 4.170 0.000 0.000 0.248 140 I C 2.535 178.669 176.117 0.027 0.000 1.117 140 I CA 1.733 63.060 61.300 0.044 0.000 1.404 140 I CB -0.287 37.739 38.000 0.043 0.000 1.071 140 I HN 0.384 nan 8.210 nan 0.000 0.419 141 K N 0.971 121.380 120.400 0.015 0.000 2.057 141 K HA -0.203 4.117 4.320 0.000 0.000 0.207 141 K C 2.105 178.701 176.600 -0.007 0.000 1.049 141 K CA 2.149 58.437 56.287 0.001 0.000 0.931 141 K CB -0.091 32.403 32.500 -0.009 0.000 0.714 141 K HN 0.452 nan 8.250 nan 0.000 0.440 142 T N -3.537 111.010 114.554 -0.013 0.000 3.054 142 T HA 0.151 4.501 4.350 0.000 0.000 0.259 142 T C 1.160 175.857 174.700 -0.005 0.000 1.092 142 T CA 0.588 62.673 62.100 -0.024 0.000 1.121 142 T CB 0.164 69.000 68.868 -0.052 0.000 0.912 142 T HN 0.371 nan 8.240 nan 0.000 0.489 143 G N 2.209 111.017 108.800 0.014 0.000 2.212 143 G HA2 -0.167 3.793 3.960 0.000 0.000 0.255 143 G HA3 -0.167 3.793 3.960 0.000 0.000 0.255 143 G C -0.194 174.723 174.900 0.028 0.000 1.062 143 G CA -0.411 44.706 45.100 0.028 0.000 0.815 143 G HN 0.648 nan 8.290 nan 0.000 0.497 144 R N -0.861 119.655 120.500 0.027 0.000 2.832 144 R HA 0.641 4.981 4.340 0.000 0.000 0.271 144 R C -2.690 173.631 176.300 0.036 0.000 0.996 144 R CA -2.674 53.440 56.100 0.024 0.000 0.977 144 R CB 0.218 30.531 30.300 0.020 0.000 1.168 144 R HN 0.052 nan 8.270 nan 0.000 0.482 145 P HA 0.048 nan 4.420 nan 0.000 0.268 145 P C -0.643 176.696 177.300 0.066 0.000 1.208 145 P CA -0.293 62.819 63.100 0.020 0.000 0.777 145 P CB 0.454 32.144 31.700 -0.018 0.000 0.875 146 L N 4.065 125.341 121.223 0.089 0.000 2.316 146 L HA 0.484 4.824 4.340 0.000 0.000 0.280 146 L C -1.137 175.809 176.870 0.126 0.000 1.006 146 L CA -0.176 54.748 54.840 0.140 0.000 0.836 146 L CB 0.259 42.425 42.059 0.179 0.000 1.221 146 L HN 0.228 nan 8.230 nan 0.000 0.418 147 I N 4.336 124.961 120.570 0.090 0.000 2.377 147 I HA 0.651 4.821 4.170 0.000 0.000 0.293 147 I C 0.465 176.478 176.117 -0.173 0.000 0.987 147 I CA -0.516 60.787 61.300 0.005 0.000 1.185 147 I CB 1.884 39.880 38.000 -0.008 0.000 1.341 147 I HN 0.778 nan 8.210 nan 0.000 0.455 148 G N 6.956 115.574 108.800 -0.305 0.000 2.683 148 G HA2 0.636 4.596 3.960 0.000 0.000 0.299 148 G HA3 0.636 4.596 3.960 0.000 0.000 0.299 148 G C -0.800 173.784 174.900 -0.527 0.000 1.432 148 G CA -0.388 44.145 45.100 -0.945 0.000 0.978 148 G HN 0.492 nan 8.290 nan 0.000 0.513 149 I N 2.506 122.756 120.570 -0.533 0.000 2.287 149 I HA 0.138 4.308 4.170 0.000 0.000 0.290 149 I C -0.388 175.666 176.117 -0.104 0.000 1.069 149 I CA -0.695 60.493 61.300 -0.187 0.000 1.237 149 I CB 0.682 38.623 38.000 -0.099 0.000 1.418 149 I HN 0.324 nan 8.210 nan 0.000 0.481 150 N N 5.100 123.796 118.700 -0.008 0.000 2.518 150 N HA 0.377 5.117 4.740 0.000 0.000 0.283 150 N C -0.505 175.027 175.510 0.037 0.000 1.119 150 N CA -0.293 52.814 53.050 0.096 0.000 0.983 150 N CB 0.865 39.442 38.487 0.150 0.000 1.139 150 N HN 0.420 nan 8.380 nan 0.000 0.465 151 D N 0.392 120.800 120.400 0.013 0.000 3.198 151 D HA 0.246 4.886 4.640 0.000 0.000 0.237 151 D C -1.272 174.961 176.300 -0.112 0.000 1.468 151 D CA -0.184 53.789 54.000 -0.044 0.000 0.948 151 D CB -0.173 40.630 40.800 0.006 0.000 1.479 151 D HN 0.626 nan 8.370 nan 0.000 0.611 152 G N -0.451 108.120 108.800 -0.381 0.000 2.660 152 G HA2 0.644 4.604 3.960 0.000 0.000 0.294 152 G HA3 0.644 4.604 3.960 0.000 0.000 0.294 152 G C -0.639 173.998 174.900 -0.438 0.000 1.369 152 G CA -0.479 44.310 45.100 -0.519 0.000 0.912 152 G HN 0.247 nan 8.290 nan 0.000 0.479 153 A N 0.444 123.186 122.820 -0.131 0.000 3.181 153 A HA 0.700 5.020 4.320 0.000 0.000 0.293 153 A C 1.260 178.921 177.584 0.129 0.000 1.346 153 A CA 0.896 52.927 52.037 -0.010 0.000 1.018 153 A CB -0.985 18.033 19.000 0.030 0.000 1.093 153 A HN 2.624 nan 8.150 nan 0.000 0.629 154 G N -0.188 108.828 108.800 0.360 0.000 2.632 154 G HA2 0.297 4.257 3.960 0.000 0.000 0.224 154 G HA3 0.297 4.257 3.960 0.000 0.000 0.224 154 G C 0.365 175.482 174.900 0.361 0.000 1.341 154 G CA -0.310 45.040 45.100 0.417 0.000 0.880 154 G HN 1.847 nan 8.290 nan 0.000 0.566 155 A N -0.356 122.628 122.820 0.274 0.000 2.332 155 A HA 0.715 5.035 4.320 0.000 0.000 0.258 155 A C 1.012 178.583 177.584 -0.021 0.000 1.087 155 A CA 0.647 52.736 52.037 0.087 0.000 0.802 155 A CB 0.509 19.593 19.000 0.141 0.000 1.042 155 A HN 1.080 nan 8.150 nan 0.000 0.489 156 R N 2.158 122.569 120.500 -0.148 0.000 3.701 156 R HA 0.249 4.589 4.340 0.000 0.000 0.210 156 R C 0.715 176.946 176.300 -0.114 0.000 1.598 156 R CA -0.178 55.825 56.100 -0.161 0.000 1.427 156 R CB -0.941 29.182 30.300 -0.296 0.000 1.339 156 R HN 0.838 nan 8.270 nan 0.000 0.720 157 I N 1.240 121.782 120.570 -0.047 0.000 2.661 157 I HA -0.549 3.621 4.170 0.000 0.000 0.221 157 I C 1.853 177.979 176.117 0.015 0.000 0.909 157 I CA 1.767 63.059 61.300 -0.014 0.000 1.212 157 I CB -0.506 37.482 38.000 -0.021 0.000 0.929 157 I HN 0.543 nan 8.210 nan 0.000 0.375 158 Q N 0.395 120.206 119.800 0.018 0.000 2.182 158 Q HA -0.269 4.071 4.340 0.000 0.000 0.213 158 Q C 2.000 178.061 176.000 0.102 0.000 1.000 158 Q CA 2.121 58.034 55.803 0.185 0.000 0.889 158 Q CB -0.349 28.443 28.738 0.090 0.000 0.932 158 Q HN 0.560 nan 8.270 nan 0.000 0.415 159 E N -0.603 119.559 120.200 -0.063 0.000 2.347 159 E HA 0.054 4.404 4.350 0.000 0.000 0.196 159 E C 0.843 177.405 176.600 -0.062 0.000 1.008 159 E CA 0.464 56.801 56.400 -0.106 0.000 0.852 159 E CB -0.001 29.591 29.700 -0.179 0.000 0.783 159 E HN 0.394 nan 8.360 nan 0.000 0.505 160 G N 0.322 109.112 108.800 -0.017 0.000 2.660 160 G HA2 -0.310 3.650 3.960 0.000 0.000 0.215 160 G HA3 -0.310 3.650 3.960 0.000 0.000 0.215 160 G C 0.826 175.708 174.900 -0.030 0.000 1.345 160 G CA -0.097 44.998 45.100 -0.007 0.000 0.877 160 G HN 0.250 nan 8.290 nan 0.000 0.549 161 V N -1.080 118.823 119.914 -0.019 0.000 2.828 161 V HA -0.139 3.981 4.120 0.000 0.000 0.260 161 V C 2.889 178.953 176.094 -0.049 0.000 1.101 161 V CA 2.539 64.826 62.300 -0.022 0.000 1.123 161 V CB -1.348 30.468 31.823 -0.011 0.000 0.704 161 V HN 1.422 nan 8.190 nan 0.000 0.493 162 V N 2.327 122.200 119.914 -0.068 0.000 2.278 162 V HA -0.309 3.811 4.120 0.000 0.000 0.251 162 V C 3.001 179.009 176.094 -0.143 0.000 1.062 162 V CA 2.651 64.895 62.300 -0.093 0.000 1.038 162 V CB -1.596 30.169 31.823 -0.096 0.000 0.646 162 V HN 0.826 nan 8.190 nan 0.000 0.447 163 S N 0.552 116.143 115.700 -0.181 0.000 2.383 163 S HA -0.167 4.303 4.470 0.000 0.000 0.229 163 S C 1.956 176.363 174.600 -0.321 0.000 1.030 163 S CA 1.724 59.728 58.200 -0.327 0.000 1.002 163 S CB -0.755 62.245 63.200 -0.333 0.000 0.829 163 S HN 0.543 nan 8.310 nan 0.000 0.467 164 L N 1.451 122.618 121.223 -0.093 0.000 2.046 164 L HA 0.004 4.344 4.340 0.000 0.000 0.208 164 L C 3.039 179.898 176.870 -0.020 0.000 1.077 164 L CA 1.230 56.096 54.840 0.044 0.000 0.747 164 L CB -1.402 40.690 42.059 0.055 0.000 0.896 164 L HN 0.533 nan 8.230 nan 0.000 0.432 165 G N 0.142 108.902 108.800 -0.068 0.000 2.418 165 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 165 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 165 G C 1.662 176.491 174.900 -0.118 0.000 1.158 165 G CA 0.528 45.584 45.100 -0.074 0.000 0.771 165 G HN 0.217 nan 8.290 nan 0.000 0.545 166 L N -1.117 119.997 121.223 -0.181 0.000 2.109 166 L HA 0.014 4.354 4.340 0.000 0.000 0.207 166 L C 2.638 179.341 176.870 -0.279 0.000 1.086 166 L CA 0.512 55.217 54.840 -0.225 0.000 0.760 166 L CB -0.279 41.617 42.059 -0.273 0.000 0.910 166 L HN 0.121 nan 8.230 nan 0.000 0.437 167 Y N 0.043 120.130 120.300 -0.355 0.000 2.128 167 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 167 Y C 2.947 178.187 175.900 -1.101 0.000 1.154 167 Y CA 1.316 59.014 58.100 -0.669 0.000 1.149 167 Y CB -0.766 37.430 38.460 -0.440 0.000 0.976 167 Y HN 0.134 nan 8.280 nan 0.000 0.505 168 S N -0.662 114.825 115.700 -0.354 0.000 2.368 168 S HA -0.183 4.287 4.470 0.000 0.000 0.224 168 S C 2.094 176.598 174.600 -0.160 0.000 1.029 168 S CA 1.177 59.262 58.200 -0.191 0.000 0.988 168 S CB -0.264 62.931 63.200 -0.008 0.000 0.838 168 S HN 0.321 nan 8.310 nan 0.000 0.462 169 R N 0.753 121.163 120.500 -0.152 0.000 2.139 169 R HA -0.011 4.329 4.340 0.000 0.000 0.243 169 R C 1.939 178.179 176.300 -0.101 0.000 1.145 169 R CA 1.268 57.309 56.100 -0.099 0.000 0.976 169 R CB -0.337 29.904 30.300 -0.098 0.000 0.866 169 R HN 0.428 nan 8.270 nan 0.000 0.449 170 I N -0.672 119.781 120.570 -0.194 0.000 2.406 170 I HA -0.185 3.985 4.170 0.000 0.000 0.249 170 I C 1.309 177.435 176.117 0.015 0.000 1.122 170 I CA 0.628 61.849 61.300 -0.130 0.000 1.431 170 I CB -0.172 37.723 38.000 -0.175 0.000 1.087 170 I HN 0.071 nan 8.210 nan 0.000 0.424 171 F N 1.112 121.093 119.950 0.052 0.000 2.146 171 F HA -0.153 4.374 4.527 0.000 0.000 0.298 171 F C 2.668 178.483 175.800 0.026 0.000 1.096 171 F CA 1.033 59.056 58.000 0.039 0.000 1.275 171 F CB -1.200 37.804 39.000 0.007 0.000 1.008 171 F HN -0.058 nan 8.300 nan 0.000 0.480 172 R N 1.035 121.646 120.500 0.184 0.000 2.103 172 R HA -0.168 4.172 4.340 0.000 0.000 0.242 172 R C 1.883 178.231 176.300 0.080 0.000 1.142 172 R CA 1.724 57.885 56.100 0.103 0.000 0.960 172 R CB -0.722 29.610 30.300 0.054 0.000 0.858 172 R HN 0.124 nan 8.270 nan 0.000 0.439 173 N N 0.093 118.834 118.700 0.069 0.000 2.270 173 N HA -0.077 4.663 4.740 0.000 0.000 0.181 173 N C 1.173 176.736 175.510 0.088 0.000 1.016 173 N CA 1.275 54.362 53.050 0.061 0.000 0.870 173 N CB -0.325 38.185 38.487 0.039 0.000 0.979 173 N HN 0.428 nan 8.380 nan 0.000 0.431 174 N N 0.563 119.337 118.700 0.123 0.000 2.084 174 N HA -0.126 4.614 4.740 0.000 0.000 0.190 174 N C 1.747 177.318 175.510 0.102 0.000 1.030 174 N CA 1.242 54.374 53.050 0.136 0.000 0.849 174 N CB -0.113 38.487 38.487 0.187 0.000 1.012 174 N HN 0.262 nan 8.380 nan 0.000 0.423 175 I N -0.702 119.922 120.570 0.089 0.000 2.493 175 I HA -0.120 4.050 4.170 0.000 0.000 0.254 175 I C 1.626 177.768 176.117 0.042 0.000 1.160 175 I CA 1.382 62.713 61.300 0.052 0.000 1.445 175 I CB -0.399 37.621 38.000 0.034 0.000 1.086 175 I HN 0.089 nan 8.210 nan 0.000 0.433 176 L N 0.758 122.012 121.223 0.051 0.000 2.179 176 L HA 0.076 4.416 4.340 0.000 0.000 0.208 176 L C 2.660 179.559 176.870 0.049 0.000 1.096 176 L CA 1.035 55.901 54.840 0.042 0.000 0.779 176 L CB -0.572 41.512 42.059 0.041 0.000 0.922 176 L HN 0.414 nan 8.230 nan 0.000 0.443 177 A N -1.192 121.667 122.820 0.066 0.000 2.238 177 A HA 0.004 4.324 4.320 0.000 0.000 0.210 177 A C 1.341 178.982 177.584 0.095 0.000 1.179 177 A CA 0.039 52.126 52.037 0.083 0.000 0.827 177 A CB -0.131 18.928 19.000 0.099 0.000 0.856 177 A HN 0.228 nan 8.150 nan 0.000 0.488 178 S N 0.020 115.763 115.700 0.072 0.000 2.629 178 S HA 0.356 4.826 4.470 0.000 0.000 0.302 178 S C 1.450 176.057 174.600 0.012 0.000 1.244 178 S CA 1.046 59.280 58.200 0.056 0.000 1.098 178 S CB -0.337 62.878 63.200 0.025 0.000 0.858 178 S HN 1.816 nan 8.310 nan 0.000 0.502 179 G N 3.100 111.897 108.800 -0.005 0.000 2.225 179 G HA2 -0.265 3.695 3.960 0.000 0.000 0.254 179 G HA3 -0.265 3.695 3.960 0.000 0.000 0.254 179 G C 0.690 175.482 174.900 -0.180 0.000 0.988 179 G CA 0.337 45.295 45.100 -0.237 0.000 0.625 179 G HN 0.854 nan 8.290 nan 0.000 0.527 180 V N 0.408 120.358 119.914 0.060 0.000 2.521 180 V HA 0.407 4.527 4.120 0.000 0.000 0.239 180 V C 1.135 177.406 176.094 0.295 0.000 1.053 180 V CA 1.150 63.523 62.300 0.123 0.000 1.073 180 V CB 0.132 32.005 31.823 0.084 0.000 0.746 180 V HN 0.299 nan 8.190 nan 0.000 0.476 181 I N 1.023 121.774 120.570 0.301 0.000 2.436 181 I HA 0.440 4.610 4.170 0.000 0.000 0.289 181 I C -2.825 173.424 176.117 0.220 0.000 1.010 181 I CA -2.994 58.449 61.300 0.238 0.000 1.098 181 I CB 1.471 39.552 38.000 0.135 0.000 1.266 181 I HN 0.075 nan 8.210 nan 0.000 0.434 182 P HA 0.116 nan 4.420 nan 0.000 0.267 182 P C -1.012 176.298 177.300 0.016 0.000 1.209 182 P CA 0.024 62.978 63.100 -0.242 0.000 0.763 182 P CB 0.273 31.686 31.700 -0.478 0.000 0.816 183 Q N 3.061 122.919 119.800 0.097 0.000 2.381 183 Q HA 0.457 4.797 4.340 0.000 0.000 0.263 183 Q C -0.742 175.347 176.000 0.149 0.000 1.030 183 Q CA -0.658 55.221 55.803 0.126 0.000 0.772 183 Q CB 1.151 29.973 28.738 0.140 0.000 1.232 183 Q HN 0.350 nan 8.270 nan 0.000 0.476 184 I N 1.310 121.969 120.570 0.149 0.000 2.359 184 I HA 0.242 4.412 4.170 0.000 0.000 0.294 184 I C -0.039 176.152 176.117 0.122 0.000 0.987 184 I CA 0.007 61.411 61.300 0.174 0.000 1.225 184 I CB 1.991 40.079 38.000 0.146 0.000 1.366 184 I HN 0.372 nan 8.210 nan 0.000 0.466 185 S N 6.454 122.233 115.700 0.132 0.000 2.449 185 S HA 0.616 5.086 4.470 0.000 0.000 0.310 185 S C -0.440 174.209 174.600 0.083 0.000 1.096 185 S CA -0.571 57.685 58.200 0.093 0.000 1.095 185 S CB 0.776 64.043 63.200 0.113 0.000 1.007 185 S HN 0.366 nan 8.310 nan 0.000 0.474 186 L N 4.637 125.885 121.223 0.041 0.000 2.276 186 L HA 0.466 4.806 4.340 0.000 0.000 0.286 186 L C -0.748 176.138 176.870 0.027 0.000 1.024 186 L CA -0.626 54.243 54.840 0.050 0.000 0.826 186 L CB 0.810 42.917 42.059 0.080 0.000 1.211 186 L HN 0.510 nan 8.230 nan 0.000 0.422 187 I N 5.155 125.737 120.570 0.019 0.000 2.281 187 I HA 0.135 4.305 4.170 0.000 0.000 0.293 187 I C 0.794 176.901 176.117 -0.016 0.000 1.085 187 I CA 0.229 61.531 61.300 0.003 0.000 1.257 187 I CB 0.996 38.995 38.000 -0.001 0.000 1.430 187 I HN 0.789 nan 8.210 nan 0.000 0.489 188 M N 3.193 122.787 119.600 -0.011 0.000 2.367 188 M HA 0.233 4.713 4.480 0.000 0.000 0.256 188 M C 1.054 177.342 176.300 -0.020 0.000 1.091 188 M CA 0.135 55.421 55.300 -0.024 0.000 1.049 188 M CB 0.873 33.473 32.600 0.000 0.000 1.406 188 M HN 0.601 nan 8.290 nan 0.000 0.498 189 G N 0.491 109.280 108.800 -0.019 0.000 3.212 189 G HA2 0.723 4.683 3.960 0.000 0.000 0.188 189 G HA3 0.723 4.683 3.960 0.000 0.000 0.188 189 G C -1.361 173.521 174.900 -0.029 0.000 1.254 189 G CA -0.470 44.617 45.100 -0.021 0.000 0.957 189 G HN 0.231 nan 8.290 nan 0.000 0.596 190 A N -0.593 122.204 122.820 -0.038 0.000 2.252 190 A HA 0.723 5.043 4.320 0.000 0.000 0.309 190 A C 0.168 177.652 177.584 -0.167 0.000 1.285 190 A CA 0.144 52.145 52.037 -0.059 0.000 0.900 190 A CB 0.413 19.418 19.000 0.007 0.000 1.157 190 A HN 1.642 nan 8.150 nan 0.000 0.536 191 A N 2.420 125.100 122.820 -0.232 0.000 2.249 191 A HA 0.743 5.063 4.320 0.000 0.000 0.314 191 A C 0.262 177.557 177.584 -0.481 0.000 1.290 191 A CA 0.218 52.097 52.037 -0.264 0.000 0.893 191 A CB 0.342 19.265 19.000 -0.129 0.000 1.165 191 A HN 1.957 nan 8.150 nan 0.000 0.530 192 A N 2.068 124.657 122.820 -0.384 0.000 2.384 192 A HA 0.955 5.275 4.320 0.000 0.000 0.312 192 A C 0.814 178.357 177.584 -0.068 0.000 1.113 192 A CA 0.193 51.967 52.037 -0.439 0.000 0.779 192 A CB 0.760 19.546 19.000 -0.357 0.000 1.307 192 A HN 2.784 nan 8.150 nan 0.000 0.436 193 G N 0.471 109.254 108.800 -0.029 0.000 2.527 193 G HA2 0.055 4.015 3.960 0.000 0.000 0.268 193 G HA3 0.055 4.015 3.960 0.000 0.000 0.268 193 G C 1.182 176.113 174.900 0.051 0.000 1.175 193 G CA 0.682 45.821 45.100 0.065 0.000 0.962 193 G HN 2.073 nan 8.290 nan 0.000 0.560 194 G N -1.331 107.426 108.800 -0.072 0.000 2.598 194 G HA2 0.070 4.030 3.960 0.000 0.000 0.215 194 G HA3 0.070 4.030 3.960 0.000 0.000 0.215 194 G C 1.276 176.074 174.900 -0.170 0.000 1.131 194 G CA 1.453 46.442 45.100 -0.185 0.000 0.785 194 G HN 0.768 nan 8.290 nan 0.000 0.539 195 H N 0.217 119.227 119.070 -0.100 0.000 2.518 195 H HA -0.090 4.466 4.556 0.000 0.000 0.292 195 H C 2.692 178.042 175.328 0.036 0.000 1.068 195 H CA 1.594 57.682 56.048 0.068 0.000 1.275 195 H CB 0.163 29.971 29.762 0.076 0.000 1.375 195 H HN 0.418 nan 8.280 nan 0.000 0.563 196 V N -2.301 117.612 119.914 -0.000 0.000 2.878 196 V HA -0.094 4.026 4.120 0.000 0.000 0.250 196 V C 1.883 177.841 176.094 -0.226 0.000 1.075 196 V CA 0.619 62.819 62.300 -0.168 0.000 1.096 196 V CB -0.907 30.708 31.823 -0.347 0.000 0.724 196 V HN 0.092 nan 8.190 nan 0.000 0.467 197 Y N 1.611 121.834 120.300 -0.129 0.000 2.224 197 Y HA -0.126 4.424 4.550 0.000 0.000 0.289 197 Y C 3.213 179.016 175.900 -0.161 0.000 1.146 197 Y CA 1.982 59.900 58.100 -0.303 0.000 1.182 197 Y CB -0.828 37.139 38.460 -0.822 0.000 0.983 197 Y HN 0.335 nan 8.280 nan 0.000 0.524 198 S N 0.326 116.190 115.700 0.273 0.000 2.359 198 S HA -0.172 4.298 4.470 0.000 0.000 0.222 198 S C -0.459 174.258 174.600 0.194 0.000 1.038 198 S CA 1.968 60.374 58.200 0.343 0.000 1.051 198 S CB -1.238 62.220 63.200 0.431 0.000 0.944 198 S HN 0.196 nan 8.310 nan 0.000 0.433 199 P HA -0.016 nan 4.420 nan 0.000 0.216 199 P C 1.461 178.791 177.300 0.050 0.000 1.150 199 P CA 1.611 64.769 63.100 0.097 0.000 0.843 199 P CB -0.260 31.474 31.700 0.057 0.000 0.787 200 A N -0.779 122.041 122.820 -0.001 0.000 1.933 200 A HA -0.143 4.177 4.320 0.000 0.000 0.218 200 A C 2.077 179.666 177.584 0.008 0.000 1.175 200 A CA 1.368 53.390 52.037 -0.025 0.000 0.628 200 A CB -1.546 17.405 19.000 -0.080 0.000 0.814 200 A HN 0.155 nan 8.150 nan 0.000 0.444 201 L N 0.266 121.506 121.223 0.029 0.000 2.418 201 L HA 0.012 4.352 4.340 0.000 0.000 0.218 201 L C 1.493 178.396 176.870 0.055 0.000 1.125 201 L CA 0.633 55.496 54.840 0.039 0.000 0.835 201 L CB -0.744 41.351 42.059 0.060 0.000 0.953 201 L HN 0.511 nan 8.230 nan 0.000 0.454 202 T N -4.050 110.546 114.554 0.071 0.000 2.828 202 T HA 0.050 4.400 4.350 0.000 0.000 0.290 202 T C 0.826 175.516 174.700 -0.017 0.000 1.019 202 T CA -0.673 61.467 62.100 0.067 0.000 1.031 202 T CB 1.106 70.038 68.868 0.107 0.000 1.001 202 T HN 0.018 nan 8.240 nan 0.000 0.531 203 D N 0.014 120.363 120.400 -0.085 0.000 2.144 203 D HA 0.044 4.684 4.640 0.000 0.000 0.200 203 D C -0.009 175.769 176.300 -0.870 0.000 0.978 203 D CA 1.310 55.070 54.000 -0.400 0.000 0.833 203 D CB -0.044 40.533 40.800 -0.372 0.000 0.961 203 D HN 0.545 nan 8.370 nan 0.000 0.470 204 F N -0.094 119.768 119.950 -0.147 0.000 2.561 204 F HA 0.329 4.856 4.527 0.000 0.000 0.313 204 F C -0.429 175.340 175.800 -0.051 0.000 1.126 204 F CA -1.094 56.690 58.000 -0.360 0.000 0.918 204 F CB 2.358 41.251 39.000 -0.179 0.000 1.199 204 F HN -0.437 nan 8.300 nan 0.000 0.444 205 V N 4.897 125.010 119.914 0.332 0.000 2.334 205 V HA 0.422 4.542 4.120 0.000 0.000 0.281 205 V C -0.561 175.680 176.094 0.245 0.000 1.016 205 V CA -0.494 61.970 62.300 0.273 0.000 0.832 205 V CB 1.184 33.138 31.823 0.219 0.000 0.999 205 V HN 0.445 nan 8.190 nan 0.000 0.439 206 I N 6.265 126.928 120.570 0.155 0.000 2.362 206 I HA 0.517 4.687 4.170 0.000 0.000 0.289 206 I C 0.148 176.276 176.117 0.018 0.000 0.994 206 I CA -0.062 61.292 61.300 0.091 0.000 1.158 206 I CB 1.499 39.570 38.000 0.117 0.000 1.315 206 I HN 0.481 nan 8.210 nan 0.000 0.451 207 M N 5.236 124.806 119.600 -0.049 0.000 2.644 207 M HA 0.624 5.104 4.480 0.000 0.000 0.316 207 M C -0.885 175.329 176.300 -0.143 0.000 1.200 207 M CA -1.107 54.150 55.300 -0.072 0.000 0.944 207 M CB 2.365 34.938 32.600 -0.045 0.000 1.691 207 M HN 0.092 nan 8.290 nan 0.000 0.471 208 V N 0.899 120.740 119.914 -0.122 0.000 2.347 208 V HA 0.156 4.276 4.120 0.000 0.000 0.280 208 V C -0.577 175.436 176.094 -0.135 0.000 1.021 208 V CA -0.812 61.398 62.300 -0.149 0.000 0.847 208 V CB 1.166 32.907 31.823 -0.136 0.000 0.990 208 V HN 0.797 nan 8.190 nan 0.000 0.444 209 D N 5.184 125.487 120.400 -0.161 0.000 2.434 209 D HA 0.207 4.847 4.640 0.000 0.000 0.252 209 D C 0.843 177.049 176.300 -0.158 0.000 1.185 209 D CA 0.773 54.676 54.000 -0.162 0.000 0.886 209 D CB 0.683 41.386 40.800 -0.162 0.000 1.148 209 D HN 0.554 nan 8.370 nan 0.000 0.483 210 Q N 1.420 121.117 119.800 -0.171 0.000 6.432 210 Q HA -0.178 4.162 4.340 0.000 0.000 0.309 210 Q C 1.042 176.988 176.000 -0.090 0.000 1.738 210 Q CA 2.243 57.956 55.803 -0.150 0.000 0.527 210 Q CB -2.101 26.552 28.738 -0.141 0.000 0.310 210 Q HN 0.727 nan 8.270 nan 0.000 0.828 211 T N -0.932 113.575 114.554 -0.079 0.000 3.251 211 T HA 0.531 4.881 4.350 0.000 0.000 0.259 211 T C 0.351 175.028 174.700 -0.039 0.000 0.998 211 T CA 0.634 62.702 62.100 -0.053 0.000 0.905 211 T CB -0.038 68.796 68.868 -0.056 0.000 1.067 211 T HN 0.519 nan 8.240 nan 0.000 0.569 212 S N -0.029 115.651 115.700 -0.033 0.000 2.548 212 S HA 0.675 5.145 4.470 0.000 0.000 0.278 212 S C -1.850 172.764 174.600 0.023 0.000 1.150 212 S CA -0.964 57.229 58.200 -0.012 0.000 0.907 212 S CB 2.146 65.329 63.200 -0.028 0.000 1.108 212 S HN 0.159 nan 8.310 nan 0.000 0.459 213 Q N 1.175 121.008 119.800 0.057 0.000 2.587 213 Q HA 0.804 5.144 4.340 0.000 0.000 0.293 213 Q C -1.133 174.918 176.000 0.085 0.000 1.083 213 Q CA -0.648 55.241 55.803 0.144 0.000 0.792 213 Q CB 2.116 31.033 28.738 0.299 0.000 1.484 213 Q HN 0.863 nan 8.270 nan 0.000 0.446 214 M N 1.959 121.675 119.600 0.194 0.000 2.298 214 M HA 0.610 5.090 4.480 0.000 0.000 0.255 214 M C -2.101 174.341 176.300 0.236 0.000 1.021 214 M CA -0.382 54.937 55.300 0.032 0.000 0.968 214 M CB 1.086 33.709 32.600 0.038 0.000 2.037 214 M HN 0.657 nan 8.290 nan 0.000 0.478 215 F N 2.609 122.598 119.950 0.065 0.000 2.703 215 F HA 0.540 5.067 4.527 0.000 0.000 0.308 215 F C -0.599 175.194 175.800 -0.012 0.000 1.126 215 F CA -1.061 56.963 58.000 0.039 0.000 0.959 215 F CB 0.571 39.591 39.000 0.033 0.000 1.297 215 F HN 0.416 nan 8.300 nan 0.000 0.441 216 I N 0.246 120.918 120.570 0.169 0.000 2.206 216 I HA -0.004 4.166 4.170 0.000 0.000 0.239 216 I C 0.631 176.881 176.117 0.222 0.000 1.078 216 I CA 1.204 62.560 61.300 0.093 0.000 1.367 216 I CB -0.153 37.881 38.000 0.057 0.000 1.078 216 I HN 0.639 nan 8.210 nan 0.000 0.413 217 T N 1.222 115.933 114.554 0.261 0.000 2.824 217 T HA 0.483 4.833 4.350 0.000 0.000 0.280 217 T C 0.209 175.046 174.700 0.229 0.000 0.995 217 T CA -0.528 61.701 62.100 0.216 0.000 1.009 217 T CB 1.601 70.534 68.868 0.107 0.000 0.955 217 T HN 0.327 nan 8.240 nan 0.000 0.452 218 G N 2.552 111.471 108.800 0.197 0.000 2.569 218 G HA2 0.325 4.285 3.960 0.000 0.000 0.249 218 G HA3 0.325 4.285 3.960 0.000 0.000 0.249 218 G C -1.615 173.203 174.900 -0.137 0.000 1.216 218 G CA -1.351 43.765 45.100 0.028 0.000 0.845 218 G HN 0.407 nan 8.290 nan 0.000 0.568 219 P HA -0.094 nan 4.420 nan 0.000 0.218 219 P C 1.145 178.390 177.300 -0.092 0.000 1.148 219 P CA 1.115 64.101 63.100 -0.190 0.000 0.822 219 P CB 0.269 31.843 31.700 -0.210 0.000 0.784 220 D N -0.672 119.694 120.400 -0.056 0.000 2.078 220 D HA -0.112 4.528 4.640 0.000 0.000 0.193 220 D C 2.080 178.370 176.300 -0.017 0.000 0.990 220 D CA 1.212 55.196 54.000 -0.026 0.000 0.827 220 D CB -1.001 39.796 40.800 -0.005 0.000 0.975 220 D HN -0.003 nan 8.370 nan 0.000 0.451 221 V N 2.000 121.911 119.914 -0.004 0.000 2.282 221 V HA -0.254 3.866 4.120 0.000 0.000 0.249 221 V C 2.689 178.779 176.094 -0.007 0.000 1.057 221 V CA 1.305 63.608 62.300 0.004 0.000 1.032 221 V CB -0.582 31.255 31.823 0.023 0.000 0.645 221 V HN 0.184 nan 8.190 nan 0.000 0.447 222 I N 0.105 120.663 120.570 -0.020 0.000 2.145 222 I HA -0.339 3.831 4.170 0.000 0.000 0.244 222 I C 2.642 178.743 176.117 -0.026 0.000 1.075 222 I CA 2.213 63.496 61.300 -0.028 0.000 1.332 222 I CB -0.491 37.476 38.000 -0.054 0.000 1.033 222 I HN 0.324 nan 8.210 nan 0.000 0.410 223 K N 1.512 121.892 120.400 -0.032 0.000 2.009 223 K HA -0.195 4.125 4.320 0.000 0.000 0.210 223 K C 1.901 178.491 176.600 -0.017 0.000 1.049 223 K CA 2.410 58.681 56.287 -0.027 0.000 0.929 223 K CB -0.899 31.583 32.500 -0.030 0.000 0.714 223 K HN 0.414 nan 8.250 nan 0.000 0.440 224 T N -2.123 112.424 114.554 -0.013 0.000 3.227 224 T HA 0.072 4.422 4.350 0.000 0.000 0.257 224 T C 1.214 175.912 174.700 -0.004 0.000 1.162 224 T CA 0.661 62.757 62.100 -0.007 0.000 1.051 224 T CB -0.010 68.856 68.868 -0.004 0.000 0.953 224 T HN -0.006 nan 8.240 nan 0.000 0.535 225 V N 0.683 120.594 119.914 -0.005 0.000 3.251 225 V HA 0.134 4.254 4.120 0.000 0.000 0.239 225 V C 2.564 178.656 176.094 -0.004 0.000 1.332 225 V CA 0.912 63.210 62.300 -0.002 0.000 1.224 225 V CB 0.544 32.368 31.823 0.002 0.000 1.004 225 V HN 0.692 nan 8.190 nan 0.000 0.464 226 T N -3.129 111.420 114.554 -0.008 0.000 2.971 226 T HA 0.352 4.702 4.350 0.000 0.000 0.252 226 T C 1.614 176.308 174.700 -0.011 0.000 1.022 226 T CA 1.105 63.200 62.100 -0.008 0.000 0.980 226 T CB 0.990 69.852 68.868 -0.010 0.000 1.044 226 T HN 1.039 nan 8.240 nan 0.000 0.501 227 G N 1.766 110.558 108.800 -0.013 0.000 2.179 227 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 227 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 227 G C -0.242 174.648 174.900 -0.018 0.000 0.977 227 G CA 0.157 45.249 45.100 -0.014 0.000 0.641 227 G HN 0.697 nan 8.290 nan 0.000 0.533 228 E N 0.542 120.729 120.200 -0.021 0.000 2.354 228 E HA 0.515 4.865 4.350 0.000 0.000 0.269 228 E C -0.140 176.440 176.600 -0.034 0.000 1.036 228 E CA -0.117 56.268 56.400 -0.026 0.000 0.876 228 E CB 1.001 30.685 29.700 -0.028 0.000 1.009 228 E HN 0.480 nan 8.360 nan 0.000 0.416 229 E N 1.508 121.687 120.200 -0.035 0.000 2.145 229 E HA 0.393 4.743 4.350 0.000 0.000 0.270 229 E C -1.133 175.437 176.600 -0.050 0.000 0.906 229 E CA -0.627 55.748 56.400 -0.042 0.000 0.761 229 E CB 1.606 31.287 29.700 -0.032 0.000 1.116 229 E HN 0.317 nan 8.360 nan 0.000 0.408 230 V N -0.322 119.551 119.914 -0.069 0.000 3.147 230 V HA 0.571 4.691 4.120 0.000 0.000 0.299 230 V C 0.049 176.081 176.094 -0.103 0.000 1.302 230 V CA -1.230 61.022 62.300 -0.080 0.000 1.015 230 V CB 1.313 33.081 31.823 -0.092 0.000 1.086 230 V HN 0.727 nan 8.190 nan 0.000 0.437 231 T N -0.532 113.966 114.554 -0.094 0.000 2.824 231 T HA 0.491 4.841 4.350 0.000 0.000 0.277 231 T C 1.079 175.691 174.700 -0.146 0.000 0.975 231 T CA -0.430 61.611 62.100 -0.099 0.000 0.966 231 T CB 1.158 69.989 68.868 -0.063 0.000 1.054 231 T HN 0.653 nan 8.240 nan 0.000 0.533 232 M N -0.193 119.326 119.600 -0.135 0.000 2.175 232 M HA -0.013 4.467 4.480 0.000 0.000 0.264 232 M C 2.335 178.600 176.300 -0.058 0.000 1.063 232 M CA 1.587 56.795 55.300 -0.153 0.000 1.119 232 M CB -0.642 31.959 32.600 0.002 0.000 1.377 232 M HN 0.779 nan 8.290 nan 0.000 0.415 233 E N 1.295 121.469 120.200 -0.043 0.000 2.072 233 E HA -0.169 4.181 4.350 0.000 0.000 0.191 233 E C 1.567 178.137 176.600 -0.050 0.000 0.985 233 E CA 1.588 57.963 56.400 -0.042 0.000 0.801 233 E CB -0.022 29.643 29.700 -0.059 0.000 0.750 233 E HN 0.509 nan 8.360 nan 0.000 0.452 234 E N -0.468 119.697 120.200 -0.057 0.000 2.208 234 E HA -0.107 4.243 4.350 0.000 0.000 0.193 234 E C 1.954 178.498 176.600 -0.093 0.000 0.988 234 E CA 0.700 57.069 56.400 -0.052 0.000 0.828 234 E CB -0.055 29.616 29.700 -0.048 0.000 0.763 234 E HN 0.215 nan 8.360 nan 0.000 0.478 235 L N -0.511 120.632 121.223 -0.134 0.000 2.068 235 L HA 0.087 4.427 4.340 0.000 0.000 0.204 235 L C 1.366 178.141 176.870 -0.159 0.000 1.076 235 L CA 1.888 56.624 54.840 -0.173 0.000 0.753 235 L CB 0.205 42.074 42.059 -0.317 0.000 0.910 235 L HN 0.065 nan 8.230 nan 0.000 0.439 236 G N -0.844 107.902 108.800 -0.089 0.000 5.252 236 G HA2 0.449 4.409 3.960 0.000 0.000 0.214 236 G HA3 0.449 4.409 3.960 0.000 0.000 0.214 236 G C 0.149 175.044 174.900 -0.008 0.000 0.817 236 G CA 0.066 45.083 45.100 -0.139 0.000 0.715 236 G HN 0.589 nan 8.290 nan 0.000 0.480 237 G N -0.639 108.131 108.800 -0.050 0.000 2.543 237 G HA2 0.542 4.502 3.960 0.000 0.000 0.290 237 G HA3 0.542 4.502 3.960 0.000 0.000 0.290 237 G C 1.338 176.245 174.900 0.012 0.000 1.310 237 G CA 0.345 45.445 45.100 0.000 0.000 1.025 237 G HN 0.608 nan 8.290 nan 0.000 0.502 238 A N -1.240 121.580 122.820 0.001 0.000 1.908 238 A HA -0.114 4.206 4.320 0.000 0.000 0.218 238 A C 1.902 179.522 177.584 0.059 0.000 1.181 238 A CA 2.149 54.192 52.037 0.011 0.000 0.627 238 A CB -1.098 17.862 19.000 -0.067 0.000 0.818 238 A HN 0.839 nan 8.150 nan 0.000 0.445 239 H N -0.523 118.514 119.070 -0.056 0.000 2.252 239 H HA -0.192 4.364 4.556 0.000 0.000 0.292 239 H C 2.706 178.001 175.328 -0.055 0.000 1.082 239 H CA 2.190 58.206 56.048 -0.055 0.000 1.229 239 H CB -0.006 29.723 29.762 -0.055 0.000 1.353 239 H HN 0.722 nan 8.280 nan 0.000 0.488 240 T N -1.712 112.866 114.554 0.039 0.000 2.812 240 T HA -0.147 4.203 4.350 0.000 0.000 0.264 240 T C 1.762 176.427 174.700 -0.058 0.000 1.042 240 T CA 1.185 63.249 62.100 -0.061 0.000 1.140 240 T CB -0.426 68.340 68.868 -0.171 0.000 0.870 240 T HN 0.398 nan 8.240 nan 0.000 0.445 241 H N -0.001 119.060 119.070 -0.014 0.000 2.545 241 H HA 0.221 4.777 4.556 0.000 0.000 0.282 241 H C 1.872 177.127 175.328 -0.123 0.000 1.020 241 H CA 1.295 57.303 56.048 -0.066 0.000 1.243 241 H CB 0.007 29.738 29.762 -0.052 0.000 1.377 241 H HN 0.438 nan 8.280 nan 0.000 0.581 242 M N -0.626 118.993 119.600 0.031 0.000 2.556 242 M HA 0.257 4.737 4.480 0.000 0.000 0.259 242 M C 2.088 178.401 176.300 0.021 0.000 1.175 242 M CA 1.396 56.681 55.300 -0.025 0.000 1.202 242 M CB -0.046 32.551 32.600 -0.005 0.000 1.298 242 M HN 0.013 nan 8.290 nan 0.000 0.492 243 A N -0.391 122.470 122.820 0.069 0.000 2.095 243 A HA 0.120 4.440 4.320 0.000 0.000 0.212 243 A C 1.925 179.632 177.584 0.205 0.000 1.162 243 A CA 0.858 52.987 52.037 0.154 0.000 0.753 243 A CB -0.198 18.829 19.000 0.044 0.000 0.840 243 A HN 0.535 nan 8.150 nan 0.000 0.468 244 K N -0.384 120.077 120.400 0.101 0.000 2.216 244 K HA 0.014 4.334 4.320 0.000 0.000 0.207 244 K C 2.177 178.833 176.600 0.093 0.000 1.041 244 K CA 1.083 57.434 56.287 0.107 0.000 0.966 244 K CB -0.087 32.434 32.500 0.034 0.000 0.955 244 K HN 0.444 nan 8.250 nan 0.000 0.468 245 S N 0.264 115.976 115.700 0.020 0.000 2.496 245 S HA 0.061 4.531 4.470 0.000 0.000 0.224 245 S C 1.336 175.800 174.600 -0.226 0.000 0.996 245 S CA 0.469 58.669 58.200 0.000 0.000 0.927 245 S CB -0.059 63.233 63.200 0.153 0.000 0.774 245 S HN 0.448 nan 8.310 nan 0.000 0.524 246 G N 0.764 109.229 108.800 -0.559 0.000 2.338 246 G HA2 -0.242 3.718 3.960 0.000 0.000 0.296 246 G HA3 -0.242 3.718 3.960 0.000 0.000 0.296 246 G C 0.398 174.952 174.900 -0.576 0.000 1.040 246 G CA 0.682 45.060 45.100 -1.203 0.000 1.004 246 G HN 0.551 nan 8.290 nan 0.000 0.509 247 T N -0.771 113.575 114.554 -0.348 0.000 3.038 247 T HA 0.515 4.865 4.350 0.000 0.000 0.244 247 T C 1.517 176.072 174.700 -0.242 0.000 1.016 247 T CA 1.024 62.965 62.100 -0.266 0.000 1.098 247 T CB 0.404 69.101 68.868 -0.285 0.000 0.954 247 T HN 1.327 nan 8.240 nan 0.000 0.469 248 A N 0.961 123.664 122.820 -0.195 0.000 2.331 248 A HA 0.499 4.819 4.320 0.000 0.000 0.283 248 A C 0.190 177.697 177.584 -0.128 0.000 1.142 248 A CA -0.309 51.680 52.037 -0.079 0.000 0.812 248 A CB 0.238 19.220 19.000 -0.030 0.000 1.074 248 A HN 0.434 nan 8.150 nan 0.000 0.497 249 H N -0.148 118.968 119.070 0.078 0.000 2.544 249 H HA 0.222 4.778 4.556 0.000 0.000 0.269 249 H C -0.783 174.619 175.328 0.124 0.000 0.970 249 H CA 1.411 57.554 56.048 0.158 0.000 1.219 249 H CB 0.198 30.168 29.762 0.346 0.000 1.421 249 H HN 0.644 nan 8.280 nan 0.000 0.555 250 Y N -0.247 120.013 120.300 -0.067 0.000 2.521 250 Y HA 0.540 5.090 4.550 0.000 0.000 0.332 250 Y C -1.665 174.105 175.900 -0.216 0.000 1.121 250 Y CA -1.893 56.029 58.100 -0.297 0.000 1.037 250 Y CB 1.238 39.135 38.460 -0.939 0.000 1.330 250 Y HN -0.098 nan 8.280 nan 0.000 0.452 251 A N 4.583 126.791 122.820 -1.020 0.000 2.786 251 A HA 0.789 5.109 4.320 0.000 0.000 0.346 251 A C -0.265 176.722 177.584 -0.994 0.000 1.265 251 A CA -0.048 51.552 52.037 -0.729 0.000 0.858 251 A CB -0.620 18.167 19.000 -0.355 0.000 1.118 251 A HN 1.191 nan 8.150 nan 0.000 0.482 252 A N 1.221 123.481 122.820 -0.933 0.000 2.466 252 A HA 0.425 4.745 4.320 0.000 0.000 0.238 252 A C 1.527 178.963 177.584 -0.248 0.000 1.074 252 A CA 0.439 52.204 52.037 -0.454 0.000 0.774 252 A CB 0.141 19.081 19.000 -0.100 0.000 1.015 252 A HN 1.711 nan 8.150 nan 0.000 0.498 253 S N 1.233 116.862 115.700 -0.119 0.000 2.470 253 S HA 0.380 4.850 4.470 0.000 0.000 0.225 253 S C 0.873 175.423 174.600 -0.082 0.000 1.006 253 S CA 0.553 58.702 58.200 -0.085 0.000 0.934 253 S CB -0.237 62.944 63.200 -0.031 0.000 0.778 253 S HN 1.729 nan 8.310 nan 0.000 0.517 254 G N -0.149 108.598 108.800 -0.088 0.000 2.687 254 G HA2 0.500 4.460 3.960 0.000 0.000 0.291 254 G HA3 0.500 4.460 3.960 0.000 0.000 0.291 254 G C -0.341 174.450 174.900 -0.181 0.000 1.420 254 G CA -0.615 44.422 45.100 -0.105 0.000 0.796 254 G HN 0.077 nan 8.290 nan 0.000 0.485 255 E N -0.721 119.343 120.200 -0.226 0.000 2.047 255 E HA -0.169 4.181 4.350 0.000 0.000 0.191 255 E C 2.267 178.445 176.600 -0.702 0.000 0.987 255 E CA 1.319 57.437 56.400 -0.470 0.000 0.799 255 E CB 0.079 29.587 29.700 -0.321 0.000 0.752 255 E HN 0.407 nan 8.360 nan 0.000 0.449 256 Q N 1.387 121.019 119.800 -0.281 0.000 2.096 256 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 256 Q C 1.603 177.571 176.000 -0.053 0.000 0.982 256 Q CA 1.980 57.744 55.803 -0.065 0.000 0.850 256 Q CB -0.318 28.455 28.738 0.058 0.000 0.901 256 Q HN 0.186 nan 8.270 nan 0.000 0.422 257 D N -0.779 119.589 120.400 -0.054 0.000 2.104 257 D HA -0.152 4.488 4.640 0.000 0.000 0.194 257 D C 1.661 178.008 176.300 0.078 0.000 0.994 257 D CA 1.774 55.802 54.000 0.045 0.000 0.830 257 D CB -0.406 40.432 40.800 0.063 0.000 0.959 257 D HN 0.326 nan 8.370 nan 0.000 0.452 258 A N -0.381 122.396 122.820 -0.072 0.000 1.892 258 A HA -0.170 4.150 4.320 0.000 0.000 0.218 258 A C 2.127 179.738 177.584 0.046 0.000 1.188 258 A CA 1.657 53.666 52.037 -0.046 0.000 0.631 258 A CB -1.216 17.615 19.000 -0.281 0.000 0.822 258 A HN 0.337 nan 8.150 nan 0.000 0.447 259 F N 0.807 120.815 119.950 0.098 0.000 2.134 259 F HA -0.121 4.406 4.527 0.000 0.000 0.299 259 F C 2.091 177.931 175.800 0.066 0.000 1.097 259 F CA 1.006 59.045 58.000 0.065 0.000 1.264 259 F CB -1.017 38.003 39.000 0.033 0.000 1.001 259 F HN 0.224 nan 8.300 nan 0.000 0.479 260 D N -1.037 119.503 120.400 0.233 0.000 2.149 260 D HA -0.241 4.399 4.640 0.000 0.000 0.198 260 D C 2.117 178.469 176.300 0.088 0.000 0.990 260 D CA 1.206 55.288 54.000 0.136 0.000 0.839 260 D CB -0.748 40.115 40.800 0.105 0.000 0.948 260 D HN 0.323 nan 8.370 nan 0.000 0.460 261 Y N 1.527 121.812 120.300 -0.026 0.000 2.114 261 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 261 Y C 2.371 178.212 175.900 -0.098 0.000 1.143 261 Y CA 1.218 59.227 58.100 -0.150 0.000 1.135 261 Y CB -0.294 37.998 38.460 -0.281 0.000 0.980 261 Y HN -0.221 nan 8.280 nan 0.000 0.499 262 V N 0.561 120.585 119.914 0.183 0.000 2.287 262 V HA -0.349 3.771 4.120 0.000 0.000 0.248 262 V C 2.459 178.541 176.094 -0.021 0.000 1.053 262 V CA 2.338 64.692 62.300 0.090 0.000 1.027 262 V CB -0.718 31.203 31.823 0.162 0.000 0.646 262 V HN 0.328 nan 8.190 nan 0.000 0.447 263 R N -0.408 120.099 120.500 0.011 0.000 2.091 263 R HA -0.245 4.095 4.340 0.000 0.000 0.238 263 R C 2.372 178.616 176.300 -0.093 0.000 1.136 263 R CA 2.070 58.154 56.100 -0.027 0.000 0.959 263 R CB -0.169 30.136 30.300 0.008 0.000 0.856 263 R HN 0.546 nan 8.270 nan 0.000 0.437 264 E N 0.419 120.542 120.200 -0.129 0.000 2.015 264 E HA -0.177 4.173 4.350 0.000 0.000 0.191 264 E C 1.791 178.294 176.600 -0.162 0.000 0.991 264 E CA 1.048 57.347 56.400 -0.168 0.000 0.802 264 E CB -0.371 29.205 29.700 -0.208 0.000 0.759 264 E HN 0.209 nan 8.360 nan 0.000 0.447 265 L N -0.013 121.042 121.223 -0.281 0.000 2.051 265 L HA -0.198 4.142 4.340 0.000 0.000 0.214 265 L C 1.947 178.664 176.870 -0.256 0.000 1.076 265 L CA 1.591 56.240 54.840 -0.318 0.000 0.758 265 L CB -0.508 41.278 42.059 -0.454 0.000 0.890 265 L HN 0.236 nan 8.230 nan 0.000 0.433 266 L N -0.580 120.519 121.223 -0.206 0.000 2.217 266 L HA -0.088 4.252 4.340 0.000 0.000 0.211 266 L C 2.801 179.548 176.870 -0.204 0.000 1.107 266 L CA 1.711 56.436 54.840 -0.191 0.000 0.783 266 L CB -1.186 40.796 42.059 -0.128 0.000 0.919 266 L HN 0.601 nan 8.230 nan 0.000 0.442 267 S N -1.515 114.039 115.700 -0.244 0.000 2.419 267 S HA -0.245 4.225 4.470 0.000 0.000 0.235 267 S C 2.001 176.310 174.600 -0.485 0.000 1.019 267 S CA 1.232 59.219 58.200 -0.355 0.000 0.982 267 S CB -0.674 62.246 63.200 -0.466 0.000 0.789 267 S HN 0.510 nan 8.310 nan 0.000 0.490 268 Y N 1.026 121.121 120.300 -0.342 0.000 2.397 268 Y HA 0.448 4.998 4.550 0.000 0.000 0.292 268 Y C 1.128 176.805 175.900 -0.371 0.000 1.115 268 Y CA -0.239 57.624 58.100 -0.395 0.000 1.208 268 Y CB 0.034 38.132 38.460 -0.603 0.000 1.046 268 Y HN 0.172 nan 8.280 nan 0.000 0.552 269 L N 2.184 123.262 121.223 -0.242 0.000 2.357 269 L HA 0.317 4.657 4.340 0.000 0.000 0.273 269 L C -2.229 174.541 176.870 -0.167 0.000 1.080 269 L CA -2.244 52.452 54.840 -0.241 0.000 0.803 269 L CB 0.904 42.749 42.059 -0.356 0.000 1.174 269 L HN -0.132 nan 8.230 nan 0.000 0.443 270 P HA 0.226 nan 4.420 nan 0.000 0.277 270 P C -2.264 174.992 177.300 -0.074 0.000 1.271 270 P CA -1.550 61.520 63.100 -0.051 0.000 0.795 270 P CB -0.005 31.712 31.700 0.028 0.000 1.101 271 P HA -0.116 nan 4.420 nan 0.000 0.216 271 P C -0.121 177.185 177.300 0.009 0.000 1.153 271 P CA 1.833 64.921 63.100 -0.021 0.000 0.848 271 P CB -0.130 31.569 31.700 -0.002 0.000 0.787 272 N N -2.021 116.716 118.700 0.063 0.000 2.934 272 N HA 0.055 4.795 4.740 0.000 0.000 0.253 272 N C 0.358 176.000 175.510 0.220 0.000 1.466 272 N CA -0.865 52.271 53.050 0.143 0.000 0.858 272 N CB -0.629 37.916 38.487 0.096 0.000 1.459 272 N HN -0.256 nan 8.380 nan 0.000 0.532 273 N N -0.757 118.094 118.700 0.252 0.000 2.573 273 N HA -0.067 4.673 4.740 0.000 0.000 0.187 273 N C -0.252 175.307 175.510 0.082 0.000 1.107 273 N CA 0.651 53.800 53.050 0.164 0.000 0.918 273 N CB -0.260 38.237 38.487 0.017 0.000 0.966 273 N HN 0.466 nan 8.380 nan 0.000 0.448 274 S N -0.921 114.824 115.700 0.075 0.000 2.535 274 S HA 0.109 4.579 4.470 0.000 0.000 0.214 274 S C 0.324 174.950 174.600 0.042 0.000 0.980 274 S CA -0.150 58.076 58.200 0.045 0.000 0.907 274 S CB 0.375 63.597 63.200 0.035 0.000 0.790 274 S HN 0.355 nan 8.310 nan 0.000 0.510 275 T N 2.403 116.991 114.554 0.056 0.000 2.918 275 T HA 0.315 4.665 4.350 0.000 0.000 0.286 275 T C -0.457 174.273 174.700 0.049 0.000 1.026 275 T CA -0.765 61.361 62.100 0.044 0.000 1.031 275 T CB 1.271 70.161 68.868 0.037 0.000 1.046 275 T HN 0.013 nan 8.240 nan 0.000 0.479 276 D N 1.228 121.650 120.400 0.036 0.000 2.371 276 D HA 0.397 5.037 4.640 0.000 0.000 0.242 276 D C 0.165 176.485 176.300 0.033 0.000 1.218 276 D CA -0.144 53.878 54.000 0.037 0.000 0.945 276 D CB 0.783 41.600 40.800 0.029 0.000 1.137 276 D HN 0.631 nan 8.370 nan 0.000 0.464 277 A N 1.797 124.637 122.820 0.033 0.000 2.366 277 A HA 0.374 4.694 4.320 0.000 0.000 0.272 277 A C -2.095 175.487 177.584 -0.003 0.000 1.135 277 A CA -1.101 50.944 52.037 0.014 0.000 0.804 277 A CB 0.080 19.096 19.000 0.026 0.000 1.064 277 A HN 0.302 nan 8.150 nan 0.000 0.499 278 P HA 0.152 nan 4.420 nan 0.000 0.265 278 P C -0.618 176.658 177.300 -0.040 0.000 1.193 278 P CA 0.345 63.434 63.100 -0.018 0.000 0.765 278 P CB 0.570 32.255 31.700 -0.025 0.000 0.823 279 R N 2.267 122.780 120.500 0.023 0.000 2.787 279 R HA 0.514 4.854 4.340 0.000 0.000 0.271 279 R C -0.021 176.408 176.300 0.214 0.000 0.993 279 R CA -0.775 55.348 56.100 0.038 0.000 0.993 279 R CB 1.623 31.953 30.300 0.049 0.000 1.155 279 R HN 0.506 nan 8.270 nan 0.000 0.486 280 Y N 0.418 120.712 120.300 -0.011 0.000 2.488 280 Y HA 0.135 4.685 4.550 0.000 0.000 0.325 280 Y C 0.775 176.674 175.900 -0.003 0.000 1.204 280 Y CA -1.309 56.782 58.100 -0.016 0.000 1.229 280 Y CB 1.366 39.814 38.460 -0.020 0.000 1.274 280 Y HN 0.204 nan 8.280 nan 0.000 0.493 281 Q N 1.455 121.332 119.800 0.129 0.000 2.304 281 Q HA 0.053 4.393 4.340 0.000 0.000 0.315 281 Q C -0.786 175.261 176.000 0.078 0.000 1.075 281 Q CA 0.055 55.898 55.803 0.066 0.000 0.988 281 Q CB 0.769 29.517 28.738 0.017 0.000 1.146 281 Q HN 0.654 nan 8.270 nan 0.000 0.383 282 A N 2.884 125.739 122.820 0.059 0.000 2.288 282 A HA 0.695 5.015 4.320 0.000 0.000 0.320 282 A C -0.411 177.195 177.584 0.035 0.000 1.217 282 A CA -0.191 51.878 52.037 0.053 0.000 0.840 282 A CB 0.987 20.016 19.000 0.049 0.000 1.179 282 A HN 0.739 nan 8.150 nan 0.000 0.504 283 A N 1.768 124.608 122.820 0.033 0.000 2.388 283 A HA 0.620 4.940 4.320 0.000 0.000 0.257 283 A C 0.533 178.126 177.584 0.016 0.000 1.095 283 A CA 0.238 52.288 52.037 0.021 0.000 0.791 283 A CB 0.308 19.320 19.000 0.020 0.000 1.029 283 A HN 2.070 nan 8.150 nan 0.000 0.489 284 A N 4.163 126.988 122.820 0.009 0.000 2.511 284 A HA 0.625 4.945 4.320 0.000 0.000 0.340 284 A C -1.659 175.924 177.584 -0.001 0.000 1.396 284 A CA -1.183 50.856 52.037 0.004 0.000 0.887 284 A CB -0.429 18.573 19.000 0.003 0.000 1.145 284 A HN 0.781 nan 8.150 nan 0.000 0.497 285 P HA 0.386 nan 4.420 nan 0.000 0.276 285 P C -0.211 177.081 177.300 -0.014 0.000 1.252 285 P CA -0.097 62.998 63.100 -0.009 0.000 0.802 285 P CB 0.928 32.621 31.700 -0.012 0.000 1.035 286 T N -1.539 113.007 114.554 -0.014 0.000 2.723 286 T HA 0.442 4.792 4.350 0.000 0.000 0.297 286 T C 0.903 175.589 174.700 -0.023 0.000 0.925 286 T CA -0.573 61.517 62.100 -0.016 0.000 1.030 286 T CB 0.039 68.900 68.868 -0.012 0.000 0.905 286 T HN 0.574 nan 8.240 nan 0.000 0.502 287 G N 5.051 113.834 108.800 -0.028 0.000 2.794 287 G HA2 0.386 4.346 3.960 0.000 0.000 0.249 287 G HA3 0.386 4.346 3.960 0.000 0.000 0.249 287 G C -1.677 173.204 174.900 -0.031 0.000 1.236 287 G CA -1.000 44.077 45.100 -0.037 0.000 0.880 287 G HN 0.672 nan 8.290 nan 0.000 0.586 288 P HA 0.245 nan 4.420 nan 0.000 0.333 288 P C 1.037 178.285 177.300 -0.086 0.000 1.315 288 P CA -0.419 62.649 63.100 -0.054 0.000 0.746 288 P CB 1.124 32.803 31.700 -0.037 0.000 1.575 289 I N -0.276 120.214 120.570 -0.134 0.000 2.480 289 I HA -0.113 4.057 4.170 0.000 0.000 0.251 289 I C 2.335 178.293 176.117 -0.266 0.000 1.124 289 I CA 0.877 62.047 61.300 -0.216 0.000 1.444 289 I CB -0.559 37.251 38.000 -0.317 0.000 1.098 289 I HN 0.347 nan 8.210 nan 0.000 0.428 290 E N 1.252 121.313 120.200 -0.232 0.000 2.268 290 E HA -0.259 4.091 4.350 0.000 0.000 0.195 290 E C 1.437 177.999 176.600 -0.063 0.000 0.995 290 E CA 1.081 57.401 56.400 -0.133 0.000 0.836 290 E CB -0.449 29.257 29.700 0.010 0.000 0.763 290 E HN 0.567 nan 8.360 nan 0.000 0.491 291 E N 0.372 120.537 120.200 -0.058 0.000 2.489 291 E HA 0.024 4.374 4.350 0.000 0.000 0.193 291 E C 0.044 176.622 176.600 -0.037 0.000 1.057 291 E CA 0.007 56.387 56.400 -0.034 0.000 0.866 291 E CB 0.154 29.839 29.700 -0.025 0.000 0.916 291 E HN 0.150 nan 8.360 nan 0.000 0.500 292 N N -0.077 118.590 118.700 -0.056 0.000 2.416 292 N HA 0.186 4.926 4.740 0.000 0.000 0.267 292 N C -1.145 174.338 175.510 -0.045 0.000 1.294 292 N CA -0.080 52.944 53.050 -0.044 0.000 0.891 292 N CB 0.795 39.255 38.487 -0.045 0.000 1.238 292 N HN -0.026 nan 8.380 nan 0.000 0.508 293 L N 1.627 122.822 121.223 -0.046 0.000 2.295 293 L HA 0.272 4.612 4.340 0.000 0.000 0.288 293 L C 0.869 177.734 176.870 -0.009 0.000 1.079 293 L CA -0.471 54.351 54.840 -0.031 0.000 0.830 293 L CB 0.151 42.196 42.059 -0.024 0.000 1.200 293 L HN 0.246 nan 8.230 nan 0.000 0.438 294 T N -2.060 112.493 114.554 -0.002 0.000 2.802 294 T HA 0.025 4.375 4.350 0.000 0.000 0.305 294 T C 0.937 175.640 174.700 0.006 0.000 1.053 294 T CA -0.733 61.370 62.100 0.005 0.000 1.058 294 T CB 1.019 69.894 68.868 0.011 0.000 0.988 294 T HN 0.468 nan 8.240 nan 0.000 0.539 295 D N -0.068 120.336 120.400 0.007 0.000 2.218 295 D HA -0.111 4.529 4.640 0.000 0.000 0.204 295 D C 1.753 178.058 176.300 0.007 0.000 0.976 295 D CA 1.170 55.173 54.000 0.005 0.000 0.853 295 D CB -0.073 40.731 40.800 0.006 0.000 0.939 295 D HN 0.870 nan 8.370 nan 0.000 0.481 296 E N 0.753 120.961 120.200 0.014 0.000 2.072 296 E HA -0.157 4.193 4.350 0.000 0.000 0.191 296 E C 1.288 177.899 176.600 0.018 0.000 0.985 296 E CA 0.867 57.279 56.400 0.019 0.000 0.801 296 E CB 0.261 29.977 29.700 0.028 0.000 0.750 296 E HN 0.091 nan 8.360 nan 0.000 0.452 297 D N 0.790 121.201 120.400 0.019 0.000 2.117 297 D HA -0.175 4.465 4.640 0.000 0.000 0.197 297 D C 2.154 178.451 176.300 -0.004 0.000 0.987 297 D CA 0.933 54.945 54.000 0.020 0.000 0.829 297 D CB -0.211 40.603 40.800 0.024 0.000 0.961 297 D HN 0.302 nan 8.370 nan 0.000 0.460 298 L N 0.980 122.198 121.223 -0.008 0.000 2.191 298 L HA -0.135 4.205 4.340 0.000 0.000 0.212 298 L C 2.245 179.087 176.870 -0.047 0.000 1.103 298 L CA 0.931 55.755 54.840 -0.027 0.000 0.769 298 L CB -0.469 41.582 42.059 -0.015 0.000 0.908 298 L HN -0.002 nan 8.230 nan 0.000 0.438 299 E N 0.414 120.597 120.200 -0.029 0.000 2.204 299 E HA -0.206 4.144 4.350 0.000 0.000 0.195 299 E C 2.298 178.865 176.600 -0.055 0.000 0.990 299 E CA 0.953 57.335 56.400 -0.029 0.000 0.821 299 E CB -0.153 29.546 29.700 -0.002 0.000 0.750 299 E HN 0.531 nan 8.360 nan 0.000 0.477 300 L N 1.063 122.241 121.223 -0.076 0.000 2.141 300 L HA -0.157 4.183 4.340 0.000 0.000 0.209 300 L C 1.761 178.441 176.870 -0.317 0.000 1.094 300 L CA 0.688 55.439 54.840 -0.149 0.000 0.763 300 L CB -0.227 41.748 42.059 -0.140 0.000 0.908 300 L HN -0.000 nan 8.230 nan 0.000 0.437 301 D N -0.481 119.755 120.400 -0.272 0.000 2.311 301 D HA -0.152 4.488 4.640 0.000 0.000 0.212 301 D C 1.958 178.126 176.300 -0.220 0.000 0.972 301 D CA 1.778 55.603 54.000 -0.291 0.000 0.887 301 D CB 0.064 40.752 40.800 -0.186 0.000 0.915 301 D HN 0.451 nan 8.370 nan 0.000 0.497 302 T N -3.309 111.150 114.554 -0.160 0.000 2.975 302 T HA 0.153 4.503 4.350 0.000 0.000 0.261 302 T C 1.888 176.530 174.700 -0.098 0.000 0.984 302 T CA -0.325 61.709 62.100 -0.110 0.000 0.911 302 T CB -0.184 68.642 68.868 -0.071 0.000 1.127 302 T HN 0.058 nan 8.240 nan 0.000 0.514 303 L N 1.094 122.256 121.223 -0.102 0.000 1.997 303 L HA 0.034 4.374 4.340 0.000 0.000 0.216 303 L C 0.422 177.207 176.870 -0.143 0.000 1.074 303 L CA 1.319 56.115 54.840 -0.073 0.000 0.763 303 L CB -0.373 41.678 42.059 -0.014 0.000 0.890 303 L HN 0.235 nan 8.230 nan 0.000 0.434 304 I N 1.514 121.975 120.570 -0.182 0.000 2.664 304 I HA 0.018 4.188 4.170 0.000 0.000 0.284 304 I C -1.678 174.344 176.117 -0.159 0.000 1.154 304 I CA -1.519 59.621 61.300 -0.267 0.000 1.402 304 I CB -0.858 37.057 38.000 -0.142 0.000 1.395 304 I HN 0.091 nan 8.210 nan 0.000 0.545 305 P HA 0.007 nan 4.420 nan 0.000 0.270 305 P C 0.501 177.783 177.300 -0.030 0.000 1.221 305 P CA -0.052 63.019 63.100 -0.048 0.000 0.788 305 P CB 0.833 32.533 31.700 -0.001 0.000 0.904 306 D N -1.083 119.311 120.400 -0.009 0.000 2.120 306 D HA -0.054 4.586 4.640 0.000 0.000 0.202 306 D C 0.743 177.051 176.300 0.014 0.000 0.972 306 D CA 1.157 55.157 54.000 -0.001 0.000 0.837 306 D CB -0.369 40.432 40.800 0.002 0.000 0.989 306 D HN 0.221 nan 8.370 nan 0.000 0.469 307 S N 1.347 117.060 115.700 0.023 0.000 2.531 307 S HA 0.090 4.560 4.470 0.000 0.000 0.279 307 S C -1.540 173.088 174.600 0.046 0.000 1.305 307 S CA -1.260 56.961 58.200 0.036 0.000 1.058 307 S CB 1.215 64.437 63.200 0.037 0.000 0.899 307 S HN -0.039 nan 8.310 nan 0.000 0.493 308 P HA -0.016 nan 4.420 nan 0.000 0.230 308 P C 0.119 177.470 177.300 0.084 0.000 1.158 308 P CA 0.786 63.929 63.100 0.071 0.000 0.769 308 P CB 0.116 31.867 31.700 0.084 0.000 0.807 309 N N -0.761 117.985 118.700 0.077 0.000 2.184 309 N HA 0.027 4.767 4.740 0.000 0.000 0.206 309 N C 0.633 176.191 175.510 0.079 0.000 1.151 309 N CA 0.026 53.123 53.050 0.079 0.000 0.878 309 N CB 0.355 38.883 38.487 0.068 0.000 1.014 309 N HN 0.343 nan 8.380 nan 0.000 0.512 310 Q N 2.396 122.247 119.800 0.085 0.000 2.307 310 Q HA 0.241 4.581 4.340 0.000 0.000 0.259 310 Q C -2.472 173.619 176.000 0.150 0.000 0.998 310 Q CA -1.522 54.336 55.803 0.091 0.000 0.923 310 Q CB 0.892 29.674 28.738 0.073 0.000 1.196 310 Q HN -0.048 nan 8.270 nan 0.000 0.416 311 P HA 0.021 nan 4.420 nan 0.000 0.270 311 P C -1.595 175.836 177.300 0.219 0.000 1.223 311 P CA 0.280 63.454 63.100 0.124 0.000 0.785 311 P CB 0.248 31.968 31.700 0.033 0.000 0.923 312 Y N -2.086 118.225 120.300 0.018 0.000 2.656 312 Y HA 0.557 5.107 4.550 0.000 0.000 0.334 312 Y C -1.384 174.533 175.900 0.028 0.000 1.179 312 Y CA -1.653 56.462 58.100 0.026 0.000 1.050 312 Y CB 0.479 38.961 38.460 0.035 0.000 1.308 312 Y HN 0.103 nan 8.280 nan 0.000 0.456 313 D N 2.018 122.462 120.400 0.074 0.000 2.316 313 D HA 0.142 4.782 4.640 0.000 0.000 0.245 313 D C 0.584 176.906 176.300 0.036 0.000 1.171 313 D CA -0.295 53.709 54.000 0.006 0.000 0.856 313 D CB 1.616 42.461 40.800 0.074 0.000 1.090 313 D HN 0.778 nan 8.370 nan 0.000 0.476 314 M N 3.800 123.325 119.600 -0.124 0.000 2.460 314 M HA -0.067 4.413 4.480 0.000 0.000 0.263 314 M C 0.880 177.149 176.300 -0.052 0.000 1.071 314 M CA 1.586 56.829 55.300 -0.094 0.000 1.096 314 M CB -0.362 32.102 32.600 -0.228 0.000 1.408 314 M HN 0.491 nan 8.290 nan 0.000 0.463 315 H N -0.042 118.982 119.070 -0.077 0.000 2.456 315 H HA -0.051 4.505 4.556 0.000 0.000 0.296 315 H C 1.702 177.003 175.328 -0.046 0.000 1.079 315 H CA 1.602 57.593 56.048 -0.096 0.000 1.322 315 H CB 0.026 29.753 29.762 -0.058 0.000 1.388 315 H HN 0.382 nan 8.280 nan 0.000 0.538 316 E N 0.079 120.363 120.200 0.140 0.000 2.333 316 E HA -0.099 4.251 4.350 0.000 0.000 0.198 316 E C 2.049 178.715 176.600 0.110 0.000 1.007 316 E CA 0.537 57.011 56.400 0.124 0.000 0.845 316 E CB 0.047 29.840 29.700 0.155 0.000 0.766 316 E HN 0.362 nan 8.360 nan 0.000 0.507 317 V N 0.613 120.585 119.914 0.097 0.000 2.575 317 V HA -0.080 4.040 4.120 0.000 0.000 0.242 317 V C 2.282 178.377 176.094 0.001 0.000 1.045 317 V CA 0.610 62.971 62.300 0.101 0.000 1.065 317 V CB -0.260 31.628 31.823 0.108 0.000 0.717 317 V HN 0.145 nan 8.190 nan 0.000 0.467 318 I N 1.682 122.181 120.570 -0.119 0.000 2.179 318 I HA -0.248 3.922 4.170 0.000 0.000 0.242 318 I C 2.795 178.816 176.117 -0.160 0.000 1.088 318 I CA 2.155 63.304 61.300 -0.250 0.000 1.357 318 I CB -0.954 36.694 38.000 -0.587 0.000 1.051 318 I HN 0.498 nan 8.210 nan 0.000 0.409 319 T N -1.032 113.470 114.554 -0.087 0.000 2.881 319 T HA -0.143 4.207 4.350 0.000 0.000 0.270 319 T C 1.914 176.629 174.700 0.024 0.000 1.068 319 T CA 0.942 63.038 62.100 -0.008 0.000 1.131 319 T CB -0.356 68.535 68.868 0.039 0.000 0.871 319 T HN 0.336 nan 8.240 nan 0.000 0.479 320 R N 0.103 120.623 120.500 0.033 0.000 2.275 320 R HA 0.361 4.701 4.340 0.000 0.000 0.199 320 R C 2.064 178.400 176.300 0.060 0.000 0.989 320 R CA 0.294 56.426 56.100 0.054 0.000 1.016 320 R CB -0.127 30.214 30.300 0.070 0.000 0.918 320 R HN 0.415 nan 8.270 nan 0.000 0.473 321 L N 0.170 121.421 121.223 0.047 0.000 2.316 321 L HA 0.156 4.496 4.340 0.000 0.000 0.207 321 L C 0.801 177.705 176.870 0.057 0.000 1.070 321 L CA 0.156 55.031 54.840 0.059 0.000 0.820 321 L CB 0.036 42.122 42.059 0.046 0.000 0.992 321 L HN 0.041 nan 8.230 nan 0.000 0.466 322 L N 0.462 121.711 121.223 0.043 0.000 2.464 322 L HA 0.032 4.372 4.340 0.000 0.000 0.264 322 L C 0.477 177.400 176.870 0.088 0.000 1.199 322 L CA -0.372 54.513 54.840 0.075 0.000 0.818 322 L CB 0.349 42.459 42.059 0.084 0.000 1.102 322 L HN 0.047 nan 8.230 nan 0.000 0.473 323 D N 0.991 121.455 120.400 0.106 0.000 2.355 323 D HA -0.018 4.622 4.640 0.000 0.000 0.253 323 D C -0.600 175.766 176.300 0.110 0.000 1.187 323 D CA 0.431 54.493 54.000 0.104 0.000 0.900 323 D CB -0.580 40.290 40.800 0.116 0.000 0.915 323 D HN 0.396 nan 8.370 nan 0.000 0.516 324 D N 1.152 121.618 120.400 0.109 0.000 5.167 324 D HA -0.174 4.466 4.640 0.000 0.000 0.237 324 D C -0.117 176.268 176.300 0.142 0.000 1.278 324 D CA 0.932 55.000 54.000 0.113 0.000 1.266 324 D CB -0.336 40.517 40.800 0.090 0.000 0.704 324 D HN 0.329 nan 8.370 nan 0.000 0.350 325 E N 1.530 121.837 120.200 0.179 0.000 4.468 325 E HA 0.125 4.475 4.350 0.000 0.000 0.329 325 E C -2.315 174.465 176.600 0.301 0.000 1.153 325 E CA -0.337 56.188 56.400 0.209 0.000 0.675 325 E CB -0.576 29.243 29.700 0.198 0.000 1.022 325 E HN 0.248 nan 8.360 nan 0.000 0.624 326 F N 5.719 125.719 119.950 0.083 0.000 2.427 326 F HA 0.631 5.158 4.527 0.000 0.000 0.348 326 F C -1.490 174.322 175.800 0.020 0.000 1.125 326 F CA -1.336 56.691 58.000 0.045 0.000 0.989 326 F CB 0.966 39.995 39.000 0.048 0.000 1.165 326 F HN 0.441 nan 8.300 nan 0.000 0.442 327 L N 6.462 127.414 121.223 -0.451 0.000 2.259 327 L HA 0.383 4.723 4.340 0.000 0.000 0.288 327 L C -0.156 176.198 176.870 -0.860 0.000 1.051 327 L CA 0.054 54.585 54.840 -0.515 0.000 0.824 327 L CB 0.478 42.290 42.059 -0.412 0.000 1.206 327 L HN 0.701 nan 8.230 nan 0.000 0.429 328 E N 4.213 123.986 120.200 -0.712 0.000 2.313 328 E HA 0.360 4.710 4.350 0.000 0.000 0.272 328 E C -0.914 175.593 176.600 -0.155 0.000 1.038 328 E CA -0.701 55.327 56.400 -0.619 0.000 0.863 328 E CB 0.961 30.497 29.700 -0.273 0.000 1.060 328 E HN 0.476 nan 8.360 nan 0.000 0.402 329 I N 3.533 124.011 120.570 -0.153 0.000 2.412 329 I HA 0.066 4.236 4.170 0.000 0.000 0.296 329 I C 0.070 176.231 176.117 0.074 0.000 0.987 329 I CA -0.143 61.201 61.300 0.073 0.000 1.180 329 I CB 1.397 39.452 38.000 0.092 0.000 1.340 329 I HN 0.833 nan 8.210 nan 0.000 0.455 330 Q N 3.170 123.054 119.800 0.140 0.000 2.423 330 Q HA -0.245 4.095 4.340 0.000 0.000 0.332 330 Q C 1.127 177.185 176.000 0.096 0.000 1.355 330 Q CA 0.670 56.529 55.803 0.094 0.000 0.947 330 Q CB -1.195 27.592 28.738 0.081 0.000 1.189 330 Q HN 0.832 nan 8.270 nan 0.000 0.418 331 A N -0.122 122.756 122.820 0.098 0.000 2.121 331 A HA 0.042 4.362 4.320 0.000 0.000 0.218 331 A C 1.785 179.400 177.584 0.052 0.000 1.154 331 A CA 1.351 53.437 52.037 0.082 0.000 0.679 331 A CB 0.067 19.135 19.000 0.114 0.000 0.795 331 A HN 0.640 nan 8.150 nan 0.000 0.458 332 G N -2.375 106.461 108.800 0.061 0.000 3.609 332 G HA2 0.397 4.357 3.960 0.000 0.000 0.280 332 G HA3 0.397 4.357 3.960 0.000 0.000 0.280 332 G C -0.406 174.553 174.900 0.099 0.000 1.155 332 G CA -0.077 45.047 45.100 0.041 0.000 0.876 332 G HN 0.323 nan 8.290 nan 0.000 0.535 333 Y N 0.011 120.270 120.300 -0.068 0.000 2.470 333 Y HA 0.477 5.027 4.550 0.000 0.000 0.341 333 Y C 0.053 175.896 175.900 -0.095 0.000 1.021 333 Y CA -1.009 57.049 58.100 -0.070 0.000 1.025 333 Y CB 1.991 40.421 38.460 -0.050 0.000 1.266 333 Y HN 0.543 nan 8.280 nan 0.000 0.448 334 A N 5.013 127.437 122.820 -0.659 0.000 2.136 334 A HA -0.228 4.092 4.320 0.000 0.000 0.274 334 A C 0.917 178.261 177.584 -0.399 0.000 1.388 334 A CA 1.047 52.762 52.037 -0.537 0.000 0.741 334 A CB -1.267 17.417 19.000 -0.526 0.000 1.173 334 A HN 0.792 nan 8.150 nan 0.000 0.329 335 Q N 1.271 120.706 119.800 -0.608 0.000 2.226 335 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 335 Q C 1.743 177.450 176.000 -0.488 0.000 0.975 335 Q CA 1.576 57.000 55.803 -0.631 0.000 0.866 335 Q CB -0.484 27.637 28.738 -1.029 0.000 0.915 335 Q HN 1.150 nan 8.270 nan 0.000 0.440 336 N N 0.547 118.971 118.700 -0.459 0.000 2.635 336 N HA -0.090 4.650 4.740 0.000 0.000 0.191 336 N C 0.215 175.671 175.510 -0.089 0.000 1.155 336 N CA 0.351 53.329 53.050 -0.120 0.000 0.927 336 N CB 0.076 38.659 38.487 0.159 0.000 0.976 336 N HN 0.209 nan 8.380 nan 0.000 0.448 337 I N -0.089 120.404 120.570 -0.129 0.000 2.644 337 I HA 0.307 4.477 4.170 0.000 0.000 0.291 337 I C -1.586 174.461 176.117 -0.117 0.000 1.180 337 I CA -0.944 60.291 61.300 -0.109 0.000 1.040 337 I CB 2.502 40.456 38.000 -0.077 0.000 1.255 337 I HN -0.260 nan 8.210 nan 0.000 0.422 338 V N 7.745 127.580 119.914 -0.130 0.000 2.378 338 V HA 0.673 4.793 4.120 0.000 0.000 0.288 338 V C -0.504 175.504 176.094 -0.143 0.000 1.016 338 V CA -0.528 61.702 62.300 -0.118 0.000 0.840 338 V CB 1.614 33.318 31.823 -0.198 0.000 0.994 338 V HN 0.603 nan 8.190 nan 0.000 0.431 339 V N 2.509 122.300 119.914 -0.204 0.000 2.914 339 V HA 1.155 5.275 4.120 0.000 0.000 0.314 339 V C -0.014 175.725 176.094 -0.592 0.000 1.084 339 V CA -0.033 61.961 62.300 -0.511 0.000 0.963 339 V CB 1.625 32.909 31.823 -0.897 0.000 1.025 339 V HN 1.183 nan 8.190 nan 0.000 0.432 340 G N 1.538 109.872 108.800 -0.777 0.000 2.328 340 G HA2 0.524 4.484 3.960 0.000 0.000 0.295 340 G HA3 0.524 4.484 3.960 0.000 0.000 0.295 340 G C -1.997 172.641 174.900 -0.437 0.000 1.413 340 G CA -0.793 43.858 45.100 -0.748 0.000 0.817 340 G HN 0.720 nan 8.290 nan 0.000 0.546 341 F N 0.330 120.095 119.950 -0.309 0.000 2.422 341 F HA 0.805 5.332 4.527 0.000 0.000 0.333 341 F C 0.999 176.549 175.800 -0.416 0.000 1.095 341 F CA 0.507 58.267 58.000 -0.400 0.000 1.038 341 F CB 2.217 40.647 39.000 -0.950 0.000 1.156 341 F HN 0.807 nan 8.300 nan 0.000 0.483 342 G N 2.148 110.981 108.800 0.056 0.000 2.645 342 G HA2 0.685 4.645 3.960 0.000 0.000 0.292 342 G HA3 0.685 4.645 3.960 0.000 0.000 0.292 342 G C -1.666 173.408 174.900 0.291 0.000 1.415 342 G CA -1.080 44.161 45.100 0.235 0.000 0.785 342 G HN 0.472 nan 8.290 nan 0.000 0.483 343 R N -0.972 119.685 120.500 0.262 0.000 2.803 343 R HA 0.697 5.037 4.340 0.000 0.000 0.276 343 R C -1.146 175.233 176.300 0.132 0.000 0.978 343 R CA -0.831 55.375 56.100 0.177 0.000 0.939 343 R CB 2.501 32.861 30.300 0.099 0.000 1.179 343 R HN 0.361 nan 8.270 nan 0.000 0.472 344 I N 1.704 122.338 120.570 0.107 0.000 2.497 344 I HA 0.088 4.258 4.170 0.000 0.000 0.284 344 I C -0.659 175.506 176.117 0.080 0.000 1.060 344 I CA -0.262 61.093 61.300 0.093 0.000 1.071 344 I CB 1.844 39.899 38.000 0.092 0.000 1.216 344 I HN 0.714 nan 8.210 nan 0.000 0.442 345 D N 4.970 125.417 120.400 0.077 0.000 2.870 345 D HA -0.185 4.455 4.640 0.000 0.000 0.228 345 D C 1.073 177.418 176.300 0.075 0.000 1.147 345 D CA 1.837 55.879 54.000 0.069 0.000 0.757 345 D CB -0.718 40.115 40.800 0.057 0.000 1.091 345 D HN 1.122 nan 8.370 nan 0.000 0.429 346 G N -0.814 108.038 108.800 0.085 0.000 2.225 346 G HA2 -0.367 3.593 3.960 0.000 0.000 0.254 346 G HA3 -0.367 3.593 3.960 0.000 0.000 0.254 346 G C 0.395 175.311 174.900 0.026 0.000 0.988 346 G CA 0.339 45.492 45.100 0.088 0.000 0.625 346 G HN 0.581 nan 8.290 nan 0.000 0.527 347 R N 1.323 121.850 120.500 0.045 0.000 2.265 347 R HA 0.462 4.802 4.340 0.000 0.000 0.314 347 R C -2.651 173.690 176.300 0.068 0.000 1.053 347 R CA -1.729 54.397 56.100 0.044 0.000 0.931 347 R CB 0.927 31.263 30.300 0.059 0.000 1.024 347 R HN 0.130 nan 8.270 nan 0.000 0.457 348 P HA 0.022 nan 4.420 nan 0.000 0.271 348 P C -0.841 176.572 177.300 0.189 0.000 1.216 348 P CA -0.241 62.961 63.100 0.170 0.000 0.771 348 P CB 1.001 32.789 31.700 0.147 0.000 0.864 349 V N 0.377 120.435 119.914 0.241 0.000 3.159 349 V HA 0.937 5.057 4.120 0.000 0.000 0.308 349 V C -0.202 176.077 176.094 0.308 0.000 1.190 349 V CA -1.147 61.292 62.300 0.231 0.000 1.037 349 V CB 1.889 33.812 31.823 0.166 0.000 1.060 349 V HN 0.562 nan 8.190 nan 0.000 0.437 350 G N 2.175 111.139 108.800 0.273 0.000 2.368 350 G HA2 0.666 4.626 3.960 0.000 0.000 0.320 350 G HA3 0.666 4.626 3.960 0.000 0.000 0.320 350 G C -0.846 174.226 174.900 0.287 0.000 1.158 350 G CA -0.599 44.692 45.100 0.319 0.000 0.912 350 G HN 0.562 nan 8.290 nan 0.000 0.456 351 I N 1.885 122.576 120.570 0.201 0.000 2.437 351 I HA 0.412 4.582 4.170 0.000 0.000 0.298 351 I C -0.291 175.817 176.117 -0.015 0.000 0.984 351 I CA -0.944 60.404 61.300 0.080 0.000 1.214 351 I CB 1.779 39.797 38.000 0.030 0.000 1.365 351 I HN 0.088 nan 8.210 nan 0.000 0.469 352 V N 5.293 125.193 119.914 -0.023 0.000 2.516 352 V HA 0.610 4.730 4.120 0.000 0.000 0.271 352 V C -0.047 175.985 176.094 -0.103 0.000 0.992 352 V CA -0.477 61.787 62.300 -0.061 0.000 0.857 352 V CB 1.355 33.201 31.823 0.037 0.000 1.047 352 V HN 0.894 nan 8.190 nan 0.000 0.455 353 A N 3.844 126.574 122.820 -0.149 0.000 2.384 353 A HA 0.857 5.177 4.320 0.000 0.000 0.312 353 A C -0.392 177.089 177.584 -0.171 0.000 1.113 353 A CA -0.807 51.125 52.037 -0.174 0.000 0.779 353 A CB 1.257 20.129 19.000 -0.214 0.000 1.307 353 A HN 0.727 nan 8.150 nan 0.000 0.436 354 N N 0.570 119.166 118.700 -0.174 0.000 2.530 354 N HA 0.436 5.176 4.740 0.000 0.000 0.277 354 N C -0.474 174.925 175.510 -0.185 0.000 1.168 354 N CA -0.174 52.780 53.050 -0.160 0.000 0.979 354 N CB 0.767 39.159 38.487 -0.159 0.000 1.141 354 N HN 0.577 nan 8.380 nan 0.000 0.459 355 Q N 2.333 122.041 119.800 -0.153 0.000 2.506 355 Q HA 0.354 4.694 4.340 0.000 0.000 0.242 355 Q C -2.255 173.649 176.000 -0.160 0.000 1.060 355 Q CA -2.256 53.449 55.803 -0.163 0.000 0.826 355 Q CB 1.278 29.952 28.738 -0.106 0.000 1.169 355 Q HN 0.360 nan 8.270 nan 0.000 0.521 356 P HA -0.174 nan 4.420 nan 0.000 0.218 356 P C 0.572 177.788 177.300 -0.140 0.000 1.146 356 P CA 1.605 64.562 63.100 -0.239 0.000 0.813 356 P CB 0.183 31.596 31.700 -0.478 0.000 0.778 357 T N -5.912 108.559 114.554 -0.138 0.000 3.160 357 T HA -0.063 4.287 4.350 0.000 0.000 0.257 357 T C 0.272 174.944 174.700 -0.047 0.000 1.147 357 T CA 0.375 62.432 62.100 -0.072 0.000 1.064 357 T CB -0.941 67.895 68.868 -0.052 0.000 0.949 357 T HN 0.168 nan 8.240 nan 0.000 0.526 358 H N -0.806 118.166 119.070 -0.164 0.000 3.108 358 H HA 0.413 4.969 4.556 0.000 0.000 0.329 358 H C -0.443 174.781 175.328 -0.172 0.000 0.978 358 H CA -1.444 54.436 56.048 -0.280 0.000 1.413 358 H CB 0.300 29.832 29.762 -0.383 0.000 1.670 358 H HN 0.168 nan 8.280 nan 0.000 0.512 359 F N 3.068 122.923 119.950 -0.160 0.000 3.006 359 F HA -0.353 4.174 4.527 0.000 0.000 0.289 359 F C 1.332 177.098 175.800 -0.056 0.000 0.772 359 F CA 0.351 58.302 58.000 -0.082 0.000 1.162 359 F CB -1.549 37.449 39.000 -0.004 0.000 1.382 359 F HN 0.823 nan 8.300 nan 0.000 0.406 360 A N -1.070 121.806 122.820 0.092 0.000 2.861 360 A HA 0.010 4.330 4.320 0.000 0.000 0.261 360 A C 1.913 179.500 177.584 0.004 0.000 1.351 360 A CA 1.919 53.976 52.037 0.033 0.000 0.904 360 A CB -1.941 17.085 19.000 0.043 0.000 1.076 360 A HN 2.387 nan 8.150 nan 0.000 0.729 361 G N -3.540 105.274 108.800 0.023 0.000 2.175 361 G HA2 -0.137 3.823 3.960 0.000 0.000 0.244 361 G HA3 -0.137 3.823 3.960 0.000 0.000 0.244 361 G C 0.761 175.651 174.900 -0.017 0.000 0.982 361 G CA 0.430 45.512 45.100 -0.029 0.000 0.641 361 G HN 1.722 nan 8.290 nan 0.000 0.527 362 C N 1.078 120.401 119.300 0.039 0.000 2.665 362 C HA 0.461 4.921 4.460 0.000 0.000 0.416 362 C C 1.549 176.543 174.990 0.008 0.000 1.305 362 C CA -0.002 59.003 59.018 -0.021 0.000 1.903 362 C CB -0.433 27.301 27.740 -0.010 0.000 2.704 362 C HN 0.500 nan 8.230 nan 0.000 0.629 363 L N 3.444 124.611 121.223 -0.093 0.000 2.431 363 L HA 0.536 4.876 4.340 0.000 0.000 0.260 363 L C 0.089 177.027 176.870 0.114 0.000 1.098 363 L CA 0.068 54.914 54.840 0.009 0.000 0.800 363 L CB 0.974 43.018 42.059 -0.024 0.000 1.210 363 L HN 0.817 nan 8.230 nan 0.000 0.465 364 D N -0.864 119.616 120.400 0.133 0.000 2.838 364 D HA 0.205 4.845 4.640 0.000 0.000 0.334 364 D C 0.615 176.969 176.300 0.090 0.000 1.315 364 D CA -0.656 53.401 54.000 0.096 0.000 0.917 364 D CB 0.437 41.253 40.800 0.026 0.000 1.435 364 D HN 0.274 nan 8.370 nan 0.000 0.517 365 I N 0.289 120.892 120.570 0.055 0.000 2.127 365 I HA -0.257 3.913 4.170 0.000 0.000 0.241 365 I C 1.964 178.126 176.117 0.075 0.000 1.075 365 I CA 1.408 62.744 61.300 0.060 0.000 1.334 365 I CB -0.619 37.411 38.000 0.051 0.000 1.040 365 I HN 0.367 nan 8.210 nan 0.000 0.405 366 N N 0.858 119.588 118.700 0.050 0.000 2.043 366 N HA -0.193 4.547 4.740 0.000 0.000 0.193 366 N C 1.997 177.516 175.510 0.015 0.000 1.037 366 N CA 1.283 54.343 53.050 0.017 0.000 0.851 366 N CB -0.268 38.056 38.487 -0.273 0.000 1.027 366 N HN 0.339 nan 8.380 nan 0.000 0.422 367 A N 0.980 123.789 122.820 -0.018 0.000 1.908 367 A HA -0.160 4.160 4.320 0.000 0.000 0.218 367 A C 2.394 180.013 177.584 0.059 0.000 1.181 367 A CA 1.649 53.688 52.037 0.002 0.000 0.627 367 A CB -0.659 18.347 19.000 0.011 0.000 0.818 367 A HN 0.214 nan 8.150 nan 0.000 0.445 368 S N -0.249 115.501 115.700 0.083 0.000 2.353 368 S HA -0.202 4.268 4.470 0.000 0.000 0.222 368 S C 1.886 176.553 174.600 0.113 0.000 1.035 368 S CA 1.687 59.948 58.200 0.102 0.000 1.025 368 S CB -0.388 62.878 63.200 0.110 0.000 0.902 368 S HN 0.724 nan 8.310 nan 0.000 0.440 369 E N 0.947 121.219 120.200 0.120 0.000 2.077 369 E HA -0.176 4.174 4.350 0.000 0.000 0.193 369 E C 2.186 178.878 176.600 0.153 0.000 0.989 369 E CA 0.965 57.442 56.400 0.128 0.000 0.800 369 E CB -0.137 29.642 29.700 0.131 0.000 0.746 369 E HN 0.421 nan 8.360 nan 0.000 0.452 370 K N 0.922 121.432 120.400 0.184 0.000 2.032 370 K HA -0.192 4.128 4.320 0.000 0.000 0.209 370 K C 2.133 178.838 176.600 0.175 0.000 1.048 370 K CA 1.446 57.849 56.287 0.192 0.000 0.927 370 K CB -0.133 32.492 32.500 0.210 0.000 0.712 370 K HN 0.090 nan 8.250 nan 0.000 0.441 371 A N 1.004 123.908 122.820 0.140 0.000 1.872 371 A HA -0.014 4.306 4.320 0.000 0.000 0.214 371 A C 2.369 180.084 177.584 0.218 0.000 1.187 371 A CA 1.662 53.795 52.037 0.161 0.000 0.614 371 A CB -0.874 18.184 19.000 0.097 0.000 0.826 371 A HN 0.506 nan 8.150 nan 0.000 0.442 372 A N 0.111 123.035 122.820 0.173 0.000 1.873 372 A HA -0.262 4.058 4.320 0.000 0.000 0.218 372 A C 2.208 179.891 177.584 0.165 0.000 1.193 372 A CA 2.506 54.643 52.037 0.167 0.000 0.629 372 A CB -0.531 18.553 19.000 0.140 0.000 0.826 372 A HN 0.483 nan 8.150 nan 0.000 0.447 373 R N -1.307 119.291 120.500 0.164 0.000 2.096 373 R HA -0.106 4.234 4.340 0.000 0.000 0.235 373 R C 1.794 178.196 176.300 0.171 0.000 1.127 373 R CA 1.846 58.033 56.100 0.145 0.000 0.968 373 R CB -0.871 29.519 30.300 0.150 0.000 0.861 373 R HN 0.506 nan 8.270 nan 0.000 0.440 374 F N -0.200 119.812 119.950 0.102 0.000 2.134 374 F HA -0.138 4.389 4.527 0.000 0.000 0.299 374 F C 1.852 177.706 175.800 0.089 0.000 1.097 374 F CA 1.506 59.566 58.000 0.101 0.000 1.264 374 F CB -0.401 38.638 39.000 0.064 0.000 1.001 374 F HN -0.132 nan 8.300 nan 0.000 0.479 375 V N 0.686 120.672 119.914 0.121 0.000 2.295 375 V HA -0.302 3.818 4.120 0.000 0.000 0.246 375 V C 2.527 178.597 176.094 -0.041 0.000 1.049 375 V CA 2.286 64.611 62.300 0.043 0.000 1.024 375 V CB -0.658 31.266 31.823 0.169 0.000 0.648 375 V HN 0.254 nan 8.190 nan 0.000 0.447 376 R N -0.457 120.044 120.500 0.001 0.000 2.096 376 R HA -0.131 4.209 4.340 0.000 0.000 0.235 376 R C 2.394 178.637 176.300 -0.095 0.000 1.127 376 R CA 1.885 57.968 56.100 -0.028 0.000 0.968 376 R CB -0.558 29.754 30.300 0.020 0.000 0.861 376 R HN 0.541 nan 8.270 nan 0.000 0.440 377 T N -0.007 114.490 114.554 -0.095 0.000 2.708 377 T HA -0.178 4.172 4.350 0.000 0.000 0.266 377 T C 2.038 176.727 174.700 -0.018 0.000 1.037 377 T CA 1.280 63.342 62.100 -0.064 0.000 1.146 377 T CB -0.383 68.467 68.868 -0.031 0.000 0.865 377 T HN 0.346 nan 8.240 nan 0.000 0.435 378 C N 1.396 120.623 119.300 -0.122 0.000 2.413 378 C HA -0.117 4.343 4.460 0.000 0.000 0.276 378 C C 2.696 177.670 174.990 -0.026 0.000 1.236 378 C CA 0.883 59.873 59.018 -0.045 0.000 1.735 378 C CB -1.049 26.581 27.740 -0.183 0.000 2.031 378 C HN 0.643 nan 8.230 nan 0.000 0.474 379 D N -0.457 119.890 120.400 -0.090 0.000 2.097 379 D HA -0.138 4.502 4.640 0.000 0.000 0.195 379 D C 2.080 178.286 176.300 -0.157 0.000 0.989 379 D CA 1.485 55.423 54.000 -0.103 0.000 0.827 379 D CB -0.324 40.409 40.800 -0.111 0.000 0.966 379 D HN 0.472 nan 8.370 nan 0.000 0.456 380 C N -0.523 118.609 119.300 -0.281 0.000 2.398 380 C HA -0.146 4.314 4.460 0.000 0.000 0.276 380 C C 1.868 176.509 174.990 -0.581 0.000 1.222 380 C CA 0.627 59.320 59.018 -0.542 0.000 1.746 380 C CB -1.366 25.803 27.740 -0.951 0.000 2.039 380 C HN 0.327 nan 8.230 nan 0.000 0.470 381 F N 1.482 121.433 119.950 0.002 0.000 2.798 381 F HA 0.236 4.763 4.527 0.000 0.000 0.291 381 F C 0.608 176.413 175.800 0.008 0.000 1.174 381 F CA -0.262 57.743 58.000 0.009 0.000 1.392 381 F CB -0.860 38.151 39.000 0.019 0.000 0.966 381 F HN 0.240 nan 8.300 nan 0.000 0.509 382 N N 1.817 120.567 118.700 0.084 0.000 2.669 382 N HA -0.238 4.502 4.740 0.000 0.000 0.266 382 N C -0.695 174.865 175.510 0.085 0.000 1.024 382 N CA 0.684 53.771 53.050 0.061 0.000 0.766 382 N CB -1.435 37.086 38.487 0.056 0.000 0.898 382 N HN 0.462 nan 8.380 nan 0.000 0.548 383 I N 0.326 120.952 120.570 0.095 0.000 2.411 383 I HA 0.256 4.426 4.170 0.000 0.000 0.284 383 I C -2.147 174.029 176.117 0.098 0.000 1.012 383 I CA -2.001 59.374 61.300 0.126 0.000 1.119 383 I CB 2.023 40.152 38.000 0.215 0.000 1.261 383 I HN -0.225 nan 8.210 nan 0.000 0.448 384 P HA 0.015 nan 4.420 nan 0.000 0.266 384 P C -0.690 176.667 177.300 0.095 0.000 1.180 384 P CA 0.469 63.614 63.100 0.075 0.000 0.765 384 P CB 0.465 32.215 31.700 0.082 0.000 0.806 385 I N 2.411 123.030 120.570 0.081 0.000 2.390 385 I HA 0.196 4.366 4.170 0.000 0.000 0.283 385 I C -0.478 175.720 176.117 0.136 0.000 1.016 385 I CA -0.770 60.604 61.300 0.124 0.000 1.151 385 I CB 1.363 39.440 38.000 0.128 0.000 1.293 385 I HN -0.053 nan 8.210 nan 0.000 0.458 386 V N 7.679 127.668 119.914 0.125 0.000 2.328 386 V HA 0.420 4.540 4.120 0.000 0.000 0.278 386 V C 0.146 176.272 176.094 0.053 0.000 1.021 386 V CA -0.480 61.871 62.300 0.086 0.000 0.838 386 V CB 1.308 33.175 31.823 0.073 0.000 0.999 386 V HN 0.705 nan 8.190 nan 0.000 0.447 387 M N 5.506 125.118 119.600 0.020 0.000 2.311 387 M HA 0.685 5.165 4.480 0.000 0.000 0.325 387 M C -1.169 175.064 176.300 -0.112 0.000 1.061 387 M CA -0.606 54.668 55.300 -0.042 0.000 0.957 387 M CB 1.772 34.345 32.600 -0.045 0.000 1.646 387 M HN 0.261 nan 8.290 nan 0.000 0.434 388 L N 4.318 125.450 121.223 -0.150 0.000 2.342 388 L HA 0.421 4.761 4.340 0.000 0.000 0.285 388 L C -0.544 176.198 176.870 -0.212 0.000 1.095 388 L CA -0.844 53.869 54.840 -0.211 0.000 0.843 388 L CB 0.482 42.409 42.059 -0.221 0.000 1.201 388 L HN 0.579 nan 8.230 nan 0.000 0.445 389 V N 2.968 122.745 119.914 -0.229 0.000 2.465 389 V HA 0.261 4.381 4.120 0.000 0.000 0.279 389 V C -0.025 175.948 176.094 -0.201 0.000 1.045 389 V CA 0.047 62.222 62.300 -0.209 0.000 0.938 389 V CB 1.580 33.282 31.823 -0.202 0.000 0.986 389 V HN 0.775 nan 8.190 nan 0.000 0.467 390 D N 3.641 123.933 120.400 -0.180 0.000 3.784 390 D HA 0.097 4.737 4.640 0.000 0.000 0.261 390 D C -1.355 174.849 176.300 -0.160 0.000 1.391 390 D CA -0.061 53.848 54.000 -0.152 0.000 0.797 390 D CB 0.970 41.715 40.800 -0.090 0.000 1.391 390 D HN 0.332 nan 8.370 nan 0.000 0.734 391 V N 2.589 122.383 119.914 -0.200 0.000 2.487 391 V HA 0.620 4.740 4.120 0.000 0.000 0.298 391 V C -1.854 174.093 176.094 -0.245 0.000 1.028 391 V CA -2.041 60.136 62.300 -0.205 0.000 0.860 391 V CB 2.411 34.095 31.823 -0.231 0.000 0.991 391 V HN 0.070 nan 8.190 nan 0.000 0.427 392 P HA 0.290 nan 4.420 nan 0.000 0.240 392 P C 0.592 177.883 177.300 -0.014 0.000 1.190 392 P CA 1.388 64.438 63.100 -0.085 0.000 0.781 392 P CB 0.626 32.341 31.700 0.025 0.000 0.931 393 G N -0.409 108.274 108.800 -0.194 0.000 2.366 393 G HA2 0.165 4.125 3.960 0.000 0.000 0.190 393 G HA3 0.165 4.125 3.960 0.000 0.000 0.190 393 G C -1.779 172.771 174.900 -0.585 0.000 1.299 393 G CA -0.806 44.093 45.100 -0.335 0.000 1.056 393 G HN -0.003 nan 8.290 nan 0.000 0.468 394 F N 0.486 120.431 119.950 -0.010 0.000 2.495 394 F HA 0.660 5.187 4.527 0.000 0.000 0.327 394 F C 0.412 176.162 175.800 -0.082 0.000 1.103 394 F CA -0.838 57.137 58.000 -0.041 0.000 0.949 394 F CB 1.913 40.889 39.000 -0.039 0.000 1.142 394 F HN 0.437 nan 8.300 nan 0.000 0.457 395 L N 5.739 126.966 121.223 0.007 0.000 2.628 395 L HA 0.198 4.538 4.340 0.000 0.000 0.274 395 L C -2.452 174.352 176.870 -0.111 0.000 1.209 395 L CA -1.065 53.675 54.840 -0.167 0.000 0.930 395 L CB -0.461 41.334 42.059 -0.439 0.000 1.183 395 L HN 0.309 nan 8.230 nan 0.000 0.492 396 P HA 0.636 nan 4.420 nan 0.000 0.274 396 P C -0.625 176.601 177.300 -0.124 0.000 1.231 396 P CA -0.285 62.764 63.100 -0.084 0.000 0.790 396 P CB 1.274 32.939 31.700 -0.059 0.000 0.951 397 G N -0.360 108.365 108.800 -0.124 0.000 2.343 397 G HA2 0.214 4.174 3.960 0.000 0.000 0.298 397 G HA3 0.214 4.174 3.960 0.000 0.000 0.298 397 G C 0.514 175.285 174.900 -0.215 0.000 1.644 397 G CA -0.030 44.979 45.100 -0.152 0.000 0.958 397 G HN 0.492 nan 8.290 nan 0.000 0.702 398 T N -2.013 112.367 114.554 -0.290 0.000 2.857 398 T HA -0.008 4.342 4.350 0.000 0.000 0.266 398 T C 1.444 175.694 174.700 -0.750 0.000 1.048 398 T CA 2.128 63.884 62.100 -0.573 0.000 1.139 398 T CB -0.077 68.415 68.868 -0.627 0.000 0.874 398 T HN 0.342 nan 8.240 nan 0.000 0.455 399 D N 1.174 121.338 120.400 -0.392 0.000 2.178 399 D HA -0.085 4.555 4.640 0.000 0.000 0.201 399 D C 2.386 178.621 176.300 -0.108 0.000 0.980 399 D CA 0.795 54.688 54.000 -0.180 0.000 0.842 399 D CB -0.162 40.606 40.800 -0.053 0.000 0.948 399 D HN 0.399 nan 8.370 nan 0.000 0.472 400 Q N 0.532 120.249 119.800 -0.139 0.000 2.124 400 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 400 Q C 1.991 177.948 176.000 -0.072 0.000 0.977 400 Q CA 0.846 56.596 55.803 -0.087 0.000 0.850 400 Q CB -0.007 28.670 28.738 -0.101 0.000 0.901 400 Q HN 0.424 nan 8.270 nan 0.000 0.429 401 E N -0.287 119.835 120.200 -0.131 0.000 2.072 401 E HA -0.111 4.239 4.350 0.000 0.000 0.190 401 E C 1.949 178.612 176.600 0.104 0.000 0.982 401 E CA 0.702 57.068 56.400 -0.057 0.000 0.803 401 E CB -0.138 29.498 29.700 -0.106 0.000 0.755 401 E HN 0.399 nan 8.360 nan 0.000 0.453 402 Y N 1.157 121.446 120.300 -0.018 0.000 2.274 402 Y HA -0.061 4.489 4.550 0.000 0.000 0.290 402 Y C 1.575 177.470 175.900 -0.009 0.000 1.145 402 Y CA 0.567 58.659 58.100 -0.012 0.000 1.203 402 Y CB -0.871 37.584 38.460 -0.009 0.000 0.984 402 Y HN 0.130 nan 8.280 nan 0.000 0.533 403 N N -0.704 118.087 118.700 0.152 0.000 2.322 403 N HA 0.232 4.972 4.740 0.000 0.000 0.194 403 N C 0.501 176.044 175.510 0.056 0.000 1.126 403 N CA 0.365 53.468 53.050 0.088 0.000 0.845 403 N CB 0.262 38.791 38.487 0.071 0.000 0.976 403 N HN 0.303 nan 8.380 nan 0.000 0.475 404 G N 1.813 110.643 108.800 0.051 0.000 2.545 404 G HA2 -0.220 3.740 3.960 0.000 0.000 0.279 404 G HA3 -0.220 3.740 3.960 0.000 0.000 0.279 404 G C 0.493 175.393 174.900 0.001 0.000 1.131 404 G CA -0.362 44.752 45.100 0.023 0.000 1.100 404 G HN 0.285 nan 8.290 nan 0.000 0.525 405 I N 0.189 120.746 120.570 -0.021 0.000 2.439 405 I HA 0.084 4.253 4.170 0.000 0.000 0.251 405 I C 2.383 178.448 176.117 -0.087 0.000 1.139 405 I CA 1.101 62.371 61.300 -0.050 0.000 1.438 405 I CB -0.177 37.774 38.000 -0.082 0.000 1.085 405 I HN 0.539 nan 8.210 nan 0.000 0.427 406 I N 0.249 120.768 120.570 -0.085 0.000 2.133 406 I HA -0.259 3.911 4.170 0.000 0.000 0.238 406 I C 2.704 178.789 176.117 -0.054 0.000 1.074 406 I CA 1.559 62.802 61.300 -0.094 0.000 1.342 406 I CB -0.635 37.323 38.000 -0.069 0.000 1.053 406 I HN 0.206 nan 8.210 nan 0.000 0.404 407 R N 1.486 121.969 120.500 -0.028 0.000 2.088 407 R HA -0.158 4.182 4.340 0.000 0.000 0.232 407 R C 2.560 178.855 176.300 -0.007 0.000 1.136 407 R CA 1.729 57.821 56.100 -0.014 0.000 0.926 407 R CB -0.192 30.104 30.300 -0.007 0.000 0.837 407 R HN 0.236 nan 8.270 nan 0.000 0.429 408 R N -0.428 120.073 120.500 0.001 0.000 2.092 408 R HA -0.027 4.313 4.340 0.000 0.000 0.231 408 R C 2.432 178.749 176.300 0.028 0.000 1.119 408 R CA 1.161 57.272 56.100 0.018 0.000 0.970 408 R CB -0.537 29.781 30.300 0.030 0.000 0.864 408 R HN 0.475 nan 8.270 nan 0.000 0.440 409 G N 1.411 110.217 108.800 0.009 0.000 2.442 409 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 409 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 409 G C 1.564 176.488 174.900 0.040 0.000 1.141 409 G CA 0.780 45.893 45.100 0.022 0.000 0.763 409 G HN 0.404 nan 8.290 nan 0.000 0.554 410 A N 0.635 123.466 122.820 0.019 0.000 2.125 410 A HA 0.027 4.347 4.320 0.000 0.000 0.219 410 A C 2.240 179.884 177.584 0.100 0.000 1.156 410 A CA 1.744 53.811 52.037 0.049 0.000 0.671 410 A CB -0.294 18.726 19.000 0.033 0.000 0.794 410 A HN 0.427 nan 8.150 nan 0.000 0.459 411 K N -0.462 119.990 120.400 0.086 0.000 2.103 411 K HA -0.085 4.235 4.320 0.000 0.000 0.207 411 K C 1.837 178.538 176.600 0.167 0.000 1.048 411 K CA 1.280 57.633 56.287 0.111 0.000 0.930 411 K CB -0.344 32.199 32.500 0.072 0.000 0.716 411 K HN 0.506 nan 8.250 nan 0.000 0.444 412 L N 1.073 122.380 121.223 0.141 0.000 2.017 412 L HA -0.201 4.139 4.340 0.000 0.000 0.208 412 L C 2.302 179.268 176.870 0.160 0.000 1.073 412 L CA 1.102 56.029 54.840 0.146 0.000 0.745 412 L CB -0.193 41.933 42.059 0.112 0.000 0.894 412 L HN 0.240 nan 8.230 nan 0.000 0.432 413 L N -1.450 119.856 121.223 0.138 0.000 1.990 413 L HA -0.341 3.999 4.340 0.000 0.000 0.213 413 L C 2.507 179.464 176.870 0.145 0.000 1.072 413 L CA 1.855 56.769 54.840 0.123 0.000 0.755 413 L CB -0.644 41.475 42.059 0.099 0.000 0.889 413 L HN 0.281 nan 8.230 nan 0.000 0.432 414 Y N 0.068 120.406 120.300 0.065 0.000 2.114 414 Y HA -0.336 4.214 4.550 0.000 0.000 0.284 414 Y C 2.463 178.398 175.900 0.058 0.000 1.143 414 Y CA 1.682 59.813 58.100 0.052 0.000 1.135 414 Y CB -0.346 38.137 38.460 0.038 0.000 0.980 414 Y HN 0.160 nan 8.280 nan 0.000 0.499 415 A N -0.524 122.470 122.820 0.289 0.000 1.883 415 A HA -0.297 4.023 4.320 0.000 0.000 0.217 415 A C 2.176 179.808 177.584 0.080 0.000 1.186 415 A CA 1.999 54.152 52.037 0.194 0.000 0.624 415 A CB -1.669 17.452 19.000 0.200 0.000 0.822 415 A HN 0.737 nan 8.150 nan 0.000 0.444 416 Y N 0.445 120.745 120.300 -0.001 0.000 2.163 416 Y HA -0.007 4.543 4.550 0.000 0.000 0.288 416 Y C 2.520 178.373 175.900 -0.078 0.000 1.136 416 Y CA 1.516 59.598 58.100 -0.031 0.000 1.147 416 Y CB -0.614 37.832 38.460 -0.023 0.000 0.987 416 Y HN 0.264 nan 8.280 nan 0.000 0.509 417 G N -0.564 108.254 108.800 0.030 0.000 2.470 417 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 417 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 417 G C 1.508 176.281 174.900 -0.213 0.000 1.121 417 G CA 0.921 45.970 45.100 -0.086 0.000 0.766 417 G HN 0.520 nan 8.290 nan 0.000 0.553 418 E N 0.325 120.359 120.200 -0.277 0.000 2.122 418 E HA 0.254 4.604 4.350 0.000 0.000 0.190 418 E C 1.664 178.144 176.600 -0.201 0.000 0.977 418 E CA 0.157 56.386 56.400 -0.285 0.000 0.820 418 E CB -0.047 29.441 29.700 -0.354 0.000 0.770 418 E HN 0.304 nan 8.360 nan 0.000 0.462 419 A N 0.733 123.425 122.820 -0.215 0.000 2.555 419 A HA 0.016 4.336 4.320 0.000 0.000 0.233 419 A C 0.915 178.380 177.584 -0.200 0.000 1.060 419 A CA 0.974 52.888 52.037 -0.207 0.000 0.759 419 A CB 0.176 19.016 19.000 -0.266 0.000 0.995 419 A HN 0.380 nan 8.150 nan 0.000 0.506 420 T N -1.002 113.466 114.554 -0.143 0.000 3.043 420 T HA 0.342 4.692 4.350 0.000 0.000 0.272 420 T C 0.411 175.059 174.700 -0.087 0.000 0.990 420 T CA 0.460 62.493 62.100 -0.111 0.000 0.897 420 T CB -1.220 67.599 68.868 -0.082 0.000 1.111 420 T HN 1.368 nan 8.240 nan 0.000 0.529 421 V N -0.444 119.415 119.914 -0.090 0.000 3.003 421 V HA 0.529 4.649 4.120 0.000 0.000 0.305 421 V C -2.807 173.256 176.094 -0.052 0.000 1.078 421 V CA -2.554 59.714 62.300 -0.053 0.000 1.083 421 V CB -0.039 31.761 31.823 -0.038 0.000 1.039 421 V HN -0.047 nan 8.190 nan 0.000 0.481 422 P HA 0.154 nan 4.420 nan 0.000 0.260 422 P C -0.952 176.347 177.300 -0.001 0.000 1.172 422 P CA 0.578 63.678 63.100 -0.000 0.000 0.760 422 P CB 0.059 31.774 31.700 0.026 0.000 0.773 423 K N 3.736 124.133 120.400 -0.004 0.000 2.376 423 K HA 0.624 4.944 4.320 0.000 0.000 0.257 423 K C -0.467 176.180 176.600 0.078 0.000 0.939 423 K CA -0.409 55.892 56.287 0.023 0.000 0.809 423 K CB 1.672 34.134 32.500 -0.064 0.000 1.121 423 K HN 0.368 nan 8.250 nan 0.000 0.425 424 I N 1.973 122.603 120.570 0.100 0.000 2.478 424 I HA 0.274 4.444 4.170 0.000 0.000 0.287 424 I C -0.675 175.482 176.117 0.066 0.000 1.042 424 I CA -0.672 60.678 61.300 0.084 0.000 1.067 424 I CB 2.397 40.447 38.000 0.083 0.000 1.233 424 I HN 0.492 nan 8.210 nan 0.000 0.431 425 T N 5.356 119.929 114.554 0.031 0.000 2.856 425 T HA 0.608 4.958 4.350 0.000 0.000 0.283 425 T C -0.521 174.135 174.700 -0.074 0.000 1.008 425 T CA -0.499 61.581 62.100 -0.033 0.000 0.997 425 T CB 2.200 71.029 68.868 -0.066 0.000 0.992 425 T HN 0.220 nan 8.240 nan 0.000 0.454 426 V N 4.442 124.274 119.914 -0.137 0.000 2.447 426 V HA 0.421 4.541 4.120 0.000 0.000 0.292 426 V C -0.312 175.588 176.094 -0.323 0.000 1.021 426 V CA -0.758 61.412 62.300 -0.216 0.000 0.850 426 V CB 1.340 33.021 31.823 -0.237 0.000 1.005 426 V HN 0.821 nan 8.190 nan 0.000 0.426 427 I N 4.652 125.051 120.570 -0.285 0.000 2.322 427 I HA 0.172 4.342 4.170 0.000 0.000 0.292 427 I C 1.677 177.542 176.117 -0.420 0.000 1.060 427 I CA 0.086 61.219 61.300 -0.279 0.000 1.309 427 I CB 1.714 39.632 38.000 -0.137 0.000 1.415 427 I HN 0.822 nan 8.210 nan 0.000 0.492 428 T N 3.137 117.373 114.554 -0.529 0.000 3.009 428 T HA 0.108 4.458 4.350 0.000 0.000 0.258 428 T C 1.255 175.878 174.700 -0.128 0.000 1.063 428 T CA 0.470 62.200 62.100 -0.617 0.000 1.139 428 T CB 0.494 68.893 68.868 -0.782 0.000 0.890 428 T HN 0.633 nan 8.240 nan 0.000 0.471 429 R N 0.139 120.574 120.500 -0.108 0.000 2.868 429 R HA 0.404 4.744 4.340 0.000 0.000 0.094 429 R C -0.902 175.327 176.300 -0.118 0.000 0.704 429 R CA -0.705 55.368 56.100 -0.045 0.000 0.526 429 R CB 0.371 30.690 30.300 0.032 0.000 0.443 429 R HN -0.007 nan 8.270 nan 0.000 0.332 430 K N 0.499 120.799 120.400 -0.166 0.000 2.414 430 K HA 0.344 4.664 4.320 0.000 0.000 0.272 430 K C -1.049 175.310 176.600 -0.401 0.000 0.993 430 K CA 0.765 56.814 56.287 -0.396 0.000 0.964 430 K CB 1.171 33.400 32.500 -0.452 0.000 0.925 430 K HN 0.493 nan 8.250 nan 0.000 0.487 431 A N 3.311 125.795 122.820 -0.560 0.000 2.664 431 A HA 0.292 4.612 4.320 0.000 0.000 0.300 431 A C -1.810 175.686 177.584 -0.146 0.000 1.210 431 A CA -0.790 51.099 52.037 -0.247 0.000 0.863 431 A CB 0.122 19.113 19.000 -0.015 0.000 1.464 431 A HN 0.491 nan 8.150 nan 0.000 0.438 432 Y N 0.629 120.933 120.300 0.007 0.000 2.487 432 Y HA 0.705 5.255 4.550 0.000 0.000 0.337 432 Y C 1.389 177.306 175.900 0.028 0.000 1.076 432 Y CA -0.243 57.858 58.100 0.001 0.000 1.115 432 Y CB 1.088 39.540 38.460 -0.012 0.000 1.235 432 Y HN 1.373 nan 8.280 nan 0.000 0.468 433 G N 1.249 110.179 108.800 0.216 0.000 2.568 433 G HA2 -0.319 3.641 3.960 0.000 0.000 0.334 433 G HA3 -0.319 3.641 3.960 0.000 0.000 0.334 433 G C 1.383 176.415 174.900 0.219 0.000 1.348 433 G CA 0.594 45.795 45.100 0.170 0.000 0.949 433 G HN 1.275 nan 8.290 nan 0.000 0.532 434 G N -0.303 108.651 108.800 0.257 0.000 2.545 434 G HA2 0.062 4.022 3.960 0.000 0.000 0.222 434 G HA3 0.062 4.022 3.960 0.000 0.000 0.222 434 G C 2.193 177.262 174.900 0.283 0.000 1.126 434 G CA 3.190 48.480 45.100 0.317 0.000 0.754 434 G HN 1.906 nan 8.290 nan 0.000 0.583 435 A N 0.109 122.977 122.820 0.080 0.000 1.948 435 A HA -0.118 4.202 4.320 0.000 0.000 0.220 435 A C 2.185 179.704 177.584 -0.108 0.000 1.177 435 A CA 1.886 53.756 52.037 -0.278 0.000 0.636 435 A CB -0.674 18.007 19.000 -0.533 0.000 0.815 435 A HN 0.656 nan 8.150 nan 0.000 0.449 436 Y N 0.168 120.407 120.300 -0.101 0.000 2.181 436 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 436 Y C 2.443 178.282 175.900 -0.102 0.000 1.146 436 Y CA 1.493 59.532 58.100 -0.102 0.000 1.164 436 Y CB -0.814 37.614 38.460 -0.054 0.000 0.982 436 Y HN 0.375 nan 8.280 nan 0.000 0.515 437 C N -0.726 118.475 119.300 -0.165 0.000 2.442 437 C HA -0.178 4.282 4.460 0.000 0.000 0.279 437 C C 2.848 177.669 174.990 -0.281 0.000 1.237 437 C CA 1.275 60.141 59.018 -0.254 0.000 1.722 437 C CB -1.447 26.293 27.740 0.000 0.000 2.056 437 C HN 0.552 nan 8.230 nan 0.000 0.469 438 V N 0.702 120.536 119.914 -0.133 0.000 2.913 438 V HA -0.019 4.101 4.120 0.000 0.000 0.260 438 V C 1.317 177.234 176.094 -0.294 0.000 1.098 438 V CA 1.517 63.742 62.300 -0.126 0.000 1.121 438 V CB -0.477 31.372 31.823 0.044 0.000 0.714 438 V HN 0.517 nan 8.190 nan 0.000 0.487 439 M N 1.505 120.891 119.600 -0.357 0.000 3.376 439 M HA 0.382 4.862 4.480 0.000 0.000 0.218 439 M C 1.126 177.087 176.300 -0.564 0.000 1.295 439 M CA 0.054 55.111 55.300 -0.404 0.000 1.386 439 M CB -1.319 31.095 32.600 -0.310 0.000 1.205 439 M HN 0.500 nan 8.290 nan 0.000 0.496 440 G N 1.892 110.157 108.800 -0.892 0.000 2.367 440 G HA2 -0.205 3.755 3.960 0.000 0.000 0.295 440 G HA3 -0.205 3.755 3.960 0.000 0.000 0.295 440 G C 0.264 174.872 174.900 -0.488 0.000 1.019 440 G CA 0.485 44.949 45.100 -1.060 0.000 1.224 440 G HN 0.722 nan 8.290 nan 0.000 0.510 441 S N -0.524 114.877 115.700 -0.498 0.000 2.617 441 S HA 0.628 5.098 4.470 0.000 0.000 0.269 441 S C 1.541 176.036 174.600 -0.174 0.000 1.292 441 S CA 0.281 58.174 58.200 -0.512 0.000 1.010 441 S CB 2.048 64.765 63.200 -0.804 0.000 0.944 441 S HN 0.589 nan 8.310 nan 0.000 0.536 442 K N 1.166 121.515 120.400 -0.085 0.000 2.015 442 K HA -0.181 4.139 4.320 0.000 0.000 0.216 442 K C 1.160 177.761 176.600 0.002 0.000 1.052 442 K CA 2.283 58.580 56.287 0.017 0.000 0.937 442 K CB -0.898 31.663 32.500 0.101 0.000 0.719 442 K HN 0.741 nan 8.250 nan 0.000 0.446 443 D N -0.508 119.858 120.400 -0.058 0.000 2.392 443 D HA -0.104 4.536 4.640 0.000 0.000 0.228 443 D C 0.991 177.277 176.300 -0.022 0.000 1.003 443 D CA 0.537 54.512 54.000 -0.041 0.000 0.917 443 D CB 0.133 40.880 40.800 -0.089 0.000 0.890 443 D HN 0.233 nan 8.370 nan 0.000 0.532 444 M N -0.928 118.665 119.600 -0.013 0.000 2.431 444 M HA 0.159 4.639 4.480 0.000 0.000 0.237 444 M C 1.121 177.486 176.300 0.108 0.000 1.130 444 M CA 0.108 55.436 55.300 0.046 0.000 1.002 444 M CB 0.361 32.985 32.600 0.040 0.000 1.524 444 M HN 0.124 nan 8.290 nan 0.000 0.482 445 G N 0.061 108.900 108.800 0.065 0.000 2.184 445 G HA2 -0.199 3.761 3.960 0.000 0.000 0.206 445 G HA3 -0.199 3.761 3.960 0.000 0.000 0.206 445 G C 0.236 175.151 174.900 0.026 0.000 0.995 445 G CA -0.004 45.105 45.100 0.016 0.000 0.651 445 G HN 0.487 nan 8.290 nan 0.000 0.511 446 C N 1.533 120.912 119.300 0.131 0.000 2.632 446 C HA 0.473 4.933 4.460 0.000 0.000 0.415 446 C C 1.859 176.891 174.990 0.070 0.000 1.332 446 C CA 0.369 59.470 59.018 0.138 0.000 1.874 446 C CB -0.159 27.689 27.740 0.179 0.000 2.596 446 C HN 0.493 nan 8.230 nan 0.000 0.590 447 D N 2.161 122.592 120.400 0.052 0.000 2.085 447 D HA -0.039 4.601 4.640 0.000 0.000 0.199 447 D C 0.477 176.817 176.300 0.066 0.000 0.981 447 D CA 1.559 55.588 54.000 0.048 0.000 0.834 447 D CB 0.073 40.895 40.800 0.037 0.000 0.992 447 D HN 0.455 nan 8.370 nan 0.000 0.457 448 V N 1.135 121.093 119.914 0.074 0.000 2.444 448 V HA 0.363 4.483 4.120 0.000 0.000 0.294 448 V C -1.616 174.514 176.094 0.060 0.000 1.022 448 V CA -0.671 61.677 62.300 0.081 0.000 0.850 448 V CB 1.461 33.350 31.823 0.112 0.000 0.992 448 V HN -0.068 nan 8.190 nan 0.000 0.426 449 N N 6.434 125.162 118.700 0.046 0.000 2.417 449 N HA 0.713 5.453 4.740 0.000 0.000 0.274 449 N C -1.051 174.445 175.510 -0.023 0.000 0.987 449 N CA -0.360 52.701 53.050 0.018 0.000 0.912 449 N CB 1.832 40.347 38.487 0.046 0.000 1.177 449 N HN 0.649 nan 8.380 nan 0.000 0.490 450 L N 1.052 122.234 121.223 -0.068 0.000 2.319 450 L HA 0.959 5.299 4.340 0.000 0.000 0.267 450 L C -0.294 176.522 176.870 -0.091 0.000 1.011 450 L CA -1.117 53.650 54.840 -0.122 0.000 0.818 450 L CB 1.766 43.716 42.059 -0.181 0.000 1.316 450 L HN 0.523 nan 8.230 nan 0.000 0.432 451 A N 0.452 123.239 122.820 -0.056 0.000 2.520 451 A HA 0.682 5.002 4.320 0.000 0.000 0.298 451 A C -1.955 175.704 177.584 0.125 0.000 1.051 451 A CA -0.505 51.511 52.037 -0.035 0.000 0.690 451 A CB 1.070 20.036 19.000 -0.058 0.000 1.281 451 A HN 0.514 nan 8.150 nan 0.000 0.402 452 W N 1.557 122.781 121.300 -0.128 0.000 2.359 452 W HA 0.489 5.149 4.660 0.000 0.000 0.344 452 W C -2.009 174.418 176.519 -0.152 0.000 1.170 452 W CA -1.962 55.306 57.345 -0.129 0.000 1.296 452 W CB 0.174 29.573 29.460 -0.102 0.000 1.197 452 W HN 0.500 nan 8.180 nan 0.000 0.618 453 P HA -0.177 nan 4.420 nan 0.000 0.218 453 P C 1.267 178.562 177.300 -0.008 0.000 1.146 453 P CA 2.553 65.629 63.100 -0.040 0.000 0.813 453 P CB 0.033 31.707 31.700 -0.044 0.000 0.778 454 T N -4.036 110.553 114.554 0.058 0.000 3.148 454 T HA 0.338 4.688 4.350 0.000 0.000 0.253 454 T C 0.881 175.602 174.700 0.036 0.000 1.134 454 T CA -0.139 61.992 62.100 0.052 0.000 1.051 454 T CB -0.643 68.267 68.868 0.071 0.000 0.959 454 T HN 0.038 nan 8.240 nan 0.000 0.525 455 A N 1.714 124.544 122.820 0.017 0.000 2.520 455 A HA 0.331 4.651 4.320 0.000 0.000 0.245 455 A C 0.271 177.837 177.584 -0.030 0.000 1.072 455 A CA -0.250 51.770 52.037 -0.028 0.000 0.761 455 A CB 0.053 19.021 19.000 -0.054 0.000 1.004 455 A HN 0.582 nan 8.150 nan 0.000 0.499 456 Q N 2.153 121.932 119.800 -0.035 0.000 2.674 456 Q HA 0.405 4.745 4.340 0.000 0.000 0.249 456 Q C -1.322 174.688 176.000 0.018 0.000 1.011 456 Q CA 0.079 55.898 55.803 0.027 0.000 0.734 456 Q CB 1.209 29.993 28.738 0.076 0.000 1.201 456 Q HN 0.738 nan 8.270 nan 0.000 0.498 457 I N 1.604 122.191 120.570 0.029 0.000 2.312 457 I HA 0.760 4.930 4.170 0.000 0.000 0.290 457 I C -0.093 176.054 176.117 0.049 0.000 1.008 457 I CA -0.518 60.780 61.300 -0.003 0.000 1.226 457 I CB 1.211 39.160 38.000 -0.085 0.000 1.371 457 I HN 0.470 nan 8.210 nan 0.000 0.468 458 A N 4.550 127.466 122.820 0.160 0.000 2.601 458 A HA 0.500 4.820 4.320 0.000 0.000 0.291 458 A C 0.426 178.070 177.584 0.100 0.000 1.075 458 A CA -0.558 51.544 52.037 0.109 0.000 0.671 458 A CB 0.883 19.960 19.000 0.128 0.000 1.277 458 A HN 0.332 nan 8.150 nan 0.000 0.417 459 V N 0.418 120.345 119.914 0.023 0.000 2.324 459 V HA -0.098 4.022 4.120 0.000 0.000 0.250 459 V C 1.015 177.080 176.094 -0.049 0.000 1.060 459 V CA 2.842 65.138 62.300 -0.005 0.000 1.042 459 V CB -1.185 30.619 31.823 -0.033 0.000 0.650 459 V HN 1.024 nan 8.190 nan 0.000 0.450 460 M N -2.719 116.773 119.600 -0.181 0.000 2.790 460 M HA 0.616 5.096 4.480 0.000 0.000 0.272 460 M C -0.194 175.668 176.300 -0.731 0.000 1.168 460 M CA -0.406 54.640 55.300 -0.425 0.000 0.829 460 M CB 1.394 33.821 32.600 -0.289 0.000 1.675 460 M HN 0.005 nan 8.290 nan 0.000 0.505 461 G N 0.621 108.829 108.800 -0.986 0.000 2.391 461 G HA2 0.382 4.342 3.960 0.000 0.000 0.234 461 G HA3 0.382 4.342 3.960 0.000 0.000 0.234 461 G C 0.879 175.604 174.900 -0.292 0.000 1.284 461 G CA 0.070 44.745 45.100 -0.708 0.000 0.873 461 G HN 1.131 nan 8.290 nan 0.000 0.549 462 A N 2.266 125.033 122.820 -0.088 0.000 1.997 462 A HA -0.151 4.169 4.320 0.000 0.000 0.221 462 A C 2.737 180.254 177.584 -0.112 0.000 1.172 462 A CA 2.507 54.536 52.037 -0.013 0.000 0.645 462 A CB -0.753 18.378 19.000 0.218 0.000 0.813 462 A HN 0.863 nan 8.150 nan 0.000 0.454 463 S N -0.780 114.883 115.700 -0.061 0.000 2.351 463 S HA -0.074 4.396 4.470 0.000 0.000 0.220 463 S C 1.906 176.480 174.600 -0.044 0.000 1.035 463 S CA 1.849 60.029 58.200 -0.033 0.000 1.031 463 S CB -0.639 62.555 63.200 -0.010 0.000 0.928 463 S HN 0.760 nan 8.310 nan 0.000 0.433 464 G N -0.545 108.214 108.800 -0.068 0.000 2.920 464 G HA2 0.382 4.342 3.960 0.000 0.000 0.208 464 G HA3 0.382 4.342 3.960 0.000 0.000 0.208 464 G C 1.205 176.077 174.900 -0.046 0.000 1.159 464 G CA 0.638 45.733 45.100 -0.009 0.000 0.784 464 G HN 0.629 nan 8.290 nan 0.000 0.535 465 A N 0.425 123.111 122.820 -0.224 0.000 1.984 465 A HA 0.229 4.549 4.320 0.000 0.000 0.214 465 A C 2.546 179.946 177.584 -0.307 0.000 1.173 465 A CA 1.359 53.155 52.037 -0.402 0.000 0.673 465 A CB -0.366 18.132 19.000 -0.837 0.000 0.830 465 A HN 0.639 nan 8.150 nan 0.000 0.453 466 V N -1.667 118.124 119.914 -0.204 0.000 2.358 466 V HA -0.039 4.081 4.120 0.000 0.000 0.246 466 V C 2.366 178.512 176.094 0.087 0.000 1.047 466 V CA 1.897 64.200 62.300 0.006 0.000 1.035 466 V CB -1.876 30.034 31.823 0.144 0.000 0.658 466 V HN 0.363 nan 8.190 nan 0.000 0.452 467 G N -0.540 108.317 108.800 0.095 0.000 2.485 467 G HA2 -0.209 3.751 3.960 0.000 0.000 0.221 467 G HA3 -0.209 3.751 3.960 0.000 0.000 0.221 467 G C 1.216 176.025 174.900 -0.152 0.000 1.115 467 G CA 1.497 46.587 45.100 -0.016 0.000 0.751 467 G HN 0.577 nan 8.290 nan 0.000 0.567 468 F N -0.520 119.361 119.950 -0.114 0.000 2.399 468 F HA 0.203 4.730 4.527 0.000 0.000 0.282 468 F C 2.593 178.296 175.800 -0.162 0.000 1.027 468 F CA -0.072 57.858 58.000 -0.117 0.000 1.333 468 F CB -0.698 38.229 39.000 -0.122 0.000 1.132 468 F HN -0.071 nan 8.300 nan 0.000 0.590 469 V N -0.970 118.899 119.914 -0.075 0.000 2.469 469 V HA -0.269 3.851 4.120 0.000 0.000 0.251 469 V C 0.372 176.186 176.094 -0.466 0.000 1.064 469 V CA 1.638 63.722 62.300 -0.359 0.000 1.066 469 V CB -0.858 30.574 31.823 -0.651 0.000 0.667 469 V HN 0.368 nan 8.190 nan 0.000 0.461 470 Y N -0.966 119.344 120.300 0.017 0.000 2.617 470 Y HA 0.427 4.977 4.550 0.000 0.000 0.328 470 Y C 1.419 177.306 175.900 -0.021 0.000 0.946 470 Y CA -0.958 57.144 58.100 0.004 0.000 1.241 470 Y CB -0.229 38.233 38.460 0.002 0.000 1.226 470 Y HN -0.001 nan 8.280 nan 0.000 0.582 471 R N 0.703 121.233 120.500 0.049 0.000 2.075 471 R HA -0.136 4.204 4.340 0.000 0.000 0.230 471 R C 1.769 178.075 176.300 0.011 0.000 1.140 471 R CA 1.874 57.966 56.100 -0.013 0.000 0.928 471 R CB -0.064 30.202 30.300 -0.058 0.000 0.834 471 R HN 0.204 nan 8.270 nan 0.000 0.429 472 Q N 0.198 120.013 119.800 0.024 0.000 2.508 472 Q HA -0.167 4.173 4.340 0.000 0.000 0.214 472 Q C 1.512 177.533 176.000 0.035 0.000 0.979 472 Q CA 1.187 57.004 55.803 0.023 0.000 0.911 472 Q CB 0.074 28.827 28.738 0.024 0.000 0.969 472 Q HN 0.592 nan 8.270 nan 0.000 0.504 473 Q N -0.493 119.344 119.800 0.063 0.000 2.391 473 Q HA 0.104 4.444 4.340 0.000 0.000 0.211 473 Q C 1.438 177.452 176.000 0.023 0.000 0.908 473 Q CA -0.004 55.828 55.803 0.050 0.000 0.920 473 Q CB 0.470 29.255 28.738 0.079 0.000 1.056 473 Q HN 0.301 nan 8.270 nan 0.000 0.523 474 L N 0.177 121.416 121.223 0.027 0.000 2.591 474 L HA 0.169 4.509 4.340 0.000 0.000 0.228 474 L C 1.928 178.793 176.870 -0.009 0.000 1.133 474 L CA 0.281 55.124 54.840 0.004 0.000 0.880 474 L CB -0.090 41.971 42.059 0.003 0.000 1.033 474 L HN 0.223 nan 8.230 nan 0.000 0.450 475 A N 0.537 123.353 122.820 -0.006 0.000 1.835 475 A HA -0.137 4.183 4.320 0.000 0.000 0.213 475 A C 2.060 179.638 177.584 -0.010 0.000 1.210 475 A CA 1.051 53.082 52.037 -0.011 0.000 0.605 475 A CB -0.258 18.737 19.000 -0.009 0.000 0.860 475 A HN 0.294 nan 8.150 nan 0.000 0.447 476 E N 0.410 120.607 120.200 -0.006 0.000 2.265 476 E HA 0.007 4.357 4.350 0.000 0.000 0.196 476 E C 1.777 178.371 176.600 -0.010 0.000 0.996 476 E CA 0.928 57.324 56.400 -0.007 0.000 0.832 476 E CB -0.359 29.339 29.700 -0.005 0.000 0.756 476 E HN 0.569 nan 8.360 nan 0.000 0.491 477 A N 0.153 122.966 122.820 -0.011 0.000 2.248 477 A HA 0.155 4.475 4.320 0.000 0.000 0.210 477 A C 1.929 179.504 177.584 -0.014 0.000 1.174 477 A CA 1.285 53.313 52.037 -0.014 0.000 0.750 477 A CB -0.257 18.733 19.000 -0.017 0.000 0.780 477 A HN 0.262 nan 8.150 nan 0.000 0.478 478 A N -1.980 120.832 122.820 -0.013 0.000 2.138 478 A HA 0.659 4.979 4.320 0.000 0.000 0.203 478 A C 1.919 179.496 177.584 -0.012 0.000 1.286 478 A CA 1.136 53.165 52.037 -0.014 0.000 0.929 478 A CB -0.226 18.764 19.000 -0.016 0.000 0.975 478 A HN 0.752 nan 8.150 nan 0.000 0.480 479 A N 0.261 123.075 122.820 -0.011 0.000 2.010 479 A HA 0.277 4.598 4.320 0.000 0.000 0.210 479 A C 1.463 179.042 177.584 -0.008 0.000 1.479 479 A CA 0.996 53.027 52.037 -0.009 0.000 0.748 479 A CB -0.547 18.448 19.000 -0.008 0.000 1.125 479 A HN 0.454 nan 8.150 nan 0.000 0.522 480 N N 0.172 118.868 118.700 -0.008 0.000 2.199 480 N HA 0.258 4.998 4.740 0.000 0.000 0.254 480 N C 0.888 176.393 175.510 -0.009 0.000 1.299 480 N CA 0.907 53.953 53.050 -0.008 0.000 0.940 480 N CB -0.425 38.058 38.487 -0.007 0.000 1.051 480 N HN 0.252 nan 8.380 nan 0.000 0.426 481 G N 0.225 109.019 108.800 -0.010 0.000 2.526 481 G HA2 0.086 4.046 3.960 0.000 0.000 0.293 481 G HA3 0.086 4.046 3.960 0.000 0.000 0.293 481 G C -0.691 174.201 174.900 -0.013 0.000 0.882 481 G CA 0.099 45.192 45.100 -0.011 0.000 1.656 481 G HN 0.620 nan 8.290 nan 0.000 0.474 482 E N 1.561 121.754 120.200 -0.012 0.000 2.175 482 E HA 0.510 4.860 4.350 0.000 0.000 0.278 482 E C -0.548 176.045 176.600 -0.013 0.000 0.969 482 E CA -0.936 55.456 56.400 -0.013 0.000 0.796 482 E CB 2.169 31.863 29.700 -0.011 0.000 1.104 482 E HN 0.193 nan 8.360 nan 0.000 0.395 483 D N 3.009 123.400 120.400 -0.014 0.000 2.148 483 D HA -0.014 4.626 4.640 0.000 0.000 0.577 483 D C 0.607 176.898 176.300 -0.014 0.000 0.879 483 D CA -0.056 53.936 54.000 -0.014 0.000 1.108 483 D CB 0.203 40.994 40.800 -0.015 0.000 1.442 483 D HN 0.707 nan 8.370 nan 0.000 0.437 484 I N 0.502 121.062 120.570 -0.017 0.000 3.312 484 I HA -0.251 3.919 4.170 0.000 0.000 0.347 484 I C 0.658 176.768 176.117 -0.013 0.000 1.059 484 I CA 1.181 62.471 61.300 -0.016 0.000 1.734 484 I CB 0.093 38.084 38.000 -0.016 0.000 1.147 484 I HN 0.156 nan 8.210 nan 0.000 0.451 485 D N 1.652 122.046 120.400 -0.011 0.000 2.504 485 D HA -0.202 4.438 4.640 0.000 0.000 0.238 485 D C 1.094 177.390 176.300 -0.008 0.000 1.018 485 D CA 1.775 55.771 54.000 -0.007 0.000 1.756 485 D CB -0.780 40.016 40.800 -0.007 0.000 1.359 485 D HN 0.837 nan 8.370 nan 0.000 0.651 486 K N 0.753 121.146 120.400 -0.011 0.000 2.444 486 K HA 0.117 4.437 4.320 0.000 0.000 0.193 486 K C 1.781 178.369 176.600 -0.020 0.000 1.024 486 K CA 0.204 56.484 56.287 -0.012 0.000 1.077 486 K CB 0.427 32.920 32.500 -0.012 0.000 0.833 486 K HN 0.127 nan 8.250 nan 0.000 0.517 487 L N -0.461 120.747 121.223 -0.025 0.000 2.515 487 L HA 0.217 4.557 4.340 0.000 0.000 0.202 487 L C 1.986 178.830 176.870 -0.042 0.000 1.056 487 L CA 0.759 55.574 54.840 -0.042 0.000 0.847 487 L CB -0.186 41.846 42.059 -0.045 0.000 1.131 487 L HN -0.084 nan 8.230 nan 0.000 0.484 488 R N -0.625 119.861 120.500 -0.023 0.000 2.152 488 R HA -0.097 4.243 4.340 0.000 0.000 0.232 488 R C 1.474 177.775 176.300 0.003 0.000 1.117 488 R CA 1.519 57.615 56.100 -0.007 0.000 0.981 488 R CB -0.079 30.221 30.300 0.001 0.000 0.870 488 R HN 0.322 nan 8.270 nan 0.000 0.451 489 L N 0.012 121.234 121.223 -0.001 0.000 2.592 489 L HA 0.129 4.469 4.340 0.000 0.000 0.227 489 L C 2.087 178.961 176.870 0.006 0.000 1.127 489 L CA 0.697 55.542 54.840 0.009 0.000 0.884 489 L CB 0.042 42.106 42.059 0.008 0.000 1.065 489 L HN 0.021 nan 8.230 nan 0.000 0.457 490 R N -0.763 119.730 120.500 -0.011 0.000 2.225 490 R HA 0.202 4.542 4.340 0.000 0.000 0.194 490 R C 1.879 178.160 176.300 -0.031 0.000 0.957 490 R CA 0.681 56.769 56.100 -0.019 0.000 1.042 490 R CB 0.128 30.408 30.300 -0.033 0.000 1.004 490 R HN 0.295 nan 8.270 nan 0.000 0.509 491 L N 0.570 121.759 121.223 -0.057 0.000 2.095 491 L HA -0.034 4.306 4.340 0.000 0.000 0.204 491 L C 2.729 179.643 176.870 0.074 0.000 1.080 491 L CA 1.159 55.937 54.840 -0.102 0.000 0.759 491 L CB -0.466 41.444 42.059 -0.249 0.000 0.914 491 L HN 0.210 nan 8.230 nan 0.000 0.439 492 Q N 0.050 119.902 119.800 0.086 0.000 2.096 492 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 492 Q C 2.272 178.359 176.000 0.147 0.000 0.982 492 Q CA 1.689 57.567 55.803 0.126 0.000 0.850 492 Q CB -0.114 28.666 28.738 0.070 0.000 0.901 492 Q HN 0.402 nan 8.270 nan 0.000 0.422 493 Q N 0.393 120.249 119.800 0.092 0.000 2.224 493 Q HA -0.217 4.123 4.340 0.000 0.000 0.203 493 Q C 1.668 177.724 176.000 0.093 0.000 0.970 493 Q CA 1.711 57.563 55.803 0.081 0.000 0.865 493 Q CB 0.059 28.826 28.738 0.047 0.000 0.922 493 Q HN 0.589 nan 8.270 nan 0.000 0.445 494 E N -0.989 119.273 120.200 0.102 0.000 2.076 494 E HA -0.175 4.175 4.350 0.000 0.000 0.190 494 E C 1.812 178.511 176.600 0.164 0.000 0.979 494 E CA 0.520 56.981 56.400 0.102 0.000 0.807 494 E CB -0.256 29.484 29.700 0.067 0.000 0.761 494 E HN 0.387 nan 8.360 nan 0.000 0.454 495 Y N 1.577 121.948 120.300 0.118 0.000 2.181 495 Y HA -0.204 4.346 4.550 0.000 0.000 0.288 495 Y C 2.164 178.108 175.900 0.074 0.000 1.146 495 Y CA 2.142 60.318 58.100 0.127 0.000 1.164 495 Y CB -0.069 38.491 38.460 0.167 0.000 0.982 495 Y HN 0.127 nan 8.280 nan 0.000 0.515 496 E N 0.497 120.842 120.200 0.241 0.000 2.072 496 E HA -0.194 4.156 4.350 0.000 0.000 0.191 496 E C 1.332 177.966 176.600 0.058 0.000 0.985 496 E CA 2.049 58.537 56.400 0.146 0.000 0.801 496 E CB -0.460 29.334 29.700 0.157 0.000 0.750 496 E HN 0.498 nan 8.360 nan 0.000 0.452 497 D N -1.347 119.086 120.400 0.055 0.000 2.363 497 D HA -0.010 4.630 4.640 0.000 0.000 0.220 497 D C 0.938 177.244 176.300 0.010 0.000 0.994 497 D CA 1.511 55.533 54.000 0.036 0.000 0.890 497 D CB 0.304 41.127 40.800 0.038 0.000 0.906 497 D HN 0.438 nan 8.370 nan 0.000 0.530 498 T N -4.048 110.488 114.554 -0.030 0.000 3.009 498 T HA 0.170 4.520 4.350 0.000 0.000 0.267 498 T C 1.198 175.828 174.700 -0.115 0.000 0.942 498 T CA -0.280 61.788 62.100 -0.054 0.000 0.883 498 T CB 0.314 69.156 68.868 -0.043 0.000 1.192 498 T HN -0.058 nan 8.240 nan 0.000 0.524 499 L N 0.813 121.901 121.223 -0.224 0.000 2.663 499 L HA 0.470 4.810 4.340 0.000 0.000 0.218 499 L C 0.764 177.526 176.870 -0.179 0.000 1.043 499 L CA 0.541 55.191 54.840 -0.316 0.000 0.876 499 L CB 0.176 41.759 42.059 -0.794 0.000 1.263 499 L HN 0.124 nan 8.230 nan 0.000 0.486 500 V N 3.878 123.721 119.914 -0.119 0.000 2.180 500 V HA 0.083 4.203 4.120 0.000 0.000 0.238 500 V C -0.221 175.904 176.094 0.051 0.000 1.337 500 V CA 0.026 62.345 62.300 0.032 0.000 1.338 500 V CB -1.676 30.214 31.823 0.112 0.000 1.431 500 V HN 0.646 nan 8.190 nan 0.000 0.498 501 N N 2.846 121.565 118.700 0.030 0.000 2.927 501 N HA 0.498 5.238 4.740 0.000 0.000 0.248 501 N C -2.659 172.826 175.510 -0.041 0.000 1.443 501 N CA -1.537 51.524 53.050 0.019 0.000 0.870 501 N CB 1.441 39.997 38.487 0.116 0.000 1.444 501 N HN -0.124 nan 8.380 nan 0.000 0.519 502 P HA -0.031 nan 4.420 nan 0.000 0.215 502 P C 0.799 178.004 177.300 -0.159 0.000 1.157 502 P CA 1.364 64.335 63.100 -0.216 0.000 0.859 502 P CB -0.113 31.376 31.700 -0.352 0.000 0.786 503 Y N 0.043 120.335 120.300 -0.013 0.000 2.069 503 Y HA -0.237 4.313 4.550 0.000 0.000 0.278 503 Y C 2.481 178.354 175.900 -0.045 0.000 1.175 503 Y CA 0.829 58.913 58.100 -0.026 0.000 1.134 503 Y CB -1.857 36.587 38.460 -0.027 0.000 0.965 503 Y HN -0.268 nan 8.280 nan 0.000 0.498 504 V N -0.035 119.944 119.914 0.109 0.000 2.370 504 V HA -0.398 3.722 4.120 0.000 0.000 0.252 504 V C 2.373 178.441 176.094 -0.042 0.000 1.068 504 V CA 1.939 64.246 62.300 0.013 0.000 1.061 504 V CB -1.269 30.544 31.823 -0.017 0.000 0.656 504 V HN 0.552 nan 8.190 nan 0.000 0.455 505 A N -0.739 122.063 122.820 -0.029 0.000 2.021 505 A HA 0.265 4.585 4.320 0.000 0.000 0.216 505 A C 2.308 179.863 177.584 -0.049 0.000 1.163 505 A CA 1.232 53.246 52.037 -0.038 0.000 0.676 505 A CB -0.406 18.624 19.000 0.050 0.000 0.818 505 A HN 0.536 nan 8.150 nan 0.000 0.453 506 A N -0.099 122.714 122.820 -0.012 0.000 2.014 506 A HA -0.065 4.255 4.320 0.000 0.000 0.218 506 A C 1.812 179.389 177.584 -0.011 0.000 1.163 506 A CA 1.474 53.515 52.037 0.007 0.000 0.652 506 A CB -0.309 18.709 19.000 0.031 0.000 0.808 506 A HN 0.574 nan 8.150 nan 0.000 0.449 507 E N -0.854 119.328 120.200 -0.029 0.000 2.216 507 E HA -0.020 4.330 4.350 0.000 0.000 0.192 507 E C 1.754 178.279 176.600 -0.125 0.000 0.988 507 E CA 0.193 56.564 56.400 -0.048 0.000 0.834 507 E CB 0.071 29.752 29.700 -0.032 0.000 0.772 507 E HN 0.226 nan 8.360 nan 0.000 0.479 508 R N -0.571 119.780 120.500 -0.249 0.000 2.310 508 R HA 0.053 4.393 4.340 0.000 0.000 0.202 508 R C 1.124 177.175 176.300 -0.414 0.000 0.933 508 R CA 0.778 56.601 56.100 -0.462 0.000 1.054 508 R CB 0.530 30.256 30.300 -0.957 0.000 0.985 508 R HN 0.337 nan 8.270 nan 0.000 0.489 509 G N 0.261 108.951 108.800 -0.184 0.000 2.234 509 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 509 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 509 G C 0.651 175.622 174.900 0.118 0.000 0.987 509 G CA 0.402 45.489 45.100 -0.023 0.000 0.625 509 G HN 0.298 nan 8.290 nan 0.000 0.532 510 Y N 0.140 120.473 120.300 0.055 0.000 2.315 510 Y HA 0.212 4.762 4.550 0.000 0.000 0.288 510 Y C 1.824 177.770 175.900 0.078 0.000 1.154 510 Y CA 0.612 58.764 58.100 0.086 0.000 1.229 510 Y CB -0.366 38.160 38.460 0.111 0.000 0.980 510 Y HN 0.215 nan 8.280 nan 0.000 0.540 511 V N 1.346 121.371 119.914 0.185 0.000 2.409 511 V HA 0.136 4.256 4.120 0.000 0.000 0.291 511 V C 0.524 176.657 176.094 0.065 0.000 1.020 511 V CA -0.999 61.362 62.300 0.102 0.000 0.848 511 V CB 1.770 33.626 31.823 0.054 0.000 0.990 511 V HN 0.087 nan 8.190 nan 0.000 0.430 512 D N 3.480 123.914 120.400 0.056 0.000 2.219 512 D HA 0.101 4.741 4.640 0.000 0.000 0.205 512 D C 0.659 176.985 176.300 0.042 0.000 0.970 512 D CA 1.508 55.543 54.000 0.058 0.000 0.851 512 D CB 0.603 41.444 40.800 0.068 0.000 0.943 512 D HN 0.723 nan 8.370 nan 0.000 0.488 513 A N -0.467 122.351 122.820 -0.003 0.000 2.580 513 A HA 0.381 4.701 4.320 0.000 0.000 0.301 513 A C -1.323 176.221 177.584 -0.066 0.000 1.054 513 A CA -0.691 51.339 52.037 -0.012 0.000 0.751 513 A CB 0.959 19.968 19.000 0.015 0.000 1.275 513 A HN -0.131 nan 8.150 nan 0.000 0.403 514 V N 2.953 122.843 119.914 -0.040 0.000 2.350 514 V HA 0.610 4.730 4.120 0.000 0.000 0.276 514 V C -0.200 175.861 176.094 -0.056 0.000 1.028 514 V CA -0.088 62.169 62.300 -0.073 0.000 0.860 514 V CB 0.225 31.961 31.823 -0.145 0.000 0.990 514 V HN 0.886 nan 8.190 nan 0.000 0.453 515 I N 3.662 124.192 120.570 -0.068 0.000 3.042 515 I HA 0.770 4.940 4.170 0.000 0.000 0.310 515 I C -2.792 173.214 176.117 -0.186 0.000 1.117 515 I CA -2.968 58.263 61.300 -0.115 0.000 1.003 515 I CB 1.616 39.565 38.000 -0.085 0.000 1.228 515 I HN 0.281 nan 8.210 nan 0.000 0.443 516 P HA 0.218 nan 4.420 nan 0.000 0.271 516 P C -2.340 174.681 177.300 -0.465 0.000 1.216 516 P CA -1.203 61.651 63.100 -0.411 0.000 0.771 516 P CB 0.244 31.685 31.700 -0.430 0.000 0.864 517 P HA -0.277 nan 4.420 nan 0.000 0.217 517 P C 1.773 178.853 177.300 -0.367 0.000 1.158 517 P CA 2.429 64.776 63.100 -1.254 0.000 0.887 517 P CB -0.444 30.167 31.700 -1.815 0.000 0.792 518 S N -2.139 113.434 115.700 -0.212 0.000 2.441 518 S HA -0.259 4.211 4.470 0.000 0.000 0.242 518 S C 1.630 176.349 174.600 0.197 0.000 1.018 518 S CA 1.573 59.785 58.200 0.020 0.000 0.988 518 S CB -1.538 61.693 63.200 0.051 0.000 0.778 518 S HN 0.261 nan 8.310 nan 0.000 0.498 519 H N 1.396 120.472 119.070 0.011 0.000 2.535 519 H HA 0.214 4.770 4.556 0.000 0.000 0.273 519 H C 2.223 177.679 175.328 0.214 0.000 0.983 519 H CA 0.915 57.037 56.048 0.124 0.000 1.238 519 H CB -0.987 28.886 29.762 0.185 0.000 1.412 519 H HN 0.409 nan 8.280 nan 0.000 0.562 520 T N 0.423 115.176 114.554 0.332 0.000 2.592 520 T HA -0.307 4.043 4.350 0.000 0.000 0.267 520 T C 2.097 176.958 174.700 0.269 0.000 1.060 520 T CA 1.976 64.279 62.100 0.339 0.000 1.167 520 T CB -0.086 69.035 68.868 0.423 0.000 0.863 520 T HN 0.369 nan 8.240 nan 0.000 0.431 521 R N 0.458 121.077 120.500 0.198 0.000 2.083 521 R HA -0.111 4.229 4.340 0.000 0.000 0.237 521 R C 2.769 179.144 176.300 0.125 0.000 1.137 521 R CA 1.763 57.948 56.100 0.142 0.000 0.951 521 R CB -0.792 29.568 30.300 0.101 0.000 0.851 521 R HN 0.490 nan 8.270 nan 0.000 0.434 522 G N -0.626 108.238 108.800 0.106 0.000 2.418 522 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 522 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 522 G C 1.131 176.063 174.900 0.053 0.000 1.158 522 G CA 0.689 45.814 45.100 0.042 0.000 0.771 522 G HN 0.336 nan 8.290 nan 0.000 0.545 523 Y N 0.988 121.330 120.300 0.070 0.000 2.049 523 Y HA -0.124 4.426 4.550 0.000 0.000 0.277 523 Y C 2.865 178.808 175.900 0.071 0.000 1.143 523 Y CA 1.599 59.748 58.100 0.082 0.000 1.115 523 Y CB -0.330 38.201 38.460 0.118 0.000 0.975 523 Y HN 0.121 nan 8.280 nan 0.000 0.487 524 I N -0.673 120.062 120.570 0.275 0.000 2.185 524 I HA -0.385 3.785 4.170 0.000 0.000 0.246 524 I C 2.607 178.795 176.117 0.119 0.000 1.088 524 I CA 1.575 62.981 61.300 0.178 0.000 1.347 524 I CB -1.099 36.986 38.000 0.141 0.000 1.041 524 I HN 0.359 nan 8.210 nan 0.000 0.415 525 G N 0.219 109.075 108.800 0.094 0.000 2.459 525 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 525 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 525 G C 1.642 176.565 174.900 0.039 0.000 1.183 525 G CA 1.506 46.641 45.100 0.060 0.000 0.776 525 G HN 0.316 nan 8.290 nan 0.000 0.552 526 T N 1.586 116.146 114.554 0.011 0.000 2.788 526 T HA 0.048 4.398 4.350 0.000 0.000 0.268 526 T C 2.789 177.499 174.700 0.016 0.000 1.044 526 T CA 1.475 63.563 62.100 -0.019 0.000 1.139 526 T CB -0.326 68.479 68.868 -0.105 0.000 0.867 526 T HN 0.384 nan 8.240 nan 0.000 0.454 527 A N 1.330 124.186 122.820 0.060 0.000 1.873 527 A HA 0.041 4.361 4.320 0.000 0.000 0.215 527 A C 2.294 179.920 177.584 0.069 0.000 1.186 527 A CA 1.109 53.199 52.037 0.088 0.000 0.616 527 A CB -0.842 18.246 19.000 0.146 0.000 0.823 527 A HN 0.466 nan 8.150 nan 0.000 0.442 528 L N -1.056 120.208 121.223 0.069 0.000 2.079 528 L HA -0.197 4.143 4.340 0.000 0.000 0.210 528 L C 2.803 179.700 176.870 0.046 0.000 1.081 528 L CA 1.804 56.680 54.840 0.060 0.000 0.752 528 L CB -0.473 41.625 42.059 0.065 0.000 0.896 528 L HN 0.460 nan 8.230 nan 0.000 0.433 529 R N 0.309 120.832 120.500 0.038 0.000 2.081 529 R HA -0.199 4.141 4.340 0.000 0.000 0.235 529 R C 2.336 178.652 176.300 0.026 0.000 1.131 529 R CA 1.432 57.549 56.100 0.028 0.000 0.960 529 R CB -0.216 30.095 30.300 0.020 0.000 0.856 529 R HN 0.208 nan 8.270 nan 0.000 0.436 530 L N 0.553 121.792 121.223 0.027 0.000 2.093 530 L HA -0.071 4.269 4.340 0.000 0.000 0.208 530 L C 1.264 178.151 176.870 0.029 0.000 1.085 530 L CA 1.553 56.409 54.840 0.026 0.000 0.755 530 L CB -0.097 41.980 42.059 0.031 0.000 0.904 530 L HN 0.170 nan 8.230 nan 0.000 0.435 531 L N -0.467 120.776 121.223 0.034 0.000 2.629 531 L HA 0.120 4.460 4.340 0.000 0.000 0.230 531 L C 1.969 178.854 176.870 0.026 0.000 1.151 531 L CA 0.570 55.428 54.840 0.030 0.000 0.924 531 L CB -0.915 41.164 42.059 0.035 0.000 1.137 531 L HN 0.347 nan 8.230 nan 0.000 0.457 532 E N 1.241 121.457 120.200 0.026 0.000 2.045 532 E HA -0.223 4.127 4.350 0.000 0.000 0.212 532 E C 1.061 177.673 176.600 0.020 0.000 1.039 532 E CA 1.501 57.916 56.400 0.025 0.000 0.860 532 E CB 0.124 29.838 29.700 0.024 0.000 0.776 532 E HN 0.318 nan 8.360 nan 0.000 0.467 533 R N 1.597 122.108 120.500 0.017 0.000 4.141 533 R HA 0.152 4.492 4.340 0.000 0.000 0.281 533 R C -0.599 175.707 176.300 0.009 0.000 1.608 533 R CA -0.122 55.986 56.100 0.013 0.000 1.426 533 R CB -0.461 29.846 30.300 0.012 0.000 1.432 533 R HN -0.026 nan 8.270 nan 0.000 0.708 534 K N 2.164 122.569 120.400 0.009 0.000 2.402 534 K HA 0.005 4.325 4.320 0.000 0.000 0.279 534 K C -0.306 176.293 176.600 -0.002 0.000 1.082 534 K CA -0.121 56.169 56.287 0.004 0.000 1.080 534 K CB 0.398 32.898 32.500 0.000 0.000 0.899 534 K HN 0.264 nan 8.250 nan 0.000 0.469 535 I N 3.930 124.500 120.570 -0.001 0.000 2.396 535 I HA 0.256 4.426 4.170 0.000 0.000 0.289 535 I C 0.408 176.519 176.117 -0.009 0.000 1.056 535 I CA 0.263 61.561 61.300 -0.003 0.000 1.365 535 I CB 0.060 38.059 38.000 -0.000 0.000 1.407 535 I HN 0.799 nan 8.210 nan 0.000 0.509 536 A N 6.888 129.700 122.820 -0.014 0.000 2.549 536 A HA 0.685 5.005 4.320 0.000 0.000 0.291 536 A C -1.113 176.456 177.584 -0.025 0.000 1.034 536 A CA -0.675 51.349 52.037 -0.021 0.000 0.655 536 A CB 1.843 20.826 19.000 -0.029 0.000 1.299 536 A HN 0.711 nan 8.150 nan 0.000 0.427 537 Q N -0.195 119.587 119.800 -0.029 0.000 2.630 537 Q HA 0.793 5.133 4.340 0.000 0.000 0.295 537 Q C -1.975 174.002 176.000 -0.037 0.000 0.944 537 Q CA -0.874 54.911 55.803 -0.031 0.000 0.766 537 Q CB 1.389 30.114 28.738 -0.022 0.000 1.471 537 Q HN 1.114 nan 8.270 nan 0.000 0.416 538 L N 1.545 122.746 121.223 -0.037 0.000 2.322 538 L HA 0.639 4.979 4.340 0.000 0.000 0.279 538 L C -2.374 174.479 176.870 -0.028 0.000 1.036 538 L CA -1.673 53.142 54.840 -0.040 0.000 0.807 538 L CB 0.986 43.019 42.059 -0.044 0.000 1.226 538 L HN 0.632 nan 8.230 nan 0.000 0.433 539 P HA 0.045 nan 4.420 nan 0.000 0.264 539 P C -2.527 174.764 177.300 -0.016 0.000 1.179 539 P CA -0.446 62.642 63.100 -0.019 0.000 0.763 539 P CB -0.385 31.304 31.700 -0.019 0.000 0.806 540 P HA 0.095 nan 4.420 nan 0.000 0.270 540 P C -0.696 176.592 177.300 -0.021 0.000 1.242 540 P CA 0.318 63.409 63.100 -0.015 0.000 0.768 540 P CB 0.364 32.056 31.700 -0.013 0.000 0.820 541 K N 1.305 121.690 120.400 -0.025 0.000 2.639 541 K HA 0.249 4.569 4.320 0.000 0.000 0.279 541 K C 0.198 176.763 176.600 -0.059 0.000 0.976 541 K CA -1.059 55.198 56.287 -0.050 0.000 0.861 541 K CB 0.873 33.343 32.500 -0.051 0.000 1.436 541 K HN -0.112 nan 8.250 nan 0.000 0.400 542 K N 0.133 120.459 120.400 -0.123 0.000 2.113 542 K HA -0.172 4.148 4.320 0.000 0.000 0.208 542 K C -0.003 176.577 176.600 -0.033 0.000 1.047 542 K CA 2.352 58.569 56.287 -0.116 0.000 0.928 542 K CB -0.434 31.939 32.500 -0.212 0.000 0.716 542 K HN 0.848 nan 8.250 nan 0.000 0.446 543 H N -5.113 113.969 119.070 0.020 0.000 2.883 543 H HA 0.342 4.898 4.556 0.000 0.000 0.266 543 H C -0.231 175.129 175.328 0.053 0.000 1.446 543 H CA -0.603 55.464 56.048 0.031 0.000 1.179 543 H CB 0.130 29.903 29.762 0.019 0.000 1.806 543 H HN 0.010 nan 8.280 nan 0.000 0.467 544 G N -0.924 108.059 108.800 0.305 0.000 2.543 544 G HA2 0.334 4.294 3.960 0.000 0.000 0.267 544 G HA3 0.334 4.294 3.960 0.000 0.000 0.267 544 G C -0.409 174.631 174.900 0.234 0.000 1.406 544 G CA -0.321 44.947 45.100 0.279 0.000 1.048 544 G HN 0.783 nan 8.290 nan 0.000 0.548 545 N N -1.136 117.625 118.700 0.101 0.000 2.588 545 N HA 0.098 4.838 4.740 0.000 0.000 0.298 545 N C -0.278 175.107 175.510 -0.209 0.000 1.718 545 N CA -0.465 52.580 53.050 -0.008 0.000 0.888 545 N CB 0.665 39.178 38.487 0.043 0.000 1.389 545 N HN 0.324 nan 8.380 nan 0.000 0.491 546 V N 1.825 121.378 119.914 -0.601 0.000 2.752 546 V HA 0.123 4.243 4.120 0.000 0.000 0.306 546 V C -1.955 173.924 176.094 -0.357 0.000 1.099 546 V CA -0.733 61.032 62.300 -0.892 0.000 1.240 546 V CB 0.279 31.392 31.823 -1.182 0.000 0.887 546 V HN 0.327 nan 8.190 nan 0.000 0.499 547 P HA 0.126 nan 4.420 nan 0.000 0.261 547 P C -0.576 176.667 177.300 -0.095 0.000 1.203 547 P CA -0.068 62.968 63.100 -0.108 0.000 0.767 547 P CB 0.227 31.893 31.700 -0.057 0.000 0.785 548 L N 0.000 121.178 121.223 -0.075 0.000 2.949 548 L HA 0.000 4.340 4.340 0.000 0.000 0.249 548 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 548 L CB 0.000 42.025 42.059 -0.056 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502