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 2o1x_1_A DATA FIRST_RESID 5 DATA SEQUENCE PGTSDTPLLD QIHGPKDLKR LSREQLPALT EELRGEIVRV CSRGGLHLAS DATA SEQUENCE SLGAVDIITA LHYVLDSPRD RILFDVGHQA YAHKILTGRR DQMADIKKEG DATA SEQUENCE GISGFTKVSE SEHDAITVGH ASTSLTNALG MALARDAQGK DFHVAAVIGD DATA SEQUENCE GSLTGGMALA ALNTIGDMGR KMLIVLNDNE MSISENVGAM NKFMXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS VNPFAAMGVR DATA SEQUENCE YVGPVDGHNV QELVWLLERL VDLDGPTILH IVTTKGKGLS YAEADPIYWH DATA SEQUENCE GPAKFDPATG EYVPSSAYSW SAAFGEAVTE WAKTDPRTFV VTPAMREGSG DATA SEQUENCE LVEFSRVHPH RYLDVGIAEE VAVTTAAGMA LQGMRPVVAI YSTFLQRAYD DATA SEQUENCE QVLHDVAIEH LNVTFCIDRA GIVGADGATH NGVFDLSFLR SIPGVRIGLP DATA SEQUENCE KDAAELRGML KYAQTHDGPF AIRYPRGNTA QVPAGTWPDL KWGEWERLKG DATA SEQUENCE GDDVVILAGG KALDYALKAA EDLPGVGVVN ARFVKPLDEE MLREVGGRAR DATA SEQUENCE ALITVEDNTV VGGFGGAVLE ALNSMNLHPT VRVLGIPDEF QEHATAESVH DATA SEQUENCE ARAGIDAPAI RTVLAELGVD VPI 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.302 177.300 0.003 0.000 1.155 5 P CA 0.000 63.102 63.100 0.003 0.000 0.800 5 P CB 0.000 31.701 31.700 0.002 0.000 0.726 6 G N -0.183 108.619 108.800 0.003 0.000 4.477 6 G HA2 0.449 4.416 3.960 0.011 0.000 0.319 6 G HA3 0.449 4.416 3.960 0.011 0.000 0.319 6 G C 0.407 175.307 174.900 -0.000 0.000 1.391 6 G CA 0.188 45.289 45.100 0.002 0.000 1.261 6 G HN 0.715 nan 8.290 nan 0.000 0.556 7 T N -2.019 112.534 114.554 -0.002 0.000 3.188 7 T HA 0.238 4.595 4.350 0.011 0.000 0.250 7 T C 1.440 176.138 174.700 -0.005 0.000 1.077 7 T CA 0.138 62.237 62.100 -0.003 0.000 0.967 7 T CB 0.089 68.955 68.868 -0.003 0.000 1.006 7 T HN 0.447 nan 8.240 nan 0.000 0.552 8 S N 0.469 116.166 115.700 -0.006 0.000 2.614 8 S HA 0.196 4.673 4.470 0.011 0.000 0.265 8 S C 0.346 174.941 174.600 -0.008 0.000 1.303 8 S CA -0.564 57.631 58.200 -0.009 0.000 1.000 8 S CB 0.755 63.947 63.200 -0.013 0.000 0.935 8 S HN 0.187 nan 8.310 nan 0.000 0.551 9 D N 0.481 120.875 120.400 -0.009 0.000 2.342 9 D HA 0.133 4.779 4.640 0.011 0.000 0.221 9 D C 0.193 176.487 176.300 -0.011 0.000 1.101 9 D CA 0.412 54.407 54.000 -0.008 0.000 0.837 9 D CB 0.218 41.014 40.800 -0.007 0.000 0.938 9 D HN 0.752 nan 8.370 nan 0.000 0.508 10 T N -1.618 112.928 114.554 -0.014 0.000 3.427 10 T HA 0.247 4.604 4.350 0.011 0.000 0.306 10 T C -1.883 172.807 174.700 -0.017 0.000 1.733 10 T CA -1.517 60.573 62.100 -0.017 0.000 1.599 10 T CB 1.656 70.510 68.868 -0.025 0.000 0.964 10 T HN -0.186 nan 8.240 nan 0.000 0.701 11 P HA -0.068 nan 4.420 nan 0.000 0.218 11 P C 1.431 178.728 177.300 -0.005 0.000 1.148 11 P CA 0.687 63.784 63.100 -0.005 0.000 0.822 11 P CB 0.265 31.965 31.700 -0.001 0.000 0.784 12 L N -1.348 119.871 121.223 -0.007 0.000 2.102 12 L HA -0.024 4.323 4.340 0.011 0.000 0.202 12 L C 2.857 179.716 176.870 -0.019 0.000 1.076 12 L CA 0.829 55.668 54.840 -0.003 0.000 0.761 12 L CB -1.010 41.051 42.059 0.003 0.000 0.921 12 L HN -0.143 nan 8.230 nan 0.000 0.444 13 L N -0.009 121.194 121.223 -0.034 0.000 2.079 13 L HA -0.249 4.097 4.340 0.011 0.000 0.210 13 L C 2.009 178.818 176.870 -0.102 0.000 1.081 13 L CA 1.101 55.901 54.840 -0.067 0.000 0.752 13 L CB -0.533 41.487 42.059 -0.065 0.000 0.896 13 L HN 0.303 nan 8.230 nan 0.000 0.433 14 D N -0.554 119.804 120.400 -0.070 0.000 2.265 14 D HA -0.172 4.475 4.640 0.011 0.000 0.208 14 D C 1.842 178.106 176.300 -0.061 0.000 0.977 14 D CA 0.934 54.893 54.000 -0.069 0.000 0.871 14 D CB 0.063 40.847 40.800 -0.027 0.000 0.925 14 D HN 0.276 nan 8.370 nan 0.000 0.485 15 Q N -0.581 119.198 119.800 -0.034 0.000 2.194 15 Q HA 0.282 4.629 4.340 0.011 0.000 0.214 15 Q C 0.015 176.047 176.000 0.053 0.000 0.838 15 Q CA -0.103 55.725 55.803 0.042 0.000 0.972 15 Q CB 1.317 30.084 28.738 0.050 0.000 1.131 15 Q HN 0.312 nan 8.270 nan 0.000 0.498 16 I N 1.385 121.906 120.570 -0.082 0.000 2.359 16 I HA 0.184 4.361 4.170 0.011 0.000 0.284 16 I C 0.739 176.733 176.117 -0.204 0.000 1.018 16 I CA -0.296 60.965 61.300 -0.065 0.000 1.173 16 I CB 0.841 38.804 38.000 -0.060 0.000 1.326 16 I HN 0.077 nan 8.210 nan 0.000 0.462 17 H N 4.822 123.864 119.070 -0.046 0.000 2.594 17 H HA 0.430 4.992 4.556 0.011 0.000 0.279 17 H C 0.709 175.989 175.328 -0.080 0.000 1.042 17 H CA 0.011 56.026 56.048 -0.054 0.000 1.177 17 H CB 1.268 31.011 29.762 -0.031 0.000 1.524 17 H HN 0.788 nan 8.280 nan 0.000 0.537 18 G N 0.510 109.300 108.800 -0.017 0.000 2.320 18 G HA2 -0.008 3.958 3.960 0.011 0.000 0.297 18 G HA3 -0.008 3.958 3.960 0.011 0.000 0.297 18 G C -2.407 172.440 174.900 -0.088 0.000 1.344 18 G CA -0.910 44.124 45.100 -0.110 0.000 0.851 18 G HN -0.292 nan 8.290 nan 0.000 0.567 19 P HA -0.008 nan 4.420 nan 0.000 0.221 19 P C 1.594 178.906 177.300 0.020 0.000 1.145 19 P CA 1.102 64.189 63.100 -0.021 0.000 0.795 19 P CB 0.245 31.997 31.700 0.087 0.000 0.775 20 K N -0.508 119.909 120.400 0.029 0.000 2.103 20 K HA -0.112 4.215 4.320 0.011 0.000 0.204 20 K C 1.406 178.016 176.600 0.017 0.000 1.052 20 K CA 1.238 57.539 56.287 0.023 0.000 0.945 20 K CB -0.223 32.297 32.500 0.034 0.000 0.722 20 K HN 0.022 nan 8.250 nan 0.000 0.443 21 D N 0.640 121.058 120.400 0.031 0.000 2.183 21 D HA -0.144 4.502 4.640 0.011 0.000 0.203 21 D C 1.725 178.051 176.300 0.044 0.000 0.969 21 D CA 0.610 54.637 54.000 0.044 0.000 0.842 21 D CB -0.065 40.779 40.800 0.073 0.000 0.957 21 D HN 0.116 nan 8.370 nan 0.000 0.484 22 L N 1.228 122.476 121.223 0.041 0.000 2.093 22 L HA -0.088 4.258 4.340 0.011 0.000 0.208 22 L C 1.500 178.441 176.870 0.118 0.000 1.085 22 L CA 1.668 56.560 54.840 0.088 0.000 0.755 22 L CB -0.274 41.844 42.059 0.098 0.000 0.904 22 L HN -0.176 nan 8.230 nan 0.000 0.435 23 K N -0.494 119.897 120.400 -0.015 0.000 2.555 23 K HA -0.054 4.272 4.320 0.011 0.000 0.193 23 K C 1.937 178.519 176.600 -0.030 0.000 1.032 23 K CA 0.357 56.538 56.287 -0.177 0.000 1.004 23 K CB -0.061 32.279 32.500 -0.266 0.000 0.804 23 K HN 0.400 nan 8.250 nan 0.000 0.496 24 R N 0.672 121.195 120.500 0.039 0.000 2.119 24 R HA 0.092 4.438 4.340 0.011 0.000 0.222 24 R C 0.711 177.070 176.300 0.098 0.000 1.088 24 R CA 0.268 56.401 56.100 0.054 0.000 0.984 24 R CB -0.014 30.313 30.300 0.046 0.000 0.884 24 R HN 0.090 nan 8.270 nan 0.000 0.447 25 L N 2.062 123.374 121.223 0.148 0.000 2.456 25 L HA 0.014 4.360 4.340 0.011 0.000 0.272 25 L C 0.866 177.870 176.870 0.223 0.000 1.189 25 L CA -0.233 54.704 54.840 0.163 0.000 0.846 25 L CB 0.804 42.958 42.059 0.158 0.000 1.111 25 L HN 0.215 nan 8.230 nan 0.000 0.475 26 S N 3.442 119.222 115.700 0.133 0.000 2.589 26 S HA 0.117 4.593 4.470 0.011 0.000 0.265 26 S C 1.222 175.853 174.600 0.051 0.000 1.342 26 S CA -0.680 57.593 58.200 0.120 0.000 1.005 26 S CB 0.895 64.135 63.200 0.067 0.000 0.909 26 S HN 0.726 nan 8.310 nan 0.000 0.555 27 R N 1.264 121.767 120.500 0.005 0.000 2.189 27 R HA -0.052 4.295 4.340 0.011 0.000 0.223 27 R C 1.175 177.410 176.300 -0.110 0.000 1.092 27 R CA 1.073 57.067 56.100 -0.178 0.000 0.989 27 R CB -0.760 29.466 30.300 -0.124 0.000 0.876 27 R HN 0.821 nan 8.270 nan 0.000 0.457 28 E N 1.684 121.861 120.200 -0.039 0.000 2.347 28 E HA -0.152 4.204 4.350 0.011 0.000 0.196 28 E C 1.414 177.997 176.600 -0.028 0.000 1.008 28 E CA 0.765 57.148 56.400 -0.028 0.000 0.852 28 E CB -0.202 29.494 29.700 -0.007 0.000 0.783 28 E HN 0.550 nan 8.360 nan 0.000 0.505 29 Q N 0.317 120.103 119.800 -0.024 0.000 2.424 29 Q HA 0.180 4.527 4.340 0.011 0.000 0.204 29 Q C 2.273 178.256 176.000 -0.029 0.000 0.933 29 Q CA -0.047 55.748 55.803 -0.014 0.000 0.929 29 Q CB 0.096 28.840 28.738 0.010 0.000 1.037 29 Q HN 0.238 nan 8.270 nan 0.000 0.511 30 L N 0.869 122.050 121.223 -0.069 0.000 2.042 30 L HA -0.178 4.168 4.340 0.011 0.000 0.210 30 L C -0.690 176.153 176.870 -0.045 0.000 1.076 30 L CA 1.429 56.219 54.840 -0.084 0.000 0.749 30 L CB -1.553 40.396 42.059 -0.184 0.000 0.893 30 L HN 0.165 nan 8.230 nan 0.000 0.432 31 P HA -0.179 nan 4.420 nan 0.000 0.216 31 P C 1.419 178.707 177.300 -0.020 0.000 1.150 31 P CA 1.762 64.846 63.100 -0.026 0.000 0.837 31 P CB -0.007 31.678 31.700 -0.026 0.000 0.786 32 A N -0.901 121.908 122.820 -0.018 0.000 1.930 32 A HA -0.151 4.176 4.320 0.011 0.000 0.217 32 A C 2.107 179.685 177.584 -0.010 0.000 1.175 32 A CA 1.289 53.318 52.037 -0.013 0.000 0.627 32 A CB -1.557 17.438 19.000 -0.009 0.000 0.815 32 A HN 0.161 nan 8.150 nan 0.000 0.443 33 L N -0.726 120.493 121.223 -0.007 0.000 2.044 33 L HA -0.067 4.279 4.340 0.011 0.000 0.205 33 L C 2.409 179.279 176.870 -0.000 0.000 1.075 33 L CA 2.662 57.502 54.840 -0.000 0.000 0.747 33 L CB -1.142 40.924 42.059 0.011 0.000 0.903 33 L HN 0.330 nan 8.230 nan 0.000 0.435 34 T N -0.530 114.023 114.554 -0.001 0.000 2.680 34 T HA -0.307 4.050 4.350 0.011 0.000 0.268 34 T C 1.830 176.523 174.700 -0.012 0.000 1.033 34 T CA 2.201 64.302 62.100 0.000 0.000 1.152 34 T CB -0.157 68.710 68.868 -0.003 0.000 0.859 34 T HN 0.488 nan 8.240 nan 0.000 0.452 35 E N -0.295 119.894 120.200 -0.018 0.000 2.122 35 E HA -0.048 4.309 4.350 0.011 0.000 0.190 35 E C 2.303 178.892 176.600 -0.018 0.000 0.977 35 E CA 0.511 56.896 56.400 -0.025 0.000 0.820 35 E CB 0.090 29.774 29.700 -0.027 0.000 0.770 35 E HN 0.545 nan 8.360 nan 0.000 0.462 36 E N 0.292 120.484 120.200 -0.014 0.000 2.058 36 E HA -0.215 4.142 4.350 0.011 0.000 0.194 36 E C 1.999 178.593 176.600 -0.011 0.000 0.997 36 E CA 0.696 57.088 56.400 -0.013 0.000 0.801 36 E CB 0.050 29.742 29.700 -0.014 0.000 0.746 36 E HN 0.140 nan 8.360 nan 0.000 0.450 37 L N 1.071 122.290 121.223 -0.007 0.000 2.012 37 L HA -0.191 4.156 4.340 0.011 0.000 0.210 37 L C 2.274 179.149 176.870 0.008 0.000 1.073 37 L CA 1.615 56.456 54.840 0.001 0.000 0.748 37 L CB -0.811 41.255 42.059 0.012 0.000 0.891 37 L HN 0.045 nan 8.230 nan 0.000 0.431 38 R N -1.014 119.484 120.500 -0.003 0.000 2.097 38 R HA -0.193 4.154 4.340 0.011 0.000 0.236 38 R C 2.182 178.485 176.300 0.004 0.000 1.135 38 R CA 1.596 57.690 56.100 -0.009 0.000 0.934 38 R CB -1.048 29.229 30.300 -0.040 0.000 0.846 38 R HN 0.515 nan 8.270 nan 0.000 0.431 39 G N 0.598 109.397 108.800 -0.002 0.000 2.469 39 G HA2 -0.369 3.597 3.960 0.011 0.000 0.219 39 G HA3 -0.369 3.597 3.960 0.011 0.000 0.219 39 G C 1.292 176.204 174.900 0.018 0.000 1.150 39 G CA 1.276 46.382 45.100 0.009 0.000 0.763 39 G HN 0.353 nan 8.290 nan 0.000 0.561 40 E N 0.560 120.765 120.200 0.009 0.000 2.077 40 E HA -0.071 4.286 4.350 0.011 0.000 0.193 40 E C 2.383 178.995 176.600 0.021 0.000 0.989 40 E CA 0.909 57.310 56.400 0.002 0.000 0.800 40 E CB -0.392 29.300 29.700 -0.013 0.000 0.746 40 E HN 0.515 nan 8.360 nan 0.000 0.452 41 I N -0.453 120.148 120.570 0.051 0.000 2.439 41 I HA -0.192 3.985 4.170 0.011 0.000 0.251 41 I C 2.059 178.262 176.117 0.144 0.000 1.139 41 I CA 0.440 61.804 61.300 0.106 0.000 1.438 41 I CB 0.028 38.114 38.000 0.144 0.000 1.085 41 I HN 0.042 nan 8.210 nan 0.000 0.427 42 V N 0.489 120.484 119.914 0.134 0.000 2.358 42 V HA -0.227 3.900 4.120 0.011 0.000 0.246 42 V C 2.532 178.717 176.094 0.151 0.000 1.047 42 V CA 1.685 64.119 62.300 0.222 0.000 1.035 42 V CB -0.713 31.225 31.823 0.191 0.000 0.658 42 V HN 0.343 nan 8.190 nan 0.000 0.452 43 R N -0.362 120.173 120.500 0.060 0.000 2.081 43 R HA -0.120 4.227 4.340 0.011 0.000 0.235 43 R C 2.299 178.579 176.300 -0.033 0.000 1.131 43 R CA 1.419 57.515 56.100 -0.008 0.000 0.960 43 R CB -0.527 29.767 30.300 -0.011 0.000 0.856 43 R HN 0.388 nan 8.270 nan 0.000 0.436 44 V N -0.041 119.867 119.914 -0.010 0.000 2.332 44 V HA -0.321 3.805 4.120 0.011 0.000 0.248 44 V C 2.202 178.285 176.094 -0.018 0.000 1.055 44 V CA 1.611 63.887 62.300 -0.040 0.000 1.038 44 V CB -0.257 31.525 31.823 -0.069 0.000 0.651 44 V HN 0.497 nan 8.190 nan 0.000 0.450 45 C N 0.231 119.576 119.300 0.076 0.000 2.563 45 C HA 0.010 4.476 4.460 0.011 0.000 0.268 45 C C 2.960 178.003 174.990 0.088 0.000 1.365 45 C CA 0.623 59.748 59.018 0.177 0.000 1.754 45 C CB -0.926 27.045 27.740 0.385 0.000 1.932 45 C HN 0.746 nan 8.230 nan 0.000 0.536 46 S N 0.768 116.293 115.700 -0.293 0.000 2.500 46 S HA -0.163 4.314 4.470 0.011 0.000 0.239 46 S C 1.708 176.082 174.600 -0.376 0.000 0.989 46 S CA 0.721 58.365 58.200 -0.925 0.000 0.951 46 S CB -0.508 62.120 63.200 -0.954 0.000 0.759 46 S HN 0.663 nan 8.310 nan 0.000 0.523 47 R N 1.760 122.160 120.500 -0.167 0.000 2.122 47 R HA 0.079 4.425 4.340 0.011 0.000 0.236 47 R C 1.383 177.669 176.300 -0.023 0.000 1.129 47 R CA 1.750 57.804 56.100 -0.076 0.000 0.925 47 R CB -0.511 29.756 30.300 -0.054 0.000 0.850 47 R HN 0.610 nan 8.270 nan 0.000 0.431 48 G N -3.412 105.401 108.800 0.021 0.000 2.452 48 G HA2 0.134 4.101 3.960 0.011 0.000 0.224 48 G HA3 0.134 4.101 3.960 0.011 0.000 0.224 48 G C -0.816 174.100 174.900 0.028 0.000 1.208 48 G CA -0.464 44.661 45.100 0.042 0.000 0.946 48 G HN 0.349 nan 8.290 nan 0.000 0.481 49 G N 0.812 109.600 108.800 -0.019 0.000 2.686 49 G HA2 0.441 4.408 3.960 0.011 0.000 0.280 49 G HA3 0.441 4.408 3.960 0.011 0.000 0.280 49 G C 0.187 175.012 174.900 -0.125 0.000 0.666 49 G CA 0.542 45.597 45.100 -0.075 0.000 2.114 49 G HN 0.547 nan 8.290 nan 0.000 0.553 50 L N 0.153 121.320 121.223 -0.093 0.000 2.211 50 L HA 0.483 4.829 4.340 0.011 0.000 0.259 50 L C -0.020 176.750 176.870 -0.167 0.000 1.031 50 L CA -1.316 53.474 54.840 -0.083 0.000 0.877 50 L CB 1.546 43.665 42.059 0.100 0.000 1.457 50 L HN 0.179 nan 8.230 nan 0.000 0.466 51 H N 1.789 120.877 119.070 0.030 0.000 2.565 51 H HA 0.147 4.709 4.556 0.010 0.000 0.231 51 H C 0.657 175.829 175.328 -0.260 0.000 1.692 51 H CA -0.199 55.704 56.048 -0.241 0.000 1.269 51 H CB 0.862 30.383 29.762 -0.403 0.000 1.615 51 H HN 0.418 nan 8.280 nan 0.000 0.554 52 L N 2.143 123.393 121.223 0.046 0.000 1.943 52 L HA -0.169 4.178 4.340 0.011 0.000 0.215 52 L C 2.357 179.236 176.870 0.014 0.000 1.074 52 L CA 2.200 57.102 54.840 0.103 0.000 0.759 52 L CB -0.502 41.691 42.059 0.224 0.000 0.888 52 L HN 0.426 nan 8.230 nan 0.000 0.433 53 A N -1.471 121.374 122.820 0.042 0.000 1.940 53 A HA -0.200 4.127 4.320 0.011 0.000 0.219 53 A C 2.386 179.968 177.584 -0.003 0.000 1.176 53 A CA 2.131 54.196 52.037 0.047 0.000 0.631 53 A CB -1.037 18.049 19.000 0.143 0.000 0.814 53 A HN 0.587 nan 8.150 nan 0.000 0.446 54 S N -0.437 115.223 115.700 -0.067 0.000 2.383 54 S HA -0.076 4.400 4.470 0.011 0.000 0.227 54 S C 2.299 176.765 174.600 -0.224 0.000 1.026 54 S CA 1.333 59.447 58.200 -0.143 0.000 0.981 54 S CB -0.191 62.829 63.200 -0.300 0.000 0.818 54 S HN 0.623 nan 8.310 nan 0.000 0.472 55 S N 1.405 116.938 115.700 -0.278 0.000 2.371 55 S HA 0.148 4.624 4.470 0.011 0.000 0.224 55 S C 1.785 176.329 174.600 -0.094 0.000 1.029 55 S CA 0.612 58.653 58.200 -0.265 0.000 0.978 55 S CB -0.305 62.646 63.200 -0.416 0.000 0.833 55 S HN 0.363 nan 8.310 nan 0.000 0.466 56 L N 1.000 122.190 121.223 -0.055 0.000 2.042 56 L HA -0.108 4.238 4.340 0.011 0.000 0.210 56 L C 2.718 179.577 176.870 -0.018 0.000 1.076 56 L CA 1.304 56.125 54.840 -0.032 0.000 0.749 56 L CB -1.160 40.871 42.059 -0.047 0.000 0.893 56 L HN 0.416 nan 8.230 nan 0.000 0.432 57 G N -0.470 108.333 108.800 0.005 0.000 2.462 57 G HA2 -0.177 3.790 3.960 0.011 0.000 0.220 57 G HA3 -0.177 3.790 3.960 0.011 0.000 0.220 57 G C 1.282 176.279 174.900 0.161 0.000 1.121 57 G CA 0.781 45.943 45.100 0.103 0.000 0.758 57 G HN 0.490 nan 8.290 nan 0.000 0.559 58 A N -0.404 122.458 122.820 0.070 0.000 2.535 58 A HA 0.607 4.933 4.320 0.011 0.000 0.273 58 A C 1.894 179.540 177.584 0.102 0.000 1.267 58 A CA 0.069 52.160 52.037 0.089 0.000 0.940 58 A CB 0.352 19.382 19.000 0.050 0.000 1.101 58 A HN 0.098 nan 8.150 nan 0.000 0.521 59 V N 0.450 120.416 119.914 0.087 0.000 2.343 59 V HA -0.239 3.888 4.120 0.011 0.000 0.247 59 V C 2.089 178.247 176.094 0.108 0.000 1.051 59 V CA 2.509 64.857 62.300 0.081 0.000 1.036 59 V CB -0.406 31.440 31.823 0.039 0.000 0.654 59 V HN 0.590 nan 8.190 nan 0.000 0.451 60 D N -0.592 119.887 120.400 0.132 0.000 2.123 60 D HA -0.082 4.564 4.640 0.011 0.000 0.200 60 D C 2.109 178.476 176.300 0.111 0.000 0.976 60 D CA 1.178 55.251 54.000 0.122 0.000 0.831 60 D CB 0.099 40.997 40.800 0.163 0.000 0.974 60 D HN 0.399 nan 8.370 nan 0.000 0.469 61 I N 1.138 121.777 120.570 0.115 0.000 2.353 61 I HA -0.186 3.990 4.170 0.011 0.000 0.248 61 I C 2.302 178.498 176.117 0.133 0.000 1.119 61 I CA 0.644 62.002 61.300 0.098 0.000 1.417 61 I CB 0.081 38.123 38.000 0.070 0.000 1.078 61 I HN -0.108 nan 8.210 nan 0.000 0.421 62 I N 0.457 121.144 120.570 0.196 0.000 2.208 62 I HA -0.334 3.843 4.170 0.011 0.000 0.245 62 I C 2.373 178.671 176.117 0.301 0.000 1.097 62 I CA 1.764 63.244 61.300 0.299 0.000 1.363 62 I CB -0.589 37.621 38.000 0.349 0.000 1.051 62 I HN 0.245 nan 8.210 nan 0.000 0.413 63 T N 0.780 115.465 114.554 0.218 0.000 2.674 63 T HA -0.177 4.179 4.350 0.011 0.000 0.265 63 T C 2.095 176.913 174.700 0.197 0.000 1.039 63 T CA 1.509 63.727 62.100 0.197 0.000 1.150 63 T CB -0.450 68.488 68.868 0.117 0.000 0.864 63 T HN 0.482 nan 8.240 nan 0.000 0.427 64 A N 1.103 124.003 122.820 0.133 0.000 1.940 64 A HA -0.029 4.298 4.320 0.011 0.000 0.219 64 A C 2.348 180.015 177.584 0.139 0.000 1.176 64 A CA 1.296 53.405 52.037 0.119 0.000 0.631 64 A CB -0.942 18.100 19.000 0.070 0.000 0.814 64 A HN 0.468 nan 8.150 nan 0.000 0.446 65 L N -1.622 119.657 121.223 0.093 0.000 2.017 65 L HA -0.179 4.168 4.340 0.011 0.000 0.208 65 L C 2.639 179.503 176.870 -0.010 0.000 1.073 65 L CA 1.359 56.197 54.840 -0.004 0.000 0.745 65 L CB -0.604 41.398 42.059 -0.095 0.000 0.894 65 L HN 0.476 nan 8.230 nan 0.000 0.432 66 H N -2.017 117.143 119.070 0.150 0.000 2.462 66 H HA -0.161 4.401 4.556 0.010 0.000 0.292 66 H C 1.936 177.341 175.328 0.128 0.000 1.049 66 H CA 1.345 57.477 56.048 0.139 0.000 1.334 66 H CB 0.065 29.912 29.762 0.141 0.000 1.404 66 H HN 0.354 nan 8.280 nan 0.000 0.544 67 Y N 0.828 121.215 120.300 0.146 0.000 2.200 67 Y HA -0.180 4.377 4.550 0.011 0.000 0.290 67 Y C 2.390 178.320 175.900 0.050 0.000 1.137 67 Y CA 1.071 59.224 58.100 0.089 0.000 1.163 67 Y CB -0.093 38.410 38.460 0.072 0.000 0.988 67 Y HN -0.128 nan 8.280 nan 0.000 0.518 68 V N 0.209 120.222 119.914 0.165 0.000 2.331 68 V HA -0.150 3.977 4.120 0.011 0.000 0.242 68 V C 1.273 177.343 176.094 -0.039 0.000 1.034 68 V CA 1.025 63.352 62.300 0.045 0.000 1.027 68 V CB -0.478 31.365 31.823 0.034 0.000 0.667 68 V HN 0.127 nan 8.190 nan 0.000 0.457 69 L N 0.981 122.183 121.223 -0.034 0.000 2.600 69 L HA 0.382 4.728 4.340 0.011 0.000 0.221 69 L C -0.336 176.561 176.870 0.046 0.000 1.197 69 L CA -0.379 54.450 54.840 -0.018 0.000 0.838 69 L CB 0.216 42.257 42.059 -0.030 0.000 1.474 69 L HN 0.374 nan 8.230 nan 0.000 0.514 70 D N -0.879 119.577 120.400 0.093 0.000 2.323 70 D HA 0.168 4.815 4.640 0.011 0.000 0.242 70 D C -0.785 175.608 176.300 0.154 0.000 1.347 70 D CA -0.512 53.567 54.000 0.132 0.000 0.988 70 D CB 1.017 41.874 40.800 0.096 0.000 1.314 70 D HN 0.431 nan 8.370 nan 0.000 0.564 71 S N 1.876 117.718 115.700 0.237 0.000 2.572 71 S HA 0.340 4.817 4.470 0.011 0.000 0.279 71 S C -1.755 172.978 174.600 0.221 0.000 1.341 71 S CA -0.685 57.658 58.200 0.239 0.000 1.043 71 S CB 1.405 64.872 63.200 0.446 0.000 0.887 71 S HN 0.234 nan 8.310 nan 0.000 0.516 72 P HA 0.131 nan 4.420 nan 0.000 0.226 72 P C 1.159 178.392 177.300 -0.110 0.000 1.161 72 P CA 0.295 63.313 63.100 -0.138 0.000 0.804 72 P CB 0.104 31.652 31.700 -0.253 0.000 0.829 73 R N 0.093 120.551 120.500 -0.069 0.000 2.112 73 R HA -0.094 4.253 4.340 0.011 0.000 0.242 73 R C 0.765 176.982 176.300 -0.138 0.000 1.137 73 R CA 1.375 57.417 56.100 -0.097 0.000 0.944 73 R CB -1.181 29.117 30.300 -0.004 0.000 0.857 73 R HN 0.293 nan 8.270 nan 0.000 0.435 74 D N -0.090 120.313 120.400 0.006 0.000 2.294 74 D HA 0.194 4.841 4.640 0.011 0.000 0.250 74 D C -0.465 175.843 176.300 0.013 0.000 1.058 74 D CA -0.349 53.702 54.000 0.085 0.000 0.950 74 D CB 1.109 42.026 40.800 0.194 0.000 1.158 74 D HN -0.184 nan 8.370 nan 0.000 0.453 75 R N 0.987 121.513 120.500 0.044 0.000 2.310 75 R HA 0.420 4.767 4.340 0.011 0.000 0.316 75 R C -0.830 175.459 176.300 -0.018 0.000 1.004 75 R CA -0.413 55.684 56.100 -0.005 0.000 0.900 75 R CB 0.215 30.521 30.300 0.010 0.000 1.152 75 R HN 0.321 nan 8.270 nan 0.000 0.513 76 I N 5.327 125.857 120.570 -0.067 0.000 2.304 76 I HA 0.280 4.456 4.170 0.011 0.000 0.291 76 I C -0.570 175.360 176.117 -0.311 0.000 1.018 76 I CA -0.792 60.370 61.300 -0.231 0.000 1.260 76 I CB 0.873 38.678 38.000 -0.324 0.000 1.390 76 I HN 0.208 nan 8.210 nan 0.000 0.475 77 L N 7.017 128.033 121.223 -0.345 0.000 2.325 77 L HA 0.515 4.862 4.340 0.011 0.000 0.278 77 L C -0.699 175.925 176.870 -0.411 0.000 1.023 77 L CA -0.020 54.672 54.840 -0.247 0.000 0.811 77 L CB 0.995 42.990 42.059 -0.106 0.000 1.249 77 L HN 0.311 nan 8.230 nan 0.000 0.431 78 F N 1.104 121.031 119.950 -0.038 0.000 2.467 78 F HA 0.292 4.825 4.527 0.011 0.000 0.336 78 F C 0.475 176.292 175.800 0.029 0.000 1.123 78 F CA -0.688 57.301 58.000 -0.018 0.000 0.964 78 F CB 1.521 40.501 39.000 -0.033 0.000 1.136 78 F HN 0.433 nan 8.300 nan 0.000 0.447 79 D N 3.034 123.563 120.400 0.216 0.000 2.348 79 D HA 0.269 4.915 4.640 0.011 0.000 0.253 79 D C 0.959 177.398 176.300 0.231 0.000 1.161 79 D CA 0.534 54.634 54.000 0.167 0.000 0.876 79 D CB 1.199 42.064 40.800 0.110 0.000 1.160 79 D HN 0.554 nan 8.370 nan 0.000 0.459 80 V N 3.769 123.795 119.914 0.186 0.000 0.524 80 V HA -0.428 3.699 4.120 0.011 0.000 0.092 80 V C 1.661 177.962 176.094 0.344 0.000 2.204 80 V CA 2.026 64.450 62.300 0.206 0.000 3.556 80 V CB -2.082 29.837 31.823 0.161 0.000 0.846 80 V HN 0.922 nan 8.190 nan 0.000 0.884 81 G N -0.570 108.473 108.800 0.406 0.000 2.179 81 G HA2 -0.285 3.681 3.960 0.011 0.000 0.220 81 G HA3 -0.285 3.681 3.960 0.011 0.000 0.220 81 G C 0.390 175.419 174.900 0.215 0.000 0.990 81 G CA 0.857 46.138 45.100 0.302 0.000 0.646 81 G HN 1.915 nan 8.290 nan 0.000 0.517 82 H N 1.086 120.188 119.070 0.052 0.000 2.546 82 H HA 0.060 4.622 4.556 0.009 0.000 0.277 82 H C 1.870 176.931 175.328 -0.445 0.000 1.004 82 H CA 1.422 57.267 56.048 -0.338 0.000 1.231 82 H CB -0.074 29.238 29.762 -0.750 0.000 1.382 82 H HN 0.622 nan 8.280 nan 0.000 0.580 83 Q N 0.491 119.856 119.800 -0.724 0.000 2.247 83 Q HA 0.300 4.647 4.340 0.011 0.000 0.204 83 Q C 0.727 176.451 176.000 -0.459 0.000 0.872 83 Q CA 0.462 55.880 55.803 -0.642 0.000 0.951 83 Q CB 0.196 28.624 28.738 -0.517 0.000 1.099 83 Q HN 0.412 nan 8.270 nan 0.000 0.501 84 A N 0.184 122.725 122.820 -0.465 0.000 2.507 84 A HA 0.207 4.534 4.320 0.011 0.000 0.270 84 A C 0.462 178.020 177.584 -0.042 0.000 1.318 84 A CA -0.504 51.233 52.037 -0.500 0.000 0.924 84 A CB -0.365 17.995 19.000 -1.065 0.000 1.061 84 A HN 0.181 nan 8.150 nan 0.000 0.516 85 Y N -0.005 120.208 120.300 -0.145 0.000 2.151 85 Y HA -0.272 4.285 4.550 0.010 0.000 0.284 85 Y C 2.777 178.640 175.900 -0.062 0.000 1.166 85 Y CA 0.744 58.792 58.100 -0.086 0.000 1.163 85 Y CB -1.279 37.141 38.460 -0.067 0.000 0.974 85 Y HN 0.436 nan 8.280 nan 0.000 0.511 86 A N -0.266 122.632 122.820 0.129 0.000 1.883 86 A HA -0.313 4.013 4.320 0.011 0.000 0.217 86 A C 2.110 179.736 177.584 0.071 0.000 1.186 86 A CA 2.178 54.264 52.037 0.081 0.000 0.624 86 A CB -1.341 17.716 19.000 0.095 0.000 0.822 86 A HN 0.630 nan 8.150 nan 0.000 0.444 87 H N 0.032 119.115 119.070 0.021 0.000 2.352 87 H HA -0.108 4.454 4.556 0.010 0.000 0.299 87 H C 1.920 177.230 175.328 -0.029 0.000 1.097 87 H CA 2.282 58.370 56.048 0.066 0.000 1.311 87 H CB -0.023 29.798 29.762 0.097 0.000 1.377 87 H HN 0.430 nan 8.280 nan 0.000 0.504 88 K N -0.069 120.258 120.400 -0.122 0.000 2.062 88 K HA -0.062 4.264 4.320 0.011 0.000 0.205 88 K C 2.358 178.841 176.600 -0.194 0.000 1.051 88 K CA 1.434 57.609 56.287 -0.186 0.000 0.941 88 K CB -0.015 32.443 32.500 -0.070 0.000 0.719 88 K HN 0.376 nan 8.250 nan 0.000 0.440 89 I N 1.318 121.806 120.570 -0.136 0.000 2.286 89 I HA -0.238 3.938 4.170 0.011 0.000 0.248 89 I C 1.897 177.907 176.117 -0.178 0.000 1.115 89 I CA 1.139 62.358 61.300 -0.134 0.000 1.392 89 I CB -0.143 37.807 38.000 -0.083 0.000 1.065 89 I HN 0.040 nan 8.210 nan 0.000 0.418 90 L N 0.128 121.218 121.223 -0.221 0.000 2.599 90 L HA 0.027 4.374 4.340 0.011 0.000 0.230 90 L C 0.759 177.370 176.870 -0.433 0.000 1.141 90 L CA 0.432 55.099 54.840 -0.289 0.000 0.877 90 L CB -0.527 41.359 42.059 -0.288 0.000 1.009 90 L HN 0.319 nan 8.230 nan 0.000 0.447 91 T N -3.691 110.596 114.554 -0.446 0.000 3.532 91 T HA 0.466 4.823 4.350 0.011 0.000 0.241 91 T C 0.963 175.509 174.700 -0.256 0.000 1.238 91 T CA -0.008 61.788 62.100 -0.507 0.000 1.405 91 T CB 0.719 69.123 68.868 -0.772 0.000 0.971 91 T HN 0.258 nan 8.240 nan 0.000 0.640 92 G N 2.216 110.914 108.800 -0.171 0.000 2.153 92 G HA2 -0.311 3.655 3.960 0.011 0.000 0.252 92 G HA3 -0.311 3.655 3.960 0.011 0.000 0.252 92 G C 0.649 175.512 174.900 -0.061 0.000 0.994 92 G CA 0.317 45.375 45.100 -0.069 0.000 0.698 92 G HN 0.663 nan 8.290 nan 0.000 0.521 93 R N -0.784 119.656 120.500 -0.101 0.000 2.572 93 R HA 0.305 4.652 4.340 0.011 0.000 0.370 93 R C 2.095 178.335 176.300 -0.102 0.000 1.005 93 R CA 0.002 56.051 56.100 -0.084 0.000 1.146 93 R CB 0.123 30.376 30.300 -0.078 0.000 1.390 93 R HN 0.295 nan 8.270 nan 0.000 0.553 94 R N 1.568 121.999 120.500 -0.115 0.000 2.133 94 R HA -0.204 4.142 4.340 0.011 0.000 0.247 94 R C 0.342 176.583 176.300 -0.098 0.000 1.151 94 R CA 2.079 58.110 56.100 -0.115 0.000 0.971 94 R CB -0.002 30.221 30.300 -0.129 0.000 0.866 94 R HN 0.127 nan 8.270 nan 0.000 0.447 95 D N 0.412 120.763 120.400 -0.080 0.000 2.234 95 D HA -0.105 4.541 4.640 0.011 0.000 0.205 95 D C 1.354 177.616 176.300 -0.062 0.000 0.962 95 D CA 0.902 54.864 54.000 -0.062 0.000 0.855 95 D CB 0.043 40.819 40.800 -0.041 0.000 0.951 95 D HN 0.506 nan 8.370 nan 0.000 0.500 96 Q N -0.387 119.372 119.800 -0.068 0.000 2.246 96 Q HA 0.127 4.474 4.340 0.011 0.000 0.202 96 Q C 1.305 177.243 176.000 -0.104 0.000 0.883 96 Q CA -0.082 55.681 55.803 -0.067 0.000 0.952 96 Q CB 0.229 28.940 28.738 -0.045 0.000 1.078 96 Q HN 0.191 nan 8.270 nan 0.000 0.493 97 M N 0.768 120.289 119.600 -0.133 0.000 2.374 97 M HA 0.010 4.497 4.480 0.011 0.000 0.264 97 M C 2.043 178.245 176.300 -0.162 0.000 1.067 97 M CA 1.200 56.383 55.300 -0.195 0.000 1.103 97 M CB -1.075 31.395 32.600 -0.217 0.000 1.402 97 M HN 0.334 nan 8.290 nan 0.000 0.444 98 A N 0.336 123.089 122.820 -0.110 0.000 1.978 98 A HA -0.162 4.165 4.320 0.011 0.000 0.220 98 A C 1.571 179.106 177.584 -0.082 0.000 1.170 98 A CA 1.802 53.788 52.037 -0.086 0.000 0.636 98 A CB -0.412 18.550 19.000 -0.062 0.000 0.810 98 A HN 0.438 nan 8.150 nan 0.000 0.448 99 D N -1.316 119.037 120.400 -0.079 0.000 2.431 99 D HA 0.195 4.842 4.640 0.011 0.000 0.213 99 D C 0.369 176.621 176.300 -0.079 0.000 1.130 99 D CA -0.377 53.588 54.000 -0.059 0.000 0.834 99 D CB -0.009 40.775 40.800 -0.027 0.000 0.985 99 D HN 0.507 nan 8.370 nan 0.000 0.504 100 I N 1.380 121.866 120.570 -0.139 0.000 2.845 100 I HA -0.223 3.954 4.170 0.011 0.000 0.296 100 I C 0.671 176.671 176.117 -0.195 0.000 1.216 100 I CA 0.866 62.048 61.300 -0.197 0.000 1.438 100 I CB 0.259 38.080 38.000 -0.300 0.000 1.342 100 I HN 0.046 nan 8.210 nan 0.000 0.577 101 K N 2.478 122.702 120.400 -0.292 0.000 3.606 101 K HA -0.226 4.101 4.320 0.011 0.000 0.289 101 K C -0.103 176.471 176.600 -0.043 0.000 1.221 101 K CA 1.350 57.472 56.287 -0.276 0.000 1.028 101 K CB -0.947 31.444 32.500 -0.182 0.000 1.299 101 K HN 0.609 nan 8.250 nan 0.000 0.454 102 K N 2.043 122.447 120.400 0.007 0.000 2.295 102 K HA 0.097 4.423 4.320 0.011 0.000 0.270 102 K C 0.196 176.910 176.600 0.191 0.000 1.011 102 K CA -0.219 56.114 56.287 0.076 0.000 0.953 102 K CB 0.792 33.309 32.500 0.027 0.000 0.956 102 K HN 0.127 nan 8.250 nan 0.000 0.477 103 E N 0.398 120.674 120.200 0.125 0.000 2.481 103 E HA -0.105 4.251 4.350 0.011 0.000 0.263 103 E C 0.750 177.386 176.600 0.060 0.000 0.992 103 E CA 1.038 57.486 56.400 0.079 0.000 0.938 103 E CB 0.187 29.904 29.700 0.028 0.000 0.933 103 E HN 0.746 nan 8.360 nan 0.000 0.453 104 G N 2.479 111.291 108.800 0.020 0.000 2.245 104 G HA2 -0.277 3.690 3.960 0.011 0.000 0.264 104 G HA3 -0.277 3.690 3.960 0.011 0.000 0.264 104 G C 0.433 175.371 174.900 0.063 0.000 0.985 104 G CA 0.263 45.377 45.100 0.023 0.000 0.625 104 G HN 0.884 nan 8.290 nan 0.000 0.536 105 G N -0.367 108.513 108.800 0.133 0.000 2.613 105 G HA2 0.768 4.735 3.960 0.011 0.000 0.303 105 G HA3 0.768 4.735 3.960 0.011 0.000 0.303 105 G C 0.506 175.539 174.900 0.222 0.000 1.312 105 G CA -0.540 44.636 45.100 0.127 0.000 1.036 105 G HN 1.272 nan 8.290 nan 0.000 0.513 106 I N -1.105 119.520 120.570 0.093 0.000 2.836 106 I HA 0.416 4.593 4.170 0.011 0.000 0.285 106 I C 0.745 176.817 176.117 -0.076 0.000 1.174 106 I CA -0.494 60.847 61.300 0.069 0.000 1.405 106 I CB 0.982 38.981 38.000 -0.001 0.000 1.385 106 I HN 0.368 nan 8.210 nan 0.000 0.594 107 S N 3.409 119.077 115.700 -0.054 0.000 2.580 107 S HA 0.368 4.845 4.470 0.011 0.000 0.274 107 S C 1.302 175.774 174.600 -0.214 0.000 1.329 107 S CA -0.091 57.930 58.200 -0.298 0.000 1.036 107 S CB 1.147 64.430 63.200 0.139 0.000 0.919 107 S HN 0.941 nan 8.310 nan 0.000 0.515 108 G N 2.678 111.288 108.800 -0.315 0.000 2.432 108 G HA2 0.055 4.021 3.960 0.011 0.000 0.219 108 G HA3 0.055 4.021 3.960 0.011 0.000 0.219 108 G C 0.117 174.798 174.900 -0.365 0.000 1.135 108 G CA 0.533 45.407 45.100 -0.377 0.000 0.767 108 G HN 0.607 nan 8.290 nan 0.000 0.550 109 F N -0.865 119.160 119.950 0.126 0.000 2.557 109 F HA 0.508 5.041 4.527 0.010 0.000 0.336 109 F C 0.781 176.656 175.800 0.125 0.000 1.058 109 F CA -1.196 56.888 58.000 0.139 0.000 0.988 109 F CB 0.390 39.480 39.000 0.150 0.000 1.275 109 F HN -0.344 nan 8.300 nan 0.000 0.488 110 T N 1.747 116.494 114.554 0.321 0.000 2.891 110 T HA 0.084 4.441 4.350 0.011 0.000 0.296 110 T C -0.349 174.493 174.700 0.236 0.000 1.025 110 T CA 0.538 62.793 62.100 0.259 0.000 1.149 110 T CB -0.174 68.843 68.868 0.247 0.000 1.007 110 T HN 0.520 nan 8.240 nan 0.000 0.528 111 K N 3.265 123.787 120.400 0.205 0.000 2.553 111 K HA 0.407 4.734 4.320 0.011 0.000 0.250 111 K C 0.543 177.225 176.600 0.135 0.000 0.953 111 K CA -0.694 55.690 56.287 0.161 0.000 0.800 111 K CB 1.269 33.873 32.500 0.172 0.000 1.243 111 K HN 0.299 nan 8.250 nan 0.000 0.435 112 V N 1.986 121.960 119.914 0.099 0.000 2.343 112 V HA -0.199 3.927 4.120 0.011 0.000 0.247 112 V C 1.720 177.856 176.094 0.070 0.000 1.051 112 V CA 2.524 64.872 62.300 0.080 0.000 1.036 112 V CB -0.089 31.764 31.823 0.050 0.000 0.654 112 V HN 0.922 nan 8.190 nan 0.000 0.451 113 S N -1.238 114.500 115.700 0.064 0.000 2.607 113 S HA -0.056 4.420 4.470 0.011 0.000 0.224 113 S C 1.599 176.240 174.600 0.068 0.000 0.969 113 S CA 0.951 59.185 58.200 0.056 0.000 0.927 113 S CB -0.136 63.093 63.200 0.048 0.000 0.772 113 S HN 0.747 nan 8.310 nan 0.000 0.533 114 E N 0.698 120.951 120.200 0.090 0.000 2.276 114 E HA 0.163 4.519 4.350 0.011 0.000 0.193 114 E C -0.002 176.655 176.600 0.094 0.000 0.983 114 E CA 0.151 56.608 56.400 0.096 0.000 0.861 114 E CB 0.420 30.192 29.700 0.120 0.000 0.817 114 E HN 0.422 nan 8.360 nan 0.000 0.485 115 S N -1.044 114.721 115.700 0.107 0.000 2.542 115 S HA 0.043 4.519 4.470 0.011 0.000 0.276 115 S C -0.179 174.478 174.600 0.095 0.000 1.148 115 S CA -0.592 57.680 58.200 0.120 0.000 0.886 115 S CB 1.300 64.607 63.200 0.178 0.000 1.109 115 S HN 0.286 nan 8.310 nan 0.000 0.458 116 E N 1.567 121.781 120.200 0.023 0.000 2.401 116 E HA -0.135 4.222 4.350 0.011 0.000 0.199 116 E C 0.630 177.174 176.600 -0.093 0.000 1.023 116 E CA 1.338 57.694 56.400 -0.073 0.000 0.859 116 E CB -0.356 29.248 29.700 -0.160 0.000 0.780 116 E HN 0.762 nan 8.360 nan 0.000 0.523 117 H N 0.404 119.552 119.070 0.130 0.000 2.548 117 H HA 0.096 4.659 4.556 0.011 0.000 0.268 117 H C -0.206 175.337 175.328 0.357 0.000 0.975 117 H CA 0.407 56.597 56.048 0.236 0.000 1.195 117 H CB 0.287 30.176 29.762 0.212 0.000 1.397 117 H HN 0.062 nan 8.280 nan 0.000 0.572 118 D N 0.452 121.067 120.400 0.359 0.000 2.441 118 D HA 0.187 4.834 4.640 0.011 0.000 0.221 118 D C 0.862 177.267 176.300 0.176 0.000 1.156 118 D CA -0.023 54.166 54.000 0.315 0.000 0.896 118 D CB 1.256 42.223 40.800 0.280 0.000 1.028 118 D HN 0.292 nan 8.370 nan 0.000 0.509 119 A N 3.439 126.344 122.820 0.142 0.000 1.902 119 A HA -0.026 4.300 4.320 0.011 0.000 0.217 119 A C 1.113 178.733 177.584 0.059 0.000 1.181 119 A CA 0.957 53.034 52.037 0.066 0.000 0.623 119 A CB -0.369 18.648 19.000 0.028 0.000 0.818 119 A HN 0.682 nan 8.150 nan 0.000 0.443 120 I N -5.014 115.604 120.570 0.081 0.000 2.892 120 I HA 0.570 4.747 4.170 0.011 0.000 0.306 120 I C -0.845 175.324 176.117 0.087 0.000 1.078 120 I CA -0.774 60.566 61.300 0.066 0.000 1.032 120 I CB 2.216 40.245 38.000 0.048 0.000 1.229 120 I HN -0.188 nan 8.210 nan 0.000 0.435 121 T N 4.193 118.778 114.554 0.052 0.000 2.771 121 T HA 0.611 4.967 4.350 0.011 0.000 0.291 121 T C -0.092 174.621 174.700 0.022 0.000 0.954 121 T CA -0.355 61.775 62.100 0.050 0.000 1.045 121 T CB 1.119 69.991 68.868 0.007 0.000 0.917 121 T HN 0.567 nan 8.240 nan 0.000 0.484 122 V N 0.618 120.561 119.914 0.049 0.000 3.160 122 V HA 1.058 5.185 4.120 0.011 0.000 0.310 122 V C 0.489 176.508 176.094 -0.125 0.000 1.181 122 V CA -0.386 61.916 62.300 0.004 0.000 1.047 122 V CB 1.626 33.499 31.823 0.083 0.000 1.068 122 V HN 0.870 nan 8.190 nan 0.000 0.441 123 G N -1.060 107.620 108.800 -0.201 0.000 4.227 123 G HA2 0.124 4.091 3.960 0.011 0.000 0.200 123 G HA3 0.124 4.091 3.960 0.011 0.000 0.200 123 G C 0.041 174.950 174.900 0.015 0.000 0.920 123 G CA -0.219 44.633 45.100 -0.414 0.000 0.953 123 G HN 0.841 nan 8.290 nan 0.000 0.323 124 H N 1.419 120.425 119.070 -0.107 0.000 2.707 124 H HA 0.560 5.123 4.556 0.011 0.000 0.359 124 H C 0.748 176.032 175.328 -0.073 0.000 1.113 124 H CA -0.167 55.852 56.048 -0.049 0.000 1.422 124 H CB 1.606 31.357 29.762 -0.019 0.000 1.443 124 H HN 0.515 nan 8.280 nan 0.000 0.591 125 A N 1.496 124.302 122.820 -0.023 0.000 2.259 125 A HA 0.288 4.615 4.320 0.011 0.000 0.278 125 A C 0.942 178.519 177.584 -0.012 0.000 1.107 125 A CA 0.133 52.147 52.037 -0.039 0.000 0.828 125 A CB 0.222 19.152 19.000 -0.117 0.000 1.111 125 A HN 0.912 nan 8.150 nan 0.000 0.498 126 S N -2.029 113.670 115.700 -0.001 0.000 2.929 126 S HA -0.225 4.251 4.470 0.011 0.000 0.271 126 S C 0.992 175.595 174.600 0.005 0.000 1.295 126 S CA 1.842 60.040 58.200 -0.003 0.000 1.277 126 S CB -2.396 60.791 63.200 -0.023 0.000 1.557 126 S HN 1.967 nan 8.310 nan 0.000 0.666 127 T N -0.834 113.730 114.554 0.017 0.000 3.107 127 T HA 0.286 4.642 4.350 0.011 0.000 0.249 127 T C 1.643 176.349 174.700 0.010 0.000 1.096 127 T CA 0.879 62.986 62.100 0.013 0.000 1.012 127 T CB -0.012 68.865 68.868 0.015 0.000 0.977 127 T HN 0.685 nan 8.240 nan 0.000 0.527 128 S N 2.008 117.716 115.700 0.013 0.000 2.362 128 S HA 0.079 4.556 4.470 0.011 0.000 0.221 128 S C 2.005 176.597 174.600 -0.013 0.000 1.032 128 S CA 0.323 58.526 58.200 0.006 0.000 0.973 128 S CB -0.916 62.291 63.200 0.012 0.000 0.849 128 S HN 0.466 nan 8.310 nan 0.000 0.465 129 L N 1.419 122.630 121.223 -0.020 0.000 2.042 129 L HA -0.116 4.231 4.340 0.011 0.000 0.210 129 L C 3.208 180.064 176.870 -0.024 0.000 1.076 129 L CA 1.877 56.697 54.840 -0.032 0.000 0.749 129 L CB -1.326 40.709 42.059 -0.040 0.000 0.893 129 L HN 0.512 nan 8.230 nan 0.000 0.432 130 T N -0.996 113.548 114.554 -0.016 0.000 2.857 130 T HA -0.131 4.226 4.350 0.011 0.000 0.266 130 T C 1.540 176.235 174.700 -0.008 0.000 1.048 130 T CA 1.808 63.900 62.100 -0.013 0.000 1.139 130 T CB -0.187 68.674 68.868 -0.011 0.000 0.874 130 T HN 0.372 nan 8.240 nan 0.000 0.455 131 N N 0.367 119.064 118.700 -0.005 0.000 2.216 131 N HA 0.118 4.865 4.740 0.011 0.000 0.183 131 N C 2.193 177.707 175.510 0.006 0.000 1.017 131 N CA 0.932 53.983 53.050 0.001 0.000 0.861 131 N CB -0.205 38.285 38.487 0.004 0.000 0.986 131 N HN 0.463 nan 8.380 nan 0.000 0.428 132 A N 0.927 123.745 122.820 -0.003 0.000 1.902 132 A HA -0.118 4.208 4.320 0.011 0.000 0.217 132 A C 2.087 179.672 177.584 0.002 0.000 1.181 132 A CA 0.996 53.032 52.037 -0.000 0.000 0.623 132 A CB -0.714 18.273 19.000 -0.021 0.000 0.818 132 A HN 0.299 nan 8.150 nan 0.000 0.443 133 L N 0.240 121.458 121.223 -0.010 0.000 2.017 133 L HA -0.033 4.314 4.340 0.011 0.000 0.208 133 L C 2.344 179.212 176.870 -0.005 0.000 1.073 133 L CA 2.533 57.365 54.840 -0.013 0.000 0.745 133 L CB -1.194 40.854 42.059 -0.018 0.000 0.894 133 L HN 0.280 nan 8.230 nan 0.000 0.432 134 G N -0.457 108.344 108.800 0.002 0.000 2.459 134 G HA2 -0.329 3.638 3.960 0.011 0.000 0.217 134 G HA3 -0.329 3.638 3.960 0.011 0.000 0.217 134 G C 1.564 176.480 174.900 0.028 0.000 1.183 134 G CA 1.255 46.361 45.100 0.010 0.000 0.776 134 G HN 0.454 nan 8.290 nan 0.000 0.552 135 M N 0.765 120.394 119.600 0.048 0.000 2.108 135 M HA -0.039 4.447 4.480 0.011 0.000 0.261 135 M C 3.047 179.404 176.300 0.095 0.000 1.066 135 M CA 1.438 56.801 55.300 0.105 0.000 1.107 135 M CB -0.254 32.428 32.600 0.136 0.000 1.356 135 M HN 0.331 nan 8.290 nan 0.000 0.406 136 A N 0.474 123.311 122.820 0.029 0.000 1.877 136 A HA -0.129 4.198 4.320 0.011 0.000 0.216 136 A C 2.095 179.640 177.584 -0.064 0.000 1.186 136 A CA 1.411 53.421 52.037 -0.046 0.000 0.620 136 A CB -0.922 18.050 19.000 -0.046 0.000 0.822 136 A HN 0.455 nan 8.150 nan 0.000 0.443 137 L N -0.926 120.279 121.223 -0.030 0.000 2.046 137 L HA -0.183 4.164 4.340 0.011 0.000 0.208 137 L C 3.104 179.959 176.870 -0.024 0.000 1.077 137 L CA 1.019 55.841 54.840 -0.031 0.000 0.747 137 L CB -0.578 41.471 42.059 -0.018 0.000 0.896 137 L HN 0.460 nan 8.230 nan 0.000 0.432 138 A N 0.114 122.936 122.820 0.003 0.000 1.841 138 A HA -0.219 4.107 4.320 0.011 0.000 0.214 138 A C 2.451 180.045 177.584 0.016 0.000 1.195 138 A CA 1.514 53.565 52.037 0.024 0.000 0.611 138 A CB -0.647 18.388 19.000 0.059 0.000 0.835 138 A HN 0.309 nan 8.150 nan 0.000 0.443 139 R N 0.172 120.680 120.500 0.014 0.000 2.136 139 R HA -0.259 4.088 4.340 0.011 0.000 0.242 139 R C 1.476 177.676 176.300 -0.165 0.000 1.131 139 R CA 2.609 58.630 56.100 -0.131 0.000 0.937 139 R CB -1.027 28.900 30.300 -0.622 0.000 0.863 139 R HN 0.464 nan 8.270 nan 0.000 0.435 140 D N 0.253 120.557 120.400 -0.160 0.000 2.092 140 D HA -0.141 4.506 4.640 0.011 0.000 0.193 140 D C 1.895 178.150 176.300 -0.075 0.000 0.994 140 D CA 1.985 55.911 54.000 -0.123 0.000 0.828 140 D CB -0.579 40.160 40.800 -0.102 0.000 0.963 140 D HN 0.439 nan 8.370 nan 0.000 0.450 141 A N 0.966 123.757 122.820 -0.049 0.000 1.903 141 A HA -0.289 4.037 4.320 0.011 0.000 0.219 141 A C 2.014 179.586 177.584 -0.021 0.000 1.191 141 A CA 2.020 54.040 52.037 -0.028 0.000 0.638 141 A CB -0.814 18.178 19.000 -0.014 0.000 0.823 141 A HN 0.361 nan 8.150 nan 0.000 0.451 142 Q N -1.640 118.152 119.800 -0.013 0.000 2.436 142 Q HA 0.196 4.543 4.340 0.011 0.000 0.209 142 Q C 1.071 177.064 176.000 -0.011 0.000 0.965 142 Q CA 0.488 56.293 55.803 0.003 0.000 0.910 142 Q CB -0.200 28.561 28.738 0.038 0.000 0.980 142 Q HN 1.075 nan 8.270 nan 0.000 0.491 143 G N 1.655 110.432 108.800 -0.038 0.000 2.204 143 G HA2 -0.238 3.728 3.960 0.011 0.000 0.244 143 G HA3 -0.238 3.728 3.960 0.011 0.000 0.244 143 G C -0.338 174.527 174.900 -0.057 0.000 1.062 143 G CA 0.053 45.125 45.100 -0.047 0.000 0.798 143 G HN 0.186 nan 8.290 nan 0.000 0.496 144 K N -0.128 120.214 120.400 -0.095 0.000 2.258 144 K HA 0.620 4.947 4.320 0.011 0.000 0.236 144 K C -0.775 175.683 176.600 -0.238 0.000 1.008 144 K CA -0.523 55.700 56.287 -0.106 0.000 0.869 144 K CB 1.338 33.833 32.500 -0.009 0.000 1.171 144 K HN 0.215 nan 8.250 nan 0.000 0.447 145 D N 0.998 121.271 120.400 -0.213 0.000 2.552 145 D HA 0.179 4.825 4.640 0.011 0.000 0.285 145 D C -0.782 175.343 176.300 -0.291 0.000 1.206 145 D CA -0.526 53.298 54.000 -0.293 0.000 0.826 145 D CB -0.519 40.167 40.800 -0.191 0.000 1.179 145 D HN 0.328 nan 8.370 nan 0.000 0.508 146 F N -1.030 118.799 119.950 -0.202 0.000 2.523 146 F HA 0.704 5.237 4.527 0.011 0.000 0.329 146 F C 0.081 175.714 175.800 -0.278 0.000 1.061 146 F CA -1.460 56.396 58.000 -0.241 0.000 0.967 146 F CB 0.777 39.718 39.000 -0.097 0.000 1.218 146 F HN -0.140 nan 8.300 nan 0.000 0.480 147 H N 0.089 119.296 119.070 0.229 0.000 2.582 147 H HA 0.568 5.131 4.556 0.011 0.000 0.345 147 H C -0.734 174.713 175.328 0.199 0.000 1.104 147 H CA -0.590 55.528 56.048 0.115 0.000 1.390 147 H CB 1.394 31.187 29.762 0.051 0.000 1.461 147 H HN 0.532 nan 8.280 nan 0.000 0.551 148 V N 2.161 122.197 119.914 0.203 0.000 2.378 148 V HA 0.616 4.743 4.120 0.011 0.000 0.288 148 V C -0.265 175.858 176.094 0.049 0.000 1.016 148 V CA -0.668 61.716 62.300 0.140 0.000 0.840 148 V CB 1.138 33.026 31.823 0.109 0.000 0.994 148 V HN 0.954 nan 8.190 nan 0.000 0.431 149 A N 4.117 126.932 122.820 -0.008 0.000 2.356 149 A HA 0.967 5.293 4.320 0.011 0.000 0.310 149 A C -0.243 177.254 177.584 -0.145 0.000 1.075 149 A CA -0.363 51.627 52.037 -0.078 0.000 0.746 149 A CB 1.664 20.602 19.000 -0.103 0.000 1.221 149 A HN 1.250 nan 8.150 nan 0.000 0.443 150 A N 1.542 124.279 122.820 -0.140 0.000 2.337 150 A HA 0.691 5.018 4.320 0.011 0.000 0.329 150 A C -0.745 176.732 177.584 -0.179 0.000 1.146 150 A CA -0.472 51.466 52.037 -0.166 0.000 0.800 150 A CB 1.143 20.083 19.000 -0.099 0.000 1.220 150 A HN 1.139 nan 8.150 nan 0.000 0.472 151 V N 3.552 123.329 119.914 -0.227 0.000 2.328 151 V HA 0.405 4.532 4.120 0.011 0.000 0.278 151 V C -0.340 175.759 176.094 0.008 0.000 1.021 151 V CA -0.112 62.122 62.300 -0.110 0.000 0.838 151 V CB 0.831 32.589 31.823 -0.108 0.000 0.999 151 V HN 0.748 nan 8.190 nan 0.000 0.447 152 I N 3.929 124.509 120.570 0.016 0.000 2.436 152 I HA 0.762 4.939 4.170 0.011 0.000 0.289 152 I C 0.860 177.016 176.117 0.067 0.000 1.010 152 I CA -0.136 61.192 61.300 0.046 0.000 1.098 152 I CB 1.485 39.492 38.000 0.013 0.000 1.266 152 I HN 0.681 nan 8.210 nan 0.000 0.434 153 G N 4.479 113.339 108.800 0.100 0.000 2.651 153 G HA2 0.056 4.022 3.960 0.011 0.000 0.260 153 G HA3 0.056 4.022 3.960 0.011 0.000 0.260 153 G C 0.618 175.571 174.900 0.088 0.000 1.216 153 G CA 0.174 45.338 45.100 0.107 0.000 0.913 153 G HN 0.782 nan 8.290 nan 0.000 0.535 154 D N -0.828 119.628 120.400 0.093 0.000 2.213 154 D HA -0.046 4.600 4.640 0.011 0.000 0.205 154 D C 2.169 178.508 176.300 0.066 0.000 0.961 154 D CA 0.999 55.049 54.000 0.083 0.000 0.853 154 D CB -0.688 40.171 40.800 0.098 0.000 0.967 154 D HN 0.478 nan 8.370 nan 0.000 0.496 155 G N 0.599 109.436 108.800 0.061 0.000 2.422 155 G HA2 -0.240 3.726 3.960 0.011 0.000 0.218 155 G HA3 -0.240 3.726 3.960 0.011 0.000 0.218 155 G C 1.851 176.757 174.900 0.010 0.000 1.146 155 G CA 0.890 46.008 45.100 0.029 0.000 0.769 155 G HN 0.313 nan 8.290 nan 0.000 0.547 156 S N 0.023 115.738 115.700 0.025 0.000 2.370 156 S HA -0.103 4.374 4.470 0.011 0.000 0.226 156 S C 2.147 176.752 174.600 0.009 0.000 1.033 156 S CA 1.024 59.231 58.200 0.010 0.000 1.011 156 S CB -0.261 62.964 63.200 0.041 0.000 0.852 156 S HN 0.251 nan 8.310 nan 0.000 0.457 157 L N 1.784 123.024 121.223 0.029 0.000 2.349 157 L HA -0.070 4.277 4.340 0.011 0.000 0.220 157 L C 1.969 178.859 176.870 0.034 0.000 1.130 157 L CA 1.496 56.359 54.840 0.039 0.000 0.791 157 L CB -1.028 41.075 42.059 0.073 0.000 0.918 157 L HN 0.230 nan 8.230 nan 0.000 0.444 158 T N -0.541 114.023 114.554 0.017 0.000 3.007 158 T HA 0.007 4.364 4.350 0.011 0.000 0.270 158 T C 0.991 175.685 174.700 -0.010 0.000 1.107 158 T CA 0.735 62.837 62.100 0.005 0.000 1.118 158 T CB -0.640 68.224 68.868 -0.008 0.000 0.889 158 T HN 0.538 nan 8.240 nan 0.000 0.506 159 G N 0.100 108.890 108.800 -0.016 0.000 2.370 159 G HA2 0.449 4.416 3.960 0.011 0.000 0.272 159 G HA3 0.449 4.416 3.960 0.011 0.000 0.272 159 G C 1.160 176.050 174.900 -0.016 0.000 1.208 159 G CA -0.247 44.837 45.100 -0.028 0.000 0.856 159 G HN 0.234 nan 8.290 nan 0.000 0.500 160 G N 2.153 110.941 108.800 -0.020 0.000 2.485 160 G HA2 -0.316 3.650 3.960 0.011 0.000 0.221 160 G HA3 -0.316 3.650 3.960 0.011 0.000 0.221 160 G C 1.515 176.408 174.900 -0.012 0.000 1.115 160 G CA 1.186 46.277 45.100 -0.014 0.000 0.751 160 G HN 0.619 nan 8.290 nan 0.000 0.567 161 M N 0.397 119.988 119.600 -0.015 0.000 2.349 161 M HA 0.309 4.796 4.480 0.011 0.000 0.266 161 M C 2.531 178.824 176.300 -0.011 0.000 1.076 161 M CA 1.342 56.634 55.300 -0.012 0.000 1.126 161 M CB 0.095 32.688 32.600 -0.012 0.000 1.392 161 M HN 0.226 nan 8.290 nan 0.000 0.440 162 A N 0.590 123.404 122.820 -0.009 0.000 1.935 162 A HA 0.060 4.386 4.320 0.011 0.000 0.214 162 A C 1.919 179.501 177.584 -0.004 0.000 1.178 162 A CA 0.707 52.738 52.037 -0.010 0.000 0.640 162 A CB -0.631 18.366 19.000 -0.006 0.000 0.825 162 A HN 0.544 nan 8.150 nan 0.000 0.447 163 L N -0.577 120.650 121.223 0.007 0.000 2.056 163 L HA -0.162 4.185 4.340 0.011 0.000 0.207 163 L C 3.086 179.961 176.870 0.010 0.000 1.078 163 L CA 1.098 55.950 54.840 0.020 0.000 0.749 163 L CB -0.536 41.536 42.059 0.022 0.000 0.901 163 L HN 0.421 nan 8.230 nan 0.000 0.433 164 A N 0.063 122.882 122.820 -0.001 0.000 1.902 164 A HA -0.165 4.162 4.320 0.011 0.000 0.217 164 A C 2.541 180.119 177.584 -0.009 0.000 1.181 164 A CA 1.694 53.727 52.037 -0.006 0.000 0.623 164 A CB -0.691 18.303 19.000 -0.010 0.000 0.818 164 A HN 0.400 nan 8.150 nan 0.000 0.443 165 A N -0.050 122.762 122.820 -0.013 0.000 1.883 165 A HA -0.105 4.221 4.320 0.011 0.000 0.217 165 A C 2.158 179.726 177.584 -0.026 0.000 1.186 165 A CA 1.555 53.580 52.037 -0.020 0.000 0.624 165 A CB -0.729 18.258 19.000 -0.023 0.000 0.822 165 A HN 0.481 nan 8.150 nan 0.000 0.444 166 L N -0.506 120.698 121.223 -0.032 0.000 2.043 166 L HA -0.279 4.067 4.340 0.011 0.000 0.212 166 L C 2.544 179.404 176.870 -0.017 0.000 1.075 166 L CA 1.787 56.602 54.840 -0.042 0.000 0.752 166 L CB -0.654 41.380 42.059 -0.042 0.000 0.891 166 L HN 0.484 nan 8.230 nan 0.000 0.432 167 N N -0.579 118.119 118.700 -0.003 0.000 2.120 167 N HA -0.156 4.591 4.740 0.011 0.000 0.188 167 N C 1.702 177.208 175.510 -0.007 0.000 1.024 167 N CA 1.938 54.989 53.050 0.001 0.000 0.852 167 N CB -0.076 38.411 38.487 0.001 0.000 1.003 167 N HN 0.182 nan 8.380 nan 0.000 0.424 168 T N 0.160 114.707 114.554 -0.012 0.000 2.896 168 T HA 0.082 4.439 4.350 0.011 0.000 0.263 168 T C 1.978 176.667 174.700 -0.018 0.000 1.050 168 T CA 0.487 62.578 62.100 -0.014 0.000 1.140 168 T CB -0.072 68.787 68.868 -0.015 0.000 0.877 168 T HN 0.175 nan 8.240 nan 0.000 0.457 169 I N 1.359 121.915 120.570 -0.023 0.000 2.286 169 I HA -0.104 4.072 4.170 0.011 0.000 0.248 169 I C 2.699 178.800 176.117 -0.025 0.000 1.115 169 I CA 1.217 62.499 61.300 -0.030 0.000 1.392 169 I CB -0.327 37.647 38.000 -0.044 0.000 1.065 169 I HN 0.316 nan 8.210 nan 0.000 0.418 170 G N -0.661 108.127 108.800 -0.019 0.000 2.511 170 G HA2 -0.227 3.739 3.960 0.011 0.000 0.217 170 G HA3 -0.227 3.739 3.960 0.011 0.000 0.217 170 G C 1.287 176.184 174.900 -0.006 0.000 1.133 170 G CA 0.627 45.722 45.100 -0.008 0.000 0.792 170 G HN 0.294 nan 8.290 nan 0.000 0.539 171 D N -0.038 120.357 120.400 -0.009 0.000 2.162 171 D HA -0.026 4.620 4.640 0.011 0.000 0.205 171 D C 2.466 178.758 176.300 -0.012 0.000 0.964 171 D CA 0.474 54.468 54.000 -0.009 0.000 0.847 171 D CB 0.032 40.826 40.800 -0.009 0.000 0.988 171 D HN 0.067 nan 8.370 nan 0.000 0.480 172 M N -0.185 119.405 119.600 -0.016 0.000 2.200 172 M HA 0.179 4.665 4.480 0.011 0.000 0.265 172 M C 1.708 177.995 176.300 -0.022 0.000 1.066 172 M CA 1.302 56.590 55.300 -0.020 0.000 1.127 172 M CB -1.325 31.261 32.600 -0.024 0.000 1.379 172 M HN 0.226 nan 8.290 nan 0.000 0.420 173 G N 1.931 110.718 108.800 -0.021 0.000 2.225 173 G HA2 -0.216 3.751 3.960 0.011 0.000 0.264 173 G HA3 -0.216 3.751 3.960 0.011 0.000 0.264 173 G C -0.157 174.727 174.900 -0.028 0.000 1.060 173 G CA -0.068 45.020 45.100 -0.020 0.000 0.833 173 G HN 0.323 nan 8.290 nan 0.000 0.498 174 R N 0.025 120.504 120.500 -0.035 0.000 2.536 174 R HA 0.429 4.776 4.340 0.011 0.000 0.279 174 R C 0.705 176.976 176.300 -0.048 0.000 1.001 174 R CA -0.934 55.137 56.100 -0.047 0.000 1.027 174 R CB 0.609 30.875 30.300 -0.057 0.000 1.096 174 R HN 0.358 nan 8.270 nan 0.000 0.502 175 K N 2.057 122.423 120.400 -0.057 0.000 2.504 175 K HA -0.004 4.322 4.320 0.011 0.000 0.278 175 K C -0.019 176.557 176.600 -0.040 0.000 1.025 175 K CA 1.064 57.323 56.287 -0.046 0.000 1.093 175 K CB 0.172 32.635 32.500 -0.063 0.000 0.873 175 K HN 0.426 nan 8.250 nan 0.000 0.483 176 M N 3.182 122.770 119.600 -0.021 0.000 2.415 176 M HA 0.127 4.613 4.480 0.011 0.000 0.292 176 M C -1.935 174.350 176.300 -0.025 0.000 1.107 176 M CA -0.740 54.548 55.300 -0.020 0.000 0.927 176 M CB 1.522 34.101 32.600 -0.034 0.000 1.808 176 M HN 0.399 nan 8.290 nan 0.000 0.509 177 L N 4.587 125.793 121.223 -0.028 0.000 2.313 177 L HA 0.751 5.097 4.340 0.011 0.000 0.283 177 L C -1.675 175.154 176.870 -0.069 0.000 1.013 177 L CA -0.096 54.714 54.840 -0.049 0.000 0.816 177 L CB 1.349 43.377 42.059 -0.053 0.000 1.236 177 L HN 0.668 nan 8.230 nan 0.000 0.419 178 I N 5.850 126.370 120.570 -0.082 0.000 2.410 178 I HA 0.354 4.531 4.170 0.011 0.000 0.286 178 I C -0.798 175.265 176.117 -0.089 0.000 1.009 178 I CA -0.757 60.485 61.300 -0.096 0.000 1.111 178 I CB 1.907 39.834 38.000 -0.123 0.000 1.262 178 I HN 0.266 nan 8.210 nan 0.000 0.443 179 V N 7.148 127.017 119.914 -0.076 0.000 2.383 179 V HA 0.201 4.327 4.120 0.011 0.000 0.275 179 V C -0.026 176.055 176.094 -0.021 0.000 1.036 179 V CA -0.607 61.666 62.300 -0.045 0.000 0.889 179 V CB 1.481 33.279 31.823 -0.041 0.000 0.985 179 V HN 0.406 nan 8.190 nan 0.000 0.459 180 L N 5.628 126.854 121.223 0.005 0.000 2.295 180 L HA 0.401 4.747 4.340 0.011 0.000 0.288 180 L C 0.441 177.373 176.870 0.104 0.000 1.079 180 L CA 0.234 55.097 54.840 0.039 0.000 0.830 180 L CB 0.406 42.472 42.059 0.012 0.000 1.200 180 L HN 0.644 nan 8.230 nan 0.000 0.438 181 N N 3.255 122.006 118.700 0.085 0.000 2.739 181 N HA 0.036 4.783 4.740 0.011 0.000 0.266 181 N C -1.005 174.574 175.510 0.116 0.000 1.168 181 N CA -0.194 52.912 53.050 0.094 0.000 1.055 181 N CB -0.074 38.462 38.487 0.082 0.000 1.393 181 N HN 0.557 nan 8.380 nan 0.000 0.514 182 D N 1.504 122.003 120.400 0.166 0.000 2.456 182 D HA 0.112 4.758 4.640 0.011 0.000 0.219 182 D C 0.342 176.724 176.300 0.136 0.000 1.126 182 D CA -0.351 53.764 54.000 0.191 0.000 0.890 182 D CB -0.159 40.867 40.800 0.377 0.000 1.025 182 D HN 0.656 nan 8.370 nan 0.000 0.511 183 N N 2.704 121.471 118.700 0.112 0.000 2.238 183 N HA -0.017 4.729 4.740 0.011 0.000 0.222 183 N C -0.201 175.369 175.510 0.100 0.000 1.133 183 N CA -0.278 52.830 53.050 0.097 0.000 0.854 183 N CB -0.008 38.539 38.487 0.101 0.000 1.041 183 N HN 0.469 nan 8.380 nan 0.000 0.510 184 E N -0.210 120.054 120.200 0.107 0.000 2.551 184 E HA -0.256 4.101 4.350 0.011 0.000 0.251 184 E C -0.780 175.874 176.600 0.089 0.000 1.210 184 E CA 0.828 57.286 56.400 0.097 0.000 0.725 184 E CB -1.193 28.562 29.700 0.090 0.000 1.290 184 E HN 0.431 nan 8.360 nan 0.000 0.413 185 M N 0.545 120.203 119.600 0.096 0.000 2.456 185 M HA 0.405 4.892 4.480 0.011 0.000 0.324 185 M C 0.611 176.962 176.300 0.084 0.000 1.124 185 M CA -0.691 54.664 55.300 0.092 0.000 0.959 185 M CB 1.694 34.361 32.600 0.111 0.000 1.692 185 M HN 0.109 nan 8.290 nan 0.000 0.444 186 S N 1.506 117.236 115.700 0.050 0.000 3.320 186 S HA 0.489 4.966 4.470 0.011 0.000 0.185 186 S C 1.388 175.960 174.600 -0.048 0.000 1.028 186 S CA -0.215 57.991 58.200 0.011 0.000 1.641 186 S CB 0.363 63.552 63.200 -0.018 0.000 0.630 186 S HN 0.657 nan 8.310 nan 0.000 0.555 187 I N 0.150 120.626 120.570 -0.157 0.000 2.512 187 I HA 0.088 4.264 4.170 0.011 0.000 0.247 187 I C 1.559 177.605 176.117 -0.120 0.000 1.094 187 I CA 0.229 61.328 61.300 -0.335 0.000 1.427 187 I CB -0.413 37.326 38.000 -0.434 0.000 1.149 187 I HN 0.295 nan 8.210 nan 0.000 0.438 188 S N 0.285 115.956 115.700 -0.049 0.000 2.625 188 S HA 0.056 4.532 4.470 0.011 0.000 0.258 188 S C -0.052 174.572 174.600 0.041 0.000 1.256 188 S CA -0.445 57.769 58.200 0.022 0.000 0.983 188 S CB 0.318 63.550 63.200 0.053 0.000 1.032 188 S HN 0.134 nan 8.310 nan 0.000 0.572 189 E N 1.903 122.142 120.200 0.065 0.000 2.414 189 E HA 0.065 4.421 4.350 0.011 0.000 0.263 189 E C 0.201 176.840 176.600 0.065 0.000 1.000 189 E CA 0.210 56.652 56.400 0.070 0.000 0.914 189 E CB 0.071 29.817 29.700 0.077 0.000 0.948 189 E HN 0.450 nan 8.360 nan 0.000 0.444 190 N N 1.566 120.303 118.700 0.062 0.000 2.454 190 N HA 0.070 4.817 4.740 0.011 0.000 0.254 190 N C -0.609 174.936 175.510 0.059 0.000 1.228 190 N CA -0.435 52.648 53.050 0.055 0.000 0.900 190 N CB 0.552 39.075 38.487 0.060 0.000 1.089 190 N HN 0.229 nan 8.380 nan 0.000 0.449 191 V N 0.546 120.489 119.914 0.049 0.000 2.713 191 V HA 0.756 4.882 4.120 0.011 0.000 0.307 191 V C 0.952 177.072 176.094 0.042 0.000 1.052 191 V CA -0.723 61.607 62.300 0.050 0.000 0.967 191 V CB 1.202 33.053 31.823 0.047 0.000 1.019 191 V HN 0.736 nan 8.190 nan 0.000 0.459 192 G N 0.240 109.066 108.800 0.045 0.000 3.075 192 G HA2 0.664 4.631 3.960 0.011 0.000 0.156 192 G HA3 0.664 4.631 3.960 0.011 0.000 0.156 192 G C 0.759 175.679 174.900 0.034 0.000 1.403 192 G CA 0.005 45.133 45.100 0.047 0.000 1.033 192 G HN 2.035 nan 8.290 nan 0.000 0.589 193 A N -1.093 121.749 122.820 0.037 0.000 1.315 193 A HA -0.363 3.963 4.320 0.011 0.000 0.333 193 A C 2.070 179.675 177.584 0.036 0.000 1.730 193 A CA 2.826 54.876 52.037 0.021 0.000 1.091 193 A CB -1.648 17.344 19.000 -0.014 0.000 1.471 193 A HN 0.904 nan 8.150 nan 0.000 0.722 194 M N -0.553 119.055 119.600 0.013 0.000 2.229 194 M HA -0.103 4.383 4.480 0.011 0.000 0.264 194 M C 1.754 178.110 176.300 0.093 0.000 1.063 194 M CA 2.431 57.745 55.300 0.023 0.000 1.114 194 M CB -0.243 32.355 32.600 -0.003 0.000 1.387 194 M HN 0.775 nan 8.290 nan 0.000 0.420 195 N N -0.163 118.586 118.700 0.082 0.000 2.171 195 N HA -0.151 4.596 4.740 0.011 0.000 0.184 195 N C 1.489 177.060 175.510 0.102 0.000 1.021 195 N CA 1.250 54.355 53.050 0.093 0.000 0.854 195 N CB 0.111 38.643 38.487 0.076 0.000 0.994 195 N HN -0.002 nan 8.380 nan 0.000 0.426 196 K N -0.237 120.223 120.400 0.100 0.000 2.044 196 K HA -0.116 4.210 4.320 0.011 0.000 0.210 196 K C 1.675 178.350 176.600 0.125 0.000 1.049 196 K CA 1.203 57.550 56.287 0.100 0.000 0.927 196 K CB -0.690 31.868 32.500 0.096 0.000 0.713 196 K HN 0.206 nan 8.250 nan 0.000 0.443 197 F N 0.555 120.498 119.950 -0.012 0.000 2.051 197 F HA -0.069 4.464 4.527 0.010 0.000 0.296 197 F C 0.955 176.752 175.800 -0.006 0.000 1.122 197 F CA 1.291 59.274 58.000 -0.028 0.000 1.201 197 F CB -0.100 38.857 39.000 -0.073 0.000 0.978 197 F HN -0.074 nan 8.300 nan 0.000 0.472 245 V N 2.479 122.409 119.914 0.028 0.000 2.925 245 V HA 0.564 4.690 4.120 0.011 0.000 0.311 245 V C -0.550 175.510 176.094 -0.057 0.000 1.104 245 V CA -0.869 61.439 62.300 0.013 0.000 0.954 245 V CB 1.997 33.838 31.823 0.030 0.000 1.022 245 V HN 0.579 nan 8.190 nan 0.000 0.427 246 N N 3.687 122.335 118.700 -0.087 0.000 2.426 246 N HA 0.286 5.032 4.740 0.011 0.000 0.257 246 N C -2.049 173.288 175.510 -0.288 0.000 1.002 246 N CA -1.528 51.358 53.050 -0.273 0.000 0.942 246 N CB 2.385 40.849 38.487 -0.039 0.000 1.112 246 N HN 0.331 nan 8.380 nan 0.000 0.499 247 P HA 0.016 nan 4.420 nan 0.000 0.226 247 P C -0.178 176.724 177.300 -0.663 0.000 1.153 247 P CA 0.971 63.757 63.100 -0.523 0.000 0.777 247 P CB 0.008 31.327 31.700 -0.636 0.000 0.794 248 F N -1.762 118.097 119.950 -0.152 0.000 2.668 248 F HA 0.422 4.955 4.527 0.010 0.000 0.301 248 F C 2.017 177.790 175.800 -0.044 0.000 1.106 248 F CA -0.376 57.584 58.000 -0.067 0.000 1.289 248 F CB -0.536 38.467 39.000 0.005 0.000 1.006 248 F HN -0.152 nan 8.300 nan 0.000 0.535 249 A N 0.820 123.664 122.820 0.041 0.000 1.927 249 A HA -0.226 4.101 4.320 0.011 0.000 0.220 249 A C 2.373 179.979 177.584 0.036 0.000 1.185 249 A CA 2.041 54.099 52.037 0.036 0.000 0.639 249 A CB -0.963 18.033 19.000 -0.007 0.000 0.820 249 A HN 0.348 nan 8.150 nan 0.000 0.451 250 A N -1.786 121.041 122.820 0.011 0.000 2.239 250 A HA 0.293 4.620 4.320 0.011 0.000 0.209 250 A C 1.552 179.152 177.584 0.026 0.000 1.171 250 A CA 1.113 53.152 52.037 0.004 0.000 0.768 250 A CB -0.475 18.509 19.000 -0.027 0.000 0.790 250 A HN 0.530 nan 8.150 nan 0.000 0.478 251 M N -1.557 118.078 119.600 0.059 0.000 2.504 251 M HA 0.224 4.710 4.480 0.011 0.000 0.370 251 M C 0.986 177.315 176.300 0.048 0.000 1.110 251 M CA 0.446 55.780 55.300 0.057 0.000 0.938 251 M CB 0.811 33.462 32.600 0.084 0.000 1.460 251 M HN 0.487 nan 8.290 nan 0.000 0.535 252 G N 1.756 110.586 108.800 0.049 0.000 2.283 252 G HA2 -0.205 3.761 3.960 0.011 0.000 0.280 252 G HA3 -0.205 3.761 3.960 0.011 0.000 0.280 252 G C -0.258 174.667 174.900 0.042 0.000 1.029 252 G CA 0.125 45.249 45.100 0.040 0.000 0.840 252 G HN 0.383 nan 8.290 nan 0.000 0.505 253 V N 0.091 120.044 119.914 0.066 0.000 2.459 253 V HA 0.472 4.598 4.120 0.011 0.000 0.295 253 V C 1.038 177.196 176.094 0.107 0.000 1.029 253 V CA -1.104 61.227 62.300 0.052 0.000 0.874 253 V CB 1.680 33.501 31.823 -0.003 0.000 0.985 253 V HN 0.550 nan 8.190 nan 0.000 0.438 254 R N 2.696 123.247 120.500 0.084 0.000 2.698 254 R HA 0.082 4.428 4.340 0.011 0.000 0.266 254 R C -1.358 175.060 176.300 0.196 0.000 1.026 254 R CA 0.152 56.322 56.100 0.118 0.000 1.102 254 R CB 0.290 30.628 30.300 0.063 0.000 0.978 254 R HN 0.739 nan 8.270 nan 0.000 0.436 255 Y N 3.681 124.037 120.300 0.093 0.000 2.346 255 Y HA 0.386 4.942 4.550 0.010 0.000 0.332 255 Y C -1.521 174.451 175.900 0.120 0.000 0.985 255 Y CA -0.755 57.428 58.100 0.138 0.000 1.112 255 Y CB 1.451 40.043 38.460 0.220 0.000 1.170 255 Y HN 0.244 nan 8.280 nan 0.000 0.447 256 V N 6.536 126.230 119.914 -0.366 0.000 2.487 256 V HA 0.943 5.070 4.120 0.011 0.000 0.298 256 V C 0.251 176.087 176.094 -0.431 0.000 1.028 256 V CA 0.112 62.255 62.300 -0.261 0.000 0.860 256 V CB 0.754 32.519 31.823 -0.097 0.000 0.991 256 V HN 1.181 nan 8.190 nan 0.000 0.427 257 G N 6.173 114.817 108.800 -0.260 0.000 2.298 257 G HA2 0.103 4.070 3.960 0.011 0.000 0.309 257 G HA3 0.103 4.070 3.960 0.011 0.000 0.309 257 G C -3.372 171.523 174.900 -0.009 0.000 1.279 257 G CA -0.785 44.207 45.100 -0.180 0.000 1.042 257 G HN 0.619 nan 8.290 nan 0.000 0.480 258 P HA 0.623 nan 4.420 nan 0.000 0.275 258 P C -0.579 176.609 177.300 -0.187 0.000 1.228 258 P CA -0.486 62.438 63.100 -0.293 0.000 0.786 258 P CB 1.636 33.055 31.700 -0.469 0.000 0.927 259 V N 1.470 121.272 119.914 -0.186 0.000 2.914 259 V HA 0.233 4.359 4.120 0.011 0.000 0.314 259 V C -0.343 175.679 176.094 -0.119 0.000 1.084 259 V CA -0.711 61.521 62.300 -0.113 0.000 0.963 259 V CB 2.141 33.922 31.823 -0.070 0.000 1.025 259 V HN 0.581 nan 8.190 nan 0.000 0.432 260 D N 2.526 122.870 120.400 -0.093 0.000 2.434 260 D HA 0.156 4.802 4.640 0.011 0.000 0.252 260 D C 0.996 177.227 176.300 -0.115 0.000 1.185 260 D CA 0.753 54.693 54.000 -0.099 0.000 0.886 260 D CB 1.573 42.337 40.800 -0.060 0.000 1.148 260 D HN 0.666 nan 8.370 nan 0.000 0.483 261 G N 2.806 111.477 108.800 -0.216 0.000 3.189 261 G HA2 -0.071 3.895 3.960 0.011 0.000 0.225 261 G HA3 -0.071 3.895 3.960 0.011 0.000 0.225 261 G C 0.755 175.505 174.900 -0.250 0.000 1.159 261 G CA -0.095 44.862 45.100 -0.238 0.000 0.763 261 G HN 0.593 nan 8.290 nan 0.000 0.549 262 H N -0.622 118.446 119.070 -0.003 0.000 2.827 262 H HA 0.126 4.688 4.556 0.010 0.000 0.269 262 H C 0.455 175.776 175.328 -0.012 0.000 1.031 262 H CA -0.637 55.408 56.048 -0.006 0.000 1.202 262 H CB 0.316 30.071 29.762 -0.012 0.000 1.511 262 H HN 0.358 nan 8.280 nan 0.000 0.517 263 N N 2.004 120.747 118.700 0.070 0.000 2.549 263 N HA 0.018 4.764 4.740 0.011 0.000 0.267 263 N C 1.390 176.913 175.510 0.023 0.000 1.182 263 N CA -0.214 52.854 53.050 0.030 0.000 1.019 263 N CB 0.633 39.120 38.487 0.001 0.000 1.380 263 N HN -0.062 nan 8.380 nan 0.000 0.505 264 V N 3.520 123.448 119.914 0.023 0.000 2.332 264 V HA -0.265 3.862 4.120 0.011 0.000 0.248 264 V C 2.192 178.275 176.094 -0.019 0.000 1.055 264 V CA 1.831 64.135 62.300 0.006 0.000 1.038 264 V CB -0.291 31.528 31.823 -0.006 0.000 0.651 264 V HN 0.743 nan 8.190 nan 0.000 0.450 265 Q N -0.604 119.180 119.800 -0.028 0.000 2.077 265 Q HA -0.261 4.085 4.340 0.011 0.000 0.206 265 Q C 2.244 178.261 176.000 0.029 0.000 0.989 265 Q CA 2.104 57.891 55.803 -0.027 0.000 0.853 265 Q CB -0.301 28.418 28.738 -0.031 0.000 0.907 265 Q HN 0.677 nan 8.270 nan 0.000 0.418 266 E N 0.146 120.360 120.200 0.024 0.000 2.442 266 E HA -0.001 4.356 4.350 0.011 0.000 0.195 266 E C 1.876 178.549 176.600 0.121 0.000 1.030 266 E CA -0.042 56.388 56.400 0.051 0.000 0.869 266 E CB 0.268 29.950 29.700 -0.030 0.000 0.857 266 E HN 0.307 nan 8.360 nan 0.000 0.505 267 L N -0.389 120.884 121.223 0.082 0.000 2.249 267 L HA -0.057 4.289 4.340 0.011 0.000 0.207 267 L C 2.335 179.261 176.870 0.094 0.000 1.090 267 L CA 0.198 55.086 54.840 0.079 0.000 0.802 267 L CB 0.013 42.099 42.059 0.045 0.000 0.947 267 L HN -0.026 nan 8.230 nan 0.000 0.453 268 V N -0.731 119.236 119.914 0.089 0.000 2.261 268 V HA -0.324 3.802 4.120 0.011 0.000 0.246 268 V C 2.107 178.280 176.094 0.131 0.000 1.047 268 V CA 2.175 64.534 62.300 0.098 0.000 1.015 268 V CB -0.613 31.237 31.823 0.045 0.000 0.642 268 V HN 0.607 nan 8.190 nan 0.000 0.446 269 W N 0.367 121.665 121.300 -0.005 0.000 2.301 269 W HA -0.278 4.388 4.660 0.011 0.000 0.325 269 W C 2.281 178.797 176.519 -0.005 0.000 1.250 269 W CA 2.268 59.612 57.345 -0.001 0.000 1.261 269 W CB -0.449 29.005 29.460 -0.010 0.000 1.157 269 W HN 0.137 nan 8.180 nan 0.000 0.473 270 L N -0.174 121.232 121.223 0.305 0.000 1.989 270 L HA -0.296 4.051 4.340 0.011 0.000 0.211 270 L C 2.615 179.445 176.870 -0.067 0.000 1.071 270 L CA 1.678 56.593 54.840 0.124 0.000 0.749 270 L CB -1.104 41.059 42.059 0.174 0.000 0.890 270 L HN 0.072 nan 8.230 nan 0.000 0.431 271 L N -0.700 120.504 121.223 -0.031 0.000 2.042 271 L HA -0.262 4.084 4.340 0.011 0.000 0.210 271 L C 2.499 179.292 176.870 -0.128 0.000 1.076 271 L CA 1.336 56.134 54.840 -0.070 0.000 0.749 271 L CB -0.539 41.498 42.059 -0.038 0.000 0.893 271 L HN 0.312 nan 8.230 nan 0.000 0.432 272 E N -0.270 119.843 120.200 -0.145 0.000 2.160 272 E HA -0.225 4.132 4.350 0.011 0.000 0.195 272 E C 2.275 178.735 176.600 -0.232 0.000 0.991 272 E CA 1.067 57.358 56.400 -0.181 0.000 0.810 272 E CB 0.086 29.671 29.700 -0.191 0.000 0.742 272 E HN 0.421 nan 8.360 nan 0.000 0.466 273 R N -0.695 119.622 120.500 -0.306 0.000 2.237 273 R HA 0.046 4.393 4.340 0.011 0.000 0.195 273 R C 1.673 177.870 176.300 -0.172 0.000 0.956 273 R CA 0.128 56.053 56.100 -0.292 0.000 1.029 273 R CB 0.246 30.265 30.300 -0.468 0.000 0.972 273 R HN 0.064 nan 8.270 nan 0.000 0.493 274 L N -0.225 120.913 121.223 -0.142 0.000 2.307 274 L HA 0.032 4.379 4.340 0.011 0.000 0.211 274 L C 1.954 178.780 176.870 -0.075 0.000 1.099 274 L CA 1.017 55.803 54.840 -0.089 0.000 0.816 274 L CB -0.037 41.978 42.059 -0.073 0.000 0.952 274 L HN -0.085 nan 8.230 nan 0.000 0.455 275 V N -0.679 119.171 119.914 -0.106 0.000 3.041 275 V HA -0.116 4.011 4.120 0.011 0.000 0.260 275 V C 1.021 177.121 176.094 0.009 0.000 1.105 275 V CA 1.259 63.489 62.300 -0.117 0.000 1.125 275 V CB -0.216 31.418 31.823 -0.315 0.000 0.730 275 V HN 0.395 nan 8.190 nan 0.000 0.479 276 D N -0.300 120.103 120.400 0.005 0.000 2.368 276 D HA 0.229 4.876 4.640 0.011 0.000 0.218 276 D C 0.498 176.805 176.300 0.012 0.000 1.112 276 D CA 0.049 54.079 54.000 0.051 0.000 0.834 276 D CB 0.316 41.133 40.800 0.028 0.000 0.953 276 D HN 0.352 nan 8.370 nan 0.000 0.505 277 L N 0.903 122.125 121.223 -0.002 0.000 2.418 277 L HA 0.177 4.523 4.340 0.011 0.000 0.265 277 L C 0.368 177.234 176.870 -0.007 0.000 1.143 277 L CA -0.483 54.352 54.840 -0.009 0.000 0.809 277 L CB 0.653 42.704 42.059 -0.014 0.000 1.124 277 L HN -0.267 nan 8.230 nan 0.000 0.456 278 D N 0.929 121.323 120.400 -0.011 0.000 2.339 278 D HA 0.491 5.138 4.640 0.011 0.000 0.245 278 D C 0.481 176.773 176.300 -0.013 0.000 1.115 278 D CA 0.883 54.874 54.000 -0.015 0.000 0.917 278 D CB 1.102 41.892 40.800 -0.016 0.000 1.192 278 D HN 0.784 nan 8.370 nan 0.000 0.428 279 G N 1.194 109.983 108.800 -0.018 0.000 2.828 279 G HA2 -0.118 3.849 3.960 0.011 0.000 0.463 279 G HA3 -0.118 3.849 3.960 0.011 0.000 0.463 279 G C -2.802 172.088 174.900 -0.018 0.000 1.394 279 G CA -1.123 43.967 45.100 -0.016 0.000 0.862 279 G HN 0.463 nan 8.290 nan 0.000 0.540 280 P HA 0.511 nan 4.420 nan 0.000 0.282 280 P C -0.480 176.806 177.300 -0.023 0.000 1.249 280 P CA -0.040 63.044 63.100 -0.028 0.000 0.806 280 P CB 1.544 33.222 31.700 -0.036 0.000 0.984 281 T N 2.993 117.525 114.554 -0.036 0.000 2.879 281 T HA 0.448 4.804 4.350 0.011 0.000 0.290 281 T C 0.102 174.763 174.700 -0.064 0.000 0.993 281 T CA -0.361 61.719 62.100 -0.033 0.000 0.975 281 T CB 0.601 69.450 68.868 -0.031 0.000 0.981 281 T HN 0.243 nan 8.240 nan 0.000 0.439 282 I N 3.965 124.497 120.570 -0.063 0.000 2.301 282 I HA 0.253 4.430 4.170 0.011 0.000 0.292 282 I C -0.513 175.539 176.117 -0.108 0.000 1.046 282 I CA -0.726 60.510 61.300 -0.106 0.000 1.282 282 I CB 1.041 38.932 38.000 -0.183 0.000 1.409 282 I HN 0.357 nan 8.210 nan 0.000 0.484 283 L N 8.429 129.596 121.223 -0.094 0.000 2.255 283 L HA 0.273 4.619 4.340 0.011 0.000 0.289 283 L C -0.153 176.704 176.870 -0.022 0.000 1.046 283 L CA -0.015 54.770 54.840 -0.091 0.000 0.816 283 L CB 0.364 42.387 42.059 -0.060 0.000 1.197 283 L HN 0.447 nan 8.230 nan 0.000 0.427 284 H N 6.502 125.448 119.070 -0.207 0.000 2.705 284 H HA 0.451 5.013 4.556 0.010 0.000 0.291 284 H C -0.463 174.827 175.328 -0.063 0.000 1.085 284 H CA -0.827 55.169 56.048 -0.086 0.000 1.357 284 H CB 0.746 30.473 29.762 -0.059 0.000 1.419 284 H HN 0.760 nan 8.280 nan 0.000 0.462 285 I N 2.723 123.376 120.570 0.139 0.000 2.562 285 I HA 0.516 4.693 4.170 0.011 0.000 0.301 285 I C -1.297 174.807 176.117 -0.022 0.000 1.003 285 I CA -1.015 60.273 61.300 -0.020 0.000 1.127 285 I CB 2.029 40.013 38.000 -0.026 0.000 1.304 285 I HN 0.223 nan 8.210 nan 0.000 0.446 286 V N 4.528 124.366 119.914 -0.127 0.000 2.417 286 V HA 0.560 4.687 4.120 0.011 0.000 0.291 286 V C 0.345 176.322 176.094 -0.196 0.000 1.024 286 V CA -0.044 62.192 62.300 -0.107 0.000 0.861 286 V CB 1.658 33.406 31.823 -0.125 0.000 0.985 286 V HN 1.039 nan 8.190 nan 0.000 0.436 287 T N 0.583 115.049 114.554 -0.146 0.000 2.864 287 T HA 0.575 4.931 4.350 0.011 0.000 0.289 287 T C -0.399 174.345 174.700 0.074 0.000 1.082 287 T CA -0.775 61.168 62.100 -0.261 0.000 1.009 287 T CB 2.024 70.807 68.868 -0.142 0.000 1.234 287 T HN 0.403 nan 8.240 nan 0.000 0.526 288 T N 1.567 116.362 114.554 0.402 0.000 2.788 288 T HA 0.427 4.783 4.350 0.011 0.000 0.296 288 T C -0.146 174.654 174.700 0.166 0.000 1.009 288 T CA -0.642 61.601 62.100 0.239 0.000 0.949 288 T CB 0.868 69.855 68.868 0.197 0.000 0.946 288 T HN 0.708 nan 8.240 nan 0.000 0.453 289 K N 2.216 122.689 120.400 0.122 0.000 2.453 289 K HA 0.300 4.626 4.320 0.011 0.000 0.280 289 K C 1.311 177.950 176.600 0.064 0.000 1.045 289 K CA 1.338 57.688 56.287 0.105 0.000 1.059 289 K CB -0.312 32.266 32.500 0.130 0.000 0.901 289 K HN 0.863 nan 8.250 nan 0.000 0.475 290 G N 2.760 111.576 108.800 0.027 0.000 2.157 290 G HA2 -0.304 3.662 3.960 0.011 0.000 0.248 290 G HA3 -0.304 3.662 3.960 0.011 0.000 0.248 290 G C -0.126 174.703 174.900 -0.118 0.000 0.979 290 G CA 0.252 45.325 45.100 -0.044 0.000 0.650 290 G HN 0.659 nan 8.290 nan 0.000 0.529 291 K N 0.628 120.961 120.400 -0.111 0.000 2.550 291 K HA 0.409 4.735 4.320 0.011 0.000 0.280 291 K C 1.689 178.155 176.600 -0.223 0.000 0.987 291 K CA 2.084 58.240 56.287 -0.219 0.000 1.048 291 K CB -0.053 32.157 32.500 -0.483 0.000 0.879 291 K HN 1.580 nan 8.250 nan 0.000 0.491 292 G N 2.469 111.136 108.800 -0.222 0.000 2.284 292 G HA2 -0.237 3.730 3.960 0.011 0.000 0.216 292 G HA3 -0.237 3.730 3.960 0.011 0.000 0.216 292 G C -0.660 174.103 174.900 -0.228 0.000 1.009 292 G CA 0.047 45.032 45.100 -0.192 0.000 0.625 292 G HN 0.579 nan 8.290 nan 0.000 0.501 293 L N 2.793 123.831 121.223 -0.309 0.000 2.337 293 L HA 0.652 4.999 4.340 0.011 0.000 0.269 293 L C 1.744 178.216 176.870 -0.664 0.000 1.018 293 L CA 0.618 55.145 54.840 -0.521 0.000 0.876 293 L CB 0.968 42.672 42.059 -0.592 0.000 1.236 293 L HN 0.591 nan 8.230 nan 0.000 0.436 294 S N 4.028 119.395 115.700 -0.555 0.000 2.426 294 S HA -0.383 4.094 4.470 0.011 0.000 0.259 294 S C 1.669 176.017 174.600 -0.421 0.000 1.096 294 S CA 2.451 60.414 58.200 -0.394 0.000 1.219 294 S CB -1.305 61.750 63.200 -0.242 0.000 1.124 294 S HN 0.714 nan 8.310 nan 0.000 0.436 295 Y N 1.602 121.732 120.300 -0.283 0.000 2.439 295 Y HA 0.571 5.128 4.550 0.012 0.000 0.292 295 Y C 2.652 178.244 175.900 -0.513 0.000 1.130 295 Y CA -0.315 57.604 58.100 -0.301 0.000 1.254 295 Y CB -1.245 37.067 38.460 -0.246 0.000 1.000 295 Y HN 0.397 nan 8.280 nan 0.000 0.554 296 A N 1.097 123.429 122.820 -0.813 0.000 1.898 296 A HA -0.175 4.152 4.320 0.011 0.000 0.216 296 A C 2.096 179.591 177.584 -0.149 0.000 1.181 296 A CA 1.646 53.344 52.037 -0.565 0.000 0.620 296 A CB -0.708 17.987 19.000 -0.508 0.000 0.819 296 A HN 0.546 nan 8.150 nan 0.000 0.442 297 E N -0.217 119.873 120.200 -0.184 0.000 2.058 297 E HA -0.137 4.220 4.350 0.011 0.000 0.194 297 E C 2.231 178.836 176.600 0.008 0.000 0.997 297 E CA 1.108 57.468 56.400 -0.067 0.000 0.801 297 E CB -0.294 29.350 29.700 -0.094 0.000 0.746 297 E HN 0.610 nan 8.360 nan 0.000 0.450 298 A N 0.803 123.628 122.820 0.009 0.000 2.070 298 A HA -0.140 4.186 4.320 0.011 0.000 0.220 298 A C 1.018 178.688 177.584 0.144 0.000 1.159 298 A CA 1.300 53.382 52.037 0.074 0.000 0.656 298 A CB 0.210 19.260 19.000 0.084 0.000 0.800 298 A HN 0.162 nan 8.150 nan 0.000 0.453 299 D N -2.113 118.416 120.400 0.216 0.000 2.586 299 D HA 0.192 4.839 4.640 0.011 0.000 0.254 299 D C -2.502 174.037 176.300 0.399 0.000 1.248 299 D CA -1.340 52.852 54.000 0.319 0.000 0.843 299 D CB 1.071 42.121 40.800 0.417 0.000 1.332 299 D HN 0.070 nan 8.370 nan 0.000 0.523 300 P HA 0.115 nan 4.420 nan 0.000 0.245 300 P C 1.601 179.048 177.300 0.244 0.000 1.212 300 P CA 0.067 63.319 63.100 0.254 0.000 0.774 300 P CB 0.766 32.570 31.700 0.174 0.000 0.999 301 I N -1.231 119.468 120.570 0.216 0.000 2.206 301 I HA -0.222 3.954 4.170 0.011 0.000 0.239 301 I C 2.621 178.829 176.117 0.152 0.000 1.078 301 I CA 1.267 62.663 61.300 0.160 0.000 1.367 301 I CB -0.749 37.329 38.000 0.130 0.000 1.078 301 I HN -0.138 nan 8.210 nan 0.000 0.413 302 Y N 0.540 120.862 120.300 0.038 0.000 2.181 302 Y HA -0.252 4.329 4.550 0.051 0.000 0.288 302 Y C 1.781 177.532 175.900 -0.249 0.000 1.146 302 Y CA 1.394 59.389 58.100 -0.176 0.000 1.164 302 Y CB -0.424 37.811 38.460 -0.376 0.000 0.982 302 Y HN 0.108 nan 8.280 nan 0.000 0.515 303 W N -0.064 121.206 121.300 -0.051 0.000 3.204 303 W HA -0.018 4.640 4.660 -0.005 0.000 0.249 303 W C 2.493 178.955 176.519 -0.096 0.000 1.322 303 W CA 0.880 58.140 57.345 -0.142 0.000 1.593 303 W CB -0.527 28.934 29.460 0.001 0.000 1.122 303 W HN 0.268 nan 8.180 nan 0.000 0.710 304 H N -0.146 118.934 119.070 0.018 0.000 2.321 304 H HA -0.032 4.529 4.556 0.008 0.000 0.300 304 H C 0.754 176.120 175.328 0.063 0.000 1.087 304 H CA 1.799 57.894 56.048 0.078 0.000 1.319 304 H CB 0.074 29.890 29.762 0.091 0.000 1.379 304 H HN 0.064 nan 8.280 nan 0.000 0.501 305 G N 2.453 111.204 108.800 -0.081 0.000 3.598 305 G HA2 0.289 4.255 3.960 0.011 0.000 0.320 305 G HA3 0.289 4.255 3.960 0.011 0.000 0.320 305 G C -2.944 171.721 174.900 -0.393 0.000 1.560 305 G CA -0.913 44.060 45.100 -0.211 0.000 0.904 305 G HN 0.185 nan 8.290 nan 0.000 0.489 306 P HA 0.519 nan 4.420 nan 0.000 0.282 306 P C 0.442 177.591 177.300 -0.252 0.000 1.249 306 P CA -0.167 62.495 63.100 -0.731 0.000 0.806 306 P CB 1.932 33.247 31.700 -0.641 0.000 0.984 307 A N 2.890 125.595 122.820 -0.192 0.000 2.325 307 A HA 0.128 4.454 4.320 0.011 0.000 0.260 307 A C 0.514 178.238 177.584 0.233 0.000 1.133 307 A CA -0.382 51.687 52.037 0.054 0.000 0.801 307 A CB -0.281 18.787 19.000 0.113 0.000 1.092 307 A HN 0.608 nan 8.150 nan 0.000 0.504 308 K N -0.183 120.328 120.400 0.185 0.000 2.491 308 K HA 0.187 4.513 4.320 0.011 0.000 0.279 308 K C -1.008 175.784 176.600 0.320 0.000 1.026 308 K CA 0.699 57.088 56.287 0.169 0.000 1.070 308 K CB -0.326 32.225 32.500 0.085 0.000 0.887 308 K HN 0.543 nan 8.250 nan 0.000 0.481 309 F N 1.710 121.771 119.950 0.185 0.000 2.645 309 F HA 0.367 4.904 4.527 0.017 0.000 0.310 309 F C -1.173 174.747 175.800 0.199 0.000 1.102 309 F CA -1.396 56.756 58.000 0.254 0.000 0.952 309 F CB 1.021 40.296 39.000 0.458 0.000 1.326 309 F HN 0.454 nan 8.300 nan 0.000 0.456 310 D N 1.571 122.134 120.400 0.271 0.000 2.168 310 D HA 0.348 4.995 4.640 0.011 0.000 0.246 310 D C -2.513 174.013 176.300 0.376 0.000 1.050 310 D CA -2.041 52.045 54.000 0.143 0.000 0.857 310 D CB 2.143 42.998 40.800 0.091 0.000 1.169 310 D HN 0.279 nan 8.370 nan 0.000 0.453 311 P HA -0.010 nan 4.420 nan 0.000 0.221 311 P C 1.154 178.672 177.300 0.364 0.000 1.150 311 P CA 1.291 64.672 63.100 0.467 0.000 0.800 311 P CB 0.223 32.084 31.700 0.268 0.000 0.787 312 A N -0.929 122.024 122.820 0.221 0.000 1.872 312 A HA -0.097 4.229 4.320 0.011 0.000 0.214 312 A C 2.167 179.851 177.584 0.166 0.000 1.187 312 A CA 2.158 54.291 52.037 0.159 0.000 0.614 312 A CB -1.600 17.458 19.000 0.096 0.000 0.826 312 A HN 0.128 nan 8.150 nan 0.000 0.442 313 T N -1.677 112.955 114.554 0.130 0.000 2.755 313 T HA 0.368 4.725 4.350 0.011 0.000 0.251 313 T C 1.515 176.194 174.700 -0.035 0.000 1.044 313 T CA 1.759 63.901 62.100 0.070 0.000 1.154 313 T CB -0.228 68.656 68.868 0.027 0.000 0.866 313 T HN 1.406 nan 8.240 nan 0.000 0.416 314 G N 1.064 109.743 108.800 -0.202 0.000 2.175 314 G HA2 -0.141 3.825 3.960 0.011 0.000 0.182 314 G HA3 -0.141 3.825 3.960 0.011 0.000 0.182 314 G C -0.163 174.639 174.900 -0.163 0.000 1.003 314 G CA -0.361 44.176 45.100 -0.938 0.000 0.666 314 G HN 0.468 nan 8.290 nan 0.000 0.506 315 E N 0.449 120.635 120.200 -0.023 0.000 2.316 315 E HA 0.491 4.848 4.350 0.011 0.000 0.275 315 E C -0.031 176.642 176.600 0.122 0.000 1.029 315 E CA -0.388 55.980 56.400 -0.054 0.000 0.871 315 E CB 0.370 30.024 29.700 -0.076 0.000 1.022 315 E HN 0.545 nan 8.360 nan 0.000 0.418 316 Y N -0.669 119.681 120.300 0.083 0.000 2.562 316 Y HA 0.445 4.983 4.550 -0.020 0.000 0.343 316 Y C -0.194 175.731 175.900 0.042 0.000 1.025 316 Y CA -1.691 56.476 58.100 0.112 0.000 1.082 316 Y CB 0.244 38.736 38.460 0.054 0.000 1.264 316 Y HN 0.141 nan 8.280 nan 0.000 0.478 317 V N 0.245 120.319 119.914 0.267 0.000 2.425 317 V HA 0.294 4.421 4.120 0.011 0.000 0.276 317 V C -2.608 173.619 176.094 0.222 0.000 1.017 317 V CA -1.726 60.672 62.300 0.163 0.000 1.062 317 V CB -0.426 31.472 31.823 0.125 0.000 0.997 317 V HN 0.650 nan 8.190 nan 0.000 0.476 318 P HA 0.187 nan 4.420 nan 0.000 0.269 318 P C 0.231 177.594 177.300 0.104 0.000 1.263 318 P CA 0.229 63.407 63.100 0.130 0.000 0.813 318 P CB 0.330 32.044 31.700 0.024 0.000 0.868 319 S N 1.580 117.353 115.700 0.121 0.000 2.686 319 S HA 0.150 4.627 4.470 0.011 0.000 0.324 319 S C 0.545 175.186 174.600 0.067 0.000 1.172 319 S CA -0.498 57.754 58.200 0.086 0.000 1.127 319 S CB -0.713 62.538 63.200 0.085 0.000 1.338 319 S HN 0.350 nan 8.310 nan 0.000 0.547 320 S N 2.330 118.064 115.700 0.055 0.000 3.266 320 S HA 0.616 5.092 4.470 0.011 0.000 0.209 320 S C 0.282 174.914 174.600 0.054 0.000 1.409 320 S CA -0.571 57.659 58.200 0.051 0.000 1.179 320 S CB -0.275 62.949 63.200 0.041 0.000 1.218 320 S HN 1.003 nan 8.310 nan 0.000 0.514 321 A N 1.506 124.358 122.820 0.053 0.000 2.294 321 A HA 0.655 4.982 4.320 0.011 0.000 0.330 321 A C -0.970 176.659 177.584 0.074 0.000 1.133 321 A CA -0.815 51.257 52.037 0.058 0.000 0.836 321 A CB 0.605 19.630 19.000 0.042 0.000 1.190 321 A HN 0.719 nan 8.150 nan 0.000 0.492 322 Y N 2.468 122.742 120.300 -0.043 0.000 2.700 322 Y HA 0.393 4.949 4.550 0.010 0.000 0.333 322 Y C 0.935 176.776 175.900 -0.098 0.000 1.036 322 Y CA -0.126 57.935 58.100 -0.064 0.000 1.287 322 Y CB 0.340 38.745 38.460 -0.093 0.000 1.132 322 Y HN 0.805 nan 8.280 nan 0.000 0.510 323 S N 2.301 117.865 115.700 -0.226 0.000 2.634 323 S HA 0.030 4.507 4.470 0.011 0.000 0.261 323 S C 0.925 175.440 174.600 -0.143 0.000 1.271 323 S CA -0.550 57.584 58.200 -0.108 0.000 0.985 323 S CB 0.470 63.671 63.200 0.002 0.000 0.968 323 S HN 0.833 nan 8.310 nan 0.000 0.568 324 W N 0.766 122.073 121.300 0.012 0.000 2.335 324 W HA -0.086 4.580 4.660 0.011 0.000 0.311 324 W C 3.035 179.576 176.519 0.036 0.000 1.213 324 W CA 1.516 58.868 57.345 0.013 0.000 1.274 324 W CB -0.947 28.587 29.460 0.124 0.000 1.148 324 W HN 0.718 nan 8.180 nan 0.000 0.498 325 S N 0.280 116.194 115.700 0.357 0.000 2.380 325 S HA -0.306 4.171 4.470 0.011 0.000 0.229 325 S C 1.929 176.660 174.600 0.219 0.000 1.043 325 S CA 1.764 60.178 58.200 0.358 0.000 1.038 325 S CB -0.964 62.404 63.200 0.281 0.000 0.872 325 S HN 0.333 nan 8.310 nan 0.000 0.456 326 A N 1.389 124.189 122.820 -0.033 0.000 1.872 326 A HA 0.230 4.557 4.320 0.011 0.000 0.214 326 A C 2.395 179.863 177.584 -0.195 0.000 1.187 326 A CA 1.576 53.471 52.037 -0.237 0.000 0.614 326 A CB -1.159 17.455 19.000 -0.643 0.000 0.826 326 A HN 0.521 nan 8.150 nan 0.000 0.442 327 A N -0.673 122.041 122.820 -0.176 0.000 1.908 327 A HA -0.065 4.262 4.320 0.011 0.000 0.218 327 A C 2.004 179.664 177.584 0.128 0.000 1.181 327 A CA 1.776 53.873 52.037 0.100 0.000 0.627 327 A CB -0.804 18.265 19.000 0.114 0.000 0.818 327 A HN 0.721 nan 8.150 nan 0.000 0.445 328 F N 1.099 121.051 119.950 0.003 0.000 2.000 328 F HA -0.088 4.446 4.527 0.011 0.000 0.296 328 F C 2.391 178.257 175.800 0.110 0.000 1.159 328 F CA 1.876 59.900 58.000 0.040 0.000 1.183 328 F CB -1.141 37.910 39.000 0.085 0.000 0.959 328 F HN 0.208 nan 8.300 nan 0.000 0.490 329 G N -0.393 108.236 108.800 -0.285 0.000 2.606 329 G HA2 -0.426 3.540 3.960 0.011 0.000 0.221 329 G HA3 -0.426 3.540 3.960 0.011 0.000 0.221 329 G C 1.632 176.471 174.900 -0.102 0.000 1.152 329 G CA 1.230 46.142 45.100 -0.313 0.000 0.765 329 G HN 0.566 nan 8.290 nan 0.000 0.595 330 E N 0.258 120.458 120.200 0.001 0.000 2.038 330 E HA -0.117 4.239 4.350 0.011 0.000 0.195 330 E C 2.953 179.631 176.600 0.130 0.000 1.000 330 E CA 1.106 57.559 56.400 0.087 0.000 0.803 330 E CB -0.293 29.486 29.700 0.132 0.000 0.750 330 E HN 0.380 nan 8.360 nan 0.000 0.448 331 A N 0.533 123.414 122.820 0.101 0.000 1.883 331 A HA -0.214 4.113 4.320 0.011 0.000 0.217 331 A C 2.433 180.258 177.584 0.402 0.000 1.186 331 A CA 2.251 54.418 52.037 0.216 0.000 0.624 331 A CB -1.025 18.055 19.000 0.134 0.000 0.822 331 A HN 0.283 nan 8.150 nan 0.000 0.444 332 V N -2.164 117.827 119.914 0.129 0.000 2.515 332 V HA -0.184 3.943 4.120 0.011 0.000 0.250 332 V C 2.342 178.709 176.094 0.454 0.000 1.058 332 V CA 2.401 64.821 62.300 0.201 0.000 1.064 332 V CB -1.960 29.738 31.823 -0.209 0.000 0.675 332 V HN 0.461 nan 8.190 nan 0.000 0.461 333 T N 0.285 115.106 114.554 0.445 0.000 2.708 333 T HA -0.233 4.123 4.350 0.011 0.000 0.266 333 T C 1.872 176.837 174.700 0.443 0.000 1.037 333 T CA 2.105 64.513 62.100 0.513 0.000 1.146 333 T CB -0.279 68.770 68.868 0.302 0.000 0.865 333 T HN 0.730 nan 8.240 nan 0.000 0.435 334 E N -0.814 119.621 120.200 0.393 0.000 2.110 334 E HA -0.159 4.198 4.350 0.011 0.000 0.193 334 E C 1.980 178.803 176.600 0.371 0.000 0.988 334 E CA 0.984 57.618 56.400 0.391 0.000 0.804 334 E CB -0.137 29.862 29.700 0.499 0.000 0.745 334 E HN 0.599 nan 8.360 nan 0.000 0.458 335 W N 0.712 122.169 121.300 0.263 0.000 2.407 335 W HA -0.006 4.659 4.660 0.009 0.000 0.305 335 W C 2.363 178.867 176.519 -0.024 0.000 1.196 335 W CA 1.957 59.299 57.345 -0.005 0.000 1.311 335 W CB -0.449 28.990 29.460 -0.035 0.000 1.135 335 W HN 0.158 nan 8.180 nan 0.000 0.514 336 A N -0.113 122.845 122.820 0.230 0.000 2.076 336 A HA -0.240 4.087 4.320 0.011 0.000 0.220 336 A C 1.876 179.381 177.584 -0.132 0.000 1.160 336 A CA 1.891 53.907 52.037 -0.035 0.000 0.653 336 A CB -0.698 18.113 19.000 -0.314 0.000 0.801 336 A HN 0.372 nan 8.150 nan 0.000 0.455 337 K N -0.870 119.540 120.400 0.017 0.000 2.097 337 K HA -0.110 4.216 4.320 0.011 0.000 0.205 337 K C 1.879 178.429 176.600 -0.084 0.000 1.050 337 K CA 1.714 58.041 56.287 0.067 0.000 0.938 337 K CB -0.078 32.478 32.500 0.093 0.000 0.718 337 K HN 0.700 nan 8.250 nan 0.000 0.442 338 T N -2.616 111.801 114.554 -0.228 0.000 3.040 338 T HA 0.028 4.385 4.350 0.011 0.000 0.250 338 T C -0.066 174.403 174.700 -0.385 0.000 1.058 338 T CA -0.261 61.658 62.100 -0.302 0.000 0.988 338 T CB 0.287 68.924 68.868 -0.385 0.000 0.993 338 T HN -0.059 nan 8.240 nan 0.000 0.519 339 D N 2.282 122.435 120.400 -0.412 0.000 2.454 339 D HA 0.349 4.995 4.640 0.011 0.000 0.247 339 D C -1.864 174.356 176.300 -0.132 0.000 1.129 339 D CA -2.510 51.288 54.000 -0.338 0.000 0.877 339 D CB 2.058 42.520 40.800 -0.563 0.000 1.082 339 D HN -0.067 nan 8.370 nan 0.000 0.537 340 P HA -0.029 nan 4.420 nan 0.000 0.234 340 P C 0.757 178.075 177.300 0.030 0.000 1.167 340 P CA 0.345 63.429 63.100 -0.027 0.000 0.763 340 P CB 0.368 32.056 31.700 -0.021 0.000 0.835 341 R N -1.027 119.502 120.500 0.048 0.000 2.280 341 R HA 0.134 4.480 4.340 0.011 0.000 0.195 341 R C 0.671 177.076 176.300 0.174 0.000 0.935 341 R CA 0.253 56.415 56.100 0.104 0.000 1.033 341 R CB -0.338 30.010 30.300 0.080 0.000 0.964 341 R HN 0.091 nan 8.270 nan 0.000 0.489 342 T N 1.412 116.082 114.554 0.193 0.000 2.916 342 T HA 0.141 4.497 4.350 0.011 0.000 0.303 342 T C -0.831 174.039 174.700 0.283 0.000 1.025 342 T CA 0.584 62.840 62.100 0.260 0.000 1.142 342 T CB 0.318 69.379 68.868 0.321 0.000 0.947 342 T HN 0.050 nan 8.240 nan 0.000 0.544 343 F N 3.346 123.384 119.950 0.147 0.000 2.653 343 F HA 0.471 5.005 4.527 0.012 0.000 0.327 343 F C -0.948 174.922 175.800 0.117 0.000 1.195 343 F CA -1.006 57.088 58.000 0.157 0.000 0.993 343 F CB 1.246 40.304 39.000 0.096 0.000 1.259 343 F HN 0.226 nan 8.300 nan 0.000 0.478 344 V N 6.518 126.674 119.914 0.403 0.000 2.407 344 V HA 0.445 4.571 4.120 0.011 0.000 0.278 344 V C -0.433 175.810 176.094 0.249 0.000 1.037 344 V CA -0.631 61.782 62.300 0.188 0.000 0.900 344 V CB 1.316 32.964 31.823 -0.293 0.000 0.983 344 V HN 0.490 nan 8.190 nan 0.000 0.459 345 V N 3.889 123.890 119.914 0.146 0.000 2.459 345 V HA 0.652 4.779 4.120 0.011 0.000 0.295 345 V C 0.142 176.246 176.094 0.016 0.000 1.029 345 V CA -0.312 62.011 62.300 0.038 0.000 0.874 345 V CB 1.854 33.677 31.823 -0.001 0.000 0.985 345 V HN 0.924 nan 8.190 nan 0.000 0.438 346 T N 5.342 119.869 114.554 -0.044 0.000 2.893 346 T HA 0.599 4.955 4.350 0.011 0.000 0.293 346 T C -3.025 171.662 174.700 -0.021 0.000 1.027 346 T CA -2.047 60.064 62.100 0.017 0.000 0.988 346 T CB 2.385 71.319 68.868 0.110 0.000 1.043 346 T HN 0.502 nan 8.240 nan 0.000 0.461 347 P HA 0.435 nan 4.420 nan 0.000 0.234 347 P C 0.321 177.562 177.300 -0.099 0.000 1.799 347 P CA -0.012 63.051 63.100 -0.061 0.000 1.118 347 P CB 0.257 31.919 31.700 -0.064 0.000 1.827 348 A N 2.917 125.698 122.820 -0.064 0.000 3.153 348 A HA -0.199 4.128 4.320 0.011 0.000 0.265 348 A C 0.896 178.441 177.584 -0.064 0.000 1.212 348 A CA 1.451 53.447 52.037 -0.068 0.000 1.018 348 A CB -2.361 16.564 19.000 -0.125 0.000 1.130 348 A HN 0.423 nan 8.150 nan 0.000 0.873 349 M N -1.019 118.559 119.600 -0.036 0.000 2.778 349 M HA 0.202 4.689 4.480 0.011 0.000 0.359 349 M C 1.242 177.605 176.300 0.105 0.000 1.216 349 M CA 0.197 55.478 55.300 -0.030 0.000 0.935 349 M CB -0.304 32.190 32.600 -0.176 0.000 1.330 349 M HN 0.568 nan 8.290 nan 0.000 0.516 350 R N 1.731 122.333 120.500 0.170 0.000 2.162 350 R HA -0.229 4.118 4.340 0.011 0.000 0.245 350 R C 1.598 178.004 176.300 0.177 0.000 1.129 350 R CA 2.660 58.902 56.100 0.237 0.000 0.940 350 R CB 0.168 30.621 30.300 0.255 0.000 0.875 350 R HN 0.396 nan 8.270 nan 0.000 0.437 351 E N -0.973 119.305 120.200 0.130 0.000 2.047 351 E HA -0.125 4.231 4.350 0.011 0.000 0.191 351 E C 2.094 178.798 176.600 0.173 0.000 0.987 351 E CA 1.387 57.862 56.400 0.125 0.000 0.799 351 E CB -0.727 29.029 29.700 0.093 0.000 0.752 351 E HN 0.622 nan 8.360 nan 0.000 0.449 352 G N 1.130 110.048 108.800 0.197 0.000 2.418 352 G HA2 -0.228 3.739 3.960 0.011 0.000 0.217 352 G HA3 -0.228 3.739 3.960 0.011 0.000 0.217 352 G C 1.713 176.875 174.900 0.437 0.000 1.158 352 G CA 0.837 46.136 45.100 0.332 0.000 0.771 352 G HN 0.255 nan 8.290 nan 0.000 0.545 353 S N 0.031 115.972 115.700 0.402 0.000 2.607 353 S HA 0.317 4.794 4.470 0.011 0.000 0.224 353 S C 1.589 176.462 174.600 0.454 0.000 0.969 353 S CA 0.781 59.256 58.200 0.459 0.000 0.927 353 S CB -0.309 63.136 63.200 0.409 0.000 0.772 353 S HN 1.218 nan 8.310 nan 0.000 0.533 354 G N 1.197 110.186 108.800 0.315 0.000 2.298 354 G HA2 -0.217 3.750 3.960 0.011 0.000 0.287 354 G HA3 -0.217 3.750 3.960 0.011 0.000 0.287 354 G C 0.269 175.269 174.900 0.167 0.000 1.075 354 G CA 0.146 45.381 45.100 0.224 0.000 0.960 354 G HN 0.535 nan 8.290 nan 0.000 0.502 355 L N -0.593 120.729 121.223 0.165 0.000 2.966 355 L HA 0.153 4.499 4.340 0.011 0.000 0.262 355 L C 2.477 179.385 176.870 0.063 0.000 1.165 355 L CA -0.122 54.794 54.840 0.126 0.000 0.978 355 L CB 0.424 42.604 42.059 0.202 0.000 1.337 355 L HN 0.225 nan 8.230 nan 0.000 0.563 356 V N 0.273 120.217 119.914 0.051 0.000 2.220 356 V HA -0.366 3.761 4.120 0.011 0.000 0.250 356 V C 2.426 178.509 176.094 -0.018 0.000 1.056 356 V CA 2.285 64.586 62.300 0.001 0.000 1.016 356 V CB -0.329 31.510 31.823 0.027 0.000 0.639 356 V HN 0.503 nan 8.190 nan 0.000 0.446 357 E N -0.826 119.385 120.200 0.017 0.000 2.085 357 E HA -0.266 4.091 4.350 0.011 0.000 0.194 357 E C 2.093 178.691 176.600 -0.004 0.000 0.994 357 E CA 1.787 58.185 56.400 -0.002 0.000 0.801 357 E CB -0.198 29.509 29.700 0.011 0.000 0.743 357 E HN 0.642 nan 8.360 nan 0.000 0.453 358 F N 1.338 121.240 119.950 -0.081 0.000 2.161 358 F HA -0.229 4.303 4.527 0.007 0.000 0.300 358 F C 2.583 178.309 175.800 -0.122 0.000 1.089 358 F CA 1.770 59.754 58.000 -0.027 0.000 1.282 358 F CB -0.198 38.815 39.000 0.022 0.000 1.010 358 F HN 0.017 nan 8.300 nan 0.000 0.485 359 S N -0.009 115.653 115.700 -0.064 0.000 2.474 359 S HA -0.114 4.363 4.470 0.011 0.000 0.235 359 S C 1.873 176.314 174.600 -0.266 0.000 0.997 359 S CA 0.757 58.681 58.200 -0.459 0.000 0.949 359 S CB -0.499 62.107 63.200 -0.990 0.000 0.766 359 S HN 0.530 nan 8.310 nan 0.000 0.517 360 R N -0.008 120.368 120.500 -0.208 0.000 2.175 360 R HA 0.271 4.617 4.340 0.011 0.000 0.202 360 R C 1.916 178.071 176.300 -0.241 0.000 1.018 360 R CA 0.804 56.796 56.100 -0.180 0.000 1.029 360 R CB -0.187 30.037 30.300 -0.127 0.000 0.959 360 R HN 0.330 nan 8.270 nan 0.000 0.480 361 V N -0.182 119.528 119.914 -0.340 0.000 2.788 361 V HA -0.092 4.034 4.120 0.011 0.000 0.251 361 V C 0.270 175.948 176.094 -0.693 0.000 1.068 361 V CA 1.329 63.321 62.300 -0.513 0.000 1.090 361 V CB -0.295 31.155 31.823 -0.622 0.000 0.710 361 V HN 0.341 nan 8.190 nan 0.000 0.467 362 H N -0.804 117.995 119.070 -0.453 0.000 2.716 362 H HA 0.205 4.768 4.556 0.013 0.000 0.230 362 H C -1.811 173.320 175.328 -0.328 0.000 1.401 362 H CA -1.128 54.634 56.048 -0.476 0.000 1.168 362 H CB 0.797 30.028 29.762 -0.885 0.000 1.935 362 H HN 0.207 nan 8.280 nan 0.000 0.538 363 P HA -0.223 nan 4.420 nan 0.000 0.219 363 P C 0.803 178.123 177.300 0.033 0.000 1.146 363 P CA 1.367 64.409 63.100 -0.097 0.000 0.808 363 P CB 0.397 31.965 31.700 -0.220 0.000 0.779 364 H N -0.647 118.407 119.070 -0.027 0.000 2.536 364 H HA 0.216 4.780 4.556 0.014 0.000 0.276 364 H C 0.935 176.116 175.328 -0.245 0.000 1.019 364 H CA 0.342 56.356 56.048 -0.057 0.000 1.159 364 H CB 0.131 29.877 29.762 -0.027 0.000 1.373 364 H HN 0.032 nan 8.280 nan 0.000 0.584 365 R N -0.318 120.021 120.500 -0.269 0.000 2.548 365 R HA 0.080 4.426 4.340 0.011 0.000 0.449 365 R C -1.159 174.808 176.300 -0.554 0.000 0.928 365 R CA -0.328 55.273 56.100 -0.832 0.000 1.107 365 R CB 0.016 30.100 30.300 -0.360 0.000 1.557 365 R HN 0.150 nan 8.270 nan 0.000 0.584 366 Y N 0.418 120.530 120.300 -0.312 0.000 2.462 366 Y HA 0.663 5.224 4.550 0.018 0.000 0.346 366 Y C -1.634 174.429 175.900 0.272 0.000 0.976 366 Y CA -1.582 56.619 58.100 0.170 0.000 1.044 366 Y CB 1.720 40.371 38.460 0.319 0.000 1.230 366 Y HN 0.018 nan 8.280 nan 0.000 0.455 367 L N 5.965 126.911 121.223 -0.462 0.000 2.505 367 L HA 0.453 4.799 4.340 0.011 0.000 0.266 367 L C -2.132 174.457 176.870 -0.469 0.000 0.954 367 L CA -0.335 54.345 54.840 -0.267 0.000 0.852 367 L CB 1.903 44.067 42.059 0.174 0.000 1.282 367 L HN 0.727 nan 8.230 nan 0.000 0.403 368 D N 3.679 123.877 120.400 -0.336 0.000 2.472 368 D HA 0.234 4.880 4.640 0.011 0.000 0.234 368 D C 0.664 176.927 176.300 -0.060 0.000 1.088 368 D CA -0.173 53.725 54.000 -0.169 0.000 0.882 368 D CB 1.496 42.285 40.800 -0.018 0.000 1.037 368 D HN 0.424 nan 8.370 nan 0.000 0.520 369 V N 2.025 121.903 119.914 -0.059 0.000 3.563 369 V HA 0.504 4.631 4.120 0.011 0.000 0.299 369 V C 1.067 177.141 176.094 -0.034 0.000 1.290 369 V CA 0.512 62.789 62.300 -0.038 0.000 1.201 369 V CB -1.027 30.771 31.823 -0.041 0.000 1.045 369 V HN 0.663 nan 8.190 nan 0.000 0.425 370 G N 1.124 109.904 108.800 -0.034 0.000 2.741 370 G HA2 -0.219 3.747 3.960 0.011 0.000 0.222 370 G HA3 -0.219 3.747 3.960 0.011 0.000 0.222 370 G C -0.221 174.633 174.900 -0.076 0.000 1.364 370 G CA -0.268 44.807 45.100 -0.040 0.000 0.866 370 G HN 0.754 nan 8.290 nan 0.000 0.555 371 I N 1.300 121.815 120.570 -0.091 0.000 2.330 371 I HA 0.445 4.622 4.170 0.011 0.000 0.280 371 I C 1.025 177.068 176.117 -0.123 0.000 1.069 371 I CA 0.799 62.010 61.300 -0.149 0.000 1.873 371 I CB -0.747 37.151 38.000 -0.171 0.000 1.476 371 I HN 0.918 nan 8.210 nan 0.000 0.813 372 A N 2.364 125.126 122.820 -0.096 0.000 2.855 372 A HA 0.447 4.774 4.320 0.011 0.000 0.313 372 A C 0.567 178.122 177.584 -0.049 0.000 1.173 372 A CA -0.507 51.491 52.037 -0.066 0.000 0.753 372 A CB 0.503 19.476 19.000 -0.045 0.000 1.200 372 A HN 0.362 nan 8.150 nan 0.000 0.442 373 E N 0.705 120.875 120.200 -0.049 0.000 2.110 373 E HA -0.172 4.184 4.350 0.011 0.000 0.193 373 E C 1.386 177.999 176.600 0.022 0.000 0.988 373 E CA 2.027 58.424 56.400 -0.005 0.000 0.804 373 E CB 0.022 29.729 29.700 0.011 0.000 0.745 373 E HN 0.809 nan 8.360 nan 0.000 0.458 374 E N -0.094 120.111 120.200 0.009 0.000 2.085 374 E HA -0.163 4.193 4.350 0.011 0.000 0.194 374 E C 2.046 178.655 176.600 0.015 0.000 0.994 374 E CA 1.170 57.580 56.400 0.017 0.000 0.801 374 E CB -0.401 29.301 29.700 0.003 0.000 0.743 374 E HN 0.080 nan 8.360 nan 0.000 0.453 375 V N 0.973 120.886 119.914 -0.002 0.000 2.515 375 V HA -0.214 3.913 4.120 0.011 0.000 0.250 375 V C 2.196 178.283 176.094 -0.013 0.000 1.058 375 V CA 1.562 63.855 62.300 -0.011 0.000 1.064 375 V CB -0.815 30.995 31.823 -0.022 0.000 0.675 375 V HN 0.371 nan 8.190 nan 0.000 0.461 376 A N -0.105 122.713 122.820 -0.004 0.000 1.883 376 A HA -0.173 4.153 4.320 0.011 0.000 0.217 376 A C 2.419 180.006 177.584 0.004 0.000 1.186 376 A CA 2.256 54.290 52.037 -0.005 0.000 0.624 376 A CB -0.702 18.305 19.000 0.013 0.000 0.822 376 A HN 0.319 nan 8.150 nan 0.000 0.444 377 V N -0.500 119.447 119.914 0.055 0.000 2.270 377 V HA -0.188 3.939 4.120 0.011 0.000 0.245 377 V C 2.705 178.825 176.094 0.042 0.000 1.043 377 V CA 2.447 64.803 62.300 0.094 0.000 1.014 377 V CB -1.019 30.934 31.823 0.216 0.000 0.645 377 V HN 0.607 nan 8.190 nan 0.000 0.447 378 T N -0.947 113.627 114.554 0.034 0.000 2.995 378 T HA -0.126 4.230 4.350 0.011 0.000 0.269 378 T C 1.881 176.566 174.700 -0.025 0.000 1.091 378 T CA 1.551 63.660 62.100 0.015 0.000 1.128 378 T CB -0.232 68.653 68.868 0.028 0.000 0.891 378 T HN 0.511 nan 8.240 nan 0.000 0.492 379 T N 2.095 116.622 114.554 -0.046 0.000 2.708 379 T HA -0.052 4.305 4.350 0.011 0.000 0.266 379 T C 2.444 177.068 174.700 -0.126 0.000 1.037 379 T CA 1.187 63.232 62.100 -0.091 0.000 1.146 379 T CB -0.514 68.289 68.868 -0.108 0.000 0.865 379 T HN 0.445 nan 8.240 nan 0.000 0.435 380 A N 1.581 124.330 122.820 -0.118 0.000 1.908 380 A HA 0.045 4.372 4.320 0.011 0.000 0.218 380 A C 2.656 180.179 177.584 -0.102 0.000 1.181 380 A CA 2.057 54.011 52.037 -0.137 0.000 0.627 380 A CB -1.236 17.672 19.000 -0.153 0.000 0.818 380 A HN 0.518 nan 8.150 nan 0.000 0.445 381 A N -0.441 122.343 122.820 -0.060 0.000 1.873 381 A HA 0.008 4.334 4.320 0.011 0.000 0.218 381 A C 2.522 180.075 177.584 -0.051 0.000 1.193 381 A CA 2.341 54.356 52.037 -0.038 0.000 0.629 381 A CB -1.640 17.355 19.000 -0.008 0.000 0.826 381 A HN 0.880 nan 8.150 nan 0.000 0.447 382 G N -0.881 107.884 108.800 -0.058 0.000 2.476 382 G HA2 -0.307 3.660 3.960 0.011 0.000 0.218 382 G HA3 -0.307 3.660 3.960 0.011 0.000 0.218 382 G C 1.667 176.521 174.900 -0.077 0.000 1.164 382 G CA 1.444 46.507 45.100 -0.062 0.000 0.768 382 G HN 0.474 nan 8.290 nan 0.000 0.560 383 M N 0.712 120.242 119.600 -0.117 0.000 2.073 383 M HA -0.115 4.371 4.480 0.011 0.000 0.258 383 M C 3.021 179.281 176.300 -0.067 0.000 1.070 383 M CA 1.782 57.007 55.300 -0.125 0.000 1.103 383 M CB -0.246 32.229 32.600 -0.208 0.000 1.321 383 M HN 0.330 nan 8.290 nan 0.000 0.405 384 A N -0.429 122.355 122.820 -0.059 0.000 2.015 384 A HA -0.103 4.224 4.320 0.011 0.000 0.219 384 A C 1.924 179.494 177.584 -0.024 0.000 1.163 384 A CA 1.028 53.045 52.037 -0.034 0.000 0.646 384 A CB -0.616 18.361 19.000 -0.038 0.000 0.806 384 A HN 0.380 nan 8.150 nan 0.000 0.448 385 L N -0.822 120.383 121.223 -0.030 0.000 2.265 385 L HA -0.071 4.276 4.340 0.011 0.000 0.215 385 L C 1.638 178.498 176.870 -0.017 0.000 1.117 385 L CA 1.530 56.357 54.840 -0.022 0.000 0.782 385 L CB -0.434 41.610 42.059 -0.026 0.000 0.914 385 L HN 0.365 nan 8.230 nan 0.000 0.441 386 Q N -1.101 118.687 119.800 -0.019 0.000 2.186 386 Q HA 0.289 4.636 4.340 0.011 0.000 0.241 386 Q C 1.092 177.092 176.000 -0.001 0.000 0.849 386 Q CA 0.514 56.309 55.803 -0.012 0.000 1.053 386 Q CB 0.355 29.082 28.738 -0.018 0.000 1.146 386 Q HN 0.469 nan 8.270 nan 0.000 0.475 387 G N 0.602 109.403 108.800 0.001 0.000 2.162 387 G HA2 -0.254 3.712 3.960 0.011 0.000 0.260 387 G HA3 -0.254 3.712 3.960 0.011 0.000 0.260 387 G C 0.433 175.347 174.900 0.024 0.000 0.976 387 G CA 0.288 45.394 45.100 0.010 0.000 0.655 387 G HN 0.200 nan 8.290 nan 0.000 0.533 388 M N -0.553 119.063 119.600 0.027 0.000 2.197 388 M HA 0.514 5.000 4.480 0.011 0.000 0.305 388 M C 0.891 177.224 176.300 0.055 0.000 1.162 388 M CA -0.183 55.151 55.300 0.057 0.000 1.099 388 M CB 0.606 33.241 32.600 0.059 0.000 1.430 388 M HN 0.027 nan 8.290 nan 0.000 0.481 389 R N 1.696 122.254 120.500 0.096 0.000 2.585 389 R HA 0.357 4.703 4.340 0.011 0.000 0.278 389 R C -2.589 173.774 176.300 0.106 0.000 1.663 389 R CA -1.495 54.659 56.100 0.089 0.000 1.592 389 R CB 0.444 30.820 30.300 0.126 0.000 1.200 389 R HN 0.368 nan 8.270 nan 0.000 0.611 390 P HA 0.147 nan 4.420 nan 0.000 0.275 390 P C -0.208 177.095 177.300 0.004 0.000 1.228 390 P CA -0.266 62.867 63.100 0.055 0.000 0.786 390 P CB 1.528 33.192 31.700 -0.059 0.000 0.927 391 V N 3.725 123.669 119.914 0.050 0.000 2.407 391 V HA 0.144 4.270 4.120 0.011 0.000 0.291 391 V C 0.208 176.302 176.094 -0.001 0.000 1.018 391 V CA -0.759 61.551 62.300 0.017 0.000 0.842 391 V CB 2.036 33.937 31.823 0.131 0.000 0.996 391 V HN 0.247 nan 8.190 nan 0.000 0.426 392 V N 5.047 124.883 119.914 -0.130 0.000 2.368 392 V HA 0.533 4.659 4.120 0.011 0.000 0.266 392 V C 0.711 176.832 176.094 0.046 0.000 1.045 392 V CA -0.312 61.951 62.300 -0.062 0.000 0.899 392 V CB 1.330 33.062 31.823 -0.152 0.000 1.006 392 V HN 0.937 nan 8.190 nan 0.000 0.470 393 A N 7.282 130.159 122.820 0.096 0.000 2.279 393 A HA 0.788 5.115 4.320 0.011 0.000 0.306 393 A C -0.510 177.154 177.584 0.134 0.000 1.300 393 A CA -0.209 51.886 52.037 0.096 0.000 0.925 393 A CB 0.113 19.253 19.000 0.234 0.000 1.152 393 A HN 0.839 nan 8.150 nan 0.000 0.544 394 I N 1.959 122.613 120.570 0.140 0.000 2.752 394 I HA 0.376 4.552 4.170 0.011 0.000 0.295 394 I C -1.363 174.915 176.117 0.269 0.000 1.219 394 I CA -0.881 60.545 61.300 0.210 0.000 1.030 394 I CB 1.476 39.605 38.000 0.216 0.000 1.259 394 I HN 0.603 nan 8.210 nan 0.000 0.423 395 Y N 4.456 124.813 120.300 0.096 0.000 2.497 395 Y HA 0.037 4.592 4.550 0.008 0.000 0.334 395 Y C 1.679 177.528 175.900 -0.086 0.000 1.199 395 Y CA 0.154 58.228 58.100 -0.043 0.000 1.425 395 Y CB 1.017 39.414 38.460 -0.106 0.000 1.291 395 Y HN 0.680 nan 8.280 nan 0.000 0.562 396 S N 1.431 117.130 115.700 -0.001 0.000 2.369 396 S HA -0.290 4.187 4.470 0.011 0.000 0.225 396 S C 2.297 176.944 174.600 0.078 0.000 1.043 396 S CA 2.412 60.625 58.200 0.021 0.000 1.074 396 S CB -0.495 62.673 63.200 -0.054 0.000 0.962 396 S HN 0.936 nan 8.310 nan 0.000 0.433 397 T N -0.294 114.217 114.554 -0.072 0.000 2.778 397 T HA -0.092 4.265 4.350 0.011 0.000 0.269 397 T C 1.241 175.868 174.700 -0.121 0.000 1.050 397 T CA 1.735 63.779 62.100 -0.092 0.000 1.137 397 T CB -0.500 68.201 68.868 -0.280 0.000 0.860 397 T HN 0.485 nan 8.240 nan 0.000 0.468 398 F N 0.116 120.063 119.950 -0.005 0.000 2.698 398 F HA 0.353 4.885 4.527 0.009 0.000 0.295 398 F C 1.694 177.468 175.800 -0.043 0.000 1.124 398 F CA -0.531 57.363 58.000 -0.177 0.000 1.426 398 F CB -0.869 38.009 39.000 -0.203 0.000 1.120 398 F HN 0.149 nan 8.300 nan 0.000 0.583 399 L N 0.669 122.016 121.223 0.205 0.000 2.187 399 L HA -0.202 4.145 4.340 0.011 0.000 0.213 399 L C 2.085 179.024 176.870 0.115 0.000 1.100 399 L CA 1.770 56.730 54.840 0.200 0.000 0.765 399 L CB -0.985 41.227 42.059 0.255 0.000 0.904 399 L HN 0.208 nan 8.230 nan 0.000 0.437 400 Q N -1.059 118.771 119.800 0.050 0.000 2.135 400 Q HA -0.179 4.167 4.340 0.011 0.000 0.204 400 Q C 1.962 177.895 176.000 -0.111 0.000 0.981 400 Q CA 1.113 56.787 55.803 -0.214 0.000 0.856 400 Q CB -0.232 28.439 28.738 -0.111 0.000 0.902 400 Q HN 0.375 nan 8.270 nan 0.000 0.425 401 R N -0.165 120.336 120.500 0.001 0.000 2.341 401 R HA -0.038 4.309 4.340 0.011 0.000 0.213 401 R C 0.802 177.112 176.300 0.017 0.000 1.082 401 R CA 0.970 57.075 56.100 0.008 0.000 1.017 401 R CB 0.012 30.312 30.300 0.000 0.000 0.860 401 R HN 0.195 nan 8.270 nan 0.000 0.473 402 A N -1.170 121.670 122.820 0.034 0.000 2.609 402 A HA 0.056 4.382 4.320 0.011 0.000 0.286 402 A C 1.039 178.664 177.584 0.067 0.000 1.138 402 A CA -0.557 51.516 52.037 0.059 0.000 0.960 402 A CB -0.138 18.920 19.000 0.097 0.000 1.208 402 A HN 0.254 nan 8.150 nan 0.000 0.541 403 Y N 1.191 121.424 120.300 -0.111 0.000 2.081 403 Y HA -0.296 4.260 4.550 0.010 0.000 0.280 403 Y C 1.769 177.651 175.900 -0.030 0.000 1.163 403 Y CA 2.576 60.604 58.100 -0.120 0.000 1.135 403 Y CB -0.205 38.093 38.460 -0.270 0.000 0.970 403 Y HN 0.440 nan 8.280 nan 0.000 0.498 404 D N -0.917 119.439 120.400 -0.073 0.000 2.178 404 D HA -0.187 4.460 4.640 0.011 0.000 0.201 404 D C 1.904 178.165 176.300 -0.065 0.000 0.980 404 D CA 1.378 55.295 54.000 -0.139 0.000 0.842 404 D CB -0.012 40.754 40.800 -0.057 0.000 0.948 404 D HN 0.415 nan 8.370 nan 0.000 0.472 405 Q N -0.421 119.376 119.800 -0.006 0.000 2.046 405 Q HA -0.050 4.296 4.340 0.011 0.000 0.200 405 Q C 2.365 178.402 176.000 0.063 0.000 0.975 405 Q CA 0.902 56.736 55.803 0.052 0.000 0.836 405 Q CB -0.421 28.358 28.738 0.069 0.000 0.896 405 Q HN 0.205 nan 8.270 nan 0.000 0.428 406 V N 0.716 120.653 119.914 0.037 0.000 2.332 406 V HA -0.261 3.865 4.120 0.011 0.000 0.248 406 V C 2.103 178.179 176.094 -0.031 0.000 1.055 406 V CA 1.817 64.136 62.300 0.030 0.000 1.038 406 V CB -0.621 31.150 31.823 -0.087 0.000 0.651 406 V HN 0.352 nan 8.190 nan 0.000 0.450 407 L N -0.824 120.317 121.223 -0.137 0.000 2.023 407 L HA -0.148 4.199 4.340 0.011 0.000 0.205 407 L C 2.663 179.518 176.870 -0.024 0.000 1.073 407 L CA 1.995 56.748 54.840 -0.145 0.000 0.745 407 L CB -0.493 41.366 42.059 -0.333 0.000 0.900 407 L HN 0.477 nan 8.230 nan 0.000 0.435 408 H N -1.189 117.824 119.070 -0.096 0.000 2.451 408 H HA -0.046 4.516 4.556 0.011 0.000 0.294 408 H C 1.107 176.420 175.328 -0.026 0.000 1.028 408 H CA 1.190 57.205 56.048 -0.056 0.000 1.349 408 H CB 0.367 30.096 29.762 -0.057 0.000 1.444 408 H HN 0.401 nan 8.280 nan 0.000 0.538 409 D N 0.113 120.558 120.400 0.074 0.000 2.305 409 D HA 0.012 4.659 4.640 0.011 0.000 0.206 409 D C 1.897 178.192 176.300 -0.009 0.000 0.974 409 D CA 0.434 54.445 54.000 0.018 0.000 0.871 409 D CB 0.948 41.811 40.800 0.105 0.000 0.947 409 D HN 0.260 nan 8.370 nan 0.000 0.516 410 V N 0.412 120.340 119.914 0.024 0.000 2.996 410 V HA 0.173 4.300 4.120 0.011 0.000 0.235 410 V C 2.191 178.306 176.094 0.035 0.000 1.205 410 V CA 0.878 63.208 62.300 0.051 0.000 1.225 410 V CB 0.176 32.092 31.823 0.154 0.000 0.995 410 V HN 0.078 nan 8.190 nan 0.000 0.484 411 A N 0.285 123.120 122.820 0.025 0.000 1.897 411 A HA -0.081 4.245 4.320 0.011 0.000 0.215 411 A C 2.096 179.691 177.584 0.019 0.000 1.181 411 A CA 1.590 53.644 52.037 0.028 0.000 0.620 411 A CB -0.488 18.515 19.000 0.006 0.000 0.821 411 A HN 0.439 nan 8.150 nan 0.000 0.443 412 I N -0.174 120.374 120.570 -0.037 0.000 2.151 412 I HA -0.228 3.948 4.170 0.011 0.000 0.243 412 I C 1.692 177.795 176.117 -0.024 0.000 1.080 412 I CA 1.412 62.678 61.300 -0.056 0.000 1.339 412 I CB -0.127 37.792 38.000 -0.135 0.000 1.039 412 I HN 0.261 nan 8.210 nan 0.000 0.409 413 E N -0.566 119.624 120.200 -0.016 0.000 2.444 413 E HA -0.036 4.321 4.350 0.011 0.000 0.191 413 E C -0.343 176.319 176.600 0.103 0.000 1.041 413 E CA -0.127 56.285 56.400 0.019 0.000 0.883 413 E CB -0.282 29.412 29.700 -0.010 0.000 1.024 413 E HN 0.372 nan 8.360 nan 0.000 0.470 414 H N 0.039 119.088 119.070 -0.035 0.000 2.765 414 H HA -0.172 4.391 4.556 0.011 0.000 0.332 414 H C -0.874 174.448 175.328 -0.010 0.000 1.180 414 H CA 0.138 56.168 56.048 -0.029 0.000 1.142 414 H CB -1.898 27.844 29.762 -0.034 0.000 1.576 414 H HN 0.107 nan 8.280 nan 0.000 0.420 415 L N 1.209 122.402 121.223 -0.050 0.000 2.399 415 L HA 0.204 4.551 4.340 0.011 0.000 0.266 415 L C 1.200 178.026 176.870 -0.074 0.000 1.114 415 L CA -0.403 54.408 54.840 -0.049 0.000 0.804 415 L CB 0.749 42.797 42.059 -0.019 0.000 1.146 415 L HN 0.456 nan 8.230 nan 0.000 0.451 416 N N 0.943 119.616 118.700 -0.045 0.000 3.167 416 N HA 0.096 4.842 4.740 0.011 0.000 0.318 416 N C -0.984 174.510 175.510 -0.027 0.000 1.268 416 N CA -0.221 52.818 53.050 -0.019 0.000 1.197 416 N CB 0.037 38.523 38.487 -0.000 0.000 1.464 416 N HN 0.201 nan 8.380 nan 0.000 0.555 417 V N 0.593 120.477 119.914 -0.050 0.000 2.435 417 V HA 0.318 4.445 4.120 0.011 0.000 0.290 417 V C 0.413 176.402 176.094 -0.175 0.000 1.030 417 V CA -0.590 61.608 62.300 -0.171 0.000 0.881 417 V CB 1.830 33.490 31.823 -0.272 0.000 0.983 417 V HN 0.173 nan 8.190 nan 0.000 0.445 418 T N 5.382 119.804 114.554 -0.221 0.000 2.797 418 T HA 0.638 4.995 4.350 0.011 0.000 0.279 418 T C -0.775 173.777 174.700 -0.247 0.000 0.991 418 T CA -0.062 61.991 62.100 -0.078 0.000 0.979 418 T CB 0.630 69.504 68.868 0.010 0.000 0.943 418 T HN 0.315 nan 8.240 nan 0.000 0.444 419 F N 1.650 121.664 119.950 0.108 0.000 2.375 419 F HA 0.375 4.909 4.527 0.011 0.000 0.361 419 F C 0.310 176.138 175.800 0.048 0.000 1.117 419 F CA -1.015 57.028 58.000 0.072 0.000 1.037 419 F CB 0.609 39.653 39.000 0.073 0.000 1.192 419 F HN 0.425 nan 8.300 nan 0.000 0.452 420 C N 5.630 124.984 119.300 0.091 0.000 2.225 420 C HA 0.509 4.975 4.460 0.011 0.000 0.328 420 C C 0.495 175.394 174.990 -0.152 0.000 1.187 420 C CA -0.969 58.026 59.018 -0.039 0.000 1.665 420 C CB -1.118 26.367 27.740 -0.424 0.000 2.253 420 C HN 0.603 nan 8.230 nan 0.000 0.497 421 I N 3.884 124.311 120.570 -0.238 0.000 2.307 421 I HA 0.188 4.365 4.170 0.011 0.000 0.287 421 I C 0.524 176.121 176.117 -0.866 0.000 1.054 421 I CA 0.309 61.406 61.300 -0.339 0.000 1.218 421 I CB 0.102 37.982 38.000 -0.200 0.000 1.398 421 I HN 0.609 nan 8.210 nan 0.000 0.475 422 D N 5.202 125.203 120.400 -0.665 0.000 2.433 422 D HA 0.193 4.840 4.640 0.011 0.000 0.255 422 D C 0.733 176.665 176.300 -0.612 0.000 1.226 422 D CA -0.194 53.354 54.000 -0.753 0.000 1.015 422 D CB 0.793 41.433 40.800 -0.267 0.000 1.091 422 D HN 0.237 nan 8.370 nan 0.000 0.527 423 R N -1.101 119.024 120.500 -0.625 0.000 3.701 423 R HA -0.181 4.165 4.340 0.011 0.000 0.276 423 R C -0.422 175.682 176.300 -0.328 0.000 1.150 423 R CA 0.535 56.334 56.100 -0.502 0.000 0.763 423 R CB -2.816 27.058 30.300 -0.710 0.000 1.147 423 R HN 0.405 nan 8.270 nan 0.000 0.489 424 A N 0.212 122.818 122.820 -0.356 0.000 2.520 424 A HA 0.499 4.826 4.320 0.011 0.000 0.245 424 A C 1.363 178.828 177.584 -0.199 0.000 1.072 424 A CA 0.957 52.830 52.037 -0.273 0.000 0.761 424 A CB 0.211 19.015 19.000 -0.326 0.000 1.004 424 A HN 1.234 nan 8.150 nan 0.000 0.499 425 G N 1.045 109.756 108.800 -0.147 0.000 2.660 425 G HA2 -0.040 3.926 3.960 0.011 0.000 0.247 425 G HA3 -0.040 3.926 3.960 0.011 0.000 0.247 425 G C -0.206 174.665 174.900 -0.048 0.000 1.328 425 G CA -0.507 44.541 45.100 -0.088 0.000 0.884 425 G HN 1.076 nan 8.290 nan 0.000 0.531 426 I N 1.641 122.221 120.570 0.016 0.000 2.742 426 I HA 0.031 4.207 4.170 0.011 0.000 0.287 426 I C 2.167 178.274 176.117 -0.017 0.000 1.186 426 I CA 1.023 62.322 61.300 -0.001 0.000 1.417 426 I CB 0.334 38.307 38.000 -0.045 0.000 1.377 426 I HN 1.043 nan 8.210 nan 0.000 0.556 427 V N 4.160 124.080 119.914 0.009 0.000 3.506 427 V HA 0.396 4.523 4.120 0.011 0.000 0.263 427 V C 1.248 177.361 176.094 0.033 0.000 1.203 427 V CA 0.855 63.166 62.300 0.018 0.000 1.133 427 V CB -0.307 31.551 31.823 0.057 0.000 0.802 427 V HN 1.057 nan 8.190 nan 0.000 0.459 428 G N 0.800 109.621 108.800 0.035 0.000 2.972 428 G HA2 -0.221 3.745 3.960 0.011 0.000 0.265 428 G HA3 -0.221 3.745 3.960 0.011 0.000 0.265 428 G C 1.209 176.166 174.900 0.096 0.000 1.506 428 G CA 0.648 45.771 45.100 0.038 0.000 1.016 428 G HN 1.405 nan 8.290 nan 0.000 0.563 429 A N -0.118 122.750 122.820 0.080 0.000 2.019 429 A HA 0.100 4.426 4.320 0.011 0.000 0.219 429 A C 1.813 179.466 177.584 0.116 0.000 1.164 429 A CA 2.539 54.626 52.037 0.084 0.000 0.644 429 A CB -0.508 18.502 19.000 0.016 0.000 0.805 429 A HN 0.568 nan 8.150 nan 0.000 0.449 430 D N -0.603 119.887 120.400 0.149 0.000 2.371 430 D HA 0.254 4.901 4.640 0.011 0.000 0.221 430 D C 1.463 177.982 176.300 0.364 0.000 0.986 430 D CA 1.111 55.270 54.000 0.265 0.000 0.899 430 D CB -0.296 40.557 40.800 0.088 0.000 0.902 430 D HN 0.590 nan 8.370 nan 0.000 0.530 431 G N 0.876 109.857 108.800 0.302 0.000 2.601 431 G HA2 -0.299 3.667 3.960 0.011 0.000 0.261 431 G HA3 -0.299 3.667 3.960 0.011 0.000 0.261 431 G C 1.253 176.308 174.900 0.258 0.000 1.289 431 G CA 0.742 46.022 45.100 0.300 0.000 0.920 431 G HN 0.390 nan 8.290 nan 0.000 0.571 432 A N -1.505 121.442 122.820 0.212 0.000 1.940 432 A HA -0.094 4.233 4.320 0.011 0.000 0.221 432 A C 2.774 180.419 177.584 0.103 0.000 1.190 432 A CA 4.085 56.225 52.037 0.172 0.000 0.647 432 A CB -1.369 17.654 19.000 0.039 0.000 0.821 432 A HN 2.529 nan 8.150 nan 0.000 0.457 433 T N -4.971 109.614 114.554 0.052 0.000 3.113 433 T HA -0.029 4.327 4.350 0.011 0.000 0.263 433 T C 1.282 175.980 174.700 -0.003 0.000 1.143 433 T CA 1.749 63.803 62.100 -0.077 0.000 1.090 433 T CB -0.338 68.451 68.868 -0.131 0.000 0.922 433 T HN 0.623 nan 8.240 nan 0.000 0.521 434 H N -0.086 119.031 119.070 0.078 0.000 3.255 434 H HA 0.401 4.963 4.556 0.011 0.000 0.256 434 H C 0.154 175.529 175.328 0.078 0.000 1.049 434 H CA -0.717 55.389 56.048 0.097 0.000 1.202 434 H CB 0.140 29.990 29.762 0.147 0.000 1.497 434 H HN 0.392 nan 8.280 nan 0.000 0.503 435 N N 0.944 119.771 118.700 0.212 0.000 2.411 435 N HA 0.105 4.852 4.740 0.011 0.000 0.265 435 N C 0.469 176.029 175.510 0.083 0.000 1.266 435 N CA 0.242 53.362 53.050 0.117 0.000 0.889 435 N CB 0.847 39.391 38.487 0.096 0.000 1.069 435 N HN 0.321 nan 8.380 nan 0.000 0.476 436 G N 1.439 110.241 108.800 0.004 0.000 3.506 436 G HA2 0.267 4.234 3.960 0.011 0.000 0.268 436 G HA3 0.267 4.234 3.960 0.011 0.000 0.268 436 G C 0.793 175.639 174.900 -0.090 0.000 0.959 436 G CA -0.525 44.579 45.100 0.006 0.000 1.823 436 G HN 0.542 nan 8.290 nan 0.000 0.615 437 V N -2.061 117.692 119.914 -0.268 0.000 3.376 437 V HA 0.448 4.575 4.120 0.011 0.000 0.313 437 V C 0.858 176.587 176.094 -0.607 0.000 1.393 437 V CA -0.139 61.874 62.300 -0.478 0.000 1.125 437 V CB -1.131 30.352 31.823 -0.567 0.000 1.037 437 V HN 0.310 nan 8.190 nan 0.000 0.440 438 F N 1.422 121.395 119.950 0.039 0.000 2.706 438 F HA 0.256 4.789 4.527 0.010 0.000 0.308 438 F C 2.130 177.841 175.800 -0.147 0.000 1.095 438 F CA 0.183 58.220 58.000 0.062 0.000 1.244 438 F CB 0.111 39.247 39.000 0.227 0.000 1.063 438 F HN 0.246 nan 8.300 nan 0.000 0.582 439 D N 1.500 121.778 120.400 -0.204 0.000 2.144 439 D HA -0.164 4.483 4.640 0.011 0.000 0.200 439 D C 1.773 177.694 176.300 -0.632 0.000 0.978 439 D CA 1.207 54.717 54.000 -0.817 0.000 0.833 439 D CB -0.479 40.059 40.800 -0.437 0.000 0.961 439 D HN 0.325 nan 8.370 nan 0.000 0.470 440 L N 0.706 121.750 121.223 -0.299 0.000 2.349 440 L HA -0.120 4.227 4.340 0.011 0.000 0.220 440 L C 2.527 179.325 176.870 -0.119 0.000 1.130 440 L CA 0.727 55.467 54.840 -0.166 0.000 0.791 440 L CB -0.247 41.764 42.059 -0.080 0.000 0.918 440 L HN 0.057 nan 8.230 nan 0.000 0.444 441 S N 0.026 115.649 115.700 -0.129 0.000 2.384 441 S HA -0.041 4.435 4.470 0.011 0.000 0.217 441 S C 1.643 176.254 174.600 0.019 0.000 1.041 441 S CA 0.614 58.808 58.200 -0.009 0.000 0.948 441 S CB -0.235 63.010 63.200 0.076 0.000 0.872 441 S HN 0.509 nan 8.310 nan 0.000 0.512 442 F N 1.943 121.928 119.950 0.059 0.000 2.407 442 F HA 0.239 4.772 4.527 0.010 0.000 0.299 442 F C 1.597 177.502 175.800 0.175 0.000 1.097 442 F CA 0.558 58.593 58.000 0.058 0.000 1.422 442 F CB -0.823 38.106 39.000 -0.119 0.000 1.067 442 F HN 0.044 nan 8.300 nan 0.000 0.539 443 L N 0.001 121.120 121.223 -0.173 0.000 2.131 443 L HA -0.016 4.331 4.340 0.011 0.000 0.206 443 L C 2.850 179.743 176.870 0.039 0.000 1.087 443 L CA 0.931 55.757 54.840 -0.023 0.000 0.767 443 L CB -0.625 41.333 42.059 -0.169 0.000 0.917 443 L HN 0.118 nan 8.230 nan 0.000 0.441 444 R N -0.343 120.171 120.500 0.024 0.000 2.105 444 R HA -0.157 4.189 4.340 0.011 0.000 0.239 444 R C 2.423 178.769 176.300 0.076 0.000 1.135 444 R CA 1.528 57.661 56.100 0.055 0.000 0.967 444 R CB -0.125 30.207 30.300 0.055 0.000 0.861 444 R HN 0.165 nan 8.270 nan 0.000 0.442 445 S N 0.176 115.943 115.700 0.112 0.000 2.447 445 S HA 0.033 4.510 4.470 0.011 0.000 0.233 445 S C 0.694 175.357 174.600 0.104 0.000 1.006 445 S CA 0.387 58.660 58.200 0.121 0.000 0.957 445 S CB 0.002 63.309 63.200 0.178 0.000 0.773 445 S HN 0.170 nan 8.310 nan 0.000 0.507 446 I N 3.163 123.792 120.570 0.098 0.000 2.396 446 I HA 0.184 4.361 4.170 0.011 0.000 0.289 446 I C -2.463 173.670 176.117 0.026 0.000 1.056 446 I CA -2.369 58.958 61.300 0.045 0.000 1.365 446 I CB 0.581 38.591 38.000 0.017 0.000 1.407 446 I HN -0.092 nan 8.210 nan 0.000 0.509 447 P HA 0.046 nan 4.420 nan 0.000 0.263 447 P C 0.893 178.202 177.300 0.015 0.000 1.195 447 P CA 0.594 63.697 63.100 0.005 0.000 0.762 447 P CB 0.654 32.349 31.700 -0.008 0.000 0.799 448 G N 1.608 110.415 108.800 0.012 0.000 2.176 448 G HA2 -0.214 3.753 3.960 0.011 0.000 0.253 448 G HA3 -0.214 3.753 3.960 0.011 0.000 0.253 448 G C 0.029 174.928 174.900 -0.002 0.000 0.979 448 G CA -0.201 44.937 45.100 0.064 0.000 0.641 448 G HN 0.536 nan 8.290 nan 0.000 0.530 449 V N 1.647 121.544 119.914 -0.029 0.000 2.385 449 V HA 0.548 4.674 4.120 0.011 0.000 0.269 449 V C 0.914 176.962 176.094 -0.077 0.000 1.043 449 V CA -0.345 61.911 62.300 -0.073 0.000 0.906 449 V CB 1.143 32.940 31.823 -0.044 0.000 0.995 449 V HN 0.399 nan 8.190 nan 0.000 0.467 450 R N 4.477 124.862 120.500 -0.192 0.000 2.536 450 R HA 0.758 5.105 4.340 0.011 0.000 0.279 450 R C -0.878 175.578 176.300 0.259 0.000 1.001 450 R CA -0.475 55.593 56.100 -0.053 0.000 1.027 450 R CB 1.588 31.578 30.300 -0.517 0.000 1.096 450 R HN 0.613 nan 8.270 nan 0.000 0.502 451 I N 1.015 121.910 120.570 0.541 0.000 2.500 451 I HA 0.398 4.575 4.170 0.011 0.000 0.286 451 I C -0.048 176.407 176.117 0.564 0.000 1.063 451 I CA -0.654 60.929 61.300 0.472 0.000 1.062 451 I CB 2.314 40.444 38.000 0.217 0.000 1.223 451 I HN 0.672 nan 8.210 nan 0.000 0.435 452 G N 5.873 114.941 108.800 0.448 0.000 2.473 452 G HA2 0.798 4.765 3.960 0.011 0.000 0.321 452 G HA3 0.798 4.765 3.960 0.011 0.000 0.321 452 G C -1.471 173.330 174.900 -0.165 0.000 1.200 452 G CA -0.492 44.566 45.100 -0.069 0.000 0.963 452 G HN 0.270 nan 8.290 nan 0.000 0.483 453 L N 2.441 123.435 121.223 -0.381 0.000 2.377 453 L HA 0.398 4.745 4.340 0.011 0.000 0.270 453 L C -2.199 174.441 176.870 -0.383 0.000 0.991 453 L CA -1.812 52.823 54.840 -0.340 0.000 0.851 453 L CB 2.149 43.983 42.059 -0.375 0.000 1.218 453 L HN 0.290 nan 8.230 nan 0.000 0.420 454 P HA 0.151 nan 4.420 nan 0.000 0.276 454 P C 0.215 177.459 177.300 -0.093 0.000 1.243 454 P CA -0.557 62.429 63.100 -0.190 0.000 0.768 454 P CB 0.826 32.491 31.700 -0.058 0.000 0.856 455 K N 2.794 123.142 120.400 -0.086 0.000 2.152 455 K HA -0.147 4.180 4.320 0.011 0.000 0.206 455 K C 0.260 176.972 176.600 0.187 0.000 1.048 455 K CA 1.406 57.687 56.287 -0.011 0.000 0.933 455 K CB -0.335 32.127 32.500 -0.064 0.000 0.721 455 K HN 0.512 nan 8.250 nan 0.000 0.447 456 D N -2.634 117.908 120.400 0.237 0.000 2.851 456 D HA 0.243 4.889 4.640 0.011 0.000 0.339 456 D C 0.229 176.598 176.300 0.115 0.000 1.347 456 D CA -0.198 53.912 54.000 0.183 0.000 0.888 456 D CB 0.339 41.127 40.800 -0.021 0.000 1.431 456 D HN -0.095 nan 8.370 nan 0.000 0.509 457 A N -0.322 122.428 122.820 -0.117 0.000 2.015 457 A HA 0.296 4.622 4.320 0.011 0.000 0.219 457 A C 2.028 179.569 177.584 -0.072 0.000 1.163 457 A CA 2.290 54.273 52.037 -0.091 0.000 0.646 457 A CB -1.132 17.764 19.000 -0.174 0.000 0.806 457 A HN 0.738 nan 8.150 nan 0.000 0.448 458 A N -0.514 122.258 122.820 -0.079 0.000 1.929 458 A HA -0.078 4.249 4.320 0.011 0.000 0.216 458 A C 1.967 179.531 177.584 -0.033 0.000 1.176 458 A CA 1.513 53.499 52.037 -0.086 0.000 0.628 458 A CB -0.365 18.593 19.000 -0.071 0.000 0.816 458 A HN 0.583 nan 8.150 nan 0.000 0.444 459 E N -0.704 119.494 120.200 -0.002 0.000 2.152 459 E HA -0.125 4.231 4.350 0.011 0.000 0.192 459 E C 1.865 178.485 176.600 0.034 0.000 0.983 459 E CA 0.776 57.181 56.400 0.008 0.000 0.818 459 E CB -0.116 29.567 29.700 -0.028 0.000 0.758 459 E HN 0.452 nan 8.360 nan 0.000 0.467 460 L N 1.349 122.612 121.223 0.065 0.000 2.013 460 L HA -0.218 4.129 4.340 0.011 0.000 0.212 460 L C 2.105 179.036 176.870 0.101 0.000 1.073 460 L CA 1.829 56.719 54.840 0.083 0.000 0.753 460 L CB -0.223 41.902 42.059 0.110 0.000 0.890 460 L HN -0.029 nan 8.230 nan 0.000 0.432 461 R N -0.800 119.722 120.500 0.037 0.000 2.115 461 R HA -0.061 4.286 4.340 0.011 0.000 0.230 461 R C 2.211 178.671 176.300 0.268 0.000 1.111 461 R CA 1.023 57.141 56.100 0.028 0.000 0.976 461 R CB -0.810 29.241 30.300 -0.414 0.000 0.870 461 R HN 0.599 nan 8.270 nan 0.000 0.445 462 G N 0.756 109.672 108.800 0.194 0.000 2.414 462 G HA2 -0.253 3.714 3.960 0.011 0.000 0.215 462 G HA3 -0.253 3.714 3.960 0.011 0.000 0.215 462 G C 1.411 176.489 174.900 0.296 0.000 1.188 462 G CA 0.620 45.873 45.100 0.256 0.000 0.783 462 G HN 0.122 nan 8.290 nan 0.000 0.537 463 M N -0.285 119.463 119.600 0.246 0.000 2.065 463 M HA -0.034 4.452 4.480 0.011 0.000 0.259 463 M C 2.491 178.983 176.300 0.321 0.000 1.069 463 M CA 1.115 56.635 55.300 0.366 0.000 1.110 463 M CB -0.479 32.278 32.600 0.262 0.000 1.328 463 M HN 0.249 nan 8.290 nan 0.000 0.405 464 L N 0.699 122.048 121.223 0.210 0.000 2.129 464 L HA -0.215 4.131 4.340 0.011 0.000 0.212 464 L C 2.316 179.076 176.870 -0.183 0.000 1.087 464 L CA 1.920 56.797 54.840 0.061 0.000 0.757 464 L CB -0.675 41.461 42.059 0.128 0.000 0.896 464 L HN 0.214 nan 8.230 nan 0.000 0.434 465 K N -1.958 118.438 120.400 -0.007 0.000 2.025 465 K HA -0.243 4.084 4.320 0.011 0.000 0.207 465 K C 2.248 178.859 176.600 0.017 0.000 1.049 465 K CA 1.670 57.918 56.287 -0.065 0.000 0.933 465 K CB -0.450 32.236 32.500 0.308 0.000 0.714 465 K HN 0.360 nan 8.250 nan 0.000 0.438 466 Y N 0.958 121.283 120.300 0.041 0.000 2.070 466 Y HA -0.295 4.261 4.550 0.010 0.000 0.280 466 Y C 2.189 177.891 175.900 -0.330 0.000 1.148 466 Y CA 2.110 60.218 58.100 0.013 0.000 1.125 466 Y CB -0.488 38.015 38.460 0.072 0.000 0.975 466 Y HN 0.213 nan 8.280 nan 0.000 0.492 467 A N -0.427 122.136 122.820 -0.429 0.000 1.917 467 A HA -0.322 4.005 4.320 0.011 0.000 0.219 467 A C 2.043 179.402 177.584 -0.375 0.000 1.182 467 A CA 2.152 53.672 52.037 -0.861 0.000 0.633 467 A CB -0.852 17.914 19.000 -0.390 0.000 0.819 467 A HN 0.563 nan 8.150 nan 0.000 0.448 468 Q N -0.729 118.886 119.800 -0.307 0.000 2.472 468 Q HA -0.022 4.325 4.340 0.011 0.000 0.208 468 Q C 1.244 177.211 176.000 -0.054 0.000 0.958 468 Q CA 1.582 57.240 55.803 -0.242 0.000 0.932 468 Q CB -0.123 28.173 28.738 -0.737 0.000 1.007 468 Q HN 0.779 nan 8.270 nan 0.000 0.508 469 T N -3.350 111.139 114.554 -0.108 0.000 3.275 469 T HA 0.271 4.627 4.350 0.011 0.000 0.298 469 T C -0.053 174.366 174.700 -0.469 0.000 0.988 469 T CA -0.563 61.445 62.100 -0.152 0.000 0.936 469 T CB 0.049 68.864 68.868 -0.090 0.000 1.159 469 T HN 0.068 nan 8.240 nan 0.000 0.519 470 H N 1.568 120.491 119.070 -0.245 0.000 2.895 470 H HA 0.459 5.021 4.556 0.011 0.000 0.373 470 H C -1.221 174.137 175.328 0.050 0.000 1.174 470 H CA -0.835 55.115 56.048 -0.163 0.000 1.144 470 H CB 2.215 31.772 29.762 -0.341 0.000 1.793 470 H HN 0.434 nan 8.280 nan 0.000 0.551 471 D N -0.079 120.441 120.400 0.200 0.000 2.312 471 D HA 0.461 5.107 4.640 0.011 0.000 0.248 471 D C 0.818 177.110 176.300 -0.014 0.000 1.086 471 D CA 0.116 54.185 54.000 0.115 0.000 0.948 471 D CB 1.333 42.178 40.800 0.074 0.000 1.162 471 D HN 0.885 nan 8.370 nan 0.000 0.446 472 G N 0.239 108.844 108.800 -0.324 0.000 2.712 472 G HA2 0.003 3.970 3.960 0.011 0.000 0.683 472 G HA3 0.003 3.970 3.960 0.011 0.000 0.683 472 G C -2.936 171.727 174.900 -0.395 0.000 1.320 472 G CA -0.666 43.864 45.100 -0.951 0.000 0.847 472 G HN 0.668 nan 8.290 nan 0.000 0.553 473 P HA 0.711 nan 4.420 nan 0.000 0.276 473 P C -0.885 176.241 177.300 -0.290 0.000 1.244 473 P CA -0.148 62.899 63.100 -0.089 0.000 0.801 473 P CB 0.704 32.442 31.700 0.063 0.000 1.006 474 F N -0.280 119.709 119.950 0.065 0.000 2.608 474 F HA 0.549 5.083 4.527 0.011 0.000 0.309 474 F C -0.409 175.542 175.800 0.251 0.000 1.103 474 F CA -0.593 57.408 58.000 0.002 0.000 0.954 474 F CB 2.068 40.962 39.000 -0.176 0.000 1.267 474 F HN 0.291 nan 8.300 nan 0.000 0.444 475 A N 4.136 127.212 122.820 0.426 0.000 2.330 475 A HA 0.875 5.201 4.320 0.011 0.000 0.313 475 A C -1.171 176.643 177.584 0.382 0.000 1.124 475 A CA -0.514 51.745 52.037 0.370 0.000 0.774 475 A CB 0.718 19.803 19.000 0.141 0.000 1.198 475 A HN 0.682 nan 8.150 nan 0.000 0.465 476 I N 3.004 123.766 120.570 0.321 0.000 2.382 476 I HA 0.450 4.626 4.170 0.011 0.000 0.286 476 I C 0.282 176.479 176.117 0.134 0.000 1.002 476 I CA -0.506 60.956 61.300 0.269 0.000 1.135 476 I CB 1.606 39.794 38.000 0.313 0.000 1.288 476 I HN 0.849 nan 8.210 nan 0.000 0.448 477 R N 6.503 127.009 120.500 0.010 0.000 2.637 477 R HA 0.765 5.111 4.340 0.011 0.000 0.291 477 R C -1.717 174.440 176.300 -0.240 0.000 0.963 477 R CA -0.683 55.293 56.100 -0.208 0.000 0.901 477 R CB 1.494 31.665 30.300 -0.216 0.000 1.160 477 R HN 0.569 nan 8.270 nan 0.000 0.457 478 Y N -1.323 118.735 120.300 -0.404 0.000 2.581 478 Y HA 0.662 5.218 4.550 0.009 0.000 0.337 478 Y C -3.054 172.482 175.900 -0.606 0.000 1.108 478 Y CA -3.358 54.319 58.100 -0.706 0.000 1.033 478 Y CB 1.209 39.064 38.460 -1.008 0.000 1.318 478 Y HN 0.459 nan 8.280 nan 0.000 0.459 479 P HA 0.272 nan 4.420 nan 0.000 0.277 479 P C -0.857 176.390 177.300 -0.088 0.000 1.271 479 P CA -0.697 62.236 63.100 -0.278 0.000 0.795 479 P CB 0.737 32.342 31.700 -0.159 0.000 1.101 480 R N 0.260 120.740 120.500 -0.033 0.000 2.370 480 R HA 0.502 4.848 4.340 0.011 0.000 0.309 480 R C 0.391 176.796 176.300 0.174 0.000 1.059 480 R CA 0.818 56.954 56.100 0.060 0.000 0.981 480 R CB -0.764 29.536 30.300 -0.001 0.000 0.972 480 R HN 0.843 nan 8.270 nan 0.000 0.437 481 G N 2.615 111.580 108.800 0.275 0.000 2.339 481 G HA2 -0.062 3.904 3.960 0.011 0.000 0.275 481 G HA3 -0.062 3.904 3.960 0.011 0.000 0.275 481 G C -1.877 173.150 174.900 0.212 0.000 1.323 481 G CA -0.915 44.334 45.100 0.248 0.000 0.927 481 G HN 0.585 nan 8.290 nan 0.000 0.486 482 N N -0.140 118.581 118.700 0.035 0.000 2.312 482 N HA 0.802 5.549 4.740 0.011 0.000 0.296 482 N C -0.664 174.580 175.510 -0.442 0.000 1.193 482 N CA -0.117 52.819 53.050 -0.191 0.000 0.773 482 N CB 1.960 40.410 38.487 -0.061 0.000 1.435 482 N HN 0.937 nan 8.380 nan 0.000 0.484 483 T N -2.844 111.335 114.554 -0.625 0.000 2.906 483 T HA 0.742 5.098 4.350 0.011 0.000 0.295 483 T C -0.021 174.504 174.700 -0.291 0.000 1.075 483 T CA -0.950 60.827 62.100 -0.537 0.000 1.005 483 T CB 1.501 69.826 68.868 -0.905 0.000 1.136 483 T HN 0.619 nan 8.240 nan 0.000 0.498 484 A N 1.601 124.265 122.820 -0.259 0.000 2.587 484 A HA 0.254 4.581 4.320 0.011 0.000 0.235 484 A C 0.739 178.079 177.584 -0.408 0.000 1.044 484 A CA -0.007 51.868 52.037 -0.270 0.000 0.754 484 A CB -0.480 18.392 19.000 -0.214 0.000 0.968 484 A HN 0.966 nan 8.150 nan 0.000 0.509 485 Q N 1.158 120.540 119.800 -0.697 0.000 2.700 485 Q HA 0.410 4.757 4.340 0.011 0.000 0.232 485 Q C -0.666 175.060 176.000 -0.457 0.000 1.110 485 Q CA 0.479 55.700 55.803 -0.971 0.000 1.026 485 Q CB 0.404 28.485 28.738 -1.094 0.000 1.311 485 Q HN 0.672 nan 8.270 nan 0.000 0.583 486 V N 1.954 121.657 119.914 -0.353 0.000 3.077 486 V HA 0.400 4.527 4.120 0.011 0.000 0.299 486 V C -2.454 173.533 176.094 -0.179 0.000 1.276 486 V CA -1.611 60.553 62.300 -0.226 0.000 0.993 486 V CB 2.286 33.986 31.823 -0.205 0.000 1.076 486 V HN 0.907 nan 8.190 nan 0.000 0.434 487 P HA 0.342 nan 4.420 nan 0.000 0.268 487 P C -0.529 176.718 177.300 -0.089 0.000 1.205 487 P CA 0.006 63.049 63.100 -0.096 0.000 0.771 487 P CB 0.507 32.164 31.700 -0.071 0.000 0.858 488 A N 2.446 125.240 122.820 -0.043 0.000 2.531 488 A HA 0.409 4.735 4.320 0.011 0.000 0.236 488 A C 1.520 179.120 177.584 0.027 0.000 1.062 488 A CA 0.744 52.781 52.037 0.002 0.000 0.760 488 A CB -1.242 17.782 19.000 0.041 0.000 0.995 488 A HN 0.928 nan 8.150 nan 0.000 0.501 489 G N 1.551 110.404 108.800 0.088 0.000 2.176 489 G HA2 -0.210 3.756 3.960 0.011 0.000 0.253 489 G HA3 -0.210 3.756 3.960 0.011 0.000 0.253 489 G C 0.433 175.372 174.900 0.065 0.000 0.979 489 G CA 0.453 45.682 45.100 0.216 0.000 0.641 489 G HN 1.248 nan 8.290 nan 0.000 0.530 490 T N 0.567 114.973 114.554 -0.246 0.000 2.754 490 T HA 0.358 4.714 4.350 0.011 0.000 0.282 490 T C -0.213 174.126 174.700 -0.601 0.000 0.923 490 T CA 0.674 62.600 62.100 -0.290 0.000 1.164 490 T CB -0.068 68.634 68.868 -0.277 0.000 0.873 490 T HN 0.374 nan 8.240 nan 0.000 0.537 491 W N 4.695 126.065 121.300 0.116 0.000 1.949 491 W HA 0.300 4.966 4.660 0.010 0.000 0.299 491 W C -2.531 174.072 176.519 0.140 0.000 0.959 491 W CA -1.935 55.503 57.345 0.155 0.000 1.665 491 W CB 0.240 29.826 29.460 0.209 0.000 1.829 491 W HN 0.442 nan 8.180 nan 0.000 0.375 492 P HA -0.014 nan 4.420 nan 0.000 0.267 492 P C -0.044 177.407 177.300 0.253 0.000 1.200 492 P CA 0.499 63.720 63.100 0.202 0.000 0.772 492 P CB 0.930 32.709 31.700 0.132 0.000 0.855 493 D N 1.864 122.395 120.400 0.219 0.000 2.232 493 D HA 0.358 5.005 4.640 0.011 0.000 0.242 493 D C -0.228 176.203 176.300 0.217 0.000 1.093 493 D CA 0.016 54.160 54.000 0.240 0.000 0.845 493 D CB 0.666 41.591 40.800 0.209 0.000 1.124 493 D HN 0.109 nan 8.370 nan 0.000 0.467 494 L N -0.864 120.514 121.223 0.259 0.000 2.371 494 L HA 0.598 4.945 4.340 0.011 0.000 0.262 494 L C -0.372 176.604 176.870 0.178 0.000 1.006 494 L CA -0.976 53.983 54.840 0.198 0.000 0.818 494 L CB 1.233 43.400 42.059 0.181 0.000 1.354 494 L HN -0.038 nan 8.230 nan 0.000 0.415 495 K N 2.242 122.690 120.400 0.081 0.000 2.267 495 K HA 0.176 4.502 4.320 0.011 0.000 0.282 495 K C -0.931 175.493 176.600 -0.293 0.000 1.078 495 K CA -0.290 55.992 56.287 -0.010 0.000 0.903 495 K CB 0.635 33.148 32.500 0.022 0.000 1.111 495 K HN 0.618 nan 8.250 nan 0.000 0.475 496 W N 3.242 124.039 121.300 -0.838 0.000 2.489 496 W HA 0.004 4.670 4.660 0.010 0.000 0.327 496 W C 0.636 176.520 176.519 -1.060 0.000 1.436 496 W CA 1.783 58.386 57.345 -1.236 0.000 1.315 496 W CB 0.207 28.806 29.460 -1.435 0.000 1.373 496 W HN 0.970 nan 8.180 nan 0.000 0.557 497 G N 3.701 111.338 108.800 -1.939 0.000 2.201 497 G HA2 -0.243 3.724 3.960 0.011 0.000 0.212 497 G HA3 -0.243 3.724 3.960 0.011 0.000 0.212 497 G C -0.012 174.614 174.900 -0.456 0.000 0.994 497 G CA -0.377 44.178 45.100 -0.909 0.000 0.644 497 G HN 0.523 nan 8.290 nan 0.000 0.508 498 E N 0.494 120.506 120.200 -0.314 0.000 2.229 498 E HA 0.339 4.696 4.350 0.011 0.000 0.283 498 E C 0.030 176.825 176.600 0.326 0.000 1.030 498 E CA -0.809 55.577 56.400 -0.023 0.000 0.836 498 E CB 0.698 30.401 29.700 0.006 0.000 1.068 498 E HN 0.270 nan 8.360 nan 0.000 0.401 499 W N 1.763 123.133 121.300 0.116 0.000 2.129 499 W HA 0.183 4.849 4.660 0.011 0.000 0.349 499 W C 0.597 177.142 176.519 0.044 0.000 1.279 499 W CA -0.482 56.916 57.345 0.088 0.000 1.306 499 W CB 0.286 29.789 29.460 0.072 0.000 1.140 499 W HN 0.315 nan 8.180 nan 0.000 0.613 500 E N 1.122 121.453 120.200 0.219 0.000 2.171 500 E HA 0.279 4.635 4.350 0.011 0.000 0.271 500 E C -0.191 176.466 176.600 0.095 0.000 0.916 500 E CA -1.120 55.354 56.400 0.122 0.000 0.774 500 E CB 1.602 31.339 29.700 0.061 0.000 1.128 500 E HN 0.182 nan 8.360 nan 0.000 0.403 501 R N 2.073 122.627 120.500 0.090 0.000 2.537 501 R HA 0.085 4.432 4.340 0.011 0.000 0.280 501 R C 0.558 176.876 176.300 0.029 0.000 1.058 501 R CA -0.027 56.109 56.100 0.060 0.000 1.057 501 R CB 0.529 30.865 30.300 0.061 0.000 0.973 501 R HN 0.252 nan 8.270 nan 0.000 0.438 502 L N 2.316 123.546 121.223 0.011 0.000 2.803 502 L HA 0.286 4.632 4.340 0.011 0.000 0.246 502 L C -0.178 176.691 176.870 -0.000 0.000 1.100 502 L CA 1.006 55.844 54.840 -0.002 0.000 0.919 502 L CB 0.201 42.247 42.059 -0.023 0.000 1.285 502 L HN 0.426 nan 8.230 nan 0.000 0.522 503 K N -0.868 119.534 120.400 0.004 0.000 2.501 503 K HA 0.570 4.897 4.320 0.011 0.000 0.252 503 K C -0.152 176.456 176.600 0.013 0.000 0.934 503 K CA -0.503 55.788 56.287 0.006 0.000 0.797 503 K CB 1.598 34.099 32.500 0.001 0.000 1.270 503 K HN 0.013 nan 8.250 nan 0.000 0.431 504 G N 0.379 109.187 108.800 0.013 0.000 2.651 504 G HA2 0.479 4.445 3.960 0.011 0.000 0.260 504 G HA3 0.479 4.445 3.960 0.011 0.000 0.260 504 G C 0.005 174.914 174.900 0.016 0.000 1.216 504 G CA 0.106 45.216 45.100 0.016 0.000 0.913 504 G HN 0.898 nan 8.290 nan 0.000 0.535 505 G N 0.190 109.001 108.800 0.018 0.000 3.380 505 G HA2 0.182 4.149 3.960 0.011 0.000 0.685 505 G HA3 0.182 4.149 3.960 0.011 0.000 0.685 505 G C -0.537 174.375 174.900 0.021 0.000 1.136 505 G CA -0.061 45.049 45.100 0.017 0.000 1.011 505 G HN 0.955 nan 8.290 nan 0.000 0.471 506 D N 1.168 121.581 120.400 0.021 0.000 2.383 506 D HA 0.725 5.372 4.640 0.011 0.000 0.248 506 D C 0.863 177.174 176.300 0.019 0.000 1.170 506 D CA 0.387 54.401 54.000 0.023 0.000 0.977 506 D CB 1.479 42.293 40.800 0.023 0.000 1.120 506 D HN 0.672 nan 8.370 nan 0.000 0.481 507 D N -1.600 118.811 120.400 0.019 0.000 2.263 507 D HA -0.159 4.488 4.640 0.011 0.000 0.259 507 D C -1.380 174.929 176.300 0.015 0.000 0.555 507 D CA 0.348 54.357 54.000 0.015 0.000 1.521 507 D CB -0.515 40.293 40.800 0.012 0.000 1.378 507 D HN 0.269 nan 8.370 nan 0.000 0.749 508 V N 1.592 121.514 119.914 0.014 0.000 2.487 508 V HA 0.709 4.836 4.120 0.011 0.000 0.298 508 V C -0.161 175.943 176.094 0.017 0.000 1.028 508 V CA -0.756 61.553 62.300 0.014 0.000 0.860 508 V CB 1.736 33.565 31.823 0.010 0.000 0.991 508 V HN 0.258 nan 8.190 nan 0.000 0.427 509 V N 6.208 126.136 119.914 0.023 0.000 2.459 509 V HA 0.533 4.660 4.120 0.011 0.000 0.295 509 V C -0.150 175.958 176.094 0.024 0.000 1.029 509 V CA -0.478 61.839 62.300 0.027 0.000 0.874 509 V CB 1.967 33.816 31.823 0.043 0.000 0.985 509 V HN 0.675 nan 8.190 nan 0.000 0.438 510 I N 5.456 126.034 120.570 0.014 0.000 2.392 510 I HA 0.451 4.627 4.170 0.011 0.000 0.295 510 I C -0.661 175.454 176.117 -0.003 0.000 0.985 510 I CA -0.477 60.828 61.300 0.007 0.000 1.221 510 I CB 1.475 39.473 38.000 -0.004 0.000 1.366 510 I HN 0.320 nan 8.210 nan 0.000 0.467 511 L N 6.379 127.611 121.223 0.015 0.000 2.319 511 L HA 0.804 5.151 4.340 0.011 0.000 0.281 511 L C -0.219 176.636 176.870 -0.026 0.000 1.005 511 L CA -0.330 54.505 54.840 -0.008 0.000 0.828 511 L CB 1.427 43.540 42.059 0.090 0.000 1.227 511 L HN 0.718 nan 8.230 nan 0.000 0.415 512 A N 2.291 124.971 122.820 -0.233 0.000 2.572 512 A HA 0.957 5.283 4.320 0.011 0.000 0.295 512 A C -0.594 176.695 177.584 -0.491 0.000 1.072 512 A CA -0.351 51.489 52.037 -0.328 0.000 0.691 512 A CB 2.004 20.891 19.000 -0.188 0.000 1.291 512 A HN 0.680 nan 8.150 nan 0.000 0.404 513 G N -0.990 107.477 108.800 -0.554 0.000 2.605 513 G HA2 0.684 4.651 3.960 0.011 0.000 0.296 513 G HA3 0.684 4.651 3.960 0.011 0.000 0.296 513 G C 0.662 175.328 174.900 -0.390 0.000 1.304 513 G CA 0.275 45.066 45.100 -0.514 0.000 0.941 513 G HN 2.277 nan 8.290 nan 0.000 0.475 514 G N 0.900 109.499 108.800 -0.334 0.000 2.690 514 G HA2 -0.427 3.539 3.960 0.011 0.000 0.334 514 G HA3 -0.427 3.539 3.960 0.011 0.000 0.334 514 G C 1.524 176.281 174.900 -0.238 0.000 1.250 514 G CA 1.721 46.651 45.100 -0.282 0.000 0.994 514 G HN 1.169 nan 8.290 nan 0.000 0.549 515 K N 0.999 121.242 120.400 -0.263 0.000 2.116 515 K HA 0.415 4.742 4.320 0.011 0.000 0.203 515 K C 2.953 179.316 176.600 -0.395 0.000 1.052 515 K CA 1.835 57.952 56.287 -0.283 0.000 0.952 515 K CB -0.491 31.869 32.500 -0.234 0.000 0.729 515 K HN 0.827 nan 8.250 nan 0.000 0.446 516 A N 1.303 123.942 122.820 -0.301 0.000 1.940 516 A HA -0.165 4.162 4.320 0.011 0.000 0.219 516 A C 2.052 179.531 177.584 -0.175 0.000 1.176 516 A CA 1.521 53.438 52.037 -0.199 0.000 0.631 516 A CB -0.743 18.147 19.000 -0.183 0.000 0.814 516 A HN 0.402 nan 8.150 nan 0.000 0.446 517 L N 0.312 121.404 121.223 -0.218 0.000 2.081 517 L HA -0.221 4.126 4.340 0.011 0.000 0.212 517 L C 1.661 178.451 176.870 -0.134 0.000 1.080 517 L CA 2.548 57.284 54.840 -0.174 0.000 0.754 517 L CB -0.676 41.267 42.059 -0.193 0.000 0.893 517 L HN 0.390 nan 8.230 nan 0.000 0.433 518 D N -1.277 119.008 120.400 -0.192 0.000 2.104 518 D HA -0.259 4.387 4.640 0.011 0.000 0.194 518 D C 2.173 178.430 176.300 -0.073 0.000 0.994 518 D CA 2.024 55.922 54.000 -0.169 0.000 0.830 518 D CB -0.511 40.128 40.800 -0.268 0.000 0.959 518 D HN 0.504 nan 8.370 nan 0.000 0.452 519 Y N 1.363 121.631 120.300 -0.054 0.000 2.145 519 Y HA -0.192 4.365 4.550 0.011 0.000 0.286 519 Y C 2.695 178.564 175.900 -0.052 0.000 1.145 519 Y CA 0.579 58.647 58.100 -0.053 0.000 1.148 519 Y CB -0.220 38.193 38.460 -0.079 0.000 0.981 519 Y HN -0.068 nan 8.280 nan 0.000 0.507 520 A N 0.758 123.633 122.820 0.091 0.000 1.859 520 A HA -0.228 4.098 4.320 0.011 0.000 0.217 520 A C 2.208 179.801 177.584 0.015 0.000 1.198 520 A CA 1.847 53.899 52.037 0.025 0.000 0.629 520 A CB -1.232 17.753 19.000 -0.026 0.000 0.830 520 A HN 0.474 nan 8.150 nan 0.000 0.446 521 L N -0.880 120.342 121.223 -0.002 0.000 2.043 521 L HA -0.245 4.102 4.340 0.011 0.000 0.212 521 L C 2.778 179.656 176.870 0.013 0.000 1.075 521 L CA 1.947 56.785 54.840 -0.004 0.000 0.752 521 L CB -0.527 41.521 42.059 -0.019 0.000 0.891 521 L HN 0.416 nan 8.230 nan 0.000 0.432 522 K N 0.266 120.687 120.400 0.036 0.000 2.025 522 K HA -0.136 4.191 4.320 0.011 0.000 0.207 522 K C 2.153 178.772 176.600 0.032 0.000 1.049 522 K CA 1.352 57.664 56.287 0.042 0.000 0.933 522 K CB -0.156 32.390 32.500 0.077 0.000 0.714 522 K HN 0.247 nan 8.250 nan 0.000 0.438 523 A N 1.145 123.987 122.820 0.037 0.000 1.958 523 A HA -0.212 4.115 4.320 0.011 0.000 0.221 523 A C 2.224 179.814 177.584 0.010 0.000 1.178 523 A CA 2.424 54.471 52.037 0.017 0.000 0.642 523 A CB -0.620 18.389 19.000 0.014 0.000 0.816 523 A HN 0.442 nan 8.150 nan 0.000 0.453 524 A N -1.234 121.592 122.820 0.010 0.000 2.169 524 A HA 0.103 4.429 4.320 0.011 0.000 0.212 524 A C 1.586 179.173 177.584 0.005 0.000 1.153 524 A CA 1.004 53.044 52.037 0.006 0.000 0.756 524 A CB -0.365 18.637 19.000 0.004 0.000 0.813 524 A HN 0.632 nan 8.150 nan 0.000 0.471 525 E N 0.381 120.585 120.200 0.007 0.000 2.160 525 E HA -0.276 4.080 4.350 0.011 0.000 0.237 525 E C 0.064 176.666 176.600 0.004 0.000 1.069 525 E CA 2.047 58.450 56.400 0.005 0.000 0.950 525 E CB -0.216 29.488 29.700 0.007 0.000 0.832 525 E HN 0.660 nan 8.360 nan 0.000 0.496 526 D N -0.582 119.820 120.400 0.003 0.000 2.895 526 D HA 0.196 4.842 4.640 0.011 0.000 0.258 526 D C -0.996 175.305 176.300 0.003 0.000 1.311 526 D CA 0.054 54.055 54.000 0.003 0.000 0.843 526 D CB 0.262 41.063 40.800 0.002 0.000 1.055 526 D HN -0.006 nan 8.370 nan 0.000 0.486 527 L N 1.132 122.357 121.223 0.003 0.000 2.417 527 L HA 0.353 4.699 4.340 0.011 0.000 0.259 527 L C -1.715 175.157 176.870 0.004 0.000 1.023 527 L CA -1.505 53.337 54.840 0.003 0.000 0.901 527 L CB 1.823 43.883 42.059 0.003 0.000 1.227 527 L HN -0.128 nan 8.230 nan 0.000 0.454 528 P HA -0.032 nan 4.420 nan 0.000 0.233 528 P C 1.344 178.648 177.300 0.007 0.000 1.167 528 P CA 0.604 63.708 63.100 0.006 0.000 0.770 528 P CB 0.466 32.169 31.700 0.005 0.000 0.837 529 G N -0.063 108.741 108.800 0.007 0.000 2.551 529 G HA2 0.017 3.984 3.960 0.011 0.000 0.216 529 G HA3 0.017 3.984 3.960 0.011 0.000 0.216 529 G C 0.411 175.317 174.900 0.010 0.000 1.137 529 G CA 0.098 45.203 45.100 0.008 0.000 0.798 529 G HN 0.170 nan 8.290 nan 0.000 0.536 530 V N 1.443 121.362 119.914 0.008 0.000 2.432 530 V HA 0.597 4.724 4.120 0.011 0.000 0.271 530 V C 0.794 176.894 176.094 0.009 0.000 1.046 530 V CA -0.350 61.955 62.300 0.008 0.000 0.945 530 V CB 0.816 32.643 31.823 0.006 0.000 0.992 530 V HN 0.205 nan 8.190 nan 0.000 0.471 531 G N 3.567 112.375 108.800 0.012 0.000 2.417 531 G HA2 0.653 4.620 3.960 0.011 0.000 0.334 531 G HA3 0.653 4.620 3.960 0.011 0.000 0.334 531 G C -1.127 173.779 174.900 0.010 0.000 1.150 531 G CA -0.512 44.596 45.100 0.014 0.000 0.923 531 G HN 0.555 nan 8.290 nan 0.000 0.485 532 V N 0.965 120.881 119.914 0.004 0.000 2.540 532 V HA 0.512 4.639 4.120 0.011 0.000 0.302 532 V C -0.379 175.706 176.094 -0.015 0.000 1.035 532 V CA -0.721 61.572 62.300 -0.012 0.000 0.873 532 V CB 1.781 33.590 31.823 -0.023 0.000 0.992 532 V HN 0.551 nan 8.190 nan 0.000 0.428 533 V N 3.229 123.122 119.914 -0.036 0.000 2.448 533 V HA 0.388 4.514 4.120 0.011 0.000 0.295 533 V C 0.134 176.131 176.094 -0.162 0.000 1.025 533 V CA -0.807 61.466 62.300 -0.045 0.000 0.859 533 V CB 1.846 33.678 31.823 0.015 0.000 0.988 533 V HN 0.889 nan 8.190 nan 0.000 0.431 534 N N 4.082 122.692 118.700 -0.150 0.000 2.400 534 N HA 0.153 4.900 4.740 0.011 0.000 0.267 534 N C 0.289 175.540 175.510 -0.430 0.000 1.208 534 N CA 0.004 52.904 53.050 -0.250 0.000 0.951 534 N CB 1.079 39.466 38.487 -0.168 0.000 1.227 534 N HN 0.853 nan 8.380 nan 0.000 0.488 535 A N 5.229 127.605 122.820 -0.741 0.000 3.056 535 A HA 0.090 4.417 4.320 0.011 0.000 0.274 535 A C 1.475 178.478 177.584 -0.968 0.000 1.661 535 A CA -0.643 50.519 52.037 -1.458 0.000 1.363 535 A CB -0.407 17.718 19.000 -1.458 0.000 1.139 535 A HN 0.748 nan 8.150 nan 0.000 0.598 536 R N 0.587 120.697 120.500 -0.650 0.000 2.328 536 R HA 0.105 4.452 4.340 0.011 0.000 0.200 536 R C -1.305 174.463 176.300 -0.887 0.000 0.983 536 R CA 0.521 56.205 56.100 -0.694 0.000 1.062 536 R CB -0.419 29.470 30.300 -0.685 0.000 0.956 536 R HN 0.425 nan 8.270 nan 0.000 0.479 537 F N -0.508 119.422 119.950 -0.033 0.000 2.579 537 F HA 0.284 4.818 4.527 0.011 0.000 0.325 537 F C 0.811 176.835 175.800 0.373 0.000 1.162 537 F CA -1.004 57.069 58.000 0.122 0.000 0.946 537 F CB 2.423 41.461 39.000 0.063 0.000 1.211 537 F HN -0.385 nan 8.300 nan 0.000 0.447 538 V N 1.640 121.785 119.914 0.384 0.000 2.878 538 V HA 0.026 4.153 4.120 0.011 0.000 0.250 538 V C 0.169 176.487 176.094 0.374 0.000 1.075 538 V CA 0.959 63.503 62.300 0.407 0.000 1.096 538 V CB 0.057 32.022 31.823 0.236 0.000 0.724 538 V HN 0.580 nan 8.190 nan 0.000 0.467 539 K N 1.365 121.991 120.400 0.375 0.000 2.619 539 K HA 0.382 4.709 4.320 0.011 0.000 0.251 539 K C -3.129 173.704 176.600 0.387 0.000 0.987 539 K CA -1.608 54.856 56.287 0.294 0.000 0.844 539 K CB 2.476 35.095 32.500 0.198 0.000 1.237 539 K HN -0.076 nan 8.250 nan 0.000 0.447 540 P HA 0.164 nan 4.420 nan 0.000 0.276 540 P C -0.387 177.010 177.300 0.162 0.000 1.261 540 P CA -0.534 62.655 63.100 0.148 0.000 0.800 540 P CB 0.860 32.594 31.700 0.055 0.000 1.066 541 L N 0.343 121.629 121.223 0.105 0.000 2.475 541 L HA 0.194 4.541 4.340 0.011 0.000 0.253 541 L C 1.188 177.826 176.870 -0.388 0.000 1.198 541 L CA -0.166 54.700 54.840 0.044 0.000 0.814 541 L CB -0.113 41.995 42.059 0.082 0.000 1.134 541 L HN 0.330 nan 8.230 nan 0.000 0.478 542 D N 0.991 120.704 120.400 -1.144 0.000 2.470 542 D HA -0.010 4.636 4.640 0.011 0.000 0.226 542 D C 1.006 176.893 176.300 -0.688 0.000 1.196 542 D CA 0.029 53.403 54.000 -1.043 0.000 0.979 542 D CB 0.599 40.496 40.800 -1.505 0.000 1.059 542 D HN 0.393 nan 8.370 nan 0.000 0.515 543 E N 2.143 122.116 120.200 -0.378 0.000 2.065 543 E HA -0.211 4.146 4.350 0.011 0.000 0.201 543 E C 1.365 177.847 176.600 -0.197 0.000 1.016 543 E CA 1.176 57.435 56.400 -0.235 0.000 0.818 543 E CB 0.297 29.908 29.700 -0.148 0.000 0.749 543 E HN 0.600 nan 8.360 nan 0.000 0.453 544 E N 0.298 120.390 120.200 -0.179 0.000 2.047 544 E HA -0.116 4.241 4.350 0.011 0.000 0.191 544 E C 2.085 178.625 176.600 -0.100 0.000 0.987 544 E CA 0.569 56.901 56.400 -0.113 0.000 0.799 544 E CB -0.374 29.274 29.700 -0.087 0.000 0.752 544 E HN 0.265 nan 8.360 nan 0.000 0.449 545 M N 0.497 120.016 119.600 -0.136 0.000 2.296 545 M HA -0.123 4.363 4.480 0.011 0.000 0.265 545 M C 2.126 178.420 176.300 -0.009 0.000 1.064 545 M CA 0.740 56.008 55.300 -0.053 0.000 1.109 545 M CB 0.062 32.654 32.600 -0.013 0.000 1.396 545 M HN 0.079 nan 8.290 nan 0.000 0.430 546 L N 0.993 122.156 121.223 -0.101 0.000 2.056 546 L HA -0.161 4.185 4.340 0.011 0.000 0.207 546 L C 2.477 179.344 176.870 -0.004 0.000 1.078 546 L CA 1.960 56.800 54.840 0.001 0.000 0.749 546 L CB -0.729 41.296 42.059 -0.057 0.000 0.901 546 L HN 0.375 nan 8.230 nan 0.000 0.433 547 R N -0.445 120.030 120.500 -0.043 0.000 2.096 547 R HA -0.194 4.152 4.340 0.011 0.000 0.235 547 R C 2.149 178.443 176.300 -0.010 0.000 1.127 547 R CA 1.819 57.900 56.100 -0.031 0.000 0.968 547 R CB -0.873 29.401 30.300 -0.043 0.000 0.861 547 R HN 0.542 nan 8.270 nan 0.000 0.440 548 E N 0.348 120.545 120.200 -0.004 0.000 2.110 548 E HA -0.140 4.217 4.350 0.011 0.000 0.193 548 E C 1.722 178.338 176.600 0.026 0.000 0.988 548 E CA 1.433 57.840 56.400 0.010 0.000 0.804 548 E CB 0.190 29.898 29.700 0.013 0.000 0.745 548 E HN 0.298 nan 8.360 nan 0.000 0.458 549 V N -0.395 119.544 119.914 0.043 0.000 2.599 549 V HA -0.004 4.123 4.120 0.011 0.000 0.245 549 V C 2.102 178.222 176.094 0.043 0.000 1.046 549 V CA 1.533 63.867 62.300 0.057 0.000 1.065 549 V CB 0.293 32.175 31.823 0.098 0.000 0.703 549 V HN 0.453 nan 8.190 nan 0.000 0.464 550 G N -0.359 108.462 108.800 0.034 0.000 2.650 550 G HA2 -0.012 3.954 3.960 0.011 0.000 0.214 550 G HA3 -0.012 3.954 3.960 0.011 0.000 0.214 550 G C 1.440 176.347 174.900 0.012 0.000 1.136 550 G CA 0.751 45.863 45.100 0.020 0.000 0.789 550 G HN 0.571 nan 8.290 nan 0.000 0.536 551 G N -0.203 108.604 108.800 0.011 0.000 2.603 551 G HA2 0.051 4.017 3.960 0.011 0.000 0.214 551 G HA3 0.051 4.017 3.960 0.011 0.000 0.214 551 G C 1.584 176.493 174.900 0.015 0.000 1.140 551 G CA 0.495 45.600 45.100 0.010 0.000 0.800 551 G HN 0.451 nan 8.290 nan 0.000 0.533 552 R N -0.611 119.901 120.500 0.019 0.000 2.342 552 R HA 0.474 4.820 4.340 0.011 0.000 0.204 552 R C 0.967 177.280 176.300 0.021 0.000 0.882 552 R CA 0.415 56.527 56.100 0.019 0.000 1.041 552 R CB 0.331 30.644 30.300 0.021 0.000 1.188 552 R HN 0.189 nan 8.270 nan 0.000 0.598 553 A N 1.083 123.917 122.820 0.024 0.000 2.354 553 A HA 0.259 4.586 4.320 0.011 0.000 0.269 553 A C 0.614 178.211 177.584 0.020 0.000 1.109 553 A CA -0.479 51.572 52.037 0.023 0.000 0.800 553 A CB 0.770 19.787 19.000 0.028 0.000 1.045 553 A HN 0.300 nan 8.150 nan 0.000 0.489 554 R N 0.594 121.104 120.500 0.017 0.000 2.094 554 R HA -0.108 4.238 4.340 0.011 0.000 0.239 554 R C 0.695 177.005 176.300 0.017 0.000 1.137 554 R CA 1.934 58.043 56.100 0.016 0.000 0.943 554 R CB -0.132 30.175 30.300 0.013 0.000 0.850 554 R HN 0.895 nan 8.270 nan 0.000 0.433 555 A N -0.383 122.446 122.820 0.016 0.000 2.566 555 A HA 0.656 4.983 4.320 0.011 0.000 0.292 555 A C -1.351 176.243 177.584 0.017 0.000 1.112 555 A CA -0.710 51.336 52.037 0.015 0.000 0.707 555 A CB 1.573 20.580 19.000 0.011 0.000 1.302 555 A HN 0.118 nan 8.150 nan 0.000 0.409 556 L N 0.750 121.982 121.223 0.015 0.000 2.370 556 L HA 0.617 4.964 4.340 0.011 0.000 0.266 556 L C -1.102 175.774 176.870 0.010 0.000 1.002 556 L CA -0.530 54.320 54.840 0.017 0.000 0.818 556 L CB 1.980 44.050 42.059 0.018 0.000 1.325 556 L HN 0.619 nan 8.230 nan 0.000 0.418 557 I N 1.219 121.797 120.570 0.013 0.000 2.433 557 I HA 0.346 4.523 4.170 0.011 0.000 0.292 557 I C 0.112 176.246 176.117 0.029 0.000 1.001 557 I CA -0.412 60.895 61.300 0.012 0.000 1.119 557 I CB 2.344 40.349 38.000 0.009 0.000 1.289 557 I HN 0.592 nan 8.210 nan 0.000 0.438 558 T N 3.243 117.817 114.554 0.033 0.000 2.867 558 T HA 0.797 5.153 4.350 0.011 0.000 0.282 558 T C -0.467 174.300 174.700 0.111 0.000 1.000 558 T CA -0.678 61.489 62.100 0.111 0.000 1.042 558 T CB 1.772 70.650 68.868 0.016 0.000 0.973 558 T HN 0.252 nan 8.240 nan 0.000 0.465 559 V N 2.496 122.490 119.914 0.133 0.000 2.841 559 V HA 0.768 4.894 4.120 0.011 0.000 0.310 559 V C -0.700 175.381 176.094 -0.022 0.000 1.090 559 V CA -1.001 61.319 62.300 0.033 0.000 0.930 559 V CB 1.688 33.504 31.823 -0.013 0.000 1.014 559 V HN 1.182 nan 8.190 nan 0.000 0.425 560 E N 1.068 121.239 120.200 -0.049 0.000 2.354 560 E HA 0.326 4.682 4.350 0.011 0.000 0.283 560 E C -1.565 174.959 176.600 -0.127 0.000 0.938 560 E CA -0.752 55.581 56.400 -0.110 0.000 0.777 560 E CB 2.202 31.888 29.700 -0.023 0.000 1.222 560 E HN 0.453 nan 8.360 nan 0.000 0.423 561 D N 2.370 122.670 120.400 -0.167 0.000 2.801 561 D HA 0.234 4.880 4.640 0.011 0.000 0.232 561 D C -1.108 175.117 176.300 -0.124 0.000 1.128 561 D CA 0.364 54.282 54.000 -0.138 0.000 1.003 561 D CB -0.610 40.113 40.800 -0.129 0.000 1.110 561 D HN 0.514 nan 8.370 nan 0.000 0.477 562 N N -1.076 117.551 118.700 -0.123 0.000 2.708 562 N HA 0.202 4.948 4.740 0.011 0.000 0.257 562 N C -0.905 174.514 175.510 -0.151 0.000 1.373 562 N CA -0.709 52.248 53.050 -0.155 0.000 0.843 562 N CB 1.497 39.913 38.487 -0.118 0.000 1.503 562 N HN -0.120 nan 8.380 nan 0.000 0.504 563 T N -0.242 114.184 114.554 -0.213 0.000 2.855 563 T HA 0.011 4.368 4.350 0.011 0.000 0.322 563 T C 0.919 175.582 174.700 -0.061 0.000 1.088 563 T CA 0.042 62.052 62.100 -0.151 0.000 1.104 563 T CB 0.356 69.153 68.868 -0.119 0.000 0.996 563 T HN 0.243 nan 8.240 nan 0.000 0.549 564 V N 3.296 123.185 119.914 -0.041 0.000 3.235 564 V HA 0.182 4.308 4.120 0.011 0.000 0.259 564 V C 0.550 176.641 176.094 -0.006 0.000 1.133 564 V CA 0.521 62.810 62.300 -0.019 0.000 1.128 564 V CB 0.437 32.247 31.823 -0.022 0.000 0.757 564 V HN 0.712 nan 8.190 nan 0.000 0.469 565 V N 1.415 121.330 119.914 0.001 0.000 2.368 565 V HA 0.622 4.749 4.120 0.011 0.000 0.266 565 V C 1.211 177.323 176.094 0.029 0.000 1.045 565 V CA 0.595 62.903 62.300 0.014 0.000 0.899 565 V CB 0.026 31.860 31.823 0.018 0.000 1.006 565 V HN 0.544 nan 8.190 nan 0.000 0.470 566 G N 3.753 112.567 108.800 0.023 0.000 2.136 566 G HA2 -0.154 3.812 3.960 0.011 0.000 0.242 566 G HA3 -0.154 3.812 3.960 0.011 0.000 0.242 566 G C 0.486 175.407 174.900 0.036 0.000 0.989 566 G CA 0.201 45.320 45.100 0.031 0.000 0.682 566 G HN 1.200 nan 8.290 nan 0.000 0.522 567 G N -0.917 107.904 108.800 0.034 0.000 2.945 567 G HA2 0.551 4.518 3.960 0.011 0.000 0.156 567 G HA3 0.551 4.518 3.960 0.011 0.000 0.156 567 G C 0.866 175.827 174.900 0.102 0.000 1.375 567 G CA 0.273 45.408 45.100 0.058 0.000 1.039 567 G HN 0.539 nan 8.290 nan 0.000 0.586 568 F N 1.524 121.457 119.950 -0.028 0.000 2.102 568 F HA 0.018 4.552 4.527 0.012 0.000 0.298 568 F C 2.502 178.304 175.800 0.003 0.000 1.105 568 F CA 2.283 60.276 58.000 -0.011 0.000 1.239 568 F CB -0.600 38.368 39.000 -0.054 0.000 0.991 568 F HN 0.315 nan 8.300 nan 0.000 0.474 569 G N -0.226 108.517 108.800 -0.095 0.000 2.491 569 G HA2 -0.262 3.704 3.960 0.011 0.000 0.218 569 G HA3 -0.262 3.704 3.960 0.011 0.000 0.218 569 G C 1.971 176.780 174.900 -0.152 0.000 1.180 569 G CA 0.823 45.814 45.100 -0.182 0.000 0.774 569 G HN 0.660 nan 8.290 nan 0.000 0.562 570 G N 1.046 109.804 108.800 -0.069 0.000 2.469 570 G HA2 -0.001 3.965 3.960 0.011 0.000 0.220 570 G HA3 -0.001 3.965 3.960 0.011 0.000 0.220 570 G C 2.038 176.905 174.900 -0.057 0.000 1.136 570 G CA 1.655 46.728 45.100 -0.044 0.000 0.759 570 G HN 0.718 nan 8.290 nan 0.000 0.562 571 A N -0.013 122.767 122.820 -0.066 0.000 1.898 571 A HA 0.137 4.463 4.320 0.011 0.000 0.216 571 A C 2.614 180.137 177.584 -0.102 0.000 1.181 571 A CA 1.709 53.717 52.037 -0.048 0.000 0.620 571 A CB -0.564 18.446 19.000 0.018 0.000 0.819 571 A HN 0.251 nan 8.150 nan 0.000 0.442 572 V N 0.408 120.182 119.914 -0.233 0.000 2.255 572 V HA -0.285 3.842 4.120 0.011 0.000 0.247 572 V C 2.579 178.601 176.094 -0.120 0.000 1.051 572 V CA 2.060 64.232 62.300 -0.215 0.000 1.018 572 V CB -0.869 30.736 31.823 -0.363 0.000 0.641 572 V HN 0.581 nan 8.190 nan 0.000 0.445 573 L N -0.356 120.801 121.223 -0.110 0.000 2.079 573 L HA -0.238 4.108 4.340 0.011 0.000 0.210 573 L C 2.553 179.389 176.870 -0.055 0.000 1.081 573 L CA 1.794 56.592 54.840 -0.069 0.000 0.752 573 L CB -0.700 41.328 42.059 -0.052 0.000 0.896 573 L HN 0.408 nan 8.230 nan 0.000 0.433 574 E N 0.081 120.252 120.200 -0.049 0.000 2.106 574 E HA -0.182 4.174 4.350 0.011 0.000 0.192 574 E C 2.322 178.895 176.600 -0.044 0.000 0.984 574 E CA 1.086 57.465 56.400 -0.036 0.000 0.806 574 E CB -0.148 29.539 29.700 -0.021 0.000 0.750 574 E HN 0.502 nan 8.360 nan 0.000 0.458 575 A N 1.081 123.871 122.820 -0.050 0.000 1.855 575 A HA -0.157 4.170 4.320 0.011 0.000 0.215 575 A C 2.191 179.734 177.584 -0.069 0.000 1.191 575 A CA 1.064 53.069 52.037 -0.053 0.000 0.613 575 A CB -0.710 18.260 19.000 -0.050 0.000 0.829 575 A HN 0.124 nan 8.150 nan 0.000 0.442 576 L N 0.129 121.306 121.223 -0.077 0.000 2.012 576 L HA -0.255 4.092 4.340 0.011 0.000 0.210 576 L C 2.652 179.433 176.870 -0.148 0.000 1.073 576 L CA 1.699 56.476 54.840 -0.104 0.000 0.748 576 L CB -0.782 41.219 42.059 -0.096 0.000 0.891 576 L HN 0.613 nan 8.230 nan 0.000 0.431 577 N N 0.302 118.929 118.700 -0.121 0.000 2.036 577 N HA -0.240 4.506 4.740 0.011 0.000 0.195 577 N C 1.864 177.312 175.510 -0.104 0.000 1.037 577 N CA 2.274 55.252 53.050 -0.120 0.000 0.855 577 N CB 0.009 38.463 38.487 -0.055 0.000 1.033 577 N HN 0.412 nan 8.380 nan 0.000 0.423 578 S N -0.358 115.299 115.700 -0.071 0.000 2.522 578 S HA 0.065 4.542 4.470 0.011 0.000 0.227 578 S C 1.773 176.338 174.600 -0.059 0.000 0.986 578 S CA 0.238 58.407 58.200 -0.053 0.000 0.929 578 S CB -0.123 63.054 63.200 -0.038 0.000 0.769 578 S HN 0.344 nan 8.310 nan 0.000 0.529 579 M N 1.320 120.873 119.600 -0.079 0.000 2.495 579 M HA 0.265 4.752 4.480 0.011 0.000 0.237 579 M C 0.243 176.487 176.300 -0.093 0.000 1.131 579 M CA -0.113 55.142 55.300 -0.076 0.000 1.032 579 M CB -0.327 32.228 32.600 -0.074 0.000 1.513 579 M HN 0.187 nan 8.290 nan 0.000 0.488 580 N N 1.906 120.526 118.700 -0.134 0.000 2.721 580 N HA -0.162 4.585 4.740 0.011 0.000 0.249 580 N C -1.238 174.112 175.510 -0.267 0.000 1.072 580 N CA 0.704 53.642 53.050 -0.187 0.000 0.710 580 N CB -0.940 37.518 38.487 -0.048 0.000 0.993 580 N HN 0.345 nan 8.380 nan 0.000 0.547 581 L N 0.473 121.506 121.223 -0.316 0.000 2.307 581 L HA 0.289 4.636 4.340 0.011 0.000 0.284 581 L C 0.587 177.245 176.870 -0.354 0.000 1.023 581 L CA -0.456 54.245 54.840 -0.232 0.000 0.810 581 L CB 1.200 43.192 42.059 -0.113 0.000 1.231 581 L HN 0.114 nan 8.230 nan 0.000 0.423 582 H N 1.802 120.869 119.070 -0.005 0.000 2.505 582 H HA 0.230 4.792 4.556 0.011 0.000 0.260 582 H C -1.982 173.344 175.328 -0.004 0.000 1.232 582 H CA -1.279 54.766 56.048 -0.005 0.000 0.991 582 H CB -0.178 29.581 29.762 -0.005 0.000 1.729 582 H HN 0.453 nan 8.280 nan 0.000 0.561 583 P HA 0.114 nan 4.420 nan 0.000 0.276 583 P C -0.003 177.322 177.300 0.040 0.000 1.261 583 P CA -0.502 62.626 63.100 0.047 0.000 0.800 583 P CB 1.049 32.764 31.700 0.025 0.000 1.066 584 T N 0.374 114.945 114.554 0.029 0.000 2.834 584 T HA 0.281 4.637 4.350 0.011 0.000 0.298 584 T C 0.083 174.791 174.700 0.013 0.000 0.966 584 T CA -0.087 62.025 62.100 0.020 0.000 1.141 584 T CB -0.038 68.839 68.868 0.015 0.000 0.905 584 T HN 0.150 nan 8.240 nan 0.000 0.535 585 V N 5.147 125.066 119.914 0.007 0.000 2.531 585 V HA 0.483 4.610 4.120 0.011 0.000 0.301 585 V C 0.004 176.095 176.094 -0.005 0.000 1.034 585 V CA -1.122 61.176 62.300 -0.003 0.000 0.865 585 V CB 1.878 33.692 31.823 -0.015 0.000 0.995 585 V HN 0.644 nan 8.190 nan 0.000 0.424 586 R N 2.827 123.324 120.500 -0.005 0.000 2.207 586 R HA 0.516 4.863 4.340 0.011 0.000 0.334 586 R C -0.925 175.370 176.300 -0.009 0.000 1.013 586 R CA -0.498 55.598 56.100 -0.006 0.000 0.858 586 R CB 1.715 32.012 30.300 -0.005 0.000 1.094 586 R HN 0.520 nan 8.270 nan 0.000 0.457 587 V N 6.297 126.204 119.914 -0.012 0.000 2.334 587 V HA 0.290 4.416 4.120 0.011 0.000 0.267 587 V C 0.455 176.546 176.094 -0.005 0.000 1.040 587 V CA -0.466 61.828 62.300 -0.010 0.000 0.866 587 V CB 0.997 32.809 31.823 -0.019 0.000 1.019 587 V HN 0.468 nan 8.190 nan 0.000 0.468 588 L N 5.287 126.511 121.223 0.002 0.000 2.282 588 L HA 0.916 5.263 4.340 0.011 0.000 0.288 588 L C 0.691 177.556 176.870 -0.008 0.000 1.033 588 L CA 0.033 54.868 54.840 -0.008 0.000 0.807 588 L CB 1.392 43.442 42.059 -0.015 0.000 1.209 588 L HN 0.775 nan 8.230 nan 0.000 0.423 589 G N 2.692 111.480 108.800 -0.021 0.000 2.490 589 G HA2 0.466 4.432 3.960 0.011 0.000 0.308 589 G HA3 0.466 4.432 3.960 0.011 0.000 0.308 589 G C -1.648 173.232 174.900 -0.033 0.000 1.286 589 G CA -0.754 44.328 45.100 -0.031 0.000 0.825 589 G HN 0.250 nan 8.290 nan 0.000 0.479 590 I N 3.079 123.622 120.570 -0.045 0.000 2.471 590 I HA 0.298 4.474 4.170 0.011 0.000 0.286 590 I C -1.522 174.562 176.117 -0.055 0.000 1.079 590 I CA -1.528 59.745 61.300 -0.044 0.000 1.398 590 I CB 1.432 39.389 38.000 -0.072 0.000 1.403 590 I HN 0.179 nan 8.210 nan 0.000 0.530 591 P HA -0.015 nan 4.420 nan 0.000 0.273 591 P C -0.516 176.751 177.300 -0.055 0.000 1.250 591 P CA -0.277 62.801 63.100 -0.037 0.000 0.793 591 P CB 0.474 32.161 31.700 -0.022 0.000 1.011 592 D N 0.176 120.547 120.400 -0.047 0.000 2.662 592 D HA 0.060 4.707 4.640 0.011 0.000 0.228 592 D C -0.433 175.815 176.300 -0.087 0.000 1.093 592 D CA 0.487 54.450 54.000 -0.062 0.000 1.075 592 D CB -0.833 39.943 40.800 -0.040 0.000 1.122 592 D HN 0.271 nan 8.370 nan 0.000 0.475 593 E N 1.618 121.751 120.200 -0.111 0.000 2.406 593 E HA 0.118 4.474 4.350 0.011 0.000 0.297 593 E C -0.798 175.774 176.600 -0.047 0.000 0.917 593 E CA -0.706 55.650 56.400 -0.073 0.000 0.795 593 E CB 0.460 30.156 29.700 -0.007 0.000 1.285 593 E HN -0.012 nan 8.360 nan 0.000 0.400 594 F N 1.956 121.964 119.950 0.097 0.000 2.642 594 F HA -0.017 4.516 4.527 0.011 0.000 0.371 594 F C 1.003 176.837 175.800 0.056 0.000 1.120 594 F CA 0.556 58.620 58.000 0.106 0.000 1.331 594 F CB 0.463 39.527 39.000 0.107 0.000 1.044 594 F HN 0.312 nan 8.300 nan 0.000 0.594 595 Q N 3.491 123.447 119.800 0.260 0.000 2.368 595 Q HA 0.194 4.541 4.340 0.011 0.000 0.256 595 Q C 0.015 176.085 176.000 0.117 0.000 0.980 595 Q CA -0.509 55.374 55.803 0.133 0.000 0.887 595 Q CB 1.110 29.897 28.738 0.082 0.000 1.221 595 Q HN 0.553 nan 8.270 nan 0.000 0.458 596 E N 1.463 121.689 120.200 0.043 0.000 2.409 596 E HA 0.003 4.360 4.350 0.011 0.000 0.257 596 E C -0.160 176.396 176.600 -0.072 0.000 1.150 596 E CA -0.294 56.070 56.400 -0.059 0.000 0.942 596 E CB 0.181 29.757 29.700 -0.208 0.000 0.979 596 E HN 0.533 nan 8.360 nan 0.000 0.447 597 H N -0.830 118.289 119.070 0.082 0.000 3.070 597 H HA 0.393 4.955 4.556 0.012 0.000 0.313 597 H C -0.206 175.143 175.328 0.036 0.000 0.997 597 H CA 0.116 56.203 56.048 0.066 0.000 1.438 597 H CB 0.304 30.108 29.762 0.070 0.000 1.455 597 H HN 0.602 nan 8.280 nan 0.000 0.575 598 A N 2.503 125.389 122.820 0.111 0.000 2.506 598 A HA 0.612 4.939 4.320 0.011 0.000 0.305 598 A C -0.269 177.334 177.584 0.031 0.000 1.166 598 A CA -0.568 51.501 52.037 0.053 0.000 0.638 598 A CB 0.405 19.408 19.000 0.004 0.000 1.336 598 A HN 0.990 nan 8.150 nan 0.000 0.493 599 T N -1.394 113.162 114.554 0.004 0.000 2.882 599 T HA 0.573 4.929 4.350 0.011 0.000 0.287 599 T C 1.322 175.980 174.700 -0.070 0.000 0.992 599 T CA 0.358 62.449 62.100 -0.014 0.000 1.076 599 T CB 1.362 70.229 68.868 -0.001 0.000 0.961 599 T HN 1.986 nan 8.240 nan 0.000 0.490 600 A N 2.369 125.125 122.820 -0.108 0.000 1.896 600 A HA -0.236 4.090 4.320 0.011 0.000 0.220 600 A C 2.136 179.543 177.584 -0.295 0.000 1.206 600 A CA 2.358 54.221 52.037 -0.291 0.000 0.647 600 A CB -1.233 17.637 19.000 -0.217 0.000 0.828 600 A HN 0.936 nan 8.150 nan 0.000 0.455 601 E N -0.325 119.835 120.200 -0.066 0.000 2.086 601 E HA -0.176 4.180 4.350 0.011 0.000 0.200 601 E C 2.319 178.913 176.600 -0.011 0.000 1.012 601 E CA 1.472 57.890 56.400 0.029 0.000 0.812 601 E CB -0.584 29.148 29.700 0.053 0.000 0.743 601 E HN 0.573 nan 8.360 nan 0.000 0.453 602 S N -0.449 115.231 115.700 -0.033 0.000 2.351 602 S HA -0.161 4.316 4.470 0.011 0.000 0.220 602 S C 2.044 176.623 174.600 -0.034 0.000 1.035 602 S CA 1.434 59.618 58.200 -0.027 0.000 1.031 602 S CB -0.343 62.846 63.200 -0.019 0.000 0.928 602 S HN 0.130 nan 8.310 nan 0.000 0.433 603 V N 2.190 122.059 119.914 -0.076 0.000 2.332 603 V HA -0.171 3.956 4.120 0.011 0.000 0.248 603 V C 2.382 178.494 176.094 0.029 0.000 1.055 603 V CA 2.158 64.426 62.300 -0.053 0.000 1.038 603 V CB -1.131 30.635 31.823 -0.094 0.000 0.651 603 V HN 0.561 nan 8.190 nan 0.000 0.450 604 H N 0.566 119.633 119.070 -0.005 0.000 2.387 604 H HA -0.023 4.540 4.556 0.011 0.000 0.299 604 H C 2.366 177.627 175.328 -0.112 0.000 1.090 604 H CA 1.428 57.451 56.048 -0.043 0.000 1.332 604 H CB -0.803 28.958 29.762 -0.001 0.000 1.386 604 H HN 0.459 nan 8.280 nan 0.000 0.516 605 A N 1.303 124.135 122.820 0.020 0.000 1.865 605 A HA -0.196 4.131 4.320 0.011 0.000 0.217 605 A C 2.356 179.925 177.584 -0.025 0.000 1.191 605 A CA 1.777 53.793 52.037 -0.035 0.000 0.623 605 A CB -0.348 18.635 19.000 -0.029 0.000 0.826 605 A HN 0.365 nan 8.150 nan 0.000 0.444 606 R N -0.876 119.619 120.500 -0.007 0.000 2.297 606 R HA 0.250 4.597 4.340 0.011 0.000 0.197 606 R C 1.827 178.125 176.300 -0.004 0.000 0.943 606 R CA 0.614 56.709 56.100 -0.008 0.000 1.038 606 R CB -0.097 30.200 30.300 -0.006 0.000 0.957 606 R HN 0.487 nan 8.270 nan 0.000 0.484 607 A N 0.373 123.198 122.820 0.008 0.000 2.169 607 A HA 0.273 4.600 4.320 0.011 0.000 0.210 607 A C 1.309 178.883 177.584 -0.016 0.000 1.168 607 A CA 0.602 52.643 52.037 0.007 0.000 0.813 607 A CB 0.214 19.237 19.000 0.039 0.000 0.861 607 A HN 0.324 nan 8.150 nan 0.000 0.481 608 G N 0.285 109.065 108.800 -0.034 0.000 2.248 608 G HA2 -0.225 3.741 3.960 0.011 0.000 0.263 608 G HA3 -0.225 3.741 3.960 0.011 0.000 0.263 608 G C 0.538 175.386 174.900 -0.086 0.000 1.082 608 G CA 0.467 45.531 45.100 -0.060 0.000 0.863 608 G HN 1.385 nan 8.290 nan 0.000 0.495 609 I N -2.443 118.051 120.570 -0.127 0.000 4.139 609 I HA 0.327 4.504 4.170 0.011 0.000 0.335 609 I C 0.639 176.544 176.117 -0.353 0.000 1.327 609 I CA 0.181 61.385 61.300 -0.161 0.000 1.112 609 I CB 0.143 38.059 38.000 -0.141 0.000 1.058 609 I HN 0.118 nan 8.210 nan 0.000 0.396 610 D N 2.000 122.069 120.400 -0.552 0.000 2.411 610 D HA 0.317 4.964 4.640 0.011 0.000 0.251 610 D C 1.421 177.438 176.300 -0.472 0.000 1.201 610 D CA 0.162 53.532 54.000 -1.050 0.000 0.996 610 D CB 1.240 41.475 40.800 -0.943 0.000 1.101 610 D HN 0.062 nan 8.370 nan 0.000 0.504 611 A N 0.318 122.925 122.820 -0.355 0.000 1.841 611 A HA -0.079 4.247 4.320 0.011 0.000 0.216 611 A C -0.352 177.181 177.584 -0.084 0.000 1.199 611 A CA 1.911 53.891 52.037 -0.096 0.000 0.621 611 A CB -1.969 17.036 19.000 0.008 0.000 0.835 611 A HN 0.614 nan 8.150 nan 0.000 0.445 612 P HA -0.166 nan 4.420 nan 0.000 0.216 612 P C 1.641 178.902 177.300 -0.064 0.000 1.150 612 P CA 2.047 65.111 63.100 -0.059 0.000 0.843 612 P CB -0.128 31.540 31.700 -0.055 0.000 0.787 613 A N -0.962 121.801 122.820 -0.095 0.000 1.898 613 A HA -0.150 4.176 4.320 0.011 0.000 0.216 613 A C 2.167 179.713 177.584 -0.064 0.000 1.181 613 A CA 1.370 53.358 52.037 -0.082 0.000 0.620 613 A CB -1.546 17.390 19.000 -0.106 0.000 0.819 613 A HN 0.112 nan 8.150 nan 0.000 0.442 614 I N -0.799 119.729 120.570 -0.069 0.000 2.226 614 I HA -0.249 3.927 4.170 0.011 0.000 0.245 614 I C 2.705 178.806 176.117 -0.027 0.000 1.100 614 I CA 1.164 62.439 61.300 -0.041 0.000 1.374 614 I CB -0.305 37.679 38.000 -0.028 0.000 1.057 614 I HN 0.248 nan 8.210 nan 0.000 0.413 615 R N 0.069 120.552 120.500 -0.028 0.000 2.117 615 R HA -0.164 4.183 4.340 0.011 0.000 0.243 615 R C 2.319 178.608 176.300 -0.018 0.000 1.143 615 R CA 2.043 58.132 56.100 -0.019 0.000 0.968 615 R CB -0.658 29.631 30.300 -0.018 0.000 0.863 615 R HN 0.387 nan 8.270 nan 0.000 0.444 616 T N 0.657 115.197 114.554 -0.024 0.000 2.701 616 T HA -0.097 4.259 4.350 0.011 0.000 0.263 616 T C 2.016 176.706 174.700 -0.016 0.000 1.040 616 T CA 1.413 63.501 62.100 -0.020 0.000 1.147 616 T CB -0.214 68.639 68.868 -0.024 0.000 0.865 616 T HN -0.005 nan 8.240 nan 0.000 0.426 617 V N 1.837 121.740 119.914 -0.019 0.000 2.282 617 V HA -0.207 3.919 4.120 0.011 0.000 0.249 617 V C 2.526 178.615 176.094 -0.009 0.000 1.057 617 V CA 1.692 63.984 62.300 -0.014 0.000 1.032 617 V CB -0.877 30.937 31.823 -0.016 0.000 0.645 617 V HN 0.424 nan 8.190 nan 0.000 0.447 618 L N 0.056 121.274 121.223 -0.009 0.000 2.043 618 L HA -0.235 4.111 4.340 0.011 0.000 0.212 618 L C 2.724 179.591 176.870 -0.004 0.000 1.075 618 L CA 1.777 56.614 54.840 -0.005 0.000 0.752 618 L CB -0.829 41.227 42.059 -0.004 0.000 0.891 618 L HN 0.380 nan 8.230 nan 0.000 0.432 619 A N -0.292 122.525 122.820 -0.006 0.000 1.877 619 A HA -0.242 4.084 4.320 0.011 0.000 0.216 619 A C 2.179 179.760 177.584 -0.005 0.000 1.186 619 A CA 1.796 53.830 52.037 -0.005 0.000 0.620 619 A CB -0.509 18.487 19.000 -0.007 0.000 0.822 619 A HN 0.447 nan 8.150 nan 0.000 0.443 620 E N -0.341 119.855 120.200 -0.006 0.000 2.118 620 E HA -0.155 4.201 4.350 0.011 0.000 0.195 620 E C 1.415 178.014 176.600 -0.003 0.000 0.992 620 E CA 1.159 57.556 56.400 -0.005 0.000 0.804 620 E CB -0.267 29.429 29.700 -0.006 0.000 0.741 620 E HN 0.647 nan 8.360 nan 0.000 0.458 621 L N -0.654 120.568 121.223 -0.002 0.000 2.627 621 L HA 0.149 4.495 4.340 0.011 0.000 0.233 621 L C 1.207 178.078 176.870 0.001 0.000 1.144 621 L CA 0.334 55.174 54.840 0.000 0.000 0.892 621 L CB 0.082 42.142 42.059 0.001 0.000 1.039 621 L HN 0.256 nan 8.230 nan 0.000 0.442 622 G N -0.187 108.613 108.800 -0.000 0.000 2.130 622 G HA2 -0.219 3.747 3.960 0.011 0.000 0.216 622 G HA3 -0.219 3.747 3.960 0.011 0.000 0.216 622 G C 0.092 174.992 174.900 0.001 0.000 0.999 622 G CA -0.129 44.971 45.100 0.001 0.000 0.686 622 G HN 0.081 nan 8.290 nan 0.000 0.515 623 V N 0.863 120.778 119.914 0.001 0.000 2.649 623 V HA 0.314 4.441 4.120 0.011 0.000 0.292 623 V C 0.474 176.568 176.094 0.000 0.000 1.055 623 V CA -0.649 61.652 62.300 0.001 0.000 1.023 623 V CB 1.524 33.348 31.823 0.001 0.000 0.992 623 V HN 0.259 nan 8.190 nan 0.000 0.480 624 D N 3.387 123.787 120.400 0.001 0.000 2.359 624 D HA 0.241 4.888 4.640 0.011 0.000 0.250 624 D C -0.519 175.780 176.300 -0.000 0.000 1.264 624 D CA 0.325 54.325 54.000 0.000 0.000 0.911 624 D CB 1.159 41.959 40.800 0.001 0.000 1.056 624 D HN 0.249 nan 8.370 nan 0.000 0.499 625 V N 5.278 125.191 119.914 -0.002 0.000 2.409 625 V HA 0.272 4.399 4.120 0.011 0.000 0.291 625 V C -1.948 174.144 176.094 -0.003 0.000 1.020 625 V CA -1.613 60.686 62.300 -0.002 0.000 0.848 625 V CB 1.706 33.526 31.823 -0.004 0.000 0.990 625 V HN 0.360 nan 8.190 nan 0.000 0.430 626 P HA 0.246 nan 4.420 nan 0.000 0.268 626 P C -0.044 177.254 177.300 -0.003 0.000 1.204 626 P CA -0.193 62.906 63.100 -0.002 0.000 0.768 626 P CB 0.358 32.057 31.700 -0.001 0.000 0.842 627 I N 0.000 120.568 120.570 -0.003 0.000 2.984 627 I HA 0.000 4.177 4.170 0.011 0.000 0.288 627 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 627 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 627 I HN 0.000 nan 8.210 nan 0.000 0.494