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 2fah_1_D DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSEA DATA SEQUENCE TAAAEHKGGR LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.893 176.870 0.038 0.000 1.165 34 L CA 0.000 54.877 54.840 0.061 0.000 0.813 34 L CB 0.000 42.111 42.059 0.087 0.000 0.961 35 S N -0.524 115.195 115.700 0.031 0.000 2.546 35 S HA 0.572 5.042 4.470 -0.000 0.000 0.274 35 S C 0.468 175.069 174.600 0.001 0.000 1.121 35 S CA 0.249 58.457 58.200 0.013 0.000 0.887 35 S CB 1.977 65.183 63.200 0.010 0.000 1.094 35 S HN 0.773 nan 8.310 nan 0.000 0.474 36 T N -0.045 114.504 114.554 -0.008 0.000 3.081 36 T HA 0.222 4.572 4.350 -0.000 0.000 0.255 36 T C 0.849 175.538 174.700 -0.018 0.000 1.113 36 T CA 0.364 62.453 62.100 -0.019 0.000 1.082 36 T CB -0.079 68.776 68.868 -0.021 0.000 0.939 36 T HN 0.469 nan 8.240 nan 0.000 0.506 37 S N 0.526 116.219 115.700 -0.011 0.000 2.513 37 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 37 S C 0.582 175.175 174.600 -0.012 0.000 1.254 37 S CA -0.823 57.370 58.200 -0.011 0.000 1.053 37 S CB 0.334 63.529 63.200 -0.008 0.000 0.958 37 S HN 0.456 nan 8.310 nan 0.000 0.491 38 L N 4.227 125.441 121.223 -0.015 0.000 2.693 38 L HA 0.186 4.525 4.340 -0.000 0.000 0.235 38 L C 1.950 178.810 176.870 -0.017 0.000 1.127 38 L CA -0.033 54.797 54.840 -0.017 0.000 0.914 38 L CB 0.039 42.086 42.059 -0.021 0.000 1.193 38 L HN 0.575 nan 8.230 nan 0.000 0.502 39 S N 0.687 116.379 115.700 -0.014 0.000 2.447 39 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 39 S C 2.141 176.731 174.600 -0.016 0.000 1.006 39 S CA 1.132 59.325 58.200 -0.013 0.000 0.957 39 S CB 0.040 63.234 63.200 -0.010 0.000 0.773 39 S HN 0.512 nan 8.310 nan 0.000 0.507 40 A N 0.863 123.672 122.820 -0.018 0.000 2.119 40 A HA 0.201 4.521 4.320 -0.000 0.000 0.217 40 A C 0.829 178.392 177.584 -0.035 0.000 1.153 40 A CA 0.397 52.420 52.037 -0.023 0.000 0.692 40 A CB -0.371 18.617 19.000 -0.020 0.000 0.799 40 A HN 0.420 nan 8.150 nan 0.000 0.458 41 L N 1.242 122.439 121.223 -0.043 0.000 2.452 41 L HA 0.215 4.555 4.340 -0.000 0.000 0.267 41 L C -1.856 174.979 176.870 -0.058 0.000 1.188 41 L CA -1.891 52.907 54.840 -0.070 0.000 0.821 41 L CB 0.075 42.087 42.059 -0.078 0.000 1.102 41 L HN 0.132 nan 8.230 nan 0.000 0.470 42 P HA 0.027 nan 4.420 nan 0.000 0.272 42 P C 0.142 177.440 177.300 -0.003 0.000 1.240 42 P CA -0.281 62.798 63.100 -0.036 0.000 0.791 42 P CB 0.782 32.459 31.700 -0.039 0.000 0.978 43 A N 2.240 125.075 122.820 0.026 0.000 1.892 43 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 43 A C 2.293 179.932 177.584 0.092 0.000 1.188 43 A CA 2.726 54.791 52.037 0.046 0.000 0.631 43 A CB -1.747 17.278 19.000 0.042 0.000 0.822 43 A HN 0.606 nan 8.150 nan 0.000 0.447 44 A N -0.509 122.396 122.820 0.142 0.000 1.933 44 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 44 A C 2.497 180.318 177.584 0.395 0.000 1.175 44 A CA 2.146 54.340 52.037 0.262 0.000 0.628 44 A CB -0.962 18.234 19.000 0.325 0.000 0.814 44 A HN 1.101 nan 8.150 nan 0.000 0.444 45 A N -0.018 122.908 122.820 0.176 0.000 1.873 45 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 45 A C 2.238 179.892 177.584 0.116 0.000 1.186 45 A CA 1.428 53.439 52.037 -0.044 0.000 0.616 45 A CB -0.500 18.230 19.000 -0.451 0.000 0.823 45 A HN 0.547 nan 8.150 nan 0.000 0.442 46 R N -0.185 120.348 120.500 0.054 0.000 2.094 46 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 46 R C 1.765 178.108 176.300 0.071 0.000 1.137 46 R CA 1.612 57.737 56.100 0.042 0.000 0.943 46 R CB -0.661 29.651 30.300 0.021 0.000 0.850 46 R HN 0.488 nan 8.270 nan 0.000 0.433 47 D N 0.362 120.830 120.400 0.114 0.000 2.116 47 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 47 D C 1.640 178.035 176.300 0.159 0.000 0.998 47 D CA 1.131 55.201 54.000 0.117 0.000 0.836 47 D CB -0.352 40.526 40.800 0.129 0.000 0.951 47 D HN 0.100 nan 8.370 nan 0.000 0.449 48 F N 1.814 121.828 119.950 0.108 0.000 2.095 48 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 48 F C 2.173 178.018 175.800 0.076 0.000 1.104 48 F CA 1.074 59.143 58.000 0.115 0.000 1.232 48 F CB -0.612 38.531 39.000 0.237 0.000 0.987 48 F HN -0.199 nan 8.300 nan 0.000 0.475 49 V N 1.280 121.042 119.914 -0.253 0.000 2.287 49 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 49 V C 2.510 178.478 176.094 -0.210 0.000 1.053 49 V CA 2.259 64.358 62.300 -0.336 0.000 1.027 49 V CB -0.843 30.894 31.823 -0.143 0.000 0.646 49 V HN 0.347 nan 8.190 nan 0.000 0.447 50 E N 0.106 120.247 120.200 -0.098 0.000 2.070 50 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 50 E C 2.215 178.773 176.600 -0.070 0.000 1.004 50 E CA 1.652 58.015 56.400 -0.062 0.000 0.805 50 E CB -0.371 29.318 29.700 -0.020 0.000 0.744 50 E HN 0.759 nan 8.360 nan 0.000 0.451 51 E N 0.817 120.980 120.200 -0.062 0.000 2.077 51 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 51 E C 2.038 178.579 176.600 -0.099 0.000 0.989 51 E CA 1.077 57.448 56.400 -0.048 0.000 0.800 51 E CB -0.027 29.682 29.700 0.015 0.000 0.746 51 E HN 0.168 nan 8.360 nan 0.000 0.452 52 A N 0.634 123.327 122.820 -0.213 0.000 1.933 52 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 52 A C 2.406 179.921 177.584 -0.116 0.000 1.175 52 A CA 1.346 53.254 52.037 -0.215 0.000 0.628 52 A CB -0.545 18.209 19.000 -0.409 0.000 0.814 52 A HN 0.223 nan 8.150 nan 0.000 0.444 53 V N -0.292 119.554 119.914 -0.114 0.000 2.358 53 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 53 V C 2.639 178.707 176.094 -0.043 0.000 1.047 53 V CA 2.277 64.534 62.300 -0.072 0.000 1.035 53 V CB -0.764 31.016 31.823 -0.072 0.000 0.658 53 V HN 0.472 nan 8.190 nan 0.000 0.452 54 R N -0.434 120.041 120.500 -0.042 0.000 2.152 54 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 54 R C 1.944 178.235 176.300 -0.015 0.000 1.117 54 R CA 1.180 57.265 56.100 -0.026 0.000 0.981 54 R CB -0.620 29.665 30.300 -0.025 0.000 0.870 54 R HN 0.456 nan 8.270 nan 0.000 0.451 55 L N -0.999 120.216 121.223 -0.014 0.000 2.102 55 L HA -0.046 4.294 4.340 -0.000 0.000 0.202 55 L C 1.471 178.369 176.870 0.047 0.000 1.076 55 L CA 1.684 56.531 54.840 0.011 0.000 0.761 55 L CB -0.327 41.731 42.059 -0.001 0.000 0.921 55 L HN 0.146 nan 8.230 nan 0.000 0.444 56 C N 0.163 119.495 119.300 0.053 0.000 2.563 56 C HA 0.378 4.838 4.460 -0.000 0.000 0.268 56 C C 1.511 176.523 174.990 0.037 0.000 1.365 56 C CA 0.322 59.392 59.018 0.086 0.000 1.754 56 C CB -1.317 26.493 27.740 0.115 0.000 1.932 56 C HN 0.651 nan 8.230 nan 0.000 0.536 57 R N 0.246 120.751 120.500 0.009 0.000 3.205 57 R HA -0.172 4.168 4.340 -0.000 0.000 0.249 57 R C -2.187 174.103 176.300 -0.017 0.000 0.937 57 R CA 1.291 57.387 56.100 -0.007 0.000 0.641 57 R CB -3.264 27.034 30.300 -0.003 0.000 1.114 57 R HN 0.633 nan 8.270 nan 0.000 0.451 58 P HA 0.111 nan 4.420 nan 0.000 0.272 58 P C 0.441 177.709 177.300 -0.054 0.000 1.230 58 P CA -0.443 62.628 63.100 -0.048 0.000 0.788 58 P CB 0.718 32.375 31.700 -0.071 0.000 0.949 59 R N 0.698 121.162 120.500 -0.060 0.000 2.081 59 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 59 R C 0.983 177.243 176.300 -0.067 0.000 1.131 59 R CA 1.451 57.518 56.100 -0.055 0.000 0.960 59 R CB 0.248 30.517 30.300 -0.052 0.000 0.856 59 R HN 0.710 nan 8.270 nan 0.000 0.436 60 E N -1.587 118.555 120.200 -0.096 0.000 2.430 60 E HA 0.351 4.701 4.350 -0.000 0.000 0.279 60 E C -1.571 174.939 176.600 -0.149 0.000 1.003 60 E CA -1.033 55.303 56.400 -0.107 0.000 0.801 60 E CB 2.065 31.702 29.700 -0.104 0.000 1.313 60 E HN -0.128 nan 8.360 nan 0.000 0.459 61 V N 1.701 121.537 119.914 -0.131 0.000 2.531 61 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 61 V C -0.667 175.352 176.094 -0.127 0.000 1.034 61 V CA -0.646 61.571 62.300 -0.139 0.000 0.865 61 V CB 1.221 32.988 31.823 -0.093 0.000 0.995 61 V HN 0.566 nan 8.190 nan 0.000 0.424 62 L N 5.127 126.258 121.223 -0.154 0.000 2.381 62 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 62 L C -0.845 176.029 176.870 0.008 0.000 0.988 62 L CA -0.708 54.085 54.840 -0.077 0.000 0.824 62 L CB 2.101 44.099 42.059 -0.102 0.000 1.263 62 L HN 0.489 nan 8.230 nan 0.000 0.410 63 L N 3.227 124.465 121.223 0.024 0.000 2.290 63 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 63 L C -0.362 176.549 176.870 0.069 0.000 1.078 63 L CA 0.167 55.033 54.840 0.043 0.000 0.815 63 L CB 0.864 42.933 42.059 0.017 0.000 1.162 63 L HN 0.648 nan 8.230 nan 0.000 0.435 64 C N 4.000 123.353 119.300 0.089 0.000 2.536 64 C HA 0.380 4.840 4.460 -0.000 0.000 0.396 64 C C 1.079 176.095 174.990 0.044 0.000 1.279 64 C CA -0.269 58.794 59.018 0.074 0.000 2.148 64 C CB 0.336 28.119 27.740 0.072 0.000 2.584 64 C HN 0.940 nan 8.230 nan 0.000 0.579 65 D N -0.535 119.884 120.400 0.031 0.000 2.474 65 D HA 0.223 4.863 4.640 -0.000 0.000 0.213 65 D C 1.368 177.678 176.300 0.017 0.000 1.120 65 D CA 0.572 54.585 54.000 0.022 0.000 0.836 65 D CB -0.233 40.578 40.800 0.018 0.000 1.019 65 D HN 0.928 nan 8.370 nan 0.000 0.507 66 G N 0.665 109.472 108.800 0.012 0.000 2.153 66 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 66 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 66 G C 0.470 175.373 174.900 0.005 0.000 0.994 66 G CA 0.647 45.750 45.100 0.005 0.000 0.698 66 G HN 0.863 nan 8.290 nan 0.000 0.521 67 S N -1.031 114.673 115.700 0.007 0.000 2.624 67 S HA 0.519 4.989 4.470 -0.000 0.000 0.263 67 S C 1.258 175.863 174.600 0.008 0.000 1.287 67 S CA 0.567 58.773 58.200 0.010 0.000 0.990 67 S CB 1.836 65.043 63.200 0.012 0.000 0.950 67 S HN 0.553 nan 8.310 nan 0.000 0.561 68 E N 0.716 120.925 120.200 0.015 0.000 2.051 68 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 68 E C 1.541 178.151 176.600 0.017 0.000 0.991 68 E CA 1.608 58.020 56.400 0.021 0.000 0.799 68 E CB -0.285 29.432 29.700 0.029 0.000 0.748 68 E HN 0.820 nan 8.360 nan 0.000 0.449 69 E N 0.865 121.075 120.200 0.016 0.000 2.110 69 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 69 E C 1.933 178.536 176.600 0.005 0.000 0.988 69 E CA 1.395 57.804 56.400 0.015 0.000 0.804 69 E CB -0.219 29.491 29.700 0.017 0.000 0.745 69 E HN 0.428 nan 8.360 nan 0.000 0.458 70 E N 0.629 120.830 120.200 0.002 0.000 2.077 70 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 70 E C 2.197 178.775 176.600 -0.036 0.000 0.989 70 E CA 1.362 57.757 56.400 -0.008 0.000 0.800 70 E CB -0.389 29.309 29.700 -0.003 0.000 0.746 70 E HN 0.300 nan 8.360 nan 0.000 0.452 71 G N 1.118 109.895 108.800 -0.038 0.000 2.446 71 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 71 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 71 G C 1.524 176.375 174.900 -0.082 0.000 1.168 71 G CA 1.079 46.140 45.100 -0.065 0.000 0.771 71 G HN 0.220 nan 8.290 nan 0.000 0.551 72 K N 0.173 120.551 120.400 -0.037 0.000 2.026 72 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 72 K C 2.367 178.934 176.600 -0.056 0.000 1.048 72 K CA 1.294 57.563 56.287 -0.030 0.000 0.929 72 K CB -0.186 32.326 32.500 0.021 0.000 0.713 72 K HN 0.357 nan 8.250 nan 0.000 0.439 73 E N 1.074 121.253 120.200 -0.036 0.000 2.070 73 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 73 E C 1.964 178.528 176.600 -0.060 0.000 1.004 73 E CA 1.232 57.615 56.400 -0.028 0.000 0.805 73 E CB -0.034 29.665 29.700 -0.003 0.000 0.744 73 E HN 0.185 nan 8.360 nan 0.000 0.451 74 L N 0.089 121.253 121.223 -0.098 0.000 2.027 74 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 74 L C 2.493 179.241 176.870 -0.204 0.000 1.074 74 L CA 0.834 55.586 54.840 -0.147 0.000 0.745 74 L CB -0.412 41.531 42.059 -0.194 0.000 0.898 74 L HN 0.220 nan 8.230 nan 0.000 0.433 75 L N -0.714 120.332 121.223 -0.295 0.000 2.013 75 L HA -0.256 4.083 4.340 -0.000 0.000 0.212 75 L C 2.916 179.555 176.870 -0.385 0.000 1.073 75 L CA 1.349 55.872 54.840 -0.529 0.000 0.753 75 L CB -0.572 41.015 42.059 -0.787 0.000 0.890 75 L HN 0.216 nan 8.230 nan 0.000 0.432 76 R N -0.173 120.205 120.500 -0.203 0.000 2.097 76 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 76 R C 2.314 178.577 176.300 -0.061 0.000 1.135 76 R CA 1.740 57.791 56.100 -0.082 0.000 0.934 76 R CB -0.953 29.330 30.300 -0.029 0.000 0.846 76 R HN 0.497 nan 8.270 nan 0.000 0.431 77 G N 0.842 109.607 108.800 -0.059 0.000 2.418 77 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 77 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 77 G C 1.490 176.368 174.900 -0.036 0.000 1.158 77 G CA 0.460 45.543 45.100 -0.029 0.000 0.771 77 G HN 0.164 nan 8.290 nan 0.000 0.545 78 L N -0.242 120.936 121.223 -0.074 0.000 2.093 78 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 78 L C 2.982 179.827 176.870 -0.043 0.000 1.085 78 L CA 1.323 56.131 54.840 -0.055 0.000 0.755 78 L CB -0.300 41.718 42.059 -0.068 0.000 0.904 78 L HN 0.330 nan 8.230 nan 0.000 0.435 79 Q N 0.013 119.779 119.800 -0.056 0.000 2.079 79 Q HA -0.260 4.080 4.340 -0.000 0.000 0.200 79 Q C 1.798 177.805 176.000 0.011 0.000 0.974 79 Q CA 1.966 57.772 55.803 0.005 0.000 0.840 79 Q CB 0.059 28.851 28.738 0.091 0.000 0.898 79 Q HN 0.379 nan 8.270 nan 0.000 0.430 80 D N 0.439 120.846 120.400 0.012 0.000 2.123 80 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 80 D C 1.160 177.469 176.300 0.015 0.000 0.992 80 D CA 1.524 55.536 54.000 0.019 0.000 0.833 80 D CB -0.127 40.684 40.800 0.018 0.000 0.954 80 D HN 0.265 nan 8.370 nan 0.000 0.455 81 D N -0.830 119.574 120.400 0.006 0.000 2.309 81 D HA -0.007 4.633 4.640 -0.000 0.000 0.212 81 D C 1.669 177.977 176.300 0.015 0.000 0.968 81 D CA 1.338 55.344 54.000 0.009 0.000 0.882 81 D CB -0.155 40.647 40.800 0.004 0.000 0.918 81 D HN 0.440 nan 8.370 nan 0.000 0.503 82 G N -0.056 108.741 108.800 -0.006 0.000 2.143 82 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.249 82 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.249 82 G C 1.215 176.080 174.900 -0.058 0.000 0.981 82 G CA 0.488 45.570 45.100 -0.029 0.000 0.665 82 G HN 0.334 nan 8.290 nan 0.000 0.528 83 V N -0.050 119.856 119.914 -0.013 0.000 2.407 83 V HA 0.260 4.380 4.120 -0.000 0.000 0.245 83 V C 1.653 177.789 176.094 0.070 0.000 1.041 83 V CA 1.556 63.911 62.300 0.091 0.000 1.040 83 V CB -0.103 31.788 31.823 0.114 0.000 0.671 83 V HN 0.395 nan 8.190 nan 0.000 0.455 84 L N -0.215 120.998 121.223 -0.017 0.000 2.325 84 L HA 0.522 4.862 4.340 -0.000 0.000 0.278 84 L C -0.837 175.993 176.870 -0.066 0.000 1.023 84 L CA -0.552 54.349 54.840 0.101 0.000 0.811 84 L CB 1.484 43.650 42.059 0.178 0.000 1.249 84 L HN 0.312 nan 8.230 nan 0.000 0.431 85 H N 2.053 121.363 119.070 0.400 0.000 2.495 85 H HA 0.398 4.954 4.556 -0.000 0.000 0.348 85 H C -2.373 173.160 175.328 0.342 0.000 1.113 85 H CA -1.824 54.418 56.048 0.323 0.000 1.195 85 H CB 1.399 31.290 29.762 0.215 0.000 1.521 85 H HN 0.335 nan 8.280 nan 0.000 0.509 86 P HA 0.102 nan 4.420 nan 0.000 0.274 86 P C -0.597 176.625 177.300 -0.129 0.000 1.237 86 P CA -0.396 62.582 63.100 -0.204 0.000 0.793 86 P CB 1.445 32.987 31.700 -0.264 0.000 0.977 87 L N 3.070 124.134 121.223 -0.266 0.000 2.495 87 L HA 0.277 4.617 4.340 -0.000 0.000 0.248 87 L C -1.423 175.300 176.870 -0.245 0.000 1.229 87 L CA -1.580 53.171 54.840 -0.149 0.000 0.942 87 L CB 1.604 43.694 42.059 0.053 0.000 1.242 87 L HN 0.214 nan 8.230 nan 0.000 0.484 88 P HA -0.157 nan 4.420 nan 0.000 0.228 88 P C 1.233 178.379 177.300 -0.257 0.000 1.151 88 P CA 0.901 63.870 63.100 -0.217 0.000 0.770 88 P CB 0.348 31.954 31.700 -0.157 0.000 0.786 89 K N -1.128 119.013 120.400 -0.431 0.000 2.211 89 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 89 K C 0.501 176.785 176.600 -0.528 0.000 1.050 89 K CA 0.980 56.932 56.287 -0.559 0.000 0.945 89 K CB -0.018 31.997 32.500 -0.808 0.000 0.732 89 K HN 0.183 nan 8.250 nan 0.000 0.451 90 Y N -0.380 119.888 120.300 -0.054 0.000 2.732 90 Y HA 0.242 4.792 4.550 -0.000 0.000 0.327 90 Y C -0.079 175.803 175.900 -0.031 0.000 1.162 90 Y CA -1.991 56.097 58.100 -0.021 0.000 1.238 90 Y CB 0.194 38.670 38.460 0.025 0.000 1.443 90 Y HN -0.179 nan 8.280 nan 0.000 0.584 91 D N 0.833 121.352 120.400 0.199 0.000 2.454 91 D HA 0.132 4.772 4.640 -0.000 0.000 0.225 91 D C -0.436 175.931 176.300 0.112 0.000 1.081 91 D CA -0.231 53.834 54.000 0.108 0.000 0.864 91 D CB -0.353 40.506 40.800 0.099 0.000 1.040 91 D HN 0.599 nan 8.370 nan 0.000 0.517 92 N N 2.563 121.301 118.700 0.063 0.000 2.738 92 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 92 N C -1.511 174.092 175.510 0.154 0.000 1.047 92 N CA 0.534 53.666 53.050 0.137 0.000 0.707 92 N CB -1.516 37.119 38.487 0.247 0.000 0.937 92 N HN 0.317 nan 8.380 nan 0.000 0.545 93 C N 0.053 119.325 119.300 -0.048 0.000 2.454 93 C HA 0.817 5.277 4.460 -0.000 0.000 0.336 93 C C -0.056 174.817 174.990 -0.195 0.000 1.189 93 C CA -0.556 58.545 59.018 0.139 0.000 1.877 93 C CB 0.419 28.405 27.740 0.411 0.000 2.348 93 C HN 0.522 nan 8.230 nan 0.000 0.508 94 W N 1.474 122.999 121.300 0.375 0.000 3.107 94 W HA 0.663 5.323 4.660 -0.000 0.000 0.331 94 W C -0.921 175.859 176.519 0.435 0.000 1.204 94 W CA -0.656 56.891 57.345 0.336 0.000 1.184 94 W CB 1.077 30.683 29.460 0.242 0.000 1.421 94 W HN 0.385 nan 8.180 nan 0.000 0.544 95 L N 2.679 124.280 121.223 0.630 0.000 2.356 95 L HA 0.932 5.272 4.340 -0.000 0.000 0.277 95 L C -0.572 176.641 176.870 0.572 0.000 0.996 95 L CA -0.704 54.474 54.840 0.562 0.000 0.822 95 L CB 1.097 43.409 42.059 0.422 0.000 1.256 95 L HN 0.512 nan 8.230 nan 0.000 0.413 96 A N 5.417 128.542 122.820 0.509 0.000 2.325 96 A HA 0.903 5.223 4.320 -0.000 0.000 0.333 96 A C -0.547 177.210 177.584 0.288 0.000 1.155 96 A CA -0.716 51.583 52.037 0.436 0.000 0.814 96 A CB 0.917 20.191 19.000 0.457 0.000 1.206 96 A HN 0.770 nan 8.150 nan 0.000 0.482 97 R N 0.386 121.028 120.500 0.236 0.000 2.599 97 R HA 0.615 4.955 4.340 -0.000 0.000 0.295 97 R C -0.467 175.762 176.300 -0.118 0.000 0.963 97 R CA -0.421 55.744 56.100 0.108 0.000 0.883 97 R CB 2.194 32.591 30.300 0.161 0.000 1.171 97 R HN 0.886 nan 8.270 nan 0.000 0.450 98 T N -2.208 112.135 114.554 -0.352 0.000 2.950 98 T HA 0.191 4.541 4.350 -0.000 0.000 0.288 98 T C 0.011 174.524 174.700 -0.312 0.000 1.035 98 T CA -0.950 60.607 62.100 -0.904 0.000 1.028 98 T CB 1.606 69.547 68.868 -1.545 0.000 1.109 98 T HN 0.401 nan 8.240 nan 0.000 0.514 99 D N 1.626 121.881 120.400 -0.241 0.000 2.493 99 D HA 0.092 4.732 4.640 -0.000 0.000 0.240 99 D C -1.419 174.889 176.300 0.015 0.000 1.142 99 D CA -1.483 52.528 54.000 0.019 0.000 0.872 99 D CB 1.334 42.251 40.800 0.195 0.000 1.173 99 D HN 0.240 nan 8.370 nan 0.000 0.467 100 P HA -0.088 nan 4.420 nan 0.000 0.223 100 P C 0.841 178.196 177.300 0.092 0.000 1.144 100 P CA 1.003 64.240 63.100 0.228 0.000 0.783 100 P CB 0.188 32.007 31.700 0.198 0.000 0.771 101 R N -1.174 119.362 120.500 0.061 0.000 2.299 101 R HA 0.035 4.375 4.340 -0.000 0.000 0.197 101 R C 0.314 176.628 176.300 0.024 0.000 0.971 101 R CA 0.516 56.643 56.100 0.045 0.000 1.030 101 R CB -0.177 30.161 30.300 0.063 0.000 0.932 101 R HN 0.092 nan 8.270 nan 0.000 0.477 102 D N 0.197 120.596 120.400 -0.002 0.000 2.513 102 D HA 0.066 4.705 4.640 -0.000 0.000 0.295 102 D C 0.359 176.561 176.300 -0.164 0.000 1.202 102 D CA -0.272 53.743 54.000 0.025 0.000 0.849 102 D CB 1.071 42.026 40.800 0.259 0.000 1.116 102 D HN -0.031 nan 8.370 nan 0.000 0.502 103 V N -0.460 119.244 119.914 -0.350 0.000 3.451 103 V HA 0.853 4.973 4.120 -0.000 0.000 0.288 103 V C 0.531 176.002 176.094 -1.039 0.000 1.502 103 V CA 0.403 62.297 62.300 -0.678 0.000 1.026 103 V CB -0.058 31.212 31.823 -0.922 0.000 0.840 103 V HN 0.370 nan 8.190 nan 0.000 0.437 104 A N 0.096 122.337 122.820 -0.964 0.000 2.564 104 A HA 0.746 5.066 4.320 -0.000 0.000 0.291 104 A C -0.595 176.826 177.584 -0.271 0.000 1.102 104 A CA -1.069 50.453 52.037 -0.859 0.000 0.660 104 A CB 0.948 19.740 19.000 -0.346 0.000 1.283 104 A HN 0.241 nan 8.150 nan 0.000 0.430 105 R N -0.572 119.969 120.500 0.068 0.000 2.694 105 R HA 0.427 4.766 4.340 -0.000 0.000 0.268 105 R C -0.952 175.383 176.300 0.058 0.000 1.061 105 R CA -0.054 56.159 56.100 0.188 0.000 1.133 105 R CB 0.526 30.965 30.300 0.232 0.000 1.020 105 R HN 0.374 nan 8.270 nan 0.000 0.475 106 V N 2.821 122.784 119.914 0.083 0.000 2.284 106 V HA 0.081 4.201 4.120 -0.000 0.000 0.274 106 V C 0.639 176.757 176.094 0.040 0.000 1.023 106 V CA -0.320 61.998 62.300 0.029 0.000 0.808 106 V CB 1.027 32.882 31.823 0.053 0.000 1.035 106 V HN 0.832 nan 8.190 nan 0.000 0.445 107 E N 2.100 122.293 120.200 -0.011 0.000 2.106 107 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 107 E C 2.078 178.706 176.600 0.047 0.000 0.984 107 E CA 1.473 57.883 56.400 0.018 0.000 0.806 107 E CB 0.082 29.799 29.700 0.029 0.000 0.750 107 E HN 0.834 nan 8.360 nan 0.000 0.458 108 S N 0.655 116.375 115.700 0.034 0.000 2.515 108 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 108 S C 1.462 176.102 174.600 0.067 0.000 0.987 108 S CA 0.694 58.926 58.200 0.053 0.000 0.936 108 S CB 0.013 63.237 63.200 0.041 0.000 0.766 108 S HN 0.086 nan 8.310 nan 0.000 0.528 109 K N 0.938 121.385 120.400 0.079 0.000 2.414 109 K HA 0.223 4.543 4.320 -0.000 0.000 0.204 109 K C -0.641 176.041 176.600 0.136 0.000 1.026 109 K CA -0.042 56.306 56.287 0.103 0.000 1.108 109 K CB 0.985 33.549 32.500 0.107 0.000 0.855 109 K HN 0.204 nan 8.250 nan 0.000 0.517 110 T N 1.708 116.343 114.554 0.136 0.000 2.771 110 T HA 0.384 4.734 4.350 -0.000 0.000 0.281 110 T C -0.475 174.328 174.700 0.172 0.000 0.982 110 T CA -0.697 61.516 62.100 0.188 0.000 0.978 110 T CB 1.538 70.518 68.868 0.186 0.000 0.930 110 T HN 0.018 nan 8.240 nan 0.000 0.447 111 V N 1.784 121.829 119.914 0.219 0.000 2.962 111 V HA 0.755 4.875 4.120 -0.000 0.000 0.313 111 V C -1.212 174.999 176.094 0.196 0.000 1.099 111 V CA -1.308 61.085 62.300 0.155 0.000 0.971 111 V CB 1.793 33.664 31.823 0.081 0.000 1.028 111 V HN 0.767 nan 8.190 nan 0.000 0.430 112 L N 3.311 124.606 121.223 0.121 0.000 2.287 112 L HA 0.648 4.988 4.340 -0.000 0.000 0.287 112 L C -0.643 176.245 176.870 0.031 0.000 1.022 112 L CA -0.814 54.098 54.840 0.120 0.000 0.814 112 L CB 1.878 44.032 42.059 0.158 0.000 1.217 112 L HN 0.555 nan 8.230 nan 0.000 0.420 113 V N 2.347 122.222 119.914 -0.065 0.000 2.318 113 V HA 0.469 4.589 4.120 -0.000 0.000 0.271 113 V C 0.243 176.340 176.094 0.006 0.000 1.030 113 V CA -0.303 61.894 62.300 -0.171 0.000 0.844 113 V CB 1.133 32.691 31.823 -0.442 0.000 1.015 113 V HN 0.895 nan 8.190 nan 0.000 0.460 114 T N 2.503 117.179 114.554 0.203 0.000 2.909 114 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 114 T C -2.323 172.629 174.700 0.420 0.000 1.073 114 T CA -2.023 60.251 62.100 0.291 0.000 0.999 114 T CB 2.549 71.588 68.868 0.286 0.000 1.098 114 T HN 0.228 nan 8.240 nan 0.000 0.477 115 P HA -0.008 nan 4.420 nan 0.000 0.216 115 P C 0.207 177.656 177.300 0.248 0.000 1.150 115 P CA 1.144 64.385 63.100 0.234 0.000 0.837 115 P CB 0.201 31.975 31.700 0.123 0.000 0.786 116 E N -0.751 119.528 120.200 0.131 0.000 2.151 116 E HA 0.074 4.424 4.350 -0.000 0.000 0.275 116 E C 0.674 177.059 176.600 -0.358 0.000 0.936 116 E CA -0.307 56.044 56.400 -0.080 0.000 0.777 116 E CB 1.322 30.978 29.700 -0.074 0.000 1.108 116 E HN 0.117 nan 8.360 nan 0.000 0.401 117 Q N 2.435 121.660 119.800 -0.957 0.000 2.135 117 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 117 Q C 1.490 177.091 176.000 -0.665 0.000 0.981 117 Q CA 2.218 57.067 55.803 -1.591 0.000 0.856 117 Q CB 0.149 27.897 28.738 -1.650 0.000 0.902 117 Q HN 0.507 nan 8.270 nan 0.000 0.425 118 S N -0.473 114.984 115.700 -0.405 0.000 2.453 118 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 118 S C 1.131 175.652 174.600 -0.132 0.000 1.005 118 S CA 1.056 59.120 58.200 -0.226 0.000 0.949 118 S CB -0.075 63.026 63.200 -0.165 0.000 0.774 118 S HN 0.368 nan 8.310 nan 0.000 0.510 119 D N 2.032 122.367 120.400 -0.108 0.000 2.224 119 D HA 0.197 4.837 4.640 -0.000 0.000 0.205 119 D C 2.023 178.351 176.300 0.047 0.000 0.965 119 D CA 1.243 55.239 54.000 -0.007 0.000 0.852 119 D CB -0.286 40.524 40.800 0.017 0.000 0.947 119 D HN 0.585 nan 8.370 nan 0.000 0.494 120 A N -0.050 122.777 122.820 0.012 0.000 1.924 120 A HA 0.283 4.603 4.320 -0.000 0.000 0.211 120 A C 0.938 178.514 177.584 -0.012 0.000 1.198 120 A CA 0.709 52.795 52.037 0.082 0.000 0.657 120 A CB 0.300 19.446 19.000 0.244 0.000 0.852 120 A HN 0.111 nan 8.150 nan 0.000 0.454 121 V N -4.947 114.912 119.914 -0.092 0.000 3.147 121 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 121 V C -3.441 172.536 176.094 -0.195 0.000 1.209 121 V CA -2.720 59.487 62.300 -0.154 0.000 1.023 121 V CB 1.573 33.341 31.823 -0.091 0.000 1.059 121 V HN 0.050 nan 8.190 nan 0.000 0.435 122 P HA 0.398 nan 4.420 nan 0.000 0.274 122 P C -2.828 174.362 177.300 -0.183 0.000 1.260 122 P CA -1.359 61.608 63.100 -0.221 0.000 0.793 122 P CB -0.607 30.902 31.700 -0.319 0.000 1.048 123 P HA 0.091 nan 4.420 nan 0.000 0.264 123 P C -2.250 174.983 177.300 -0.112 0.000 1.183 123 P CA -0.389 62.640 63.100 -0.119 0.000 0.763 123 P CB -1.213 30.434 31.700 -0.087 0.000 0.807 124 P HA 0.052 nan 4.420 nan 0.000 0.265 124 P C -2.305 174.959 177.300 -0.059 0.000 1.187 124 P CA -0.644 62.419 63.100 -0.061 0.000 0.766 124 P CB -0.892 30.789 31.700 -0.031 0.000 0.820 125 P HA 0.046 nan 4.420 nan 0.000 0.262 125 P C -1.904 175.377 177.300 -0.032 0.000 1.199 125 P CA -0.878 62.190 63.100 -0.053 0.000 0.763 125 P CB -0.315 31.357 31.700 -0.047 0.000 0.790 126 P HA -0.127 nan 4.420 nan 0.000 0.219 126 P C 0.997 178.290 177.300 -0.011 0.000 1.146 126 P CA 1.459 64.547 63.100 -0.019 0.000 0.808 126 P CB -0.034 31.655 31.700 -0.017 0.000 0.779 127 S N -1.879 113.814 115.700 -0.010 0.000 2.607 127 S HA 0.207 4.677 4.470 -0.000 0.000 0.224 127 S C 1.689 176.289 174.600 -0.000 0.000 0.969 127 S CA 0.883 59.081 58.200 -0.004 0.000 0.927 127 S CB -0.792 62.407 63.200 -0.002 0.000 0.772 127 S HN 0.359 nan 8.310 nan 0.000 0.533 128 G N 1.018 109.817 108.800 -0.002 0.000 2.199 128 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.254 128 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.254 128 G C 0.429 175.333 174.900 0.008 0.000 0.982 128 G CA -0.170 44.932 45.100 0.004 0.000 0.632 128 G HN 0.820 nan 8.290 nan 0.000 0.529 129 G N 0.567 109.371 108.800 0.006 0.000 2.732 129 G HA2 0.473 4.433 3.960 -0.000 0.000 0.244 129 G HA3 0.473 4.433 3.960 -0.000 0.000 0.244 129 G C -1.587 173.321 174.900 0.013 0.000 1.226 129 G CA -0.053 45.054 45.100 0.012 0.000 0.860 129 G HN 0.318 nan 8.290 nan 0.000 0.583 130 P HA 0.199 nan 4.420 nan 0.000 0.271 130 P C -2.174 175.137 177.300 0.019 0.000 1.218 130 P CA -0.952 62.165 63.100 0.029 0.000 0.780 130 P CB 0.332 32.058 31.700 0.043 0.000 0.901 131 P HA 0.023 nan 4.420 nan 0.000 0.269 131 P C -0.063 177.238 177.300 0.002 0.000 1.209 131 P CA 0.276 63.373 63.100 -0.006 0.000 0.776 131 P CB 0.679 32.385 31.700 0.010 0.000 0.876 132 Q N 1.209 120.992 119.800 -0.028 0.000 2.189 132 Q HA 0.257 4.597 4.340 -0.000 0.000 0.223 132 Q C 0.728 176.735 176.000 0.012 0.000 0.828 132 Q CA 0.219 56.029 55.803 0.012 0.000 0.967 132 Q CB 0.532 29.303 28.738 0.054 0.000 1.139 132 Q HN 0.500 nan 8.270 nan 0.000 0.497 133 L N -0.517 120.672 121.223 -0.057 0.000 3.267 133 L HA 0.520 4.859 4.340 -0.000 0.000 0.289 133 L C 0.246 177.116 176.870 -0.001 0.000 1.260 133 L CA -0.303 54.503 54.840 -0.056 0.000 1.034 133 L CB 1.238 43.079 42.059 -0.364 0.000 1.413 133 L HN 0.108 nan 8.230 nan 0.000 0.594 134 G N 0.158 108.974 108.800 0.027 0.000 2.375 134 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.663 134 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.663 134 G C -1.530 173.409 174.900 0.064 0.000 1.391 134 G CA -0.992 44.138 45.100 0.051 0.000 0.949 134 G HN 0.196 nan 8.290 nan 0.000 0.646 135 N N 0.060 118.816 118.700 0.094 0.000 2.476 135 N HA 0.476 5.215 4.740 -0.000 0.000 0.257 135 N C -0.544 175.067 175.510 0.169 0.000 0.970 135 N CA -0.514 52.607 53.050 0.119 0.000 0.938 135 N CB 1.627 40.170 38.487 0.093 0.000 1.144 135 N HN 0.667 nan 8.380 nan 0.000 0.500 136 W N 4.734 126.043 121.300 0.016 0.000 2.261 136 W HA 0.436 5.096 4.660 -0.000 0.000 0.323 136 W C -0.709 175.833 176.519 0.038 0.000 1.243 136 W CA -0.653 56.704 57.345 0.020 0.000 1.210 136 W CB 0.636 30.099 29.460 0.005 0.000 1.149 136 W HN 0.311 nan 8.180 nan 0.000 0.562 137 M N 6.426 125.554 119.600 -0.788 0.000 2.327 137 M HA 0.303 4.783 4.480 -0.000 0.000 0.298 137 M C -0.210 175.294 176.300 -1.326 0.000 1.065 137 M CA -0.560 54.221 55.300 -0.867 0.000 0.916 137 M CB 1.536 33.949 32.600 -0.312 0.000 1.630 137 M HN 0.541 nan 8.290 nan 0.000 0.442 138 S N 4.281 119.175 115.700 -1.345 0.000 2.579 138 S HA 0.330 4.800 4.470 -0.000 0.000 0.275 138 S C -2.258 172.197 174.600 -0.242 0.000 1.345 138 S CA -0.801 56.949 58.200 -0.750 0.000 1.031 138 S CB 0.427 63.395 63.200 -0.386 0.000 0.892 138 S HN 0.619 nan 8.310 nan 0.000 0.529 139 P HA -0.132 nan 4.420 nan 0.000 0.216 139 P C 0.885 178.237 177.300 0.086 0.000 1.154 139 P CA 1.675 64.818 63.100 0.072 0.000 0.865 139 P CB -0.197 31.554 31.700 0.085 0.000 0.789 140 N N -0.805 117.913 118.700 0.030 0.000 2.142 140 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 140 N C 1.800 177.303 175.510 -0.012 0.000 1.023 140 N CA 0.964 54.021 53.050 0.012 0.000 0.852 140 N CB -0.480 38.015 38.487 0.014 0.000 0.998 140 N HN 0.051 nan 8.380 nan 0.000 0.424 141 A N 0.874 123.671 122.820 -0.038 0.000 1.902 141 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 141 A C 1.959 179.540 177.584 -0.005 0.000 1.181 141 A CA 1.013 53.021 52.037 -0.048 0.000 0.623 141 A CB -0.838 18.098 19.000 -0.107 0.000 0.818 141 A HN 0.391 nan 8.150 nan 0.000 0.443 142 F N 1.071 120.948 119.950 -0.121 0.000 2.102 142 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 142 F C 2.448 178.214 175.800 -0.057 0.000 1.105 142 F CA 2.183 60.131 58.000 -0.086 0.000 1.239 142 F CB -0.652 38.294 39.000 -0.089 0.000 0.991 142 F HN 0.388 nan 8.300 nan 0.000 0.474 143 Q N 1.240 120.941 119.800 -0.166 0.000 2.077 143 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 143 Q C 2.108 177.968 176.000 -0.233 0.000 0.989 143 Q CA 2.709 58.375 55.803 -0.229 0.000 0.853 143 Q CB -1.007 27.690 28.738 -0.069 0.000 0.907 143 Q HN 0.429 nan 8.270 nan 0.000 0.418 144 A N 0.517 123.247 122.820 -0.149 0.000 1.902 144 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 144 A C 2.392 179.885 177.584 -0.151 0.000 1.181 144 A CA 1.913 53.876 52.037 -0.122 0.000 0.623 144 A CB -1.290 17.664 19.000 -0.076 0.000 0.818 144 A HN 0.661 nan 8.150 nan 0.000 0.443 145 A N -0.605 122.113 122.820 -0.171 0.000 1.933 145 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 145 A C 2.221 179.674 177.584 -0.218 0.000 1.175 145 A CA 1.761 53.702 52.037 -0.161 0.000 0.628 145 A CB -0.842 18.108 19.000 -0.084 0.000 0.814 145 A HN 0.366 nan 8.150 nan 0.000 0.444 146 V N -0.158 119.552 119.914 -0.340 0.000 2.358 146 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 146 V C 2.706 178.729 176.094 -0.118 0.000 1.047 146 V CA 1.966 64.123 62.300 -0.239 0.000 1.035 146 V CB -0.666 30.843 31.823 -0.522 0.000 0.658 146 V HN 0.523 nan 8.190 nan 0.000 0.452 147 Q N -0.102 119.603 119.800 -0.158 0.000 2.170 147 Q HA -0.242 4.098 4.340 -0.000 0.000 0.203 147 Q C 2.234 178.169 176.000 -0.109 0.000 0.976 147 Q CA 1.906 57.646 55.803 -0.106 0.000 0.858 147 Q CB -0.299 28.381 28.738 -0.098 0.000 0.907 147 Q HN 0.872 nan 8.270 nan 0.000 0.433 148 E N 0.113 120.227 120.200 -0.143 0.000 2.204 148 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 148 E C 1.616 178.073 176.600 -0.237 0.000 0.989 148 E CA 0.846 57.154 56.400 -0.155 0.000 0.824 148 E CB 0.235 29.850 29.700 -0.142 0.000 0.756 148 E HN 0.201 nan 8.360 nan 0.000 0.477 149 R N -1.417 118.855 120.500 -0.380 0.000 2.144 149 R HA 0.185 4.525 4.340 -0.000 0.000 0.195 149 R C 1.933 177.856 176.300 -0.629 0.000 1.077 149 R CA 0.553 56.146 56.100 -0.845 0.000 1.120 149 R CB -0.198 29.035 30.300 -1.778 0.000 1.060 149 R HN 0.101 nan 8.270 nan 0.000 0.520 150 F N 1.606 121.354 119.950 -0.336 0.000 2.234 150 F HA 0.099 4.626 4.527 -0.000 0.000 0.296 150 F C -1.311 174.478 175.800 -0.018 0.000 1.089 150 F CA -0.307 57.649 58.000 -0.073 0.000 1.343 150 F CB -0.882 38.083 39.000 -0.059 0.000 1.040 150 F HN -0.209 nan 8.300 nan 0.000 0.498 151 P HA 0.064 nan 4.420 nan 0.000 0.258 151 P C 0.645 177.971 177.300 0.043 0.000 1.187 151 P CA 1.502 64.635 63.100 0.055 0.000 0.767 151 P CB -0.013 31.694 31.700 0.012 0.000 0.770 152 G N 3.146 111.974 108.800 0.048 0.000 2.155 152 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.257 152 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.257 152 G C 1.130 176.051 174.900 0.035 0.000 0.983 152 G CA 0.290 45.408 45.100 0.030 0.000 0.676 152 G HN 0.685 nan 8.290 nan 0.000 0.528 153 C N -1.471 117.869 119.300 0.067 0.000 2.432 153 C HA 0.419 4.879 4.460 -0.000 0.000 0.282 153 C C 2.356 177.349 174.990 0.004 0.000 1.388 153 C CA 1.398 60.452 59.018 0.059 0.000 1.777 153 C CB -0.663 27.161 27.740 0.141 0.000 1.882 153 C HN 0.493 nan 8.230 nan 0.000 0.520 154 M N 1.354 120.963 119.600 0.015 0.000 2.419 154 M HA 0.302 4.782 4.480 -0.000 0.000 0.252 154 M C 1.078 177.365 176.300 -0.022 0.000 1.143 154 M CA -0.015 55.277 55.300 -0.013 0.000 0.985 154 M CB -0.058 32.541 32.600 -0.003 0.000 1.489 154 M HN 0.362 nan 8.290 nan 0.000 0.484 155 A N 0.873 123.683 122.820 -0.015 0.000 2.580 155 A HA 0.328 4.648 4.320 -0.000 0.000 0.244 155 A C 1.484 179.053 177.584 -0.026 0.000 1.045 155 A CA 1.088 53.114 52.037 -0.018 0.000 0.761 155 A CB -0.628 18.365 19.000 -0.012 0.000 0.962 155 A HN 0.892 nan 8.150 nan 0.000 0.512 156 G N 2.301 111.084 108.800 -0.028 0.000 2.184 156 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 156 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 156 G C 0.340 175.220 174.900 -0.034 0.000 0.975 156 G CA 0.815 45.898 45.100 -0.028 0.000 0.642 156 G HN 0.999 nan 8.290 nan 0.000 0.536 157 R N 0.310 120.785 120.500 -0.042 0.000 2.778 157 R HA 0.544 4.884 4.340 -0.000 0.000 0.277 157 R C -2.831 173.415 176.300 -0.090 0.000 0.977 157 R CA -2.115 53.956 56.100 -0.048 0.000 0.950 157 R CB 1.806 32.085 30.300 -0.035 0.000 1.165 157 R HN 0.047 nan 8.270 nan 0.000 0.474 158 P HA 0.093 nan 4.420 nan 0.000 0.274 158 P C -0.950 176.148 177.300 -0.336 0.000 1.231 158 P CA -0.410 62.500 63.100 -0.316 0.000 0.790 158 P CB 0.638 31.996 31.700 -0.571 0.000 0.951 159 L N 3.344 124.377 121.223 -0.317 0.000 2.282 159 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 159 L C -1.131 175.563 176.870 -0.293 0.000 1.033 159 L CA -0.678 54.045 54.840 -0.195 0.000 0.807 159 L CB 0.229 42.227 42.059 -0.102 0.000 1.209 159 L HN 0.265 nan 8.230 nan 0.000 0.423 160 Y N 3.938 124.244 120.300 0.010 0.000 2.330 160 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 160 Y C 0.016 175.930 175.900 0.025 0.000 1.036 160 Y CA -0.700 57.407 58.100 0.012 0.000 1.125 160 Y CB 1.751 40.218 38.460 0.012 0.000 1.194 160 Y HN 0.211 nan 8.280 nan 0.000 0.469 161 V N 5.867 125.873 119.914 0.153 0.000 2.364 161 V HA 0.295 4.415 4.120 -0.000 0.000 0.272 161 V C -0.078 176.097 176.094 0.135 0.000 1.036 161 V CA -0.629 61.740 62.300 0.116 0.000 0.880 161 V CB 0.489 32.343 31.823 0.052 0.000 0.991 161 V HN 0.578 nan 8.190 nan 0.000 0.460 162 I N 7.499 128.169 120.570 0.166 0.000 2.388 162 I HA 0.353 4.523 4.170 -0.000 0.000 0.281 162 I C -2.567 173.692 176.117 0.236 0.000 1.046 162 I CA -1.956 59.447 61.300 0.172 0.000 1.187 162 I CB 1.670 39.759 38.000 0.148 0.000 1.351 162 I HN 0.410 nan 8.210 nan 0.000 0.472 163 P HA 0.271 nan 4.420 nan 0.000 0.282 163 P C -0.950 176.441 177.300 0.151 0.000 1.262 163 P CA -0.041 63.095 63.100 0.059 0.000 0.773 163 P CB 0.359 32.044 31.700 -0.024 0.000 0.879 164 F N -0.114 119.831 119.950 -0.008 0.000 2.613 164 F HA 0.823 5.350 4.527 -0.000 0.000 0.314 164 F C -0.807 175.012 175.800 0.032 0.000 1.075 164 F CA -1.282 56.724 58.000 0.010 0.000 0.945 164 F CB 1.384 40.395 39.000 0.018 0.000 1.310 164 F HN 0.163 nan 8.300 nan 0.000 0.467 165 S N 2.379 118.196 115.700 0.195 0.000 2.526 165 S HA 0.735 5.205 4.470 -0.000 0.000 0.293 165 S C -1.043 173.704 174.600 0.246 0.000 1.092 165 S CA -0.799 57.474 58.200 0.121 0.000 0.980 165 S CB 0.987 64.222 63.200 0.058 0.000 1.048 165 S HN 0.612 nan 8.310 nan 0.000 0.483 166 M N 3.814 123.572 119.600 0.263 0.000 2.101 166 M HA 0.544 5.024 4.480 -0.000 0.000 0.340 166 M C 0.626 176.953 176.300 0.045 0.000 1.057 166 M CA -0.007 55.400 55.300 0.177 0.000 0.984 166 M CB -0.135 32.649 32.600 0.306 0.000 1.560 166 M HN 1.050 nan 8.290 nan 0.000 0.435 167 G N 5.040 113.799 108.800 -0.068 0.000 2.612 167 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.686 167 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.686 167 G C -2.470 172.378 174.900 -0.086 0.000 1.274 167 G CA -1.181 43.863 45.100 -0.093 0.000 0.849 167 G HN 0.400 nan 8.290 nan 0.000 0.595 168 P HA -0.218 nan 4.420 nan 0.000 0.236 168 P C -1.246 175.979 177.300 -0.125 0.000 1.128 168 P CA 2.983 65.979 63.100 -0.173 0.000 0.971 168 P CB -0.474 31.135 31.700 -0.152 0.000 0.766 169 P HA 0.134 nan 4.420 nan 0.000 0.254 169 P C 0.727 178.005 177.300 -0.037 0.000 1.494 169 P CA 0.498 63.576 63.100 -0.036 0.000 0.961 169 P CB -0.404 31.290 31.700 -0.009 0.000 1.493 170 T N -2.052 112.469 114.554 -0.055 0.000 3.098 170 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 170 T C 0.873 175.542 174.700 -0.051 0.000 1.145 170 T CA 0.410 62.480 62.100 -0.051 0.000 1.092 170 T CB -0.606 68.228 68.868 -0.057 0.000 0.908 170 T HN 0.052 nan 8.240 nan 0.000 0.526 171 S N 1.258 116.925 115.700 -0.054 0.000 2.549 171 S HA 0.225 4.695 4.470 -0.000 0.000 0.283 171 S C -1.362 173.206 174.600 -0.053 0.000 1.320 171 S CA -1.408 56.759 58.200 -0.055 0.000 1.058 171 S CB 1.101 64.271 63.200 -0.050 0.000 0.882 171 S HN 0.210 nan 8.310 nan 0.000 0.498 172 P HA -0.083 nan 4.420 nan 0.000 0.217 172 P C 0.819 178.031 177.300 -0.146 0.000 1.148 172 P CA 1.198 64.240 63.100 -0.096 0.000 0.828 172 P CB 0.095 31.736 31.700 -0.098 0.000 0.783 173 L N -2.361 118.783 121.223 -0.132 0.000 2.591 173 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 173 L C 1.138 178.027 176.870 0.033 0.000 1.133 173 L CA -0.511 54.218 54.840 -0.185 0.000 0.880 173 L CB -0.570 41.422 42.059 -0.112 0.000 1.033 173 L HN -0.131 nan 8.230 nan 0.000 0.450 174 A N 0.804 123.663 122.820 0.065 0.000 2.483 174 A HA 0.381 4.701 4.320 -0.000 0.000 0.238 174 A C 0.038 177.746 177.584 0.206 0.000 1.070 174 A CA 0.406 52.544 52.037 0.168 0.000 0.770 174 A CB 0.268 19.307 19.000 0.064 0.000 1.008 174 A HN 0.249 nan 8.150 nan 0.000 0.497 175 K N 0.290 120.907 120.400 0.361 0.000 2.536 175 K HA 0.677 4.997 4.320 -0.000 0.000 0.269 175 K C -1.479 175.303 176.600 0.302 0.000 0.965 175 K CA -0.452 56.053 56.287 0.363 0.000 0.860 175 K CB 2.003 34.834 32.500 0.551 0.000 1.423 175 K HN 0.578 nan 8.250 nan 0.000 0.438 176 L N 0.066 121.362 121.223 0.121 0.000 2.286 176 L HA 0.870 5.210 4.340 -0.000 0.000 0.265 176 L C 0.100 176.707 176.870 -0.439 0.000 1.012 176 L CA -0.609 54.150 54.840 -0.135 0.000 0.818 176 L CB 2.247 44.248 42.059 -0.096 0.000 1.337 176 L HN 0.785 nan 8.230 nan 0.000 0.438 177 G N -0.495 107.776 108.800 -0.882 0.000 2.660 177 G HA2 0.631 4.591 3.960 -0.000 0.000 0.290 177 G HA3 0.631 4.591 3.960 -0.000 0.000 0.290 177 G C -2.187 172.299 174.900 -0.691 0.000 1.432 177 G CA -0.450 44.072 45.100 -0.964 0.000 0.807 177 G HN 0.290 nan 8.290 nan 0.000 0.485 178 V N 0.532 120.379 119.914 -0.111 0.000 2.483 178 V HA 0.524 4.644 4.120 -0.000 0.000 0.297 178 V C -0.246 176.126 176.094 0.464 0.000 1.027 178 V CA -0.602 61.788 62.300 0.150 0.000 0.855 178 V CB 1.426 33.309 31.823 0.099 0.000 0.995 178 V HN 0.829 nan 8.190 nan 0.000 0.424 179 Q N 3.655 123.773 119.800 0.531 0.000 2.307 179 Q HA 0.688 5.028 4.340 -0.000 0.000 0.262 179 Q C -0.784 175.411 176.000 0.326 0.000 0.961 179 Q CA -0.585 55.478 55.803 0.433 0.000 0.882 179 Q CB 2.055 30.952 28.738 0.265 0.000 1.264 179 Q HN 0.785 nan 8.270 nan 0.000 0.446 180 V N 1.104 121.208 119.914 0.316 0.000 2.532 180 V HA 0.865 4.985 4.120 -0.000 0.000 0.295 180 V C -0.355 175.883 176.094 0.240 0.000 1.041 180 V CA -0.262 62.155 62.300 0.195 0.000 0.926 180 V CB 1.516 33.360 31.823 0.034 0.000 0.992 180 V HN 0.808 nan 8.190 nan 0.000 0.457 181 T N 1.614 116.312 114.554 0.241 0.000 2.853 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.311 181 T C -0.663 174.205 174.700 0.280 0.000 1.307 181 T CA 0.191 62.475 62.100 0.306 0.000 1.019 181 T CB 1.998 71.062 68.868 0.328 0.000 1.264 181 T HN 1.012 nan 8.240 nan 0.000 0.497 182 D N 0.750 121.280 120.400 0.216 0.000 2.424 182 D HA 0.255 4.895 4.640 -0.000 0.000 0.220 182 D C 0.202 176.616 176.300 0.189 0.000 1.150 182 D CA -0.225 53.878 54.000 0.172 0.000 0.831 182 D CB 0.289 41.107 40.800 0.030 0.000 0.981 182 D HN 0.251 nan 8.370 nan 0.000 0.500 183 S N 0.687 116.503 115.700 0.193 0.000 2.566 183 S HA 0.432 4.902 4.470 -0.000 0.000 0.324 183 S C -2.038 172.529 174.600 -0.054 0.000 1.081 183 S CA -1.483 56.758 58.200 0.069 0.000 1.105 183 S CB 1.689 64.935 63.200 0.076 0.000 0.981 183 S HN -0.264 nan 8.310 nan 0.000 0.464 184 P HA -0.094 nan 4.420 nan 0.000 0.218 184 P C 0.981 178.175 177.300 -0.178 0.000 1.149 184 P CA 0.761 63.655 63.100 -0.344 0.000 0.817 184 P CB -0.092 31.471 31.700 -0.229 0.000 0.785 185 Y N 0.501 120.701 120.300 -0.166 0.000 2.128 185 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 185 Y C 2.050 177.889 175.900 -0.101 0.000 1.154 185 Y CA 1.484 59.533 58.100 -0.085 0.000 1.149 185 Y CB -0.991 37.462 38.460 -0.013 0.000 0.976 185 Y HN -0.283 nan 8.280 nan 0.000 0.505 186 V N -0.621 119.285 119.914 -0.013 0.000 2.295 186 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 186 V C 2.383 178.334 176.094 -0.239 0.000 1.049 186 V CA 1.736 63.942 62.300 -0.157 0.000 1.024 186 V CB -0.908 30.839 31.823 -0.127 0.000 0.648 186 V HN 0.398 nan 8.190 nan 0.000 0.447 187 V N -0.179 119.597 119.914 -0.230 0.000 2.252 187 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 187 V C 2.328 178.279 176.094 -0.240 0.000 1.056 187 V CA 2.305 64.456 62.300 -0.248 0.000 1.022 187 V CB -0.632 30.963 31.823 -0.380 0.000 0.641 187 V HN 0.444 nan 8.190 nan 0.000 0.445 188 L N -0.341 120.723 121.223 -0.266 0.000 2.046 188 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 188 L C 2.624 179.348 176.870 -0.244 0.000 1.077 188 L CA 1.698 56.395 54.840 -0.237 0.000 0.747 188 L CB -0.514 41.401 42.059 -0.241 0.000 0.896 188 L HN 0.314 nan 8.230 nan 0.000 0.432 189 S N -0.789 114.706 115.700 -0.341 0.000 2.368 189 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 189 S C 1.988 176.424 174.600 -0.273 0.000 1.029 189 S CA 1.074 59.071 58.200 -0.339 0.000 0.988 189 S CB -0.100 62.801 63.200 -0.499 0.000 0.838 189 S HN 0.267 nan 8.310 nan 0.000 0.462 190 M N 1.220 120.653 119.600 -0.278 0.000 2.159 190 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 190 M C 2.048 178.239 176.300 -0.182 0.000 1.063 190 M CA 1.321 56.463 55.300 -0.265 0.000 1.110 190 M CB -1.054 31.375 32.600 -0.284 0.000 1.374 190 M HN 0.240 nan 8.290 nan 0.000 0.411 191 R N -0.139 120.274 120.500 -0.145 0.000 2.120 191 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 191 R C 2.137 178.393 176.300 -0.074 0.000 1.123 191 R CA 1.115 57.163 56.100 -0.088 0.000 0.975 191 R CB -0.272 29.979 30.300 -0.082 0.000 0.866 191 R HN 0.346 nan 8.270 nan 0.000 0.446 192 I N -0.185 120.326 120.570 -0.098 0.000 2.333 192 I HA -0.189 3.981 4.170 -0.000 0.000 0.246 192 I C 1.938 178.000 176.117 -0.092 0.000 1.106 192 I CA 0.866 62.119 61.300 -0.078 0.000 1.411 192 I CB 0.008 37.964 38.000 -0.074 0.000 1.082 192 I HN 0.128 nan 8.210 nan 0.000 0.420 193 M N -0.020 119.504 119.600 -0.127 0.000 2.514 193 M HA 0.096 4.576 4.480 -0.000 0.000 0.258 193 M C 0.999 177.233 176.300 -0.109 0.000 1.119 193 M CA 0.689 55.905 55.300 -0.139 0.000 1.111 193 M CB -0.899 31.584 32.600 -0.196 0.000 1.390 193 M HN 0.316 nan 8.290 nan 0.000 0.475 194 T N -1.667 112.837 114.554 -0.084 0.000 2.804 194 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 194 T C -0.466 174.256 174.700 0.037 0.000 1.099 194 T CA -0.962 61.133 62.100 -0.008 0.000 1.011 194 T CB 2.124 70.986 68.868 -0.010 0.000 1.291 194 T HN -0.003 nan 8.240 nan 0.000 0.523 195 R N 0.558 121.114 120.500 0.093 0.000 2.216 195 R HA 0.644 4.984 4.340 -0.000 0.000 0.332 195 R C -0.938 175.425 176.300 0.106 0.000 1.056 195 R CA -0.319 55.827 56.100 0.077 0.000 0.901 195 R CB 0.837 31.171 30.300 0.058 0.000 1.039 195 R HN 0.522 nan 8.270 nan 0.000 0.456 196 V N 2.588 122.543 119.914 0.068 0.000 2.487 196 V HA 0.923 5.043 4.120 -0.000 0.000 0.298 196 V C 0.419 176.536 176.094 0.038 0.000 1.028 196 V CA -0.439 61.902 62.300 0.067 0.000 0.860 196 V CB 1.703 33.555 31.823 0.047 0.000 0.991 196 V HN 0.942 nan 8.190 nan 0.000 0.427 197 G N 5.230 114.050 108.800 0.033 0.000 2.336 197 G HA2 0.311 4.271 3.960 -0.000 0.000 0.300 197 G HA3 0.311 4.271 3.960 -0.000 0.000 0.300 197 G C -2.912 171.994 174.900 0.010 0.000 1.375 197 G CA -0.278 44.833 45.100 0.019 0.000 0.885 197 G HN 0.403 nan 8.290 nan 0.000 0.599 198 P HA 0.081 nan 4.420 nan 0.000 0.223 198 P C 1.964 179.259 177.300 -0.007 0.000 1.151 198 P CA 1.783 64.882 63.100 -0.003 0.000 0.787 198 P CB 0.129 31.829 31.700 -0.001 0.000 0.788 199 A N -0.194 122.624 122.820 -0.004 0.000 2.019 199 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 199 A C 2.266 179.842 177.584 -0.013 0.000 1.164 199 A CA 1.376 53.408 52.037 -0.008 0.000 0.644 199 A CB -1.697 17.299 19.000 -0.007 0.000 0.805 199 A HN 0.061 nan 8.150 nan 0.000 0.449 200 V N -0.307 119.601 119.914 -0.010 0.000 2.546 200 V HA -0.249 3.871 4.120 -0.000 0.000 0.254 200 V C 2.358 178.428 176.094 -0.039 0.000 1.076 200 V CA 1.743 64.030 62.300 -0.021 0.000 1.087 200 V CB -0.727 31.087 31.823 -0.013 0.000 0.674 200 V HN 0.507 nan 8.190 nan 0.000 0.470 201 L N -0.423 120.779 121.223 -0.035 0.000 2.275 201 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 201 L C 2.419 179.268 176.870 -0.035 0.000 1.119 201 L CA 1.683 56.498 54.840 -0.042 0.000 0.790 201 L CB -0.996 41.043 42.059 -0.033 0.000 0.919 201 L HN 0.433 nan 8.230 nan 0.000 0.443 202 Q N 0.240 120.024 119.800 -0.027 0.000 2.112 202 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 202 Q C 1.603 177.590 176.000 -0.022 0.000 0.987 202 Q CA 1.780 57.570 55.803 -0.022 0.000 0.858 202 Q CB 0.127 28.854 28.738 -0.019 0.000 0.905 202 Q HN 0.453 nan 8.270 nan 0.000 0.420 203 R N -0.411 120.074 120.500 -0.024 0.000 2.509 203 R HA 0.224 4.564 4.340 -0.000 0.000 0.297 203 R C 0.213 176.501 176.300 -0.020 0.000 0.951 203 R CA -0.185 55.904 56.100 -0.018 0.000 1.103 203 R CB -0.480 29.812 30.300 -0.013 0.000 1.283 203 R HN 0.213 nan 8.270 nan 0.000 0.534 204 L N 3.331 124.530 121.223 -0.041 0.000 2.638 204 L HA 0.025 4.365 4.340 -0.000 0.000 0.273 204 L C -0.419 176.433 176.870 -0.032 0.000 1.147 204 L CA 0.841 55.641 54.840 -0.066 0.000 0.941 204 L CB 0.244 42.226 42.059 -0.128 0.000 1.251 204 L HN 0.141 nan 8.230 nan 0.000 0.479 205 D N 1.981 122.397 120.400 0.027 0.000 2.494 205 D HA 0.157 4.797 4.640 -0.000 0.000 0.256 205 D C 0.799 177.195 176.300 0.159 0.000 1.197 205 D CA 0.464 54.501 54.000 0.062 0.000 1.096 205 D CB 0.474 41.305 40.800 0.052 0.000 1.191 205 D HN 0.511 nan 8.370 nan 0.000 0.608 206 D N -0.350 120.134 120.400 0.139 0.000 2.333 206 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 206 D C 0.071 176.418 176.300 0.079 0.000 0.984 206 D CA 0.326 54.421 54.000 0.159 0.000 0.873 206 D CB -0.149 40.689 40.800 0.064 0.000 0.935 206 D HN 0.088 nan 8.370 nan 0.000 0.521 207 D N 0.328 120.773 120.400 0.074 0.000 2.619 207 D HA 0.356 4.996 4.640 -0.000 0.000 0.224 207 D C -0.503 175.833 176.300 0.059 0.000 1.133 207 D CA -0.176 53.830 54.000 0.009 0.000 1.017 207 D CB -0.725 40.084 40.800 0.016 0.000 1.077 207 D HN 0.671 nan 8.370 nan 0.000 0.503 208 F N -1.693 118.176 119.950 -0.135 0.000 2.599 208 F HA 0.604 5.131 4.527 -0.000 0.000 0.311 208 F C -0.820 174.799 175.800 -0.302 0.000 1.076 208 F CA -1.478 56.387 58.000 -0.226 0.000 0.937 208 F CB 0.839 39.697 39.000 -0.237 0.000 1.282 208 F HN -0.238 nan 8.300 nan 0.000 0.460 209 V N 2.905 122.592 119.914 -0.379 0.000 2.455 209 V HA 0.384 4.504 4.120 -0.000 0.000 0.273 209 V C -0.018 175.852 176.094 -0.373 0.000 1.045 209 V CA -0.518 61.484 62.300 -0.497 0.000 0.976 209 V CB 0.532 31.872 31.823 -0.806 0.000 0.993 209 V HN 0.658 nan 8.190 nan 0.000 0.475 210 R N 3.324 123.488 120.500 -0.560 0.000 2.216 210 R HA 0.457 4.796 4.340 -0.000 0.000 0.332 210 R C -0.826 175.261 176.300 -0.354 0.000 1.056 210 R CA 0.059 55.648 56.100 -0.852 0.000 0.901 210 R CB 0.551 30.070 30.300 -1.301 0.000 1.039 210 R HN 0.761 nan 8.270 nan 0.000 0.456 211 C N 4.956 124.258 119.300 0.002 0.000 2.316 211 C HA 0.429 4.888 4.460 -0.000 0.000 0.324 211 C C -0.880 174.386 174.990 0.459 0.000 1.226 211 C CA -0.978 58.187 59.018 0.246 0.000 1.450 211 C CB 0.208 28.122 27.740 0.291 0.000 2.123 211 C HN 0.633 nan 8.230 nan 0.000 0.454 212 L N 5.105 126.558 121.223 0.383 0.000 2.305 212 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 212 L C -0.385 176.711 176.870 0.376 0.000 1.013 212 L CA 0.365 55.415 54.840 0.349 0.000 0.819 212 L CB 0.319 42.491 42.059 0.188 0.000 1.227 212 L HN 0.800 nan 8.230 nan 0.000 0.417 213 H N 3.511 122.750 119.070 0.281 0.000 2.679 213 H HA 0.647 5.203 4.556 -0.000 0.000 0.360 213 H C -1.794 173.692 175.328 0.263 0.000 1.105 213 H CA -0.414 55.801 56.048 0.278 0.000 1.196 213 H CB 2.059 31.921 29.762 0.166 0.000 1.636 213 H HN 0.666 nan 8.280 nan 0.000 0.531 214 S N 3.469 118.859 115.700 -0.517 0.000 2.546 214 S HA 0.171 4.641 4.470 -0.000 0.000 0.272 214 S C 1.001 175.043 174.600 -0.930 0.000 1.140 214 S CA -0.233 57.621 58.200 -0.576 0.000 0.920 214 S CB 1.077 64.142 63.200 -0.226 0.000 1.083 214 S HN 0.564 nan 8.310 nan 0.000 0.476 215 V N 2.282 121.791 119.914 -0.675 0.000 3.078 215 V HA 0.295 4.415 4.120 -0.000 0.000 0.265 215 V C 1.530 177.218 176.094 -0.677 0.000 1.122 215 V CA 1.247 63.230 62.300 -0.529 0.000 1.141 215 V CB -1.529 30.084 31.823 -0.350 0.000 0.735 215 V HN 1.962 nan 8.190 nan 0.000 0.498 216 G N 0.779 109.067 108.800 -0.854 0.000 2.198 216 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 216 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 216 G C 0.067 174.731 174.900 -0.392 0.000 1.042 216 G CA 0.290 44.778 45.100 -1.020 0.000 0.791 216 G HN 0.552 nan 8.290 nan 0.000 0.502 217 R N 0.258 120.600 120.500 -0.264 0.000 2.585 217 R HA 0.305 4.645 4.340 -0.000 0.000 0.278 217 R C -2.517 173.725 176.300 -0.096 0.000 1.663 217 R CA -1.803 54.212 56.100 -0.143 0.000 1.592 217 R CB 1.209 31.426 30.300 -0.138 0.000 1.200 217 R HN 0.313 nan 8.270 nan 0.000 0.611 218 P HA 0.048 nan 4.420 nan 0.000 0.267 218 P C -0.059 177.221 177.300 -0.032 0.000 1.200 218 P CA -0.035 63.042 63.100 -0.039 0.000 0.772 218 P CB 1.065 32.756 31.700 -0.016 0.000 0.855 219 L N 3.862 125.068 121.223 -0.029 0.000 2.325 219 L HA 0.437 4.777 4.340 -0.000 0.000 0.279 219 L C -1.817 175.043 176.870 -0.015 0.000 1.054 219 L CA -2.117 52.710 54.840 -0.022 0.000 0.804 219 L CB 0.588 42.634 42.059 -0.022 0.000 1.200 219 L HN 0.266 nan 8.230 nan 0.000 0.436 220 P HA 0.298 nan 4.420 nan 0.000 0.277 220 P C -0.752 176.543 177.300 -0.010 0.000 1.240 220 P CA -0.558 62.536 63.100 -0.009 0.000 0.798 220 P CB 0.661 32.357 31.700 -0.006 0.000 0.979 221 L N 1.305 122.523 121.223 -0.009 0.000 2.426 221 L HA 0.153 4.493 4.340 -0.000 0.000 0.271 221 L C 1.685 178.554 176.870 -0.002 0.000 1.169 221 L CA 0.059 54.895 54.840 -0.007 0.000 0.836 221 L CB 0.344 42.399 42.059 -0.006 0.000 1.112 221 L HN 0.556 nan 8.230 nan 0.000 0.465 222 T N -2.215 112.339 114.554 -0.001 0.000 3.040 222 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 222 T C 0.364 175.067 174.700 0.005 0.000 1.064 222 T CA -0.161 61.941 62.100 0.002 0.000 1.110 222 T CB 0.100 68.970 68.868 0.003 0.000 0.921 222 T HN 0.700 nan 8.240 nan 0.000 0.480 223 E N 1.631 121.834 120.200 0.006 0.000 2.288 223 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 223 E C -3.231 173.377 176.600 0.012 0.000 0.885 223 E CA -2.717 53.690 56.400 0.010 0.000 0.767 223 E CB 1.404 31.111 29.700 0.013 0.000 1.220 223 E HN 0.014 nan 8.360 nan 0.000 0.427 224 P HA 0.163 nan 4.420 nan 0.000 0.272 224 P C -0.497 176.820 177.300 0.029 0.000 1.240 224 P CA -0.360 62.752 63.100 0.021 0.000 0.791 224 P CB 0.532 32.245 31.700 0.022 0.000 0.978 225 L N 0.338 121.584 121.223 0.037 0.000 2.399 225 L HA 0.359 4.699 4.340 -0.000 0.000 0.266 225 L C -0.058 176.855 176.870 0.072 0.000 1.114 225 L CA -1.066 53.809 54.840 0.059 0.000 0.804 225 L CB 0.822 42.919 42.059 0.064 0.000 1.146 225 L HN 0.056 nan 8.230 nan 0.000 0.451 226 V N 1.023 120.995 119.914 0.096 0.000 2.407 226 V HA 0.141 4.261 4.120 -0.000 0.000 0.278 226 V C 0.627 176.799 176.094 0.130 0.000 1.037 226 V CA -0.248 62.102 62.300 0.084 0.000 0.900 226 V CB 1.176 33.034 31.823 0.060 0.000 0.983 226 V HN 0.982 nan 8.190 nan 0.000 0.459 227 S N 3.398 119.161 115.700 0.105 0.000 3.587 227 S HA -0.226 4.243 4.470 -0.000 0.000 0.337 227 S C 0.987 175.721 174.600 0.223 0.000 1.119 227 S CA 0.819 59.107 58.200 0.147 0.000 0.976 227 S CB -1.138 62.132 63.200 0.116 0.000 0.922 227 S HN 1.326 nan 8.310 nan 0.000 0.503 228 S N -1.791 114.015 115.700 0.176 0.000 3.521 228 S HA -0.214 4.255 4.470 -0.000 0.000 0.328 228 S C -0.253 174.461 174.600 0.191 0.000 1.165 228 S CA 1.397 59.688 58.200 0.152 0.000 0.941 228 S CB -1.319 61.959 63.200 0.130 0.000 0.951 228 S HN 0.810 nan 8.310 nan 0.000 0.539 229 W N 3.096 124.403 121.300 0.011 0.000 2.278 229 W HA 0.405 5.065 4.660 -0.000 0.000 0.317 229 W C -3.178 173.331 176.519 -0.017 0.000 1.030 229 W CA -2.349 54.990 57.345 -0.009 0.000 1.334 229 W CB 1.127 30.585 29.460 -0.003 0.000 1.215 229 W HN 0.000 nan 8.180 nan 0.000 0.405 230 P HA 0.146 nan 4.420 nan 0.000 0.276 230 P C -0.548 176.547 177.300 -0.342 0.000 1.243 230 P CA 0.297 63.223 63.100 -0.289 0.000 0.768 230 P CB 0.594 32.115 31.700 -0.298 0.000 0.856 231 C N 0.416 119.633 119.300 -0.139 0.000 3.303 231 C HA 0.640 5.100 4.460 -0.000 0.000 0.340 231 C C -1.424 173.528 174.990 -0.065 0.000 1.274 231 C CA -0.716 58.254 59.018 -0.081 0.000 1.234 231 C CB 1.475 29.296 27.740 0.135 0.000 1.532 231 C HN 0.431 nan 8.230 nan 0.000 0.483 232 D N 1.386 121.735 120.400 -0.085 0.000 2.443 232 D HA 0.468 5.108 4.640 -0.000 0.000 0.281 232 D C -1.714 174.609 176.300 0.039 0.000 1.210 232 D CA -1.620 52.364 54.000 -0.027 0.000 0.875 232 D CB 1.275 42.047 40.800 -0.048 0.000 1.125 232 D HN 0.335 nan 8.370 nan 0.000 0.503 233 P HA -0.160 nan 4.420 nan 0.000 0.216 233 P C 1.403 178.748 177.300 0.076 0.000 1.153 233 P CA 1.143 64.287 63.100 0.074 0.000 0.858 233 P CB 0.180 31.922 31.700 0.069 0.000 0.789 234 S N -1.230 114.512 115.700 0.069 0.000 2.474 234 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 234 S C 1.575 176.222 174.600 0.079 0.000 0.997 234 S CA 0.637 58.876 58.200 0.064 0.000 0.949 234 S CB -0.634 62.596 63.200 0.050 0.000 0.766 234 S HN 0.126 nan 8.310 nan 0.000 0.517 235 R N 0.593 121.163 120.500 0.116 0.000 2.577 235 R HA 0.350 4.689 4.340 -0.000 0.000 0.344 235 R C -0.719 175.720 176.300 0.231 0.000 1.037 235 R CA -0.183 56.005 56.100 0.147 0.000 1.102 235 R CB 0.853 31.250 30.300 0.161 0.000 1.313 235 R HN 0.235 nan 8.270 nan 0.000 0.561 236 V N 2.311 122.340 119.914 0.191 0.000 2.617 236 V HA -0.055 4.065 4.120 -0.000 0.000 0.304 236 V C -0.119 176.100 176.094 0.209 0.000 1.040 236 V CA 0.630 63.054 62.300 0.207 0.000 1.149 236 V CB 0.707 32.620 31.823 0.151 0.000 0.914 236 V HN 0.121 nan 8.190 nan 0.000 0.487 237 L N 6.419 127.799 121.223 0.262 0.000 2.516 237 L HA 0.572 4.912 4.340 -0.000 0.000 0.267 237 L C -0.755 176.281 176.870 0.276 0.000 0.957 237 L CA 0.031 55.018 54.840 0.245 0.000 0.860 237 L CB 2.176 44.377 42.059 0.237 0.000 1.265 237 L HN 0.365 nan 8.230 nan 0.000 0.403 238 V N 4.802 124.852 119.914 0.227 0.000 2.284 238 V HA 0.855 4.975 4.120 -0.000 0.000 0.274 238 V C 0.260 176.409 176.094 0.091 0.000 1.023 238 V CA -0.211 62.200 62.300 0.185 0.000 0.808 238 V CB 0.927 32.890 31.823 0.233 0.000 1.035 238 V HN 0.891 nan 8.190 nan 0.000 0.445 239 A N 3.778 126.576 122.820 -0.035 0.000 2.340 239 A HA 0.898 5.218 4.320 -0.000 0.000 0.331 239 A C -0.893 176.418 177.584 -0.456 0.000 1.140 239 A CA -0.513 51.450 52.037 -0.124 0.000 0.801 239 A CB 0.773 19.761 19.000 -0.019 0.000 1.234 239 A HN 0.910 nan 8.150 nan 0.000 0.469 240 H N 0.528 119.536 119.070 -0.103 0.000 2.609 240 H HA 0.559 5.115 4.556 -0.000 0.000 0.344 240 H C -1.286 173.955 175.328 -0.145 0.000 1.040 240 H CA -0.372 55.643 56.048 -0.055 0.000 1.216 240 H CB 1.280 31.071 29.762 0.048 0.000 1.529 240 H HN 0.417 nan 8.280 nan 0.000 0.519 241 I N 4.878 125.412 120.570 -0.061 0.000 2.668 241 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 241 I C -2.025 174.079 176.117 -0.022 0.000 1.139 241 I CA -1.654 59.581 61.300 -0.108 0.000 1.133 241 I CB 1.372 39.243 38.000 -0.216 0.000 1.327 241 I HN 0.441 nan 8.210 nan 0.000 0.520 242 P HA -0.188 nan 4.420 nan 0.000 0.215 242 P C 1.729 179.030 177.300 0.001 0.000 1.153 242 P CA 1.501 64.623 63.100 0.036 0.000 0.853 242 P CB 0.163 31.893 31.700 0.049 0.000 0.788 243 S N -0.821 114.877 115.700 -0.004 0.000 2.442 243 S HA -0.139 4.331 4.470 -0.000 0.000 0.236 243 S C 1.595 176.176 174.600 -0.033 0.000 1.007 243 S CA 1.119 59.311 58.200 -0.014 0.000 0.965 243 S CB -0.941 62.259 63.200 0.000 0.000 0.773 243 S HN 0.243 nan 8.310 nan 0.000 0.504 244 E N 0.163 120.336 120.200 -0.044 0.000 2.498 244 E HA 0.247 4.597 4.350 -0.000 0.000 0.203 244 E C -0.349 176.177 176.600 -0.123 0.000 1.013 244 E CA -0.429 55.929 56.400 -0.070 0.000 0.927 244 E CB 0.271 29.943 29.700 -0.047 0.000 1.012 244 E HN 0.190 nan 8.360 nan 0.000 0.482 245 R N 0.928 121.368 120.500 -0.099 0.000 3.333 245 R HA -0.197 4.142 4.340 -0.000 0.000 0.256 245 R C -0.248 175.950 176.300 -0.171 0.000 1.010 245 R CA 0.632 56.660 56.100 -0.121 0.000 0.680 245 R CB -2.042 28.143 30.300 -0.192 0.000 1.102 245 R HN 0.235 nan 8.270 nan 0.000 0.440 246 R N 0.350 120.788 120.500 -0.104 0.000 2.686 246 R HA 0.665 5.005 4.340 -0.000 0.000 0.283 246 R C -0.597 175.678 176.300 -0.042 0.000 0.978 246 R CA -0.755 55.279 56.100 -0.110 0.000 0.897 246 R CB 1.417 31.662 30.300 -0.092 0.000 1.192 246 R HN 0.129 nan 8.270 nan 0.000 0.457 247 I N 3.247 123.808 120.570 -0.016 0.000 2.545 247 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 247 I C -0.973 175.177 176.117 0.055 0.000 1.040 247 I CA -1.039 60.252 61.300 -0.016 0.000 1.068 247 I CB 2.446 40.476 38.000 0.051 0.000 1.251 247 I HN 0.228 nan 8.210 nan 0.000 0.424 248 V N 4.093 124.042 119.914 0.058 0.000 2.524 248 V HA 0.427 4.547 4.120 -0.000 0.000 0.297 248 V C -0.593 175.680 176.094 0.298 0.000 1.035 248 V CA -0.385 62.031 62.300 0.192 0.000 0.867 248 V CB 1.811 33.794 31.823 0.265 0.000 1.004 248 V HN 0.746 nan 8.190 nan 0.000 0.426 249 S N 5.173 121.129 115.700 0.427 0.000 2.561 249 S HA 0.812 5.282 4.470 -0.000 0.000 0.303 249 S C -1.437 173.477 174.600 0.524 0.000 1.110 249 S CA -0.374 58.092 58.200 0.444 0.000 1.034 249 S CB 0.980 64.419 63.200 0.398 0.000 1.010 249 S HN 0.565 nan 8.310 nan 0.000 0.482 250 F N 3.531 123.605 119.950 0.205 0.000 2.556 250 F HA 0.651 5.177 4.527 -0.000 0.000 0.314 250 F C 0.841 176.607 175.800 -0.057 0.000 1.106 250 F CA 0.555 58.505 58.000 -0.083 0.000 0.911 250 F CB 1.731 40.551 39.000 -0.301 0.000 1.190 250 F HN 0.831 nan 8.300 nan 0.000 0.448 251 G N 2.685 111.069 108.800 -0.695 0.000 2.194 251 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.236 251 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.236 251 G C -0.162 174.659 174.900 -0.130 0.000 0.987 251 G CA 0.130 44.963 45.100 -0.446 0.000 0.635 251 G HN 1.066 nan 8.290 nan 0.000 0.520 252 S N -0.776 114.930 115.700 0.010 0.000 2.536 252 S HA 0.669 5.139 4.470 -0.000 0.000 0.287 252 S C 0.999 175.780 174.600 0.302 0.000 1.101 252 S CA 0.685 59.001 58.200 0.193 0.000 0.950 252 S CB 1.619 64.974 63.200 0.259 0.000 1.056 252 S HN 1.338 nan 8.310 nan 0.000 0.481 253 G N 1.844 110.849 108.800 0.342 0.000 3.044 253 G HA2 0.139 4.099 3.960 -0.000 0.000 0.223 253 G HA3 0.139 4.099 3.960 -0.000 0.000 0.223 253 G C -0.088 175.123 174.900 0.519 0.000 1.123 253 G CA -0.120 45.166 45.100 0.310 0.000 0.765 253 G HN 0.708 nan 8.290 nan 0.000 0.546 254 Y N 2.089 122.647 120.300 0.430 0.000 2.377 254 Y HA 0.410 4.960 4.550 -0.000 0.000 0.330 254 Y C 1.602 177.646 175.900 0.240 0.000 1.108 254 Y CA -0.176 58.134 58.100 0.349 0.000 1.308 254 Y CB 1.128 39.719 38.460 0.218 0.000 1.216 254 Y HN 0.077 nan 8.280 nan 0.000 0.518 255 G N 4.308 112.616 108.800 -0.821 0.000 2.863 255 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.248 255 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.248 255 G C 1.558 176.088 174.900 -0.617 0.000 1.155 255 G CA 1.375 45.890 45.100 -0.974 0.000 0.752 255 G HN 1.120 nan 8.290 nan 0.000 0.666 256 G N 0.199 108.770 108.800 -0.380 0.000 2.448 256 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 256 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 256 G C 1.659 176.629 174.900 0.116 0.000 1.127 256 G CA 1.257 46.370 45.100 0.021 0.000 0.766 256 G HN 0.507 nan 8.290 nan 0.000 0.552 257 N N 0.432 119.232 118.700 0.167 0.000 2.376 257 N HA -0.042 4.697 4.740 -0.000 0.000 0.177 257 N C 2.330 177.910 175.510 0.118 0.000 1.024 257 N CA 1.369 54.542 53.050 0.204 0.000 0.893 257 N CB 0.194 38.852 38.487 0.285 0.000 0.980 257 N HN 0.492 nan 8.380 nan 0.000 0.439 258 S N -0.514 115.165 115.700 -0.034 0.000 2.539 258 S HA 0.230 4.699 4.470 -0.000 0.000 0.226 258 S C 0.698 175.096 174.600 -0.337 0.000 1.054 258 S CA -0.374 57.664 58.200 -0.270 0.000 0.910 258 S CB -0.013 63.012 63.200 -0.291 0.000 0.818 258 S HN 0.022 nan 8.310 nan 0.000 0.490 259 L N 3.173 124.225 121.223 -0.285 0.000 2.375 259 L HA 0.368 4.708 4.340 -0.000 0.000 0.276 259 L C 0.782 177.534 176.870 -0.197 0.000 1.162 259 L CA -0.273 54.379 54.840 -0.313 0.000 0.991 259 L CB 0.344 42.148 42.059 -0.426 0.000 1.315 259 L HN 0.279 nan 8.230 nan 0.000 0.431 260 L N 1.682 122.814 121.223 -0.151 0.000 2.313 260 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 260 L C 2.412 179.357 176.870 0.125 0.000 1.119 260 L CA 0.809 55.662 54.840 0.022 0.000 0.809 260 L CB -0.376 41.738 42.059 0.091 0.000 0.933 260 L HN 0.742 nan 8.230 nan 0.000 0.449 261 G N 0.208 108.978 108.800 -0.050 0.000 2.471 261 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 261 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 261 G C 1.554 176.595 174.900 0.235 0.000 1.125 261 G CA 0.473 45.694 45.100 0.201 0.000 0.775 261 G HN 0.280 nan 8.290 nan 0.000 0.548 262 K N -0.020 120.407 120.400 0.045 0.000 2.143 262 K HA 0.090 4.410 4.320 -0.000 0.000 0.209 262 K C 2.438 179.047 176.600 0.015 0.000 1.042 262 K CA 0.254 56.529 56.287 -0.019 0.000 1.000 262 K CB -0.040 32.381 32.500 -0.131 0.000 1.134 262 K HN -0.156 nan 8.250 nan 0.000 0.456 263 K N 0.711 121.102 120.400 -0.016 0.000 2.025 263 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 263 K C 2.363 179.055 176.600 0.153 0.000 1.049 263 K CA 1.324 57.593 56.287 -0.030 0.000 0.933 263 K CB -0.857 31.667 32.500 0.040 0.000 0.714 263 K HN 0.390 nan 8.250 nan 0.000 0.438 264 C N 0.416 119.882 119.300 0.276 0.000 2.436 264 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 264 C C 2.577 177.849 174.990 0.470 0.000 1.241 264 C CA 0.367 59.665 59.018 0.466 0.000 1.721 264 C CB -0.981 27.020 27.740 0.436 0.000 2.043 264 C HN 0.436 nan 8.230 nan 0.000 0.472 265 F N 1.597 121.710 119.950 0.271 0.000 2.123 265 F HA 0.124 4.651 4.527 -0.000 0.000 0.289 265 F C 2.438 178.454 175.800 0.360 0.000 1.099 265 F CA 1.203 59.386 58.000 0.306 0.000 1.234 265 F CB -0.294 38.921 39.000 0.359 0.000 1.034 265 F HN 0.099 nan 8.300 nan 0.000 0.479 266 A N 0.238 123.134 122.820 0.126 0.000 2.119 266 A HA 0.043 4.362 4.320 -0.000 0.000 0.217 266 A C 1.898 179.665 177.584 0.304 0.000 1.153 266 A CA 1.113 53.266 52.037 0.194 0.000 0.692 266 A CB -0.570 18.485 19.000 0.091 0.000 0.799 266 A HN 0.534 nan 8.150 nan 0.000 0.458 267 L N -2.353 118.956 121.223 0.144 0.000 2.590 267 L HA 0.124 4.464 4.340 -0.000 0.000 0.181 267 L C 2.680 179.618 176.870 0.114 0.000 1.134 267 L CA 0.128 55.036 54.840 0.113 0.000 0.850 267 L CB -0.476 41.556 42.059 -0.046 0.000 1.172 267 L HN 0.206 nan 8.230 nan 0.000 0.498 268 R N 0.423 120.988 120.500 0.109 0.000 2.061 268 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 268 R C 2.152 178.526 176.300 0.124 0.000 1.140 268 R CA 1.207 57.350 56.100 0.072 0.000 0.940 268 R CB -0.288 29.921 30.300 -0.152 0.000 0.839 268 R HN 0.210 nan 8.270 nan 0.000 0.429 269 I N 1.071 121.759 120.570 0.197 0.000 2.179 269 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 269 I C 2.579 178.745 176.117 0.082 0.000 1.088 269 I CA 1.384 62.814 61.300 0.217 0.000 1.357 269 I CB -1.340 36.921 38.000 0.435 0.000 1.051 269 I HN 0.183 nan 8.210 nan 0.000 0.409 270 A N 1.076 123.881 122.820 -0.025 0.000 1.969 270 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 270 A C 2.516 179.888 177.584 -0.354 0.000 1.169 270 A CA 2.030 53.926 52.037 -0.234 0.000 0.635 270 A CB -0.751 18.055 19.000 -0.323 0.000 0.810 270 A HN 0.569 nan 8.150 nan 0.000 0.445 271 S N -0.560 115.075 115.700 -0.107 0.000 2.399 271 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 271 S C 2.068 176.617 174.600 -0.085 0.000 1.022 271 S CA 1.270 59.472 58.200 0.002 0.000 0.983 271 S CB -0.352 63.039 63.200 0.318 0.000 0.803 271 S HN 0.453 nan 8.310 nan 0.000 0.480 272 R N 1.495 121.933 120.500 -0.104 0.000 2.062 272 R HA 0.235 4.575 4.340 -0.000 0.000 0.229 272 R C 2.275 178.314 176.300 -0.435 0.000 1.128 272 R CA 1.619 57.510 56.100 -0.348 0.000 0.960 272 R CB -1.087 29.152 30.300 -0.101 0.000 0.855 272 R HN 0.564 nan 8.270 nan 0.000 0.432 273 M N -0.061 119.344 119.600 -0.324 0.000 2.082 273 M HA -0.178 4.302 4.480 -0.000 0.000 0.258 273 M C 2.350 178.298 176.300 -0.587 0.000 1.069 273 M CA 2.222 57.347 55.300 -0.291 0.000 1.102 273 M CB -0.458 32.088 32.600 -0.090 0.000 1.336 273 M HN 0.201 nan 8.290 nan 0.000 0.404 274 A N -0.312 121.792 122.820 -1.194 0.000 1.883 274 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 274 A C 2.128 179.121 177.584 -0.984 0.000 1.186 274 A CA 1.867 52.775 52.037 -1.881 0.000 0.624 274 A CB -0.934 17.009 19.000 -1.762 0.000 0.822 274 A HN 0.563 nan 8.150 nan 0.000 0.444 275 Q N 0.059 119.318 119.800 -0.902 0.000 2.124 275 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 275 Q C 2.155 177.754 176.000 -0.669 0.000 0.977 275 Q CA 2.157 57.286 55.803 -1.124 0.000 0.850 275 Q CB -0.241 27.802 28.738 -1.158 0.000 0.901 275 Q HN 0.944 nan 8.270 nan 0.000 0.429 276 Q N -1.297 118.216 119.800 -0.479 0.000 2.424 276 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 276 Q C 0.990 176.907 176.000 -0.138 0.000 0.933 276 Q CA 0.566 56.210 55.803 -0.265 0.000 0.929 276 Q CB 0.144 28.754 28.738 -0.213 0.000 1.037 276 Q HN 0.385 nan 8.270 nan 0.000 0.511 277 Q N 0.183 119.911 119.800 -0.119 0.000 2.217 277 Q HA 0.234 4.574 4.340 -0.000 0.000 0.217 277 Q C 0.154 176.271 176.000 0.196 0.000 0.844 277 Q CA 0.198 56.054 55.803 0.088 0.000 0.957 277 Q CB 1.362 30.271 28.738 0.286 0.000 1.127 277 Q HN 0.555 nan 8.270 nan 0.000 0.503 278 G N 1.439 110.298 108.800 0.099 0.000 2.182 278 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.248 278 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.248 278 G C -0.393 174.687 174.900 0.299 0.000 1.042 278 G CA 0.400 45.621 45.100 0.202 0.000 0.775 278 G HN 0.358 nan 8.290 nan 0.000 0.501 279 W N -1.517 119.813 121.300 0.050 0.000 3.335 279 W HA 0.832 5.492 4.660 -0.000 0.000 0.335 279 W C -0.982 175.568 176.519 0.052 0.000 1.164 279 W CA -1.754 55.588 57.345 -0.005 0.000 1.010 279 W CB 0.798 30.218 29.460 -0.067 0.000 1.524 279 W HN 0.153 nan 8.180 nan 0.000 0.605 280 L N 1.522 122.862 121.223 0.194 0.000 2.410 280 L HA 0.697 5.037 4.340 -0.000 0.000 0.270 280 L C -0.409 176.589 176.870 0.214 0.000 0.983 280 L CA -0.980 53.897 54.840 0.063 0.000 0.822 280 L CB 1.838 43.893 42.059 -0.007 0.000 1.285 280 L HN 0.570 nan 8.230 nan 0.000 0.409 281 A N 2.732 125.618 122.820 0.109 0.000 2.285 281 A HA 0.789 5.109 4.320 -0.000 0.000 0.310 281 A C -0.770 177.062 177.584 0.413 0.000 1.266 281 A CA -0.506 51.715 52.037 0.307 0.000 0.832 281 A CB 0.725 19.733 19.000 0.013 0.000 1.163 281 A HN 0.591 nan 8.150 nan 0.000 0.499 282 E N 0.712 121.192 120.200 0.467 0.000 2.312 282 E HA 0.190 4.540 4.350 -0.000 0.000 0.267 282 E C -0.928 175.883 176.600 0.351 0.000 0.894 282 E CA -0.597 56.074 56.400 0.452 0.000 0.773 282 E CB 1.506 31.527 29.700 0.536 0.000 1.241 282 E HN 0.780 nan 8.360 nan 0.000 0.432 283 H N 2.621 121.803 119.070 0.187 0.000 2.970 283 H HA 0.262 4.818 4.556 -0.000 0.000 0.226 283 H C -0.692 174.685 175.328 0.083 0.000 1.909 283 H CA 0.059 56.148 56.048 0.070 0.000 1.388 283 H CB -0.175 29.625 29.762 0.063 0.000 1.773 283 H HN 0.197 nan 8.280 nan 0.000 0.559 284 M N 3.951 123.600 119.600 0.082 0.000 2.326 284 M HA 0.154 4.634 4.480 -0.000 0.000 0.292 284 M C -0.803 175.481 176.300 -0.027 0.000 1.081 284 M CA -1.309 53.977 55.300 -0.024 0.000 0.919 284 M CB 2.613 35.252 32.600 0.066 0.000 1.634 284 M HN 0.262 nan 8.290 nan 0.000 0.451 285 L N 1.724 122.882 121.223 -0.108 0.000 2.473 285 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 285 L C -0.989 175.887 176.870 0.010 0.000 1.215 285 L CA 0.286 55.104 54.840 -0.037 0.000 0.823 285 L CB 0.165 42.177 42.059 -0.079 0.000 1.099 285 L HN 0.586 nan 8.230 nan 0.000 0.483 286 I N 2.790 123.408 120.570 0.079 0.000 2.533 286 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 286 I C -0.951 175.273 176.117 0.179 0.000 1.056 286 I CA -0.723 60.655 61.300 0.130 0.000 1.057 286 I CB 1.867 39.954 38.000 0.145 0.000 1.240 286 I HN 0.714 nan 8.210 nan 0.000 0.423 287 L N 3.333 124.683 121.223 0.211 0.000 2.415 287 L HA 1.034 5.374 4.340 -0.000 0.000 0.256 287 L C -0.377 176.639 176.870 0.244 0.000 1.010 287 L CA -0.563 54.410 54.840 0.221 0.000 0.826 287 L CB 1.443 43.583 42.059 0.135 0.000 1.405 287 L HN 0.513 nan 8.230 nan 0.000 0.410 288 G N 0.387 109.275 108.800 0.146 0.000 2.379 288 G HA2 0.657 4.617 3.960 -0.000 0.000 0.327 288 G HA3 0.657 4.617 3.960 -0.000 0.000 0.327 288 G C -1.335 173.564 174.900 -0.002 0.000 1.145 288 G CA -0.749 44.223 45.100 -0.213 0.000 0.905 288 G HN 0.588 nan 8.290 nan 0.000 0.466 289 V N 1.639 121.567 119.914 0.023 0.000 2.409 289 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 289 V C 0.000 176.223 176.094 0.214 0.000 1.020 289 V CA -0.636 61.786 62.300 0.203 0.000 0.848 289 V CB 1.718 33.758 31.823 0.361 0.000 0.990 289 V HN 0.762 nan 8.190 nan 0.000 0.430 290 T N 3.500 118.130 114.554 0.127 0.000 2.756 290 T HA 0.365 4.715 4.350 -0.000 0.000 0.290 290 T C 0.358 174.847 174.700 -0.352 0.000 0.985 290 T CA -0.311 61.773 62.100 -0.028 0.000 0.955 290 T CB 1.196 70.067 68.868 0.004 0.000 0.930 290 T HN 0.879 nan 8.240 nan 0.000 0.451 291 S N 3.877 119.101 115.700 -0.793 0.000 2.600 291 S HA 0.231 4.701 4.470 -0.000 0.000 0.265 291 S C -1.600 172.385 174.600 -1.026 0.000 1.325 291 S CA -1.107 56.117 58.200 -1.626 0.000 1.002 291 S CB 0.543 62.776 63.200 -1.612 0.000 0.921 291 S HN 0.287 nan 8.310 nan 0.000 0.554 292 P HA -0.124 nan 4.420 nan 0.000 0.217 292 P C 1.577 178.661 177.300 -0.361 0.000 1.148 292 P CA 1.712 64.459 63.100 -0.589 0.000 0.828 292 P CB -0.299 31.102 31.700 -0.499 0.000 0.783 293 S N -2.141 113.346 115.700 -0.354 0.000 2.515 293 S HA 0.120 4.590 4.470 -0.000 0.000 0.231 293 S C 1.776 176.292 174.600 -0.141 0.000 0.987 293 S CA 0.869 58.956 58.200 -0.188 0.000 0.936 293 S CB -1.257 61.868 63.200 -0.125 0.000 0.766 293 S HN 0.314 nan 8.310 nan 0.000 0.528 294 G N 0.643 109.332 108.800 -0.185 0.000 2.195 294 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 294 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 294 G C -0.152 174.720 174.900 -0.046 0.000 0.984 294 G CA 0.154 45.190 45.100 -0.107 0.000 0.633 294 G HN 0.692 nan 8.290 nan 0.000 0.525 295 E N 0.843 121.034 120.200 -0.014 0.000 2.384 295 E HA 0.442 4.792 4.350 -0.000 0.000 0.266 295 E C 0.192 176.923 176.600 0.218 0.000 1.012 295 E CA -0.160 56.321 56.400 0.134 0.000 0.901 295 E CB 0.344 30.209 29.700 0.275 0.000 0.967 295 E HN 0.305 nan 8.360 nan 0.000 0.435 296 K N 4.046 124.550 120.400 0.173 0.000 2.292 296 K HA 0.343 4.663 4.320 -0.000 0.000 0.257 296 K C -0.974 175.673 176.600 0.079 0.000 0.940 296 K CA -0.791 55.572 56.287 0.127 0.000 0.811 296 K CB 0.840 33.328 32.500 -0.019 0.000 1.120 296 K HN 0.411 nan 8.250 nan 0.000 0.428 297 R N 2.861 123.406 120.500 0.076 0.000 2.744 297 R HA 0.330 4.670 4.340 -0.000 0.000 0.279 297 R C -1.185 175.040 176.300 -0.126 0.000 0.977 297 R CA -0.777 55.297 56.100 -0.044 0.000 0.906 297 R CB 1.129 31.293 30.300 -0.226 0.000 1.197 297 R HN 0.542 nan 8.270 nan 0.000 0.463 298 Y N 1.230 121.579 120.300 0.081 0.000 2.387 298 Y HA 0.532 5.082 4.550 -0.000 0.000 0.336 298 Y C 0.602 176.546 175.900 0.074 0.000 1.067 298 Y CA -0.528 57.628 58.100 0.093 0.000 1.114 298 Y CB 1.819 40.328 38.460 0.083 0.000 1.208 298 Y HN 0.233 nan 8.280 nan 0.000 0.458 299 M N 2.407 122.137 119.600 0.216 0.000 2.518 299 M HA 0.767 5.247 4.480 -0.000 0.000 0.300 299 M C -0.945 175.417 176.300 0.104 0.000 1.175 299 M CA -0.936 54.441 55.300 0.128 0.000 0.890 299 M CB 2.439 35.080 32.600 0.068 0.000 1.710 299 M HN 0.689 nan 8.290 nan 0.000 0.453 300 A N 1.697 124.551 122.820 0.058 0.000 2.340 300 A HA 0.984 5.304 4.320 -0.000 0.000 0.331 300 A C -1.093 176.419 177.584 -0.119 0.000 1.140 300 A CA -0.654 51.388 52.037 0.008 0.000 0.801 300 A CB 1.290 20.330 19.000 0.066 0.000 1.234 300 A HN 0.914 nan 8.150 nan 0.000 0.469 301 A N 0.884 123.561 122.820 -0.239 0.000 2.414 301 A HA 0.695 5.015 4.320 -0.000 0.000 0.286 301 A C -0.170 177.049 177.584 -0.609 0.000 1.073 301 A CA 0.169 51.898 52.037 -0.513 0.000 0.727 301 A CB 0.838 19.375 19.000 -0.772 0.000 1.215 301 A HN 2.176 nan 8.150 nan 0.000 0.430 302 A N 3.111 125.691 122.820 -0.400 0.000 2.506 302 A HA 0.684 5.004 4.320 -0.000 0.000 0.320 302 A C -0.597 176.989 177.584 0.004 0.000 1.424 302 A CA -0.063 51.885 52.037 -0.148 0.000 1.044 302 A CB -0.677 18.415 19.000 0.154 0.000 1.140 302 A HN 0.663 nan 8.150 nan 0.000 0.538 303 F N 2.733 122.620 119.950 -0.106 0.000 2.508 303 F HA 0.444 4.971 4.527 -0.000 0.000 0.325 303 F C -2.093 173.657 175.800 -0.084 0.000 1.090 303 F CA -2.751 55.199 58.000 -0.085 0.000 0.945 303 F CB 2.152 41.119 39.000 -0.055 0.000 1.156 303 F HN 0.332 nan 8.300 nan 0.000 0.463 304 P HA 0.032 nan 4.420 nan 0.000 0.271 304 P C -0.756 176.699 177.300 0.259 0.000 1.244 304 P CA -0.295 62.958 63.100 0.254 0.000 0.793 304 P CB 0.467 32.258 31.700 0.152 0.000 0.984 305 S N 0.826 116.766 115.700 0.399 0.000 2.558 305 S HA 0.238 4.708 4.470 -0.000 0.000 0.293 305 S C 0.887 175.578 174.600 0.152 0.000 1.292 305 S CA 0.853 59.242 58.200 0.316 0.000 1.063 305 S CB -0.858 62.553 63.200 0.351 0.000 0.831 305 S HN 0.718 nan 8.310 nan 0.000 0.499 306 A N 1.461 124.348 122.820 0.111 0.000 2.872 306 A HA -0.194 4.126 4.320 -0.000 0.000 0.273 306 A C 0.875 178.462 177.584 0.005 0.000 1.442 306 A CA 0.705 52.765 52.037 0.039 0.000 0.801 306 A CB -2.426 16.573 19.000 -0.001 0.000 1.031 306 A HN 0.904 nan 8.150 nan 0.000 0.582 307 C N -1.439 117.897 119.300 0.061 0.000 3.115 307 C HA 0.610 5.070 4.460 -0.000 0.000 0.277 307 C C 1.884 177.001 174.990 0.211 0.000 1.460 307 C CA 0.190 59.211 59.018 0.006 0.000 1.789 307 C CB -0.540 27.153 27.740 -0.077 0.000 2.674 307 C HN 2.284 nan 8.230 nan 0.000 0.582 308 G N 1.220 110.193 108.800 0.288 0.000 2.205 308 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.180 308 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.180 308 G C 0.891 176.063 174.900 0.454 0.000 1.004 308 G CA 0.102 45.420 45.100 0.364 0.000 0.670 308 G HN 0.450 nan 8.290 nan 0.000 0.496 309 K N 0.072 120.722 120.400 0.417 0.000 2.032 309 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 309 K C 2.543 179.222 176.600 0.132 0.000 1.048 309 K CA 1.926 58.349 56.287 0.228 0.000 0.927 309 K CB -0.321 32.206 32.500 0.045 0.000 0.712 309 K HN 0.318 nan 8.250 nan 0.000 0.441 310 T N 1.244 115.857 114.554 0.098 0.000 2.746 310 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 310 T C 1.511 176.226 174.700 0.024 0.000 1.039 310 T CA 1.674 63.790 62.100 0.027 0.000 1.142 310 T CB -0.330 68.546 68.868 0.013 0.000 0.866 310 T HN 0.251 nan 8.240 nan 0.000 0.444 311 N N 0.747 119.500 118.700 0.087 0.000 2.309 311 N HA 0.020 4.760 4.740 -0.000 0.000 0.182 311 N C 1.527 177.070 175.510 0.056 0.000 1.018 311 N CA 0.415 53.521 53.050 0.093 0.000 0.876 311 N CB -0.227 38.365 38.487 0.174 0.000 0.972 311 N HN 0.173 nan 8.380 nan 0.000 0.434 312 L N 0.295 121.577 121.223 0.098 0.000 2.102 312 L HA 0.180 4.520 4.340 -0.000 0.000 0.202 312 L C 2.006 178.911 176.870 0.057 0.000 1.076 312 L CA 1.032 55.932 54.840 0.099 0.000 0.761 312 L CB -0.712 41.516 42.059 0.282 0.000 0.921 312 L HN 0.106 nan 8.230 nan 0.000 0.444 313 A N 0.248 123.097 122.820 0.048 0.000 1.978 313 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 313 A C 1.873 179.446 177.584 -0.018 0.000 1.170 313 A CA 2.059 54.112 52.037 0.026 0.000 0.636 313 A CB -0.710 18.308 19.000 0.030 0.000 0.810 313 A HN 0.623 nan 8.150 nan 0.000 0.448 314 M N -1.753 117.806 119.600 -0.069 0.000 2.778 314 M HA 0.475 4.955 4.480 -0.000 0.000 0.359 314 M C 0.201 176.452 176.300 -0.082 0.000 1.216 314 M CA -0.333 54.902 55.300 -0.107 0.000 0.935 314 M CB -0.032 32.439 32.600 -0.214 0.000 1.330 314 M HN 0.292 nan 8.290 nan 0.000 0.516 315 M N 2.071 121.640 119.600 -0.052 0.000 2.249 315 M HA 0.178 4.658 4.480 -0.000 0.000 0.340 315 M C -0.917 175.339 176.300 -0.074 0.000 1.166 315 M CA 1.155 56.422 55.300 -0.055 0.000 1.115 315 M CB 0.907 33.475 32.600 -0.053 0.000 1.606 315 M HN 0.298 nan 8.290 nan 0.000 0.448 316 T N 6.884 121.387 114.554 -0.085 0.000 2.738 316 T HA 0.429 4.779 4.350 -0.000 0.000 0.298 316 T C -2.451 172.188 174.700 -0.103 0.000 0.962 316 T CA -1.047 60.998 62.100 -0.092 0.000 0.972 316 T CB 0.421 69.231 68.868 -0.096 0.000 0.928 316 T HN 0.522 nan 8.240 nan 0.000 0.474 317 P HA 0.188 nan 4.420 nan 0.000 0.268 317 P C 0.321 177.556 177.300 -0.108 0.000 1.204 317 P CA -0.109 62.944 63.100 -0.079 0.000 0.768 317 P CB 0.559 32.261 31.700 0.003 0.000 0.842 318 S N 1.568 117.157 115.700 -0.184 0.000 2.603 318 S HA 0.104 4.574 4.470 -0.000 0.000 0.220 318 S C 0.709 175.265 174.600 -0.073 0.000 0.967 318 S CA 0.131 58.199 58.200 -0.221 0.000 0.920 318 S CB -0.381 62.473 63.200 -0.577 0.000 0.773 318 S HN 0.369 nan 8.310 nan 0.000 0.529 319 L N 3.623 124.835 121.223 -0.018 0.000 2.282 319 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 319 L C -2.249 174.714 176.870 0.154 0.000 1.033 319 L CA -2.291 52.593 54.840 0.073 0.000 0.807 319 L CB 1.355 43.434 42.059 0.034 0.000 1.209 319 L HN -0.031 nan 8.230 nan 0.000 0.423 320 P HA 0.147 nan 4.420 nan 0.000 0.271 320 P C 0.624 178.000 177.300 0.126 0.000 1.218 320 P CA 0.367 63.526 63.100 0.099 0.000 0.780 320 P CB 1.375 33.110 31.700 0.059 0.000 0.901 321 G N 0.760 109.571 108.800 0.019 0.000 2.363 321 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.238 321 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.238 321 G C -0.432 174.330 174.900 -0.230 0.000 1.062 321 G CA -0.289 44.735 45.100 -0.127 0.000 0.629 321 G HN 0.458 nan 8.290 nan 0.000 0.514 322 W N 1.177 122.427 121.300 -0.084 0.000 2.316 322 W HA 0.802 5.462 4.660 -0.000 0.000 0.321 322 W C 0.834 177.300 176.519 -0.088 0.000 1.203 322 W CA -0.400 56.883 57.345 -0.104 0.000 1.214 322 W CB 0.732 30.131 29.460 -0.101 0.000 1.169 322 W HN 0.324 nan 8.180 nan 0.000 0.561 323 R N 2.763 123.340 120.500 0.129 0.000 2.686 323 R HA 0.664 5.004 4.340 -0.000 0.000 0.283 323 R C -1.300 175.031 176.300 0.051 0.000 0.978 323 R CA -0.894 55.227 56.100 0.035 0.000 0.897 323 R CB 1.314 31.615 30.300 0.002 0.000 1.192 323 R HN 0.508 nan 8.270 nan 0.000 0.457 324 I N -0.729 119.809 120.570 -0.053 0.000 2.646 324 I HA 0.544 4.714 4.170 -0.000 0.000 0.299 324 I C -1.380 174.628 176.117 -0.182 0.000 1.036 324 I CA -0.347 60.938 61.300 -0.024 0.000 1.074 324 I CB 2.163 40.171 38.000 0.013 0.000 1.258 324 I HN 0.636 nan 8.210 nan 0.000 0.430 325 H N 3.896 122.991 119.070 0.042 0.000 2.600 325 H HA 0.534 5.090 4.556 -0.000 0.000 0.357 325 H C -1.038 174.348 175.328 0.096 0.000 1.106 325 H CA -0.387 55.701 56.048 0.066 0.000 1.193 325 H CB 1.752 31.570 29.762 0.092 0.000 1.594 325 H HN 0.977 nan 8.280 nan 0.000 0.526 326 C N 4.323 123.735 119.300 0.186 0.000 2.415 326 C HA 0.283 4.743 4.460 -0.000 0.000 0.369 326 C C 1.363 176.494 174.990 0.234 0.000 1.279 326 C CA -0.168 58.947 59.018 0.161 0.000 1.886 326 C CB -1.120 26.665 27.740 0.075 0.000 2.468 326 C HN 0.774 nan 8.230 nan 0.000 0.553 327 V N 5.257 125.331 119.914 0.267 0.000 2.788 327 V HA 0.431 4.551 4.120 -0.000 0.000 0.241 327 V C 1.299 177.562 176.094 0.282 0.000 1.083 327 V CA 1.166 63.656 62.300 0.316 0.000 1.103 327 V CB -0.279 31.720 31.823 0.293 0.000 0.800 327 V HN 1.072 nan 8.190 nan 0.000 0.476 328 G N 0.199 109.142 108.800 0.237 0.000 2.632 328 G HA2 0.462 4.422 3.960 -0.000 0.000 0.292 328 G HA3 0.462 4.422 3.960 -0.000 0.000 0.292 328 G C -1.124 173.902 174.900 0.211 0.000 1.465 328 G CA 0.409 45.647 45.100 0.230 0.000 0.824 328 G HN 0.118 nan 8.290 nan 0.000 0.509 329 D N -1.116 119.433 120.400 0.248 0.000 2.479 329 D HA 0.217 4.857 4.640 -0.000 0.000 0.218 329 D C 0.309 176.673 176.300 0.107 0.000 1.177 329 D CA 0.159 54.261 54.000 0.170 0.000 0.830 329 D CB 1.319 42.244 40.800 0.208 0.000 1.014 329 D HN 0.333 nan 8.370 nan 0.000 0.503 330 D N -0.476 119.979 120.400 0.092 0.000 2.001 330 D HA 0.270 4.909 4.640 -0.000 0.000 0.337 330 D C -0.392 175.967 176.300 0.098 0.000 1.148 330 D CA 0.233 54.287 54.000 0.089 0.000 1.057 330 D CB 0.925 41.795 40.800 0.117 0.000 1.884 330 D HN 0.090 nan 8.370 nan 0.000 0.529 331 I N 1.318 121.918 120.570 0.050 0.000 2.545 331 I HA 0.701 4.871 4.170 -0.000 0.000 0.292 331 I C -0.953 175.175 176.117 0.017 0.000 1.040 331 I CA -1.115 60.208 61.300 0.038 0.000 1.068 331 I CB 2.228 40.196 38.000 -0.053 0.000 1.251 331 I HN 0.061 nan 8.210 nan 0.000 0.424 332 A N 5.790 128.687 122.820 0.129 0.000 2.343 332 A HA 0.741 5.061 4.320 -0.000 0.000 0.316 332 A C -1.861 175.972 177.584 0.415 0.000 1.104 332 A CA -0.374 51.769 52.037 0.176 0.000 0.768 332 A CB 0.913 20.027 19.000 0.189 0.000 1.213 332 A HN 0.616 nan 8.150 nan 0.000 0.456 333 W N 2.292 123.683 121.300 0.151 0.000 2.376 333 W HA 0.678 5.338 4.660 -0.000 0.000 0.312 333 W C -0.344 176.265 176.519 0.149 0.000 1.060 333 W CA -1.104 56.376 57.345 0.225 0.000 1.221 333 W CB 1.128 30.678 29.460 0.151 0.000 1.281 333 W HN 0.515 nan 8.180 nan 0.000 0.456 334 M N 3.435 123.280 119.600 0.409 0.000 2.395 334 M HA 0.478 4.958 4.480 -0.000 0.000 0.307 334 M C -0.430 175.939 176.300 0.114 0.000 1.091 334 M CA -0.814 54.588 55.300 0.171 0.000 0.919 334 M CB 3.234 35.888 32.600 0.090 0.000 1.662 334 M HN 0.263 nan 8.290 nan 0.000 0.440 335 K N 1.927 122.310 120.400 -0.028 0.000 2.523 335 K HA 0.540 4.860 4.320 -0.000 0.000 0.257 335 K C -1.766 174.762 176.600 -0.120 0.000 0.932 335 K CA -0.589 55.676 56.287 -0.037 0.000 0.812 335 K CB 2.011 34.510 32.500 -0.003 0.000 1.326 335 K HN 0.463 nan 8.250 nan 0.000 0.433 336 F N 3.164 123.123 119.950 0.016 0.000 2.495 336 F HA 0.038 4.565 4.527 -0.000 0.000 0.365 336 F C 1.167 176.958 175.800 -0.015 0.000 1.090 336 F CA 0.298 58.291 58.000 -0.011 0.000 1.235 336 F CB 0.463 39.439 39.000 -0.040 0.000 1.119 336 F HN 0.608 nan 8.300 nan 0.000 0.562 337 D N 0.926 121.437 120.400 0.186 0.000 2.507 337 D HA 0.060 4.700 4.640 -0.000 0.000 0.280 337 D C 0.542 176.887 176.300 0.076 0.000 1.219 337 D CA -0.328 53.727 54.000 0.091 0.000 1.085 337 D CB 0.287 41.116 40.800 0.049 0.000 1.134 337 D HN 0.446 nan 8.370 nan 0.000 0.583 338 D N -0.903 119.519 120.400 0.036 0.000 2.269 338 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 338 D C 0.883 177.188 176.300 0.008 0.000 0.963 338 D CA 0.973 54.982 54.000 0.015 0.000 0.864 338 D CB 0.152 40.955 40.800 0.005 0.000 0.936 338 D HN 0.472 nan 8.370 nan 0.000 0.505 339 E N -0.368 119.843 120.200 0.019 0.000 2.479 339 E HA 0.223 4.572 4.350 -0.000 0.000 0.193 339 E C 1.310 177.915 176.600 0.010 0.000 1.049 339 E CA 0.299 56.706 56.400 0.011 0.000 0.870 339 E CB 0.471 30.182 29.700 0.018 0.000 0.944 339 E HN 0.210 nan 8.360 nan 0.000 0.492 340 G N 1.303 110.123 108.800 0.033 0.000 2.143 340 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 340 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 340 G C 0.073 175.086 174.900 0.188 0.000 0.981 340 G CA -0.284 44.821 45.100 0.008 0.000 0.665 340 G HN 0.079 nan 8.290 nan 0.000 0.528 341 R N -0.501 120.127 120.500 0.213 0.000 2.490 341 R HA 0.411 4.751 4.340 -0.000 0.000 0.280 341 R C 0.127 176.597 176.300 0.284 0.000 1.077 341 R CA -0.722 55.520 56.100 0.237 0.000 1.065 341 R CB 1.145 31.515 30.300 0.118 0.000 1.003 341 R HN 0.266 nan 8.270 nan 0.000 0.470 342 L N 4.216 125.525 121.223 0.143 0.000 2.325 342 L HA 0.162 4.502 4.340 -0.000 0.000 0.284 342 L C -0.050 176.759 176.870 -0.101 0.000 1.089 342 L CA 0.387 55.081 54.840 -0.244 0.000 0.836 342 L CB 0.252 42.084 42.059 -0.378 0.000 1.184 342 L HN 0.297 nan 8.230 nan 0.000 0.444 343 R N 4.656 125.094 120.500 -0.104 0.000 2.346 343 R HA 0.741 5.081 4.340 -0.000 0.000 0.311 343 R C -0.781 175.494 176.300 -0.042 0.000 0.983 343 R CA -0.538 55.526 56.100 -0.059 0.000 0.880 343 R CB 1.615 31.888 30.300 -0.045 0.000 1.100 343 R HN 0.733 nan 8.270 nan 0.000 0.453 344 A N 4.359 127.160 122.820 -0.033 0.000 2.342 344 A HA 0.674 4.993 4.320 -0.000 0.000 0.323 344 A C -0.085 177.501 177.584 0.003 0.000 1.125 344 A CA -0.852 51.198 52.037 0.021 0.000 0.785 344 A CB 0.858 19.886 19.000 0.047 0.000 1.221 344 A HN 0.796 nan 8.150 nan 0.000 0.463 345 I N -0.446 120.153 120.570 0.047 0.000 2.693 345 I HA 0.628 4.798 4.170 -0.000 0.000 0.303 345 I C -0.450 175.663 176.117 -0.006 0.000 1.025 345 I CA -0.987 60.318 61.300 0.008 0.000 1.086 345 I CB 2.134 40.127 38.000 -0.012 0.000 1.268 345 I HN 0.493 nan 8.210 nan 0.000 0.440 346 N N 5.690 124.378 118.700 -0.019 0.000 2.420 346 N HA 0.397 5.137 4.740 -0.000 0.000 0.249 346 N C -1.802 173.596 175.510 -0.186 0.000 1.033 346 N CA -2.556 50.461 53.050 -0.054 0.000 0.944 346 N CB 1.078 39.626 38.487 0.103 0.000 1.113 346 N HN 0.456 nan 8.380 nan 0.000 0.502 347 P HA 0.003 nan 4.420 nan 0.000 0.241 347 P C -0.510 176.616 177.300 -0.291 0.000 1.191 347 P CA 0.775 63.513 63.100 -0.603 0.000 0.771 347 P CB 0.499 31.309 31.700 -1.483 0.000 0.929 348 E N -0.222 119.872 120.200 -0.176 0.000 2.250 348 E HA 0.323 4.673 4.350 -0.000 0.000 0.265 348 E C 0.564 177.172 176.600 0.012 0.000 1.033 348 E CA -0.710 55.636 56.400 -0.090 0.000 0.888 348 E CB 1.554 31.189 29.700 -0.108 0.000 1.151 348 E HN -0.125 nan 8.360 nan 0.000 0.412 349 R N 0.063 120.553 120.500 -0.017 0.000 2.437 349 R HA 0.210 4.550 4.340 -0.000 0.000 0.257 349 R C -0.054 176.153 176.300 -0.156 0.000 0.927 349 R CA 0.066 56.199 56.100 0.054 0.000 1.078 349 R CB 0.768 31.103 30.300 0.058 0.000 1.161 349 R HN 0.551 nan 8.270 nan 0.000 0.529 350 G N -0.631 107.986 108.800 -0.304 0.000 2.687 350 G HA2 0.460 4.419 3.960 -0.000 0.000 0.291 350 G HA3 0.460 4.419 3.960 -0.000 0.000 0.291 350 G C -1.617 172.957 174.900 -0.543 0.000 1.420 350 G CA -0.629 44.201 45.100 -0.450 0.000 0.796 350 G HN 0.004 nan 8.290 nan 0.000 0.485 351 F N -0.156 119.822 119.950 0.047 0.000 2.482 351 F HA 0.571 5.098 4.527 -0.000 0.000 0.331 351 F C -0.637 175.225 175.800 0.102 0.000 1.115 351 F CA -1.064 56.987 58.000 0.085 0.000 0.955 351 F CB 2.284 41.377 39.000 0.154 0.000 1.136 351 F HN 0.298 nan 8.300 nan 0.000 0.452 352 F N 3.001 122.963 119.950 0.021 0.000 2.371 352 F HA 0.698 5.225 4.527 -0.000 0.000 0.343 352 F C 0.150 175.757 175.800 -0.323 0.000 1.150 352 F CA -0.924 56.981 58.000 -0.158 0.000 1.220 352 F CB 0.124 39.047 39.000 -0.129 0.000 1.475 352 F HN 0.469 nan 8.300 nan 0.000 0.521 353 G N 2.582 110.785 108.800 -0.995 0.000 2.389 353 G HA2 0.479 4.439 3.960 -0.000 0.000 0.328 353 G HA3 0.479 4.439 3.960 -0.000 0.000 0.328 353 G C -0.969 173.166 174.900 -1.275 0.000 1.133 353 G CA -0.727 43.664 45.100 -1.182 0.000 0.891 353 G HN 0.251 nan 8.290 nan 0.000 0.485 354 V N 1.805 121.315 119.914 -0.673 0.000 2.557 354 V HA 0.175 4.295 4.120 -0.000 0.000 0.301 354 V C 1.486 177.292 176.094 -0.479 0.000 1.026 354 V CA 0.883 62.894 62.300 -0.481 0.000 1.137 354 V CB 0.627 32.300 31.823 -0.250 0.000 0.917 354 V HN 0.985 nan 8.190 nan 0.000 0.484 355 A N 7.776 130.274 122.820 -0.537 0.000 1.861 355 A HA 0.209 4.528 4.320 -0.000 0.000 0.212 355 A C -1.332 175.605 177.584 -1.078 0.000 1.199 355 A CA 0.411 51.954 52.037 -0.824 0.000 0.613 355 A CB -1.015 17.365 19.000 -1.034 0.000 0.846 355 A HN 0.721 nan 8.150 nan 0.000 0.446 356 P HA 0.231 nan 4.420 nan 0.000 0.264 356 P C 0.865 178.054 177.300 -0.184 0.000 1.183 356 P CA 2.046 64.925 63.100 -0.368 0.000 0.763 356 P CB 0.443 32.034 31.700 -0.181 0.000 0.807 357 G N 1.723 110.529 108.800 0.011 0.000 2.258 357 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.233 357 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.233 357 G C 0.280 175.217 174.900 0.062 0.000 1.006 357 G CA 0.050 45.188 45.100 0.064 0.000 0.620 357 G HN 0.595 nan 8.290 nan 0.000 0.511 358 T N 2.182 116.777 114.554 0.069 0.000 2.867 358 T HA 0.518 4.868 4.350 -0.000 0.000 0.297 358 T C 0.515 175.393 174.700 0.297 0.000 0.989 358 T CA 1.083 63.275 62.100 0.154 0.000 1.159 358 T CB 1.138 70.071 68.868 0.108 0.000 0.928 358 T HN 1.585 nan 8.240 nan 0.000 0.538 359 S N 0.903 116.647 115.700 0.073 0.000 2.688 359 S HA 0.461 4.931 4.470 -0.000 0.000 0.275 359 S C 1.217 175.787 174.600 -0.049 0.000 1.175 359 S CA -0.233 57.979 58.200 0.019 0.000 0.818 359 S CB 1.081 64.263 63.200 -0.031 0.000 1.157 359 S HN 0.572 nan 8.310 nan 0.000 0.482 360 S N -0.212 115.454 115.700 -0.056 0.000 2.515 360 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 360 S C 1.740 176.278 174.600 -0.103 0.000 0.987 360 S CA 0.777 58.935 58.200 -0.071 0.000 0.936 360 S CB -0.315 62.852 63.200 -0.055 0.000 0.766 360 S HN 0.624 nan 8.310 nan 0.000 0.528 361 R N 1.252 121.671 120.500 -0.134 0.000 2.090 361 R HA 0.057 4.397 4.340 -0.000 0.000 0.219 361 R C 2.770 178.900 176.300 -0.283 0.000 1.100 361 R CA 1.758 57.748 56.100 -0.183 0.000 0.991 361 R CB -1.494 28.696 30.300 -0.184 0.000 0.893 361 R HN 0.925 nan 8.270 nan 0.000 0.443 362 T N -2.725 111.602 114.554 -0.377 0.000 2.939 362 T HA 0.149 4.499 4.350 -0.000 0.000 0.254 362 T C 0.895 175.461 174.700 -0.225 0.000 1.041 362 T CA 0.804 62.533 62.100 -0.617 0.000 1.142 362 T CB -0.014 68.300 68.868 -0.923 0.000 0.874 362 T HN 0.262 nan 8.240 nan 0.000 0.452 363 N N 1.480 120.095 118.700 -0.141 0.000 2.732 363 N HA 0.284 5.024 4.740 -0.000 0.000 0.235 363 N C -2.538 172.919 175.510 -0.089 0.000 1.466 363 N CA -1.719 51.285 53.050 -0.076 0.000 0.751 363 N CB 1.566 40.036 38.487 -0.028 0.000 1.317 363 N HN 0.032 nan 8.380 nan 0.000 0.525 364 P HA -0.080 nan 4.420 nan 0.000 0.219 364 P C 0.847 178.089 177.300 -0.096 0.000 1.146 364 P CA 0.991 64.039 63.100 -0.087 0.000 0.808 364 P CB 0.572 32.223 31.700 -0.082 0.000 0.779 365 N N 0.253 118.889 118.700 -0.107 0.000 2.188 365 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 365 N C 1.871 177.280 175.510 -0.167 0.000 1.018 365 N CA 1.476 54.451 53.050 -0.125 0.000 0.858 365 N CB -0.745 37.665 38.487 -0.129 0.000 0.989 365 N HN 0.124 nan 8.380 nan 0.000 0.426 366 A N 1.303 124.007 122.820 -0.193 0.000 1.930 366 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 366 A C 2.224 179.629 177.584 -0.299 0.000 1.175 366 A CA 0.962 52.819 52.037 -0.299 0.000 0.627 366 A CB -0.267 18.565 19.000 -0.279 0.000 0.815 366 A HN 0.089 nan 8.150 nan 0.000 0.443 367 M N -0.230 119.267 119.600 -0.173 0.000 2.108 367 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 367 M C 2.461 178.691 176.300 -0.117 0.000 1.066 367 M CA 1.725 56.955 55.300 -0.117 0.000 1.107 367 M CB -1.424 31.137 32.600 -0.065 0.000 1.356 367 M HN 0.490 nan 8.290 nan 0.000 0.406 368 A N -0.371 122.385 122.820 -0.107 0.000 1.969 368 A HA -0.088 4.231 4.320 -0.000 0.000 0.218 368 A C 2.282 179.814 177.584 -0.086 0.000 1.169 368 A CA 1.900 53.889 52.037 -0.079 0.000 0.635 368 A CB -0.910 18.052 19.000 -0.064 0.000 0.810 368 A HN 0.488 nan 8.150 nan 0.000 0.445 369 T N 0.659 115.137 114.554 -0.127 0.000 2.857 369 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 369 T C 1.587 176.213 174.700 -0.122 0.000 1.048 369 T CA 1.407 63.444 62.100 -0.104 0.000 1.139 369 T CB -0.391 68.403 68.868 -0.123 0.000 0.874 369 T HN 0.719 nan 8.240 nan 0.000 0.455 370 I N -0.938 119.509 120.570 -0.206 0.000 3.875 370 I HA 0.526 4.696 4.170 -0.000 0.000 0.329 370 I C 2.050 178.114 176.117 -0.088 0.000 1.295 370 I CA -0.195 60.982 61.300 -0.204 0.000 1.129 370 I CB -0.293 37.493 38.000 -0.357 0.000 1.008 370 I HN 0.015 nan 8.210 nan 0.000 0.413 371 A N 2.474 125.237 122.820 -0.095 0.000 2.119 371 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 371 A C 1.194 178.782 177.584 0.008 0.000 1.153 371 A CA 0.540 52.521 52.037 -0.094 0.000 0.692 371 A CB -0.145 18.832 19.000 -0.039 0.000 0.799 371 A HN 0.746 nan 8.150 nan 0.000 0.458 372 R N -2.819 117.699 120.500 0.030 0.000 2.680 372 R HA 0.368 4.708 4.340 -0.000 0.000 0.269 372 R C -1.056 175.294 176.300 0.082 0.000 1.026 372 R CA -0.599 55.550 56.100 0.081 0.000 0.889 372 R CB 0.360 30.703 30.300 0.072 0.000 1.241 372 R HN -0.002 nan 8.270 nan 0.000 0.463 373 N N -0.126 118.651 118.700 0.129 0.000 2.710 373 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 373 N C -1.198 174.379 175.510 0.112 0.000 1.059 373 N CA 1.768 54.904 53.050 0.143 0.000 0.720 373 N CB -1.053 37.494 38.487 0.100 0.000 0.983 373 N HN 0.741 nan 8.380 nan 0.000 0.544 374 T N 0.713 115.335 114.554 0.113 0.000 2.841 374 T HA 0.630 4.979 4.350 -0.000 0.000 0.283 374 T C 0.720 175.443 174.700 0.038 0.000 1.000 374 T CA -0.494 61.588 62.100 -0.030 0.000 0.977 374 T CB 1.885 70.594 68.868 -0.265 0.000 0.979 374 T HN 0.061 nan 8.240 nan 0.000 0.446 375 I N 3.409 123.983 120.570 0.006 0.000 2.321 375 I HA 0.395 4.564 4.170 -0.000 0.000 0.291 375 I C -0.731 175.421 176.117 0.058 0.000 0.998 375 I CA -0.593 60.805 61.300 0.164 0.000 1.227 375 I CB 0.645 38.732 38.000 0.144 0.000 1.368 375 I HN 0.504 nan 8.210 nan 0.000 0.466 376 F N 3.695 123.844 119.950 0.332 0.000 2.399 376 F HA 0.454 4.981 4.527 -0.000 0.000 0.334 376 F C 0.550 176.533 175.800 0.305 0.000 1.097 376 F CA -0.407 57.775 58.000 0.303 0.000 1.076 376 F CB 1.686 40.880 39.000 0.323 0.000 1.162 376 F HN 0.256 nan 8.300 nan 0.000 0.495 377 T N 3.081 117.876 114.554 0.402 0.000 2.809 377 T HA 0.251 4.601 4.350 -0.000 0.000 0.284 377 T C -0.268 174.539 174.700 0.178 0.000 0.992 377 T CA -0.810 61.467 62.100 0.296 0.000 0.957 377 T CB 0.866 69.918 68.868 0.307 0.000 0.942 377 T HN 0.610 nan 8.240 nan 0.000 0.439 378 N N 0.203 119.004 118.700 0.167 0.000 2.782 378 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 378 N C 0.153 175.763 175.510 0.166 0.000 1.101 378 N CA 1.102 54.238 53.050 0.144 0.000 0.764 378 N CB -1.805 36.615 38.487 -0.112 0.000 1.122 378 N HN 0.701 nan 8.380 nan 0.000 0.561 379 V N -2.743 117.312 119.914 0.235 0.000 3.262 379 V HA 0.926 5.046 4.120 -0.000 0.000 0.313 379 V C 1.335 177.556 176.094 0.212 0.000 1.070 379 V CA -0.115 62.335 62.300 0.249 0.000 1.049 379 V CB 1.199 33.265 31.823 0.405 0.000 1.157 379 V HN 0.148 nan 8.190 nan 0.000 0.454 380 G N 0.402 109.298 108.800 0.159 0.000 2.503 380 G HA2 0.506 4.466 3.960 -0.000 0.000 0.257 380 G HA3 0.506 4.466 3.960 -0.000 0.000 0.257 380 G C -0.968 174.007 174.900 0.125 0.000 1.214 380 G CA -0.409 44.765 45.100 0.124 0.000 0.839 380 G HN 1.076 nan 8.290 nan 0.000 0.559 381 L N 0.920 122.209 121.223 0.110 0.000 2.322 381 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 381 L C 0.349 177.256 176.870 0.061 0.000 1.014 381 L CA -0.781 54.096 54.840 0.063 0.000 0.815 381 L CB 1.361 43.432 42.059 0.019 0.000 1.247 381 L HN 0.611 nan 8.230 nan 0.000 0.421 382 R N 2.021 122.519 120.500 -0.004 0.000 2.674 382 R HA 0.431 4.771 4.340 -0.000 0.000 0.266 382 R C 1.081 177.293 176.300 -0.146 0.000 1.016 382 R CA 0.018 56.043 56.100 -0.125 0.000 1.062 382 R CB 1.077 31.272 30.300 -0.175 0.000 1.142 382 R HN 0.787 nan 8.270 nan 0.000 0.517 383 S N -0.255 115.322 115.700 -0.204 0.000 2.481 383 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 383 S C 1.055 175.571 174.600 -0.139 0.000 0.996 383 S CA 1.133 59.243 58.200 -0.150 0.000 0.942 383 S CB -0.230 62.877 63.200 -0.154 0.000 0.768 383 S HN 0.773 nan 8.310 nan 0.000 0.520 384 D N 0.725 121.027 120.400 -0.163 0.000 2.340 384 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 384 D C 1.347 177.537 176.300 -0.182 0.000 1.039 384 D CA 0.569 54.476 54.000 -0.155 0.000 0.866 384 D CB -0.669 40.040 40.800 -0.153 0.000 0.913 384 D HN 0.553 nan 8.370 nan 0.000 0.523 385 G N -0.929 107.766 108.800 -0.175 0.000 2.141 385 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.242 385 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.242 385 G C 0.555 175.273 174.900 -0.303 0.000 0.982 385 G CA 0.055 45.034 45.100 -0.201 0.000 0.662 385 G HN 0.812 nan 8.290 nan 0.000 0.527 386 G N -1.359 107.271 108.800 -0.284 0.000 2.642 386 G HA2 0.890 4.850 3.960 -0.000 0.000 0.291 386 G HA3 0.890 4.850 3.960 -0.000 0.000 0.291 386 G C 0.227 175.102 174.900 -0.042 0.000 1.345 386 G CA 0.239 45.177 45.100 -0.269 0.000 1.043 386 G HN 1.494 nan 8.290 nan 0.000 0.528 387 V N -2.932 116.991 119.914 0.015 0.000 2.994 387 V HA 0.848 4.968 4.120 -0.000 0.000 0.318 387 V C -1.013 174.985 176.094 -0.160 0.000 1.085 387 V CA -1.201 61.021 62.300 -0.131 0.000 0.998 387 V CB 1.631 33.200 31.823 -0.424 0.000 1.063 387 V HN 0.784 nan 8.190 nan 0.000 0.447 388 Y N 2.159 122.296 120.300 -0.271 0.000 2.513 388 Y HA 0.757 5.307 4.550 -0.000 0.000 0.340 388 Y C -1.562 174.193 175.900 -0.240 0.000 1.055 388 Y CA -1.138 56.741 58.100 -0.368 0.000 1.020 388 Y CB 2.083 40.478 38.460 -0.107 0.000 1.301 388 Y HN 1.085 nan 8.280 nan 0.000 0.453 389 W N 3.377 124.012 121.300 -1.108 0.000 3.137 389 W HA 0.481 5.141 4.660 -0.000 0.000 0.324 389 W C -1.472 174.402 176.519 -1.075 0.000 1.253 389 W CA -1.298 55.532 57.345 -0.859 0.000 1.183 389 W CB 0.271 29.501 29.460 -0.383 0.000 1.424 389 W HN 0.532 nan 8.180 nan 0.000 0.566 390 D N 0.773 121.009 120.400 -0.273 0.000 2.520 390 D HA 0.336 4.976 4.640 -0.000 0.000 0.243 390 D C 1.260 177.595 176.300 0.059 0.000 1.160 390 D CA 2.993 56.951 54.000 -0.070 0.000 0.877 390 D CB 0.596 41.420 40.800 0.041 0.000 1.150 390 D HN 1.112 nan 8.370 nan 0.000 0.494 391 G N 2.801 111.622 108.800 0.034 0.000 2.254 391 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.225 391 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.225 391 G C 0.281 175.193 174.900 0.020 0.000 1.003 391 G CA 0.036 45.180 45.100 0.073 0.000 0.622 391 G HN 0.626 nan 8.290 nan 0.000 0.507 392 L N 2.700 123.813 121.223 -0.183 0.000 2.499 392 L HA 0.508 4.848 4.340 -0.000 0.000 0.273 392 L C 0.681 177.498 176.870 -0.088 0.000 1.195 392 L CA 0.802 55.457 54.840 -0.308 0.000 0.882 392 L CB 0.754 42.216 42.059 -0.996 0.000 1.133 392 L HN 0.370 nan 8.230 nan 0.000 0.483 393 D N 2.814 123.183 120.400 -0.051 0.000 2.696 393 D HA 0.040 4.680 4.640 -0.000 0.000 0.269 393 D C 0.133 176.427 176.300 -0.010 0.000 1.319 393 D CA -0.325 53.672 54.000 -0.004 0.000 0.826 393 D CB -0.206 40.588 40.800 -0.010 0.000 1.086 393 D HN 0.597 nan 8.370 nan 0.000 0.481 394 E N 1.794 121.978 120.200 -0.026 0.000 2.351 394 E HA 0.143 4.493 4.350 -0.000 0.000 0.266 394 E C -1.970 174.637 176.600 0.012 0.000 1.031 394 E CA -1.575 54.819 56.400 -0.011 0.000 0.911 394 E CB 0.633 30.322 29.700 -0.019 0.000 0.986 394 E HN -0.009 nan 8.360 nan 0.000 0.446 395 P HA -0.041 nan 4.420 nan 0.000 0.261 395 P C -0.884 176.416 177.300 -0.000 0.000 1.183 395 P CA 0.333 63.434 63.100 0.003 0.000 0.761 395 P CB 0.806 32.503 31.700 -0.004 0.000 0.785 396 T N 2.068 116.621 114.554 -0.001 0.000 2.900 396 T HA 0.235 4.585 4.350 -0.000 0.000 0.295 396 T C -0.546 174.136 174.700 -0.030 0.000 1.044 396 T CA -0.802 61.287 62.100 -0.018 0.000 0.995 396 T CB 0.852 69.720 68.868 -0.001 0.000 1.072 396 T HN 0.158 nan 8.240 nan 0.000 0.473 397 E N 3.214 123.384 120.200 -0.051 0.000 2.392 397 E HA 0.299 4.649 4.350 -0.000 0.000 0.259 397 E C -2.219 174.349 176.600 -0.053 0.000 1.108 397 E CA -1.801 54.569 56.400 -0.050 0.000 0.916 397 E CB 0.296 29.962 29.700 -0.057 0.000 0.989 397 E HN 0.475 nan 8.360 nan 0.000 0.432 398 P HA 0.095 nan 4.420 nan 0.000 0.268 398 P C 0.574 177.842 177.300 -0.054 0.000 1.205 398 P CA 0.532 63.606 63.100 -0.042 0.000 0.771 398 P CB 0.464 32.143 31.700 -0.035 0.000 0.858 399 G N 0.865 109.633 108.800 -0.054 0.000 2.179 399 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 399 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 399 G C 0.162 175.000 174.900 -0.103 0.000 0.977 399 G CA -0.180 44.883 45.100 -0.063 0.000 0.641 399 G HN 0.553 nan 8.290 nan 0.000 0.533 400 V N 2.391 122.220 119.914 -0.143 0.000 2.599 400 V HA 0.471 4.591 4.120 -0.000 0.000 0.300 400 V C 1.284 177.141 176.094 -0.396 0.000 1.034 400 V CA 0.986 63.133 62.300 -0.255 0.000 1.115 400 V CB 0.962 32.618 31.823 -0.279 0.000 0.934 400 V HN 0.775 nan 8.190 nan 0.000 0.485 401 T N 2.982 117.294 114.554 -0.402 0.000 2.949 401 T HA 0.743 5.093 4.350 -0.000 0.000 0.287 401 T C -1.039 173.358 174.700 -0.505 0.000 1.034 401 T CA -0.686 61.202 62.100 -0.353 0.000 1.018 401 T CB 1.487 70.283 68.868 -0.121 0.000 1.135 401 T HN 0.338 nan 8.240 nan 0.000 0.532 402 Y N -0.394 119.939 120.300 0.054 0.000 2.477 402 Y HA 0.611 5.161 4.550 -0.000 0.000 0.347 402 Y C 0.479 176.446 175.900 0.111 0.000 0.981 402 Y CA -1.013 57.141 58.100 0.091 0.000 1.033 402 Y CB 2.492 41.078 38.460 0.209 0.000 1.245 402 Y HN 0.903 nan 8.280 nan 0.000 0.455 403 T N 1.103 115.786 114.554 0.215 0.000 2.807 403 T HA 0.528 4.877 4.350 -0.000 0.000 0.279 403 T C -0.072 174.699 174.700 0.118 0.000 0.993 403 T CA -0.679 61.508 62.100 0.145 0.000 0.970 403 T CB 0.521 69.419 68.868 0.050 0.000 0.950 403 T HN 0.787 nan 8.240 nan 0.000 0.441 404 S N 5.110 120.871 115.700 0.101 0.000 2.617 404 S HA 0.166 4.636 4.470 -0.000 0.000 0.259 404 S C 1.618 176.237 174.600 0.032 0.000 1.301 404 S CA -0.531 57.690 58.200 0.034 0.000 0.984 404 S CB 0.175 63.383 63.200 0.014 0.000 0.954 404 S HN 0.999 nan 8.310 nan 0.000 0.572 405 W N 0.381 121.662 121.300 -0.032 0.000 2.468 405 W HA 0.021 4.681 4.660 -0.000 0.000 0.262 405 W C 0.682 177.193 176.519 -0.014 0.000 1.241 405 W CA 0.239 57.575 57.345 -0.015 0.000 1.232 405 W CB -1.124 28.335 29.460 -0.002 0.000 1.124 405 W HN 0.534 nan 8.180 nan 0.000 0.597 406 L N 1.525 122.242 121.223 -0.845 0.000 2.591 406 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 406 L C 1.812 178.489 176.870 -0.321 0.000 1.133 406 L CA 0.747 55.125 54.840 -0.769 0.000 0.880 406 L CB -0.940 40.615 42.059 -0.840 0.000 1.033 406 L HN 0.224 nan 8.230 nan 0.000 0.450 407 G N 0.488 109.173 108.800 -0.191 0.000 2.176 407 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 407 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 407 G C 0.001 174.863 174.900 -0.064 0.000 1.024 407 G CA 0.177 45.217 45.100 -0.100 0.000 0.755 407 G HN 0.270 nan 8.290 nan 0.000 0.507 408 K N 0.494 120.860 120.400 -0.056 0.000 2.259 408 K HA 0.626 4.946 4.320 -0.000 0.000 0.252 408 K C -2.254 174.384 176.600 0.064 0.000 0.936 408 K CA -2.334 53.948 56.287 -0.008 0.000 0.810 408 K CB 1.878 34.362 32.500 -0.027 0.000 1.143 408 K HN -0.062 nan 8.250 nan 0.000 0.427 409 P HA -0.105 nan 4.420 nan 0.000 0.261 409 P C -1.101 176.307 177.300 0.180 0.000 1.173 409 P CA 0.196 63.361 63.100 0.108 0.000 0.760 409 P CB 0.221 31.952 31.700 0.052 0.000 0.783 410 W N 5.297 126.613 121.300 0.027 0.000 2.883 410 W HA 0.457 5.117 4.660 -0.000 0.000 0.335 410 W C -0.962 175.562 176.519 0.007 0.000 1.083 410 W CA -0.712 56.635 57.345 0.005 0.000 1.233 410 W CB 1.902 31.361 29.460 -0.003 0.000 1.412 410 W HN 0.299 nan 8.180 nan 0.000 0.490 411 K N 3.476 123.387 120.400 -0.815 0.000 2.395 411 K HA 0.391 4.711 4.320 -0.000 0.000 0.247 411 K C 0.654 176.277 176.600 -1.628 0.000 0.973 411 K CA -0.825 54.932 56.287 -0.884 0.000 0.828 411 K CB 1.808 34.104 32.500 -0.340 0.000 1.272 411 K HN 0.557 nan 8.250 nan 0.000 0.439 412 H N 1.139 119.549 119.070 -1.100 0.000 2.431 412 H HA -0.158 4.398 4.556 -0.000 0.000 0.297 412 H C 1.864 176.919 175.328 -0.455 0.000 1.115 412 H CA 2.427 58.037 56.048 -0.731 0.000 1.277 412 H CB -0.069 29.533 29.762 -0.267 0.000 1.372 412 H HN 0.987 nan 8.280 nan 0.000 0.516 413 G N 0.737 109.360 108.800 -0.294 0.000 2.470 413 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 413 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 413 G C 0.315 175.102 174.900 -0.188 0.000 1.121 413 G CA 0.231 45.220 45.100 -0.184 0.000 0.766 413 G HN 0.304 nan 8.290 nan 0.000 0.553 414 D N 0.608 120.799 120.400 -0.348 0.000 2.414 414 D HA 0.179 4.819 4.640 -0.000 0.000 0.242 414 D C -0.930 175.366 176.300 -0.007 0.000 1.129 414 D CA -1.627 52.240 54.000 -0.221 0.000 0.885 414 D CB 1.394 41.955 40.800 -0.398 0.000 1.198 414 D HN 0.073 nan 8.370 nan 0.000 0.437 415 P HA -0.112 nan 4.420 nan 0.000 0.220 415 P C 0.213 177.600 177.300 0.144 0.000 1.148 415 P CA 1.000 64.146 63.100 0.077 0.000 0.803 415 P CB 0.271 32.001 31.700 0.050 0.000 0.782 416 E N 1.838 122.162 120.200 0.206 0.000 2.301 416 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 416 E C -2.445 174.411 176.600 0.427 0.000 1.030 416 E CA -3.001 53.562 56.400 0.272 0.000 0.852 416 E CB 0.113 29.970 29.700 0.261 0.000 1.060 416 E HN 0.181 nan 8.360 nan 0.000 0.401 417 P HA 0.022 nan 4.420 nan 0.000 0.274 417 P C 0.483 177.722 177.300 -0.100 0.000 1.231 417 P CA -0.397 62.786 63.100 0.140 0.000 0.790 417 P CB 1.229 32.947 31.700 0.030 0.000 0.951 418 C N 2.286 121.147 119.300 -0.731 0.000 2.466 418 C HA 0.192 4.652 4.460 -0.000 0.000 0.278 418 C C 1.314 176.192 174.990 -0.187 0.000 1.288 418 C CA 1.104 59.497 59.018 -1.042 0.000 1.722 418 C CB -1.283 25.415 27.740 -1.737 0.000 2.017 418 C HN 0.676 nan 8.230 nan 0.000 0.488 419 A N 0.233 122.971 122.820 -0.136 0.000 2.312 419 A HA 0.494 4.813 4.320 -0.000 0.000 0.326 419 A C -0.304 177.135 177.584 -0.241 0.000 1.172 419 A CA -0.302 51.710 52.037 -0.042 0.000 0.821 419 A CB -0.132 18.875 19.000 0.012 0.000 1.166 419 A HN 0.678 nan 8.150 nan 0.000 0.493 420 H N 2.593 121.210 119.070 -0.755 0.000 2.897 420 H HA 0.077 4.633 4.556 -0.000 0.000 0.347 420 H C -1.764 173.267 175.328 -0.496 0.000 1.068 420 H CA -0.869 54.582 56.048 -0.995 0.000 1.426 420 H CB 1.166 29.948 29.762 -1.634 0.000 1.410 420 H HN 0.293 nan 8.280 nan 0.000 0.597 421 P HA -0.108 nan 4.420 nan 0.000 0.223 421 P C 0.646 177.771 177.300 -0.292 0.000 1.144 421 P CA 1.265 64.088 63.100 -0.462 0.000 0.783 421 P CB 0.258 31.682 31.700 -0.460 0.000 0.771 422 N N -1.075 117.540 118.700 -0.141 0.000 2.214 422 N HA 0.013 4.753 4.740 -0.000 0.000 0.214 422 N C -0.380 175.078 175.510 -0.088 0.000 1.132 422 N CA -0.180 52.838 53.050 -0.054 0.000 0.856 422 N CB -0.144 38.329 38.487 -0.024 0.000 1.020 422 N HN -0.055 nan 8.380 nan 0.000 0.509 423 S N -0.078 115.545 115.700 -0.127 0.000 2.573 423 S HA 0.299 4.769 4.470 -0.000 0.000 0.277 423 S C 0.139 174.596 174.600 -0.238 0.000 1.346 423 S CA -0.314 57.799 58.200 -0.146 0.000 1.034 423 S CB 1.105 64.236 63.200 -0.115 0.000 0.879 423 S HN 0.099 nan 8.310 nan 0.000 0.528 424 R N 0.671 121.044 120.500 -0.212 0.000 2.837 424 R HA 0.551 4.891 4.340 -0.000 0.000 0.271 424 R C -0.969 175.202 176.300 -0.214 0.000 0.993 424 R CA -0.750 55.071 56.100 -0.464 0.000 0.931 424 R CB 1.252 31.061 30.300 -0.818 0.000 1.206 424 R HN 0.793 nan 8.270 nan 0.000 0.474 425 F N -1.436 118.341 119.950 -0.288 0.000 2.492 425 F HA 0.691 5.218 4.527 -0.000 0.000 0.327 425 F C -0.204 175.456 175.800 -0.234 0.000 1.079 425 F CA -1.424 56.354 58.000 -0.369 0.000 0.967 425 F CB 1.245 39.968 39.000 -0.462 0.000 1.169 425 F HN 0.319 nan 8.300 nan 0.000 0.472 426 C N 3.700 123.019 119.300 0.032 0.000 2.344 426 C HA 0.926 5.386 4.460 -0.000 0.000 0.326 426 C C -0.598 174.438 174.990 0.076 0.000 1.201 426 C CA 0.027 59.121 59.018 0.126 0.000 1.410 426 C CB -0.687 27.139 27.740 0.144 0.000 2.070 426 C HN 1.220 nan 8.230 nan 0.000 0.445 427 A N 7.310 130.219 122.820 0.148 0.000 2.486 427 A HA 0.921 5.241 4.320 -0.000 0.000 0.300 427 A C -3.116 174.501 177.584 0.055 0.000 1.048 427 A CA -1.204 50.889 52.037 0.092 0.000 0.696 427 A CB 1.610 20.670 19.000 0.100 0.000 1.278 427 A HN 0.597 nan 8.150 nan 0.000 0.405 428 P HA 0.315 nan 4.420 nan 0.000 0.271 428 P C 0.931 178.150 177.300 -0.136 0.000 1.216 428 P CA 0.398 63.455 63.100 -0.072 0.000 0.771 428 P CB 1.179 32.866 31.700 -0.021 0.000 0.864 429 A N 4.157 126.731 122.820 -0.410 0.000 1.917 429 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 429 A C 1.719 179.098 177.584 -0.342 0.000 1.182 429 A CA 2.079 53.723 52.037 -0.655 0.000 0.633 429 A CB -1.450 16.841 19.000 -1.182 0.000 0.819 429 A HN 0.696 nan 8.150 nan 0.000 0.448 430 D N -0.586 119.684 120.400 -0.218 0.000 2.354 430 D HA -0.229 4.411 4.640 -0.000 0.000 0.216 430 D C 1.477 177.765 176.300 -0.020 0.000 0.970 430 D CA 1.366 55.326 54.000 -0.068 0.000 0.905 430 D CB -0.430 40.427 40.800 0.095 0.000 0.903 430 D HN 0.693 nan 8.370 nan 0.000 0.508 431 Q N -0.392 119.405 119.800 -0.006 0.000 2.425 431 Q HA 0.077 4.417 4.340 -0.000 0.000 0.204 431 Q C 0.665 176.673 176.000 0.014 0.000 0.933 431 Q CA -0.196 55.616 55.803 0.015 0.000 0.939 431 Q CB 0.516 29.266 28.738 0.020 0.000 1.044 431 Q HN 0.275 nan 8.270 nan 0.000 0.513 432 C N 3.026 122.349 119.300 0.040 0.000 2.651 432 C HA 0.125 4.585 4.460 -0.000 0.000 0.410 432 C C -1.070 173.908 174.990 -0.020 0.000 1.372 432 C CA -1.651 57.373 59.018 0.010 0.000 1.707 432 C CB 0.424 28.206 27.740 0.071 0.000 2.501 432 C HN 0.342 nan 8.230 nan 0.000 0.598 433 P HA -0.005 nan 4.420 nan 0.000 0.233 433 P C 0.496 177.790 177.300 -0.010 0.000 1.167 433 P CA 1.195 64.285 63.100 -0.017 0.000 0.770 433 P CB -0.234 31.448 31.700 -0.029 0.000 0.837 434 I N -5.777 114.776 120.570 -0.029 0.000 3.736 434 I HA 0.311 4.481 4.170 -0.000 0.000 0.338 434 I C 0.178 176.341 176.117 0.076 0.000 1.558 434 I CA -0.746 60.537 61.300 -0.027 0.000 1.147 434 I CB -0.385 37.532 38.000 -0.138 0.000 1.275 434 I HN -0.344 nan 8.210 nan 0.000 0.454 435 M N 2.134 121.771 119.600 0.061 0.000 2.252 435 M HA 0.074 4.554 4.480 -0.000 0.000 0.348 435 M C 0.099 176.551 176.300 0.253 0.000 1.334 435 M CA 0.374 55.696 55.300 0.036 0.000 1.071 435 M CB -0.452 32.002 32.600 -0.243 0.000 1.763 435 M HN 0.340 nan 8.290 nan 0.000 0.452 436 D N 4.885 125.477 120.400 0.321 0.000 2.443 436 D HA 0.089 4.729 4.640 -0.000 0.000 0.239 436 D C -1.528 174.947 176.300 0.293 0.000 1.136 436 D CA -0.949 53.232 54.000 0.302 0.000 0.879 436 D CB 1.044 42.066 40.800 0.370 0.000 1.195 436 D HN 0.328 nan 8.370 nan 0.000 0.443 437 P HA -0.087 nan 4.420 nan 0.000 0.223 437 P C 0.185 177.565 177.300 0.134 0.000 1.144 437 P CA 0.992 64.178 63.100 0.143 0.000 0.783 437 P CB 0.228 31.959 31.700 0.051 0.000 0.771 438 R N -0.937 119.650 120.500 0.144 0.000 2.466 438 R HA 0.107 4.447 4.340 -0.000 0.000 0.279 438 R C 1.710 178.043 176.300 0.055 0.000 0.976 438 R CA -0.220 55.914 56.100 0.056 0.000 1.081 438 R CB -0.517 29.789 30.300 0.010 0.000 1.215 438 R HN 0.407 nan 8.270 nan 0.000 0.546 439 W N 2.256 123.576 121.300 0.033 0.000 2.392 439 W HA -0.122 4.538 4.660 -0.000 0.000 0.279 439 W C -0.344 176.171 176.519 -0.007 0.000 1.225 439 W CA 1.316 58.680 57.345 0.032 0.000 1.233 439 W CB -0.118 29.385 29.460 0.072 0.000 1.122 439 W HN 0.027 nan 8.180 nan 0.000 0.561 440 D N -0.183 119.698 120.400 -0.864 0.000 2.623 440 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 440 D C -0.534 175.508 176.300 -0.431 0.000 1.294 440 D CA -0.469 53.010 54.000 -0.870 0.000 0.824 440 D CB -0.807 39.177 40.800 -1.359 0.000 1.070 440 D HN -0.204 nan 8.370 nan 0.000 0.487 441 D N 1.954 122.189 120.400 -0.274 0.000 2.390 441 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 441 D C -1.087 175.126 176.300 -0.145 0.000 1.144 441 D CA -1.819 52.078 54.000 -0.172 0.000 0.880 441 D CB 1.934 42.661 40.800 -0.122 0.000 1.182 441 D HN -0.043 nan 8.370 nan 0.000 0.451 442 P HA -0.112 nan 4.420 nan 0.000 0.219 442 P C 0.491 177.744 177.300 -0.080 0.000 1.150 442 P CA 1.037 64.079 63.100 -0.096 0.000 0.814 442 P CB 0.366 32.017 31.700 -0.081 0.000 0.787 443 E N -0.230 119.924 120.200 -0.077 0.000 2.274 443 E HA 0.206 4.556 4.350 -0.000 0.000 0.194 443 E C 1.236 177.791 176.600 -0.075 0.000 0.996 443 E CA 0.570 56.930 56.400 -0.066 0.000 0.840 443 E CB -0.530 29.136 29.700 -0.057 0.000 0.772 443 E HN 0.269 nan 8.360 nan 0.000 0.491 444 G N 0.351 109.094 108.800 -0.094 0.000 2.757 444 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.638 444 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.638 444 G C -0.267 174.530 174.900 -0.171 0.000 1.344 444 G CA -0.513 44.522 45.100 -0.109 0.000 0.855 444 G HN 0.598 nan 8.290 nan 0.000 0.537 445 V N -2.337 117.428 119.914 -0.247 0.000 2.581 445 V HA 0.890 5.010 4.120 -0.000 0.000 0.303 445 V C -2.210 173.725 176.094 -0.266 0.000 1.041 445 V CA -2.042 59.975 62.300 -0.470 0.000 0.907 445 V CB 2.180 33.336 31.823 -1.112 0.000 0.994 445 V HN 0.896 nan 8.190 nan 0.000 0.442 446 P HA 0.382 nan 4.420 nan 0.000 0.282 446 P C -0.811 176.548 177.300 0.099 0.000 1.262 446 P CA -0.101 63.003 63.100 0.007 0.000 0.773 446 P CB 0.890 32.625 31.700 0.060 0.000 0.879 447 I N 4.092 124.717 120.570 0.091 0.000 2.304 447 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 447 I C 1.001 177.209 176.117 0.151 0.000 1.018 447 I CA 0.130 61.513 61.300 0.138 0.000 1.260 447 I CB 0.785 38.854 38.000 0.115 0.000 1.390 447 I HN 0.291 nan 8.210 nan 0.000 0.475 448 D N 4.653 125.143 120.400 0.151 0.000 2.417 448 D HA 0.294 4.934 4.640 -0.000 0.000 0.207 448 D C 0.447 176.850 176.300 0.172 0.000 1.075 448 D CA 0.466 54.544 54.000 0.131 0.000 0.851 448 D CB 1.335 42.167 40.800 0.053 0.000 0.976 448 D HN 0.593 nan 8.370 nan 0.000 0.505 449 A N 0.582 123.510 122.820 0.179 0.000 2.488 449 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 449 A C -1.127 176.558 177.584 0.168 0.000 1.044 449 A CA -0.531 51.651 52.037 0.240 0.000 0.693 449 A CB 1.284 20.374 19.000 0.151 0.000 1.272 449 A HN 0.008 nan 8.150 nan 0.000 0.402 450 I N 2.479 123.145 120.570 0.160 0.000 2.433 450 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 450 I C -0.880 175.088 176.117 -0.248 0.000 1.001 450 I CA -0.483 60.777 61.300 -0.067 0.000 1.119 450 I CB 1.828 39.782 38.000 -0.076 0.000 1.289 450 I HN 0.516 nan 8.210 nan 0.000 0.438 451 I N 6.061 126.411 120.570 -0.367 0.000 2.418 451 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 451 I C -0.903 174.963 176.117 -0.419 0.000 1.008 451 I CA -0.440 60.701 61.300 -0.265 0.000 1.104 451 I CB 1.311 39.269 38.000 -0.070 0.000 1.264 451 I HN 0.273 nan 8.210 nan 0.000 0.438 452 F N 3.558 123.465 119.950 -0.071 0.000 2.397 452 F HA 0.844 5.371 4.527 -0.000 0.000 0.331 452 F C 0.869 176.479 175.800 -0.316 0.000 1.090 452 F CA -0.714 57.194 58.000 -0.153 0.000 1.065 452 F CB 1.874 40.755 39.000 -0.200 0.000 1.184 452 F HN 0.447 nan 8.300 nan 0.000 0.499 453 G N -0.229 108.568 108.800 -0.004 0.000 2.616 453 G HA2 0.567 4.527 3.960 -0.000 0.000 0.294 453 G HA3 0.567 4.527 3.960 -0.000 0.000 0.294 453 G C -1.326 173.404 174.900 -0.284 0.000 1.489 453 G CA -0.202 44.611 45.100 -0.478 0.000 0.836 453 G HN 0.985 nan 8.290 nan 0.000 0.527 454 G N -0.614 108.003 108.800 -0.305 0.000 2.782 454 G HA2 0.639 4.599 3.960 -0.000 0.000 0.304 454 G HA3 0.639 4.599 3.960 -0.000 0.000 0.304 454 G C -1.180 173.633 174.900 -0.145 0.000 1.315 454 G CA -1.006 43.985 45.100 -0.182 0.000 0.791 454 G HN 0.612 nan 8.290 nan 0.000 0.519 455 R N 1.023 121.383 120.500 -0.232 0.000 2.220 455 R HA 0.435 4.774 4.340 -0.000 0.000 0.340 455 R C -0.596 175.653 176.300 -0.085 0.000 1.076 455 R CA -0.411 55.533 56.100 -0.260 0.000 0.920 455 R CB 0.730 30.715 30.300 -0.525 0.000 1.062 455 R HN 0.096 nan 8.270 nan 0.000 0.469 456 R N 4.029 124.541 120.500 0.020 0.000 2.435 456 R HA 0.196 4.536 4.340 -0.000 0.000 0.308 456 R C -2.007 174.306 176.300 0.022 0.000 0.975 456 R CA -2.247 53.850 56.100 -0.006 0.000 0.867 456 R CB 1.662 31.949 30.300 -0.021 0.000 1.171 456 R HN 0.407 nan 8.270 nan 0.000 0.470 457 P HA -0.038 nan 4.420 nan 0.000 0.229 457 P C -0.058 177.212 177.300 -0.050 0.000 1.160 457 P CA 0.667 63.781 63.100 0.023 0.000 0.777 457 P CB 0.834 32.532 31.700 -0.002 0.000 0.814 458 R N -1.708 118.719 120.500 -0.122 0.000 2.651 458 R HA 0.444 4.784 4.340 -0.000 0.000 0.278 458 R C 0.904 176.830 176.300 -0.624 0.000 1.010 458 R CA 0.136 56.080 56.100 -0.260 0.000 0.896 458 R CB 1.612 31.814 30.300 -0.163 0.000 1.211 458 R HN 0.146 nan 8.270 nan 0.000 0.456 459 G N 0.801 109.092 108.800 -0.849 0.000 2.347 459 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.247 459 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.247 459 G C -0.124 174.219 174.900 -0.929 0.000 1.037 459 G CA 0.407 44.546 45.100 -1.601 0.000 0.622 459 G HN 0.394 nan 8.290 nan 0.000 0.521 460 V N 3.503 123.108 119.914 -0.516 0.000 2.364 460 V HA 0.477 4.597 4.120 -0.000 0.000 0.272 460 V C -1.481 174.549 176.094 -0.107 0.000 1.036 460 V CA -1.393 60.847 62.300 -0.100 0.000 0.880 460 V CB 1.435 33.252 31.823 -0.009 0.000 0.991 460 V HN 0.178 nan 8.190 nan 0.000 0.460 461 P HA 0.127 nan 4.420 nan 0.000 0.272 461 P C 0.847 177.936 177.300 -0.352 0.000 1.240 461 P CA -0.509 62.441 63.100 -0.249 0.000 0.791 461 P CB 0.713 32.363 31.700 -0.083 0.000 0.978 462 L N 2.175 122.979 121.223 -0.698 0.000 2.043 462 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 462 L C 0.495 177.117 176.870 -0.413 0.000 1.075 462 L CA 2.136 56.575 54.840 -0.669 0.000 0.752 462 L CB -0.197 41.245 42.059 -1.029 0.000 0.891 462 L HN 0.212 nan 8.230 nan 0.000 0.432 463 V N -0.565 119.216 119.914 -0.223 0.000 2.817 463 V HA 0.521 4.641 4.120 -0.000 0.000 0.303 463 V C -1.426 174.779 176.094 0.185 0.000 1.151 463 V CA -0.666 61.646 62.300 0.020 0.000 0.929 463 V CB 2.143 33.993 31.823 0.045 0.000 1.030 463 V HN -0.225 nan 8.190 nan 0.000 0.427 464 V N 5.487 125.559 119.914 0.264 0.000 2.709 464 V HA 0.562 4.682 4.120 -0.000 0.000 0.308 464 V C -0.336 175.988 176.094 0.383 0.000 1.062 464 V CA -0.618 61.844 62.300 0.271 0.000 0.901 464 V CB 1.982 33.886 31.823 0.136 0.000 1.003 464 V HN 0.964 nan 8.190 nan 0.000 0.425 465 E N 2.686 123.128 120.200 0.403 0.000 2.197 465 E HA 0.680 5.030 4.350 -0.000 0.000 0.281 465 E C 0.037 176.632 176.600 -0.009 0.000 0.995 465 E CA -0.544 55.922 56.400 0.110 0.000 0.808 465 E CB 1.716 31.512 29.700 0.160 0.000 1.093 465 E HN 0.919 nan 8.360 nan 0.000 0.394 466 A N 3.588 126.324 122.820 -0.139 0.000 2.466 466 A HA 0.038 4.358 4.320 -0.000 0.000 0.238 466 A C 0.157 177.850 177.584 0.180 0.000 1.074 466 A CA -0.039 51.968 52.037 -0.051 0.000 0.774 466 A CB 0.026 18.968 19.000 -0.097 0.000 1.015 466 A HN 0.746 nan 8.150 nan 0.000 0.498 467 F N 1.023 121.257 119.950 0.474 0.000 2.502 467 F HA 0.290 4.817 4.527 -0.000 0.000 0.298 467 F C 1.612 177.566 175.800 0.257 0.000 1.111 467 F CA 1.028 59.167 58.000 0.233 0.000 1.445 467 F CB -0.493 38.456 39.000 -0.085 0.000 1.081 467 F HN 0.831 nan 8.300 nan 0.000 0.558 468 G N -2.899 106.154 108.800 0.422 0.000 2.342 468 G HA2 0.025 3.984 3.960 -0.000 0.000 0.297 468 G HA3 0.025 3.984 3.960 -0.000 0.000 0.297 468 G C -0.290 174.826 174.900 0.360 0.000 1.313 468 G CA -0.434 44.880 45.100 0.356 0.000 0.830 468 G HN 0.071 nan 8.290 nan 0.000 0.506 469 W N 0.498 121.921 121.300 0.204 0.000 2.333 469 W HA -0.104 4.556 4.660 -0.000 0.000 0.316 469 W C 2.361 179.027 176.519 0.245 0.000 1.215 469 W CA 1.890 59.368 57.345 0.222 0.000 1.278 469 W CB 0.049 29.629 29.460 0.199 0.000 1.154 469 W HN 0.641 nan 8.180 nan 0.000 0.486 470 R N -1.074 119.642 120.500 0.360 0.000 2.081 470 R HA -0.217 4.122 4.340 -0.000 0.000 0.235 470 R C 2.504 178.932 176.300 0.214 0.000 1.131 470 R CA 1.845 58.094 56.100 0.249 0.000 0.960 470 R CB -1.222 29.217 30.300 0.232 0.000 0.856 470 R HN 0.383 nan 8.270 nan 0.000 0.436 471 H N -0.319 118.831 119.070 0.134 0.000 2.321 471 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 471 H C 1.997 177.402 175.328 0.129 0.000 1.087 471 H CA 1.434 57.568 56.048 0.142 0.000 1.319 471 H CB 0.005 29.856 29.762 0.147 0.000 1.379 471 H HN 0.325 nan 8.280 nan 0.000 0.501 472 G N 0.206 108.969 108.800 -0.062 0.000 2.422 472 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 472 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 472 G C 1.871 176.636 174.900 -0.224 0.000 1.146 472 G CA 0.884 45.885 45.100 -0.166 0.000 0.769 472 G HN 0.337 nan 8.290 nan 0.000 0.547 473 V N 0.557 120.351 119.914 -0.199 0.000 2.343 473 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 473 V C 2.320 178.377 176.094 -0.063 0.000 1.051 473 V CA 1.869 64.121 62.300 -0.080 0.000 1.036 473 V CB -0.621 31.236 31.823 0.056 0.000 0.654 473 V HN 0.424 nan 8.190 nan 0.000 0.451 474 F N 0.675 120.545 119.950 -0.132 0.000 2.095 474 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 474 F C 2.318 178.003 175.800 -0.193 0.000 1.104 474 F CA 2.078 60.017 58.000 -0.100 0.000 1.232 474 F CB -0.320 38.674 39.000 -0.010 0.000 0.987 474 F HN 0.069 nan 8.300 nan 0.000 0.475 475 M N 0.257 119.542 119.600 -0.526 0.000 2.117 475 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 475 M C 2.535 178.334 176.300 -0.836 0.000 1.065 475 M CA 1.689 56.585 55.300 -0.674 0.000 1.114 475 M CB -1.488 30.851 32.600 -0.435 0.000 1.361 475 M HN 0.361 nan 8.290 nan 0.000 0.408 476 G N 0.640 108.616 108.800 -1.373 0.000 2.476 476 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 476 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 476 G C 1.654 176.001 174.900 -0.921 0.000 1.164 476 G CA 1.518 45.274 45.100 -2.239 0.000 0.768 476 G HN 0.576 nan 8.290 nan 0.000 0.560 477 S N 0.633 116.115 115.700 -0.364 0.000 2.447 477 S HA 0.272 4.742 4.470 -0.000 0.000 0.233 477 S C 2.244 176.860 174.600 0.027 0.000 1.006 477 S CA 1.350 59.585 58.200 0.058 0.000 0.957 477 S CB -0.164 63.083 63.200 0.078 0.000 0.773 477 S HN 0.644 nan 8.310 nan 0.000 0.507 478 A N 0.656 123.305 122.820 -0.285 0.000 2.275 478 A HA 0.516 4.835 4.320 -0.000 0.000 0.212 478 A C 0.863 178.294 177.584 -0.254 0.000 1.201 478 A CA -0.439 51.413 52.037 -0.309 0.000 0.843 478 A CB -0.523 18.074 19.000 -0.671 0.000 0.873 478 A HN 0.572 nan 8.150 nan 0.000 0.492 479 M N 1.018 120.488 119.600 -0.218 0.000 2.260 479 M HA 0.105 4.585 4.480 -0.000 0.000 0.348 479 M C 0.092 176.289 176.300 -0.172 0.000 1.342 479 M CA 1.023 56.247 55.300 -0.127 0.000 1.040 479 M CB 0.208 32.762 32.600 -0.077 0.000 1.810 479 M HN 0.275 nan 8.290 nan 0.000 0.453 480 R N 1.269 121.651 120.500 -0.197 0.000 2.744 480 R HA 0.707 5.047 4.340 -0.000 0.000 0.279 480 R C -1.202 174.991 176.300 -0.179 0.000 0.977 480 R CA -0.745 55.174 56.100 -0.303 0.000 0.906 480 R CB 2.440 32.448 30.300 -0.486 0.000 1.197 480 R HN 0.644 nan 8.270 nan 0.000 0.463 481 S N 0.594 116.187 115.700 -0.178 0.000 2.537 481 S HA 0.190 4.660 4.470 -0.000 0.000 0.270 481 S C -1.366 173.148 174.600 -0.144 0.000 1.142 481 S CA -0.785 57.330 58.200 -0.141 0.000 0.870 481 S CB 1.397 64.532 63.200 -0.108 0.000 1.112 481 S HN 0.551 nan 8.310 nan 0.000 0.466 482 E N 2.027 122.141 120.200 -0.144 0.000 2.465 482 E HA 0.315 4.664 4.350 -0.000 0.000 0.260 482 E C 0.356 176.892 176.600 -0.108 0.000 0.980 482 E CA 0.112 56.437 56.400 -0.125 0.000 0.927 482 E CB 0.548 30.169 29.700 -0.131 0.000 0.934 482 E HN 0.658 nan 8.360 nan 0.000 0.459 483 A N 3.503 126.277 122.820 -0.076 0.000 2.498 483 A HA 0.191 4.510 4.320 -0.000 0.000 0.239 483 A C 0.579 178.145 177.584 -0.029 0.000 1.068 483 A CA 0.049 52.069 52.037 -0.029 0.000 0.766 483 A CB 0.165 19.175 19.000 0.017 0.000 1.003 483 A HN 0.671 nan 8.150 nan 0.000 0.497 484 T N -1.638 112.912 114.554 -0.007 0.000 2.804 484 T HA 0.646 4.996 4.350 -0.000 0.000 0.272 484 T C 0.819 175.511 174.700 -0.014 0.000 0.986 484 T CA -0.010 62.073 62.100 -0.027 0.000 0.999 484 T CB 1.286 70.134 68.868 -0.033 0.000 1.307 484 T HN 1.251 nan 8.240 nan 0.000 0.586 485 A N -0.567 122.227 122.820 -0.043 0.000 2.278 485 A HA 0.601 4.921 4.320 -0.000 0.000 0.212 485 A C 2.126 179.692 177.584 -0.031 0.000 1.213 485 A CA 0.581 52.583 52.037 -0.058 0.000 0.840 485 A CB -1.236 17.684 19.000 -0.133 0.000 0.866 485 A HN 1.086 nan 8.150 nan 0.000 0.489 486 A N -0.833 121.994 122.820 0.011 0.000 2.119 486 A HA 0.541 4.861 4.320 -0.000 0.000 0.217 486 A C 1.350 178.970 177.584 0.059 0.000 1.153 486 A CA 1.347 53.422 52.037 0.064 0.000 0.692 486 A CB -0.278 18.802 19.000 0.135 0.000 0.799 486 A HN 0.990 nan 8.150 nan 0.000 0.458 487 A N -0.698 122.131 122.820 0.015 0.000 2.973 487 A HA 0.579 4.899 4.320 -0.000 0.000 0.267 487 A C 0.752 178.255 177.584 -0.135 0.000 1.210 487 A CA 0.322 52.328 52.037 -0.051 0.000 0.749 487 A CB 0.089 19.064 19.000 -0.042 0.000 1.373 487 A HN 0.138 nan 8.150 nan 0.000 0.585 488 E N 0.708 120.736 120.200 -0.287 0.000 2.489 488 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 488 E C -0.609 175.839 176.600 -0.253 0.000 1.057 488 E CA 0.062 56.306 56.400 -0.258 0.000 0.866 488 E CB -0.377 29.182 29.700 -0.234 0.000 0.916 488 E HN 0.593 nan 8.360 nan 0.000 0.500 489 H N 1.634 120.698 119.070 -0.009 0.000 2.722 489 H HA 0.162 4.718 4.556 -0.000 0.000 0.328 489 H C -0.223 175.095 175.328 -0.018 0.000 1.067 489 H CA -0.145 55.896 56.048 -0.012 0.000 1.447 489 H CB 0.703 30.456 29.762 -0.016 0.000 1.469 489 H HN -0.145 nan 8.280 nan 0.000 0.544 490 K N 2.025 122.484 120.400 0.098 0.000 2.276 490 K HA 0.362 4.682 4.320 -0.000 0.000 0.283 490 K C 0.835 177.450 176.600 0.026 0.000 1.044 490 K CA -0.470 55.842 56.287 0.041 0.000 0.944 490 K CB 1.408 33.926 32.500 0.031 0.000 1.012 490 K HN 0.820 nan 8.250 nan 0.000 0.472 491 G N -0.012 108.790 108.800 0.003 0.000 2.528 491 G HA2 0.457 4.417 3.960 -0.000 0.000 0.289 491 G HA3 0.457 4.417 3.960 -0.000 0.000 0.289 491 G C 0.419 175.307 174.900 -0.021 0.000 1.192 491 G CA -0.645 44.447 45.100 -0.014 0.000 0.921 491 G HN 0.809 nan 8.290 nan 0.000 0.512 492 G N -0.233 108.548 108.800 -0.032 0.000 3.860 492 G HA2 0.331 4.291 3.960 -0.000 0.000 0.269 492 G HA3 0.331 4.291 3.960 -0.000 0.000 0.269 492 G C 0.539 175.408 174.900 -0.051 0.000 1.112 492 G CA -0.626 44.447 45.100 -0.044 0.000 1.674 492 G HN 0.639 nan 8.290 nan 0.000 0.628 493 R N 1.409 121.884 120.500 -0.041 0.000 2.502 493 R HA 0.084 4.424 4.340 -0.000 0.000 0.292 493 R C -0.375 175.874 176.300 -0.084 0.000 0.998 493 R CA -0.607 55.462 56.100 -0.052 0.000 1.056 493 R CB 0.339 30.619 30.300 -0.033 0.000 0.939 493 R HN 0.214 nan 8.270 nan 0.000 0.411 494 L N 6.115 127.279 121.223 -0.099 0.000 2.361 494 L HA 0.228 4.568 4.340 -0.000 0.000 0.278 494 L C -0.546 176.220 176.870 -0.174 0.000 1.113 494 L CA 0.928 55.683 54.840 -0.142 0.000 0.849 494 L CB 0.697 42.667 42.059 -0.149 0.000 1.155 494 L HN 0.714 nan 8.230 nan 0.000 0.452 495 M N 4.242 123.720 119.600 -0.203 0.000 2.518 495 M HA 0.383 4.863 4.480 -0.000 0.000 0.300 495 M C -0.716 175.424 176.300 -0.267 0.000 1.175 495 M CA -0.755 54.424 55.300 -0.202 0.000 0.890 495 M CB 1.961 34.445 32.600 -0.194 0.000 1.710 495 M HN 0.439 nan 8.290 nan 0.000 0.453 496 H N 1.484 120.392 119.070 -0.271 0.000 2.848 496 H HA 0.097 4.653 4.556 -0.000 0.000 0.341 496 H C -0.872 174.365 175.328 -0.152 0.000 1.060 496 H CA 0.839 56.670 56.048 -0.362 0.000 1.444 496 H CB 0.805 30.041 29.762 -0.877 0.000 1.446 496 H HN 0.474 nan 8.280 nan 0.000 0.583 497 D N 4.160 124.565 120.400 0.008 0.000 2.823 497 D HA 0.141 4.780 4.640 -0.000 0.000 0.255 497 D C -2.719 173.660 176.300 0.131 0.000 1.257 497 D CA -1.577 52.467 54.000 0.073 0.000 0.803 497 D CB 0.891 41.709 40.800 0.029 0.000 1.384 497 D HN 0.265 nan 8.370 nan 0.000 0.541 498 P HA 0.022 nan 4.420 nan 0.000 0.263 498 P C 0.275 177.817 177.300 0.402 0.000 1.195 498 P CA -0.027 63.284 63.100 0.352 0.000 0.762 498 P CB 0.030 32.096 31.700 0.610 0.000 0.799 499 F N 1.709 121.651 119.950 -0.014 0.000 3.048 499 F HA -0.298 4.229 4.527 -0.000 0.000 0.287 499 F C 1.474 177.368 175.800 0.155 0.000 0.796 499 F CA 1.130 59.163 58.000 0.056 0.000 1.111 499 F CB -2.602 36.487 39.000 0.148 0.000 1.320 499 F HN 0.597 nan 8.300 nan 0.000 0.430 500 A N -1.674 121.295 122.820 0.249 0.000 2.816 500 A HA -0.308 4.012 4.320 -0.000 0.000 0.270 500 A C 1.436 179.225 177.584 0.341 0.000 1.413 500 A CA 1.691 53.906 52.037 0.297 0.000 0.866 500 A CB -1.380 17.812 19.000 0.320 0.000 1.032 500 A HN 0.411 nan 8.150 nan 0.000 0.642 501 M N -1.463 118.168 119.600 0.052 0.000 2.333 501 M HA 0.132 4.612 4.480 -0.000 0.000 0.257 501 M C 1.682 177.498 176.300 -0.806 0.000 1.078 501 M CA 0.623 55.705 55.300 -0.364 0.000 1.005 501 M CB -0.509 31.578 32.600 -0.856 0.000 1.444 501 M HN 0.656 nan 8.290 nan 0.000 0.496 502 R N 1.807 122.101 120.500 -0.343 0.000 2.113 502 R HA -0.164 4.176 4.340 -0.000 0.000 0.244 502 R C -1.065 175.071 176.300 -0.273 0.000 1.142 502 R CA 1.900 57.921 56.100 -0.133 0.000 0.953 502 R CB -1.054 29.264 30.300 0.029 0.000 0.860 502 R HN 0.173 nan 8.270 nan 0.000 0.438 503 P HA 0.005 nan 4.420 nan 0.000 0.245 503 P C -0.077 176.711 177.300 -0.853 0.000 1.212 503 P CA 0.931 63.547 63.100 -0.807 0.000 0.774 503 P CB 0.147 31.093 31.700 -1.255 0.000 0.999 504 F N -3.363 116.431 119.950 -0.261 0.000 2.798 504 F HA 0.312 4.839 4.527 -0.000 0.000 0.328 504 F C 0.569 176.209 175.800 -0.265 0.000 1.098 504 F CA -1.098 56.744 58.000 -0.263 0.000 1.172 504 F CB -0.667 38.162 39.000 -0.285 0.000 1.072 504 F HN -0.313 nan 8.300 nan 0.000 0.555 505 F N 1.001 120.914 119.950 -0.062 0.000 2.602 505 F HA 0.306 4.833 4.527 -0.000 0.000 0.385 505 F C 1.633 177.383 175.800 -0.083 0.000 1.063 505 F CA 0.054 57.955 58.000 -0.165 0.000 1.233 505 F CB 0.353 39.187 39.000 -0.278 0.000 1.067 505 F HN 0.104 nan 8.300 nan 0.000 0.564 506 G N 2.764 111.686 108.800 0.203 0.000 3.088 506 G HA2 0.199 4.159 3.960 -0.000 0.000 0.217 506 G HA3 0.199 4.159 3.960 -0.000 0.000 0.217 506 G C -0.595 174.494 174.900 0.316 0.000 1.159 506 G CA 0.254 45.481 45.100 0.212 0.000 0.760 506 G HN 0.644 nan 8.290 nan 0.000 0.550 507 Y N -2.668 117.688 120.300 0.093 0.000 2.764 507 Y HA 0.503 5.053 4.550 -0.000 0.000 0.331 507 Y C -0.611 175.276 175.900 -0.022 0.000 1.280 507 Y CA -2.485 55.637 58.100 0.037 0.000 1.065 507 Y CB 0.106 38.578 38.460 0.020 0.000 1.319 507 Y HN -0.153 nan 8.280 nan 0.000 0.453 508 N N 1.001 119.685 118.700 -0.027 0.000 2.236 508 N HA -0.081 4.659 4.740 -0.000 0.000 0.274 508 N C 0.984 176.247 175.510 -0.412 0.000 1.339 508 N CA 1.049 53.992 53.050 -0.178 0.000 0.845 508 N CB 1.344 39.814 38.487 -0.027 0.000 1.091 508 N HN 0.984 nan 8.380 nan 0.000 0.489 509 A N 4.231 126.674 122.820 -0.628 0.000 1.969 509 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 509 A C 2.054 179.564 177.584 -0.123 0.000 1.169 509 A CA 1.689 53.202 52.037 -0.874 0.000 0.635 509 A CB -0.840 17.311 19.000 -1.416 0.000 0.810 509 A HN 0.749 nan 8.150 nan 0.000 0.445 510 G N -0.341 108.492 108.800 0.055 0.000 2.440 510 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 510 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 510 G C 1.761 176.750 174.900 0.149 0.000 1.154 510 G CA 0.917 46.164 45.100 0.245 0.000 0.767 510 G HN 0.584 nan 8.290 nan 0.000 0.552 511 R N -1.131 119.442 120.500 0.122 0.000 2.115 511 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 511 R C 2.279 178.789 176.300 0.350 0.000 1.100 511 R CA 1.028 57.261 56.100 0.221 0.000 0.980 511 R CB -0.455 30.012 30.300 0.279 0.000 0.875 511 R HN 0.541 nan 8.270 nan 0.000 0.445 512 Y N 1.600 121.949 120.300 0.082 0.000 2.181 512 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 512 Y C 1.822 177.881 175.900 0.265 0.000 1.146 512 Y CA 1.371 59.570 58.100 0.166 0.000 1.164 512 Y CB -0.193 38.169 38.460 -0.164 0.000 0.982 512 Y HN -0.076 nan 8.280 nan 0.000 0.515 513 L N -0.005 121.379 121.223 0.268 0.000 2.056 513 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 513 L C 2.496 179.464 176.870 0.164 0.000 1.078 513 L CA 1.641 56.565 54.840 0.139 0.000 0.749 513 L CB -0.614 41.501 42.059 0.092 0.000 0.901 513 L HN 0.181 nan 8.230 nan 0.000 0.433 514 E N -0.006 120.295 120.200 0.169 0.000 2.085 514 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 514 E C 2.070 178.789 176.600 0.198 0.000 0.994 514 E CA 1.575 58.074 56.400 0.165 0.000 0.801 514 E CB -0.162 29.623 29.700 0.142 0.000 0.743 514 E HN 0.452 nan 8.360 nan 0.000 0.453 515 H N -1.535 117.595 119.070 0.099 0.000 2.353 515 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 515 H C 1.610 176.935 175.328 -0.005 0.000 1.090 515 H CA 2.101 58.163 56.048 0.022 0.000 1.327 515 H CB -0.506 29.258 29.762 0.003 0.000 1.383 515 H HN 0.219 nan 8.280 nan 0.000 0.508 516 W N 0.505 121.725 121.300 -0.133 0.000 2.358 516 W HA -0.100 4.560 4.660 -0.000 0.000 0.303 516 W C 2.425 179.128 176.519 0.307 0.000 1.208 516 W CA 1.329 58.659 57.345 -0.025 0.000 1.274 516 W CB -0.429 28.920 29.460 -0.185 0.000 1.138 516 W HN 0.182 nan 8.180 nan 0.000 0.515 517 L N -0.599 120.887 121.223 0.439 0.000 1.989 517 L HA -0.307 4.033 4.340 -0.000 0.000 0.211 517 L C 2.437 179.482 176.870 0.292 0.000 1.071 517 L CA 1.692 56.786 54.840 0.423 0.000 0.749 517 L CB -1.265 40.948 42.059 0.258 0.000 0.890 517 L HN -0.156 nan 8.230 nan 0.000 0.431 518 S N -0.992 114.795 115.700 0.145 0.000 2.399 518 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 518 S C 1.967 176.541 174.600 -0.044 0.000 1.022 518 S CA 1.686 59.912 58.200 0.043 0.000 0.983 518 S CB -0.358 62.868 63.200 0.044 0.000 0.803 518 S HN 0.452 nan 8.310 nan 0.000 0.480 519 T N 1.584 116.089 114.554 -0.080 0.000 2.759 519 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 519 T C 1.964 176.496 174.700 -0.281 0.000 1.042 519 T CA 1.383 63.399 62.100 -0.139 0.000 1.140 519 T CB -0.683 68.049 68.868 -0.227 0.000 0.864 519 T HN 0.569 nan 8.240 nan 0.000 0.455 520 G N 0.583 109.115 108.800 -0.448 0.000 2.679 520 G HA2 0.034 3.994 3.960 -0.000 0.000 0.212 520 G HA3 0.034 3.994 3.960 -0.000 0.000 0.212 520 G C 1.178 175.754 174.900 -0.540 0.000 1.137 520 G CA 0.162 44.566 45.100 -1.161 0.000 0.787 520 G HN 0.472 nan 8.290 nan 0.000 0.534 521 L N -0.410 120.641 121.223 -0.287 0.000 2.640 521 L HA 0.292 4.632 4.340 -0.000 0.000 0.230 521 L C 1.309 178.053 176.870 -0.209 0.000 1.123 521 L CA -0.608 54.121 54.840 -0.186 0.000 0.900 521 L CB 0.062 42.072 42.059 -0.082 0.000 1.146 521 L HN 0.047 nan 8.230 nan 0.000 0.484 522 R N 1.282 121.607 120.500 -0.292 0.000 2.504 522 R HA -0.011 4.328 4.340 -0.000 0.000 0.291 522 R C 0.137 176.247 176.300 -0.316 0.000 0.974 522 R CA 0.193 56.101 56.100 -0.320 0.000 1.077 522 R CB 0.370 30.361 30.300 -0.515 0.000 0.926 522 R HN 0.008 nan 8.270 nan 0.000 0.407 523 S N 5.060 120.629 115.700 -0.217 0.000 2.544 523 S HA -0.003 4.467 4.470 -0.000 0.000 0.290 523 S C 0.183 174.663 174.600 -0.200 0.000 1.276 523 S CA 0.073 58.169 58.200 -0.174 0.000 1.075 523 S CB 0.207 63.337 63.200 -0.117 0.000 0.849 523 S HN 0.911 nan 8.310 nan 0.000 0.494 524 N N -0.535 118.061 118.700 -0.173 0.000 2.815 524 N HA -0.209 4.531 4.740 -0.000 0.000 0.247 524 N C 0.130 175.514 175.510 -0.210 0.000 1.030 524 N CA 1.016 53.973 53.050 -0.155 0.000 0.881 524 N CB -1.606 36.815 38.487 -0.110 0.000 1.134 524 N HN 0.799 nan 8.380 nan 0.000 0.582 525 A N 0.968 123.578 122.820 -0.351 0.000 2.546 525 A HA 0.129 4.449 4.320 -0.000 0.000 0.243 525 A C 0.864 178.293 177.584 -0.259 0.000 1.063 525 A CA 0.297 52.024 52.037 -0.516 0.000 0.757 525 A CB 0.255 18.650 19.000 -1.009 0.000 0.991 525 A HN 0.198 nan 8.150 nan 0.000 0.503 526 R N 2.855 123.292 120.500 -0.106 0.000 2.419 526 R HA 0.203 4.543 4.340 -0.000 0.000 0.305 526 R C -0.804 175.572 176.300 0.127 0.000 1.242 526 R CA -0.040 56.074 56.100 0.022 0.000 1.105 526 R CB -0.030 30.309 30.300 0.066 0.000 1.116 526 R HN 0.652 nan 8.270 nan 0.000 0.523 527 L N 5.427 126.690 121.223 0.067 0.000 2.380 527 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 527 L C -1.494 175.544 176.870 0.281 0.000 1.138 527 L CA -1.811 53.121 54.840 0.155 0.000 0.832 527 L CB 0.446 42.491 42.059 -0.023 0.000 1.124 527 L HN 0.226 nan 8.230 nan 0.000 0.454 528 P HA 0.155 nan 4.420 nan 0.000 0.272 528 P C -0.780 176.749 177.300 0.382 0.000 1.223 528 P CA -0.414 62.894 63.100 0.347 0.000 0.784 528 P CB 0.638 32.547 31.700 0.349 0.000 0.923 529 R N 0.911 121.582 120.500 0.285 0.000 2.539 529 R HA 0.405 4.745 4.340 -0.000 0.000 0.275 529 R C -0.017 176.337 176.300 0.090 0.000 1.077 529 R CA -0.508 55.685 56.100 0.156 0.000 1.097 529 R CB 0.175 30.513 30.300 0.064 0.000 1.018 529 R HN 0.457 nan 8.270 nan 0.000 0.483 530 L N 3.461 124.596 121.223 -0.147 0.000 2.307 530 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 530 L C -0.695 175.958 176.870 -0.362 0.000 1.023 530 L CA -0.466 54.292 54.840 -0.138 0.000 0.810 530 L CB 0.766 42.789 42.059 -0.060 0.000 1.231 530 L HN 0.450 nan 8.230 nan 0.000 0.423 531 F N 0.640 120.591 119.950 0.001 0.000 2.603 531 F HA 0.492 5.019 4.527 -0.000 0.000 0.317 531 F C -0.004 175.867 175.800 0.118 0.000 1.066 531 F CA -0.734 57.318 58.000 0.086 0.000 0.941 531 F CB 1.804 40.859 39.000 0.091 0.000 1.291 531 F HN 0.397 nan 8.300 nan 0.000 0.472 532 H N 1.804 121.016 119.070 0.237 0.000 2.609 532 H HA 0.659 5.215 4.556 -0.000 0.000 0.344 532 H C -1.536 173.797 175.328 0.008 0.000 1.040 532 H CA -0.567 55.556 56.048 0.124 0.000 1.216 532 H CB 1.767 31.565 29.762 0.059 0.000 1.529 532 H HN 0.574 nan 8.280 nan 0.000 0.519 533 V N 2.977 122.631 119.914 -0.434 0.000 3.019 533 V HA 0.570 4.690 4.120 -0.000 0.000 0.317 533 V C -0.381 175.266 176.094 -0.744 0.000 1.094 533 V CA -0.975 60.971 62.300 -0.590 0.000 1.000 533 V CB 2.001 33.227 31.823 -0.995 0.000 1.060 533 V HN 0.768 nan 8.190 nan 0.000 0.443 534 N N 0.985 119.263 118.700 -0.705 0.000 2.594 534 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 534 N C -0.424 174.791 175.510 -0.491 0.000 1.156 534 N CA -0.660 52.068 53.050 -0.537 0.000 0.831 534 N CB 1.034 39.385 38.487 -0.228 0.000 1.379 534 N HN 0.904 nan 8.380 nan 0.000 0.536 535 W N 1.940 122.848 121.300 -0.654 0.000 2.937 535 W HA 0.174 4.834 4.660 -0.000 0.000 0.245 535 W C 0.151 176.131 176.519 -0.899 0.000 1.306 535 W CA -0.301 56.496 57.345 -0.913 0.000 1.470 535 W CB 0.142 28.733 29.460 -1.449 0.000 1.132 535 W HN 0.429 nan 8.180 nan 0.000 0.675 536 F N 0.039 119.964 119.950 -0.042 0.000 2.698 536 F HA 0.298 4.825 4.527 -0.000 0.000 0.304 536 F C 0.849 176.765 175.800 0.192 0.000 1.108 536 F CA -0.644 57.371 58.000 0.025 0.000 1.263 536 F CB -0.630 38.370 39.000 -0.000 0.000 1.013 536 F HN -0.360 nan 8.300 nan 0.000 0.532 537 L N 2.242 123.572 121.223 0.178 0.000 2.559 537 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 537 L C 0.523 177.511 176.870 0.197 0.000 1.232 537 L CA 0.634 55.535 54.840 0.101 0.000 0.885 537 L CB 0.349 42.389 42.059 -0.032 0.000 1.131 537 L HN 0.207 nan 8.230 nan 0.000 0.498 538 R N 1.382 121.934 120.500 0.087 0.000 2.778 538 R HA 0.321 4.661 4.340 -0.000 0.000 0.277 538 R C -0.849 175.443 176.300 -0.014 0.000 0.977 538 R CA -0.959 55.159 56.100 0.030 0.000 0.950 538 R CB 1.693 31.963 30.300 -0.049 0.000 1.165 538 R HN 0.625 nan 8.270 nan 0.000 0.474 539 D N 0.159 120.546 120.400 -0.022 0.000 2.440 539 D HA 0.006 4.646 4.640 -0.000 0.000 0.269 539 D C 0.516 176.792 176.300 -0.040 0.000 1.249 539 D CA -0.506 53.477 54.000 -0.029 0.000 1.055 539 D CB 0.324 41.113 40.800 -0.018 0.000 1.104 539 D HN 0.230 nan 8.370 nan 0.000 0.561 540 N N -0.750 117.929 118.700 -0.034 0.000 2.430 540 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 540 N C 0.371 175.859 175.510 -0.036 0.000 1.032 540 N CA 0.787 53.817 53.050 -0.033 0.000 0.893 540 N CB -0.117 38.356 38.487 -0.024 0.000 0.957 540 N HN 0.471 nan 8.380 nan 0.000 0.442 541 E N -1.223 118.954 120.200 -0.039 0.000 2.501 541 E HA 0.304 4.654 4.350 -0.000 0.000 0.200 541 E C 0.943 177.504 176.600 -0.064 0.000 1.016 541 E CA 0.048 56.422 56.400 -0.043 0.000 0.921 541 E CB 0.179 29.860 29.700 -0.033 0.000 1.034 541 E HN 0.265 nan 8.360 nan 0.000 0.468 542 G N 1.253 110.004 108.800 -0.082 0.000 2.176 542 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.253 542 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.253 542 G C 0.229 175.009 174.900 -0.201 0.000 0.979 542 G CA -0.092 44.929 45.100 -0.133 0.000 0.641 542 G HN 0.224 nan 8.290 nan 0.000 0.530 543 R N -0.365 120.057 120.500 -0.131 0.000 2.491 543 R HA 0.405 4.745 4.340 -0.000 0.000 0.283 543 R C -0.056 176.196 176.300 -0.080 0.000 1.072 543 R CA -0.439 55.592 56.100 -0.114 0.000 1.048 543 R CB 0.287 30.568 30.300 -0.031 0.000 0.983 543 R HN 0.082 nan 8.270 nan 0.000 0.450 544 F N 1.767 121.738 119.950 0.035 0.000 2.541 544 F HA -0.044 4.483 4.527 -0.000 0.000 0.378 544 F C 1.599 177.414 175.800 0.025 0.000 1.068 544 F CA -0.129 57.897 58.000 0.044 0.000 1.199 544 F CB 0.439 39.474 39.000 0.059 0.000 1.091 544 F HN 0.290 nan 8.300 nan 0.000 0.555 545 V N 3.902 123.958 119.914 0.236 0.000 2.548 545 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 545 V C 0.552 176.758 176.094 0.188 0.000 1.055 545 V CA 0.888 63.274 62.300 0.143 0.000 1.065 545 V CB -0.356 31.515 31.823 0.081 0.000 0.681 545 V HN 0.699 nan 8.190 nan 0.000 0.462 546 W N 2.341 123.616 121.300 -0.042 0.000 2.429 546 W HA 0.332 4.992 4.660 -0.000 0.000 0.314 546 W C -1.962 174.473 176.519 -0.140 0.000 1.062 546 W CA -2.092 55.178 57.345 -0.126 0.000 1.211 546 W CB 2.251 31.606 29.460 -0.174 0.000 1.305 546 W HN 0.107 nan 8.180 nan 0.000 0.476 547 P HA -0.001 nan 4.420 nan 0.000 0.223 547 P C 0.979 177.990 177.300 -0.481 0.000 1.151 547 P CA 1.704 64.515 63.100 -0.482 0.000 0.787 547 P CB 0.523 31.912 31.700 -0.520 0.000 0.788 548 G N -0.401 107.821 108.800 -0.963 0.000 2.601 548 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 548 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 548 G C 0.060 174.658 174.900 -0.505 0.000 1.294 548 G CA -0.144 44.485 45.100 -0.785 0.000 0.912 548 G HN 0.158 nan 8.290 nan 0.000 0.574 549 F N -1.891 117.786 119.950 -0.455 0.000 2.512 549 F HA -0.291 4.236 4.527 -0.000 0.000 0.290 549 F C 2.716 178.309 175.800 -0.346 0.000 1.459 549 F CA 2.830 60.629 58.000 -0.335 0.000 1.366 549 F CB -1.720 37.136 39.000 -0.240 0.000 3.242 549 F HN 1.671 nan 8.300 nan 0.000 0.190 550 G N -1.010 107.723 108.800 -0.113 0.000 2.462 550 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 550 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 550 G C 1.096 175.794 174.900 -0.337 0.000 1.121 550 G CA 1.311 46.261 45.100 -0.250 0.000 0.758 550 G HN 0.720 nan 8.290 nan 0.000 0.559 551 H N 0.679 119.604 119.070 -0.242 0.000 2.521 551 H HA -0.006 4.550 4.556 -0.000 0.000 0.286 551 H C 2.119 177.366 175.328 -0.134 0.000 1.034 551 H CA 0.974 56.842 56.048 -0.300 0.000 1.278 551 H CB 0.003 29.384 29.762 -0.634 0.000 1.386 551 H HN 0.263 nan 8.280 nan 0.000 0.567 552 N N 1.074 119.679 118.700 -0.157 0.000 2.443 552 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 552 N C 1.954 177.393 175.510 -0.118 0.000 1.037 552 N CA 0.820 53.715 53.050 -0.259 0.000 0.896 552 N CB -0.165 37.830 38.487 -0.820 0.000 0.959 552 N HN 0.344 nan 8.380 nan 0.000 0.442 553 A N 1.140 123.891 122.820 -0.115 0.000 2.019 553 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 553 A C 2.230 179.687 177.584 -0.211 0.000 1.164 553 A CA 1.019 52.965 52.037 -0.152 0.000 0.644 553 A CB -0.306 18.603 19.000 -0.152 0.000 0.805 553 A HN 0.245 nan 8.150 nan 0.000 0.449 554 R N -0.893 119.579 120.500 -0.048 0.000 2.092 554 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 554 R C 1.942 178.255 176.300 0.021 0.000 1.119 554 R CA 1.361 57.461 56.100 -0.000 0.000 0.970 554 R CB -0.421 30.020 30.300 0.235 0.000 0.864 554 R HN 0.391 nan 8.270 nan 0.000 0.440 555 V N 1.287 121.244 119.914 0.072 0.000 2.323 555 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 555 V C 2.252 178.406 176.094 0.100 0.000 1.041 555 V CA 1.492 63.855 62.300 0.105 0.000 1.025 555 V CB -0.394 31.526 31.823 0.162 0.000 0.656 555 V HN 0.274 nan 8.190 nan 0.000 0.451 556 L N 0.258 121.488 121.223 0.012 0.000 2.079 556 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 556 L C 2.790 179.565 176.870 -0.158 0.000 1.081 556 L CA 1.603 56.417 54.840 -0.044 0.000 0.752 556 L CB -0.965 41.075 42.059 -0.031 0.000 0.896 556 L HN 0.389 nan 8.230 nan 0.000 0.433 557 A N -0.222 122.317 122.820 -0.468 0.000 1.892 557 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 557 A C 2.018 179.527 177.584 -0.126 0.000 1.188 557 A CA 1.988 53.527 52.037 -0.830 0.000 0.631 557 A CB -1.128 17.168 19.000 -1.174 0.000 0.822 557 A HN 0.640 nan 8.150 nan 0.000 0.447 558 W N 0.527 121.746 121.300 -0.136 0.000 2.381 558 W HA -0.127 4.533 4.660 -0.000 0.000 0.301 558 W C 1.819 178.352 176.519 0.024 0.000 1.205 558 W CA 1.776 59.120 57.345 -0.002 0.000 1.285 558 W CB -0.254 29.219 29.460 0.022 0.000 1.133 558 W HN 0.307 nan 8.180 nan 0.000 0.521 559 I N -0.249 120.297 120.570 -0.041 0.000 2.163 559 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 559 I C 2.411 178.386 176.117 -0.237 0.000 1.085 559 I CA 1.666 62.720 61.300 -0.410 0.000 1.347 559 I CB -0.938 36.709 38.000 -0.589 0.000 1.044 559 I HN -0.035 nan 8.210 nan 0.000 0.408 560 F N 1.855 121.705 119.950 -0.166 0.000 2.063 560 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 560 F C 2.385 178.172 175.800 -0.022 0.000 1.109 560 F CA 1.978 59.973 58.000 -0.008 0.000 1.212 560 F CB -0.940 38.180 39.000 0.201 0.000 0.973 560 F HN 0.033 nan 8.300 nan 0.000 0.480 561 G N 0.161 109.116 108.800 0.258 0.000 2.440 561 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 561 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 561 G C 1.836 176.660 174.900 -0.127 0.000 1.154 561 G CA 0.746 45.898 45.100 0.086 0.000 0.767 561 G HN 0.194 nan 8.290 nan 0.000 0.552 562 R N 0.289 120.596 120.500 -0.322 0.000 2.081 562 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 562 R C 2.625 178.851 176.300 -0.123 0.000 1.131 562 R CA 0.775 56.691 56.100 -0.307 0.000 0.960 562 R CB -0.986 29.068 30.300 -0.410 0.000 0.856 562 R HN 0.469 nan 8.270 nan 0.000 0.436 563 I N 1.270 121.788 120.570 -0.086 0.000 2.194 563 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 563 I C 2.345 178.396 176.117 -0.111 0.000 1.093 563 I CA 1.474 62.725 61.300 -0.083 0.000 1.355 563 I CB -0.321 37.565 38.000 -0.189 0.000 1.046 563 I HN 0.228 nan 8.210 nan 0.000 0.413 564 Q N 0.200 119.923 119.800 -0.129 0.000 2.437 564 Q HA -0.052 4.288 4.340 -0.000 0.000 0.210 564 Q C 1.460 177.433 176.000 -0.044 0.000 0.972 564 Q CA 0.853 56.613 55.803 -0.071 0.000 0.903 564 Q CB 0.174 28.919 28.738 0.012 0.000 0.967 564 Q HN 0.732 nan 8.270 nan 0.000 0.486 565 G N 1.001 109.761 108.800 -0.067 0.000 2.144 565 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 565 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 565 G C -0.215 174.639 174.900 -0.077 0.000 0.988 565 G CA -0.270 44.789 45.100 -0.068 0.000 0.659 565 G HN 0.191 nan 8.290 nan 0.000 0.522 566 R N 0.084 120.535 120.500 -0.082 0.000 2.641 566 R HA 0.407 4.747 4.340 -0.000 0.000 0.269 566 R C -0.219 176.023 176.300 -0.095 0.000 1.074 566 R CA -0.169 55.894 56.100 -0.061 0.000 1.133 566 R CB 0.481 30.766 30.300 -0.024 0.000 1.029 566 R HN 0.127 nan 8.270 nan 0.000 0.488 567 D N 1.084 121.454 120.400 -0.050 0.000 2.741 567 D HA 0.029 4.669 4.640 -0.000 0.000 0.233 567 D C -0.005 176.303 176.300 0.012 0.000 1.160 567 D CA -0.047 53.925 54.000 -0.048 0.000 1.003 567 D CB 0.120 40.910 40.800 -0.016 0.000 1.064 567 D HN 0.574 nan 8.370 nan 0.000 0.503 568 T N -1.296 113.277 114.554 0.032 0.000 3.200 568 T HA 0.611 4.961 4.350 -0.000 0.000 0.284 568 T C 0.316 175.264 174.700 0.413 0.000 1.009 568 T CA -0.520 61.702 62.100 0.202 0.000 0.907 568 T CB 0.516 69.514 68.868 0.216 0.000 1.120 568 T HN 0.178 nan 8.240 nan 0.000 0.534 569 A N 2.066 125.041 122.820 0.258 0.000 2.401 569 A HA 0.880 5.199 4.320 -0.000 0.000 0.310 569 A C -0.352 177.477 177.584 0.408 0.000 1.075 569 A CA -1.392 50.889 52.037 0.407 0.000 0.746 569 A CB 1.505 20.717 19.000 0.354 0.000 1.277 569 A HN 0.605 nan 8.150 nan 0.000 0.425 570 R N 1.339 122.127 120.500 0.480 0.000 2.740 570 R HA 0.774 5.114 4.340 -0.000 0.000 0.282 570 R C -3.061 173.524 176.300 0.475 0.000 0.969 570 R CA -1.875 54.496 56.100 0.452 0.000 0.918 570 R CB 1.993 32.422 30.300 0.215 0.000 1.175 570 R HN 0.430 nan 8.270 nan 0.000 0.464 571 P HA 0.147 nan 4.420 nan 0.000 0.282 571 P C -0.829 176.485 177.300 0.022 0.000 1.249 571 P CA -0.225 62.850 63.100 -0.042 0.000 0.806 571 P CB 1.764 33.301 31.700 -0.270 0.000 0.984 572 T N -1.895 112.672 114.554 0.022 0.000 2.838 572 T HA 0.494 4.844 4.350 -0.000 0.000 0.292 572 T C -2.285 172.418 174.700 0.004 0.000 1.113 572 T CA -2.110 59.992 62.100 0.003 0.000 1.008 572 T CB 0.968 69.831 68.868 -0.008 0.000 1.259 572 T HN -0.002 nan 8.240 nan 0.000 0.520 573 P HA 0.060 nan 4.420 nan 0.000 0.221 573 P C 1.303 178.513 177.300 -0.149 0.000 1.145 573 P CA 0.791 63.834 63.100 -0.096 0.000 0.795 573 P CB -0.279 31.336 31.700 -0.142 0.000 0.775 574 I N -6.572 113.848 120.570 -0.249 0.000 4.018 574 I HA 0.521 4.691 4.170 -0.000 0.000 0.337 574 I C 0.766 176.724 176.117 -0.265 0.000 1.327 574 I CA -0.071 61.030 61.300 -0.332 0.000 1.100 574 I CB 0.330 37.937 38.000 -0.655 0.000 1.025 574 I HN -0.078 nan 8.210 nan 0.000 0.396 575 G N 0.400 108.920 108.800 -0.466 0.000 2.357 575 G HA2 0.016 3.976 3.960 -0.000 0.000 0.289 575 G HA3 0.016 3.976 3.960 -0.000 0.000 0.289 575 G C -2.001 172.580 174.900 -0.532 0.000 1.302 575 G CA -1.014 43.469 45.100 -1.028 0.000 0.936 575 G HN 0.253 nan 8.290 nan 0.000 0.513 576 W N 0.383 121.538 121.300 -0.243 0.000 2.218 576 W HA 0.502 5.162 4.660 -0.000 0.000 0.326 576 W C 0.899 177.501 176.519 0.139 0.000 1.276 576 W CA 0.193 57.603 57.345 0.108 0.000 1.210 576 W CB 1.386 30.994 29.460 0.246 0.000 1.143 576 W HN 0.626 nan 8.180 nan 0.000 0.563 577 V N 1.155 121.273 119.914 0.341 0.000 2.960 577 V HA 0.666 4.786 4.120 -0.000 0.000 0.315 577 V C -2.453 173.546 176.094 -0.159 0.000 1.087 577 V CA -3.531 58.764 62.300 -0.010 0.000 0.982 577 V CB 1.605 33.325 31.823 -0.173 0.000 1.039 577 V HN 0.300 nan 8.190 nan 0.000 0.437 578 P HA 0.190 nan 4.420 nan 0.000 0.268 578 P C -0.644 176.491 177.300 -0.274 0.000 1.204 578 P CA 0.032 62.698 63.100 -0.723 0.000 0.768 578 P CB 0.324 31.192 31.700 -1.388 0.000 0.842 579 K N 1.965 122.348 120.400 -0.029 0.000 2.355 579 K HA -0.012 4.307 4.320 -0.000 0.000 0.270 579 K C 1.502 177.970 176.600 -0.220 0.000 1.003 579 K CA -0.074 56.165 56.287 -0.080 0.000 0.957 579 K CB 0.479 32.985 32.500 0.011 0.000 0.939 579 K HN 0.502 nan 8.250 nan 0.000 0.482 580 E N 1.921 121.797 120.200 -0.540 0.000 2.097 580 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 580 E C 1.575 178.017 176.600 -0.263 0.000 1.000 580 E CA 1.473 57.424 56.400 -0.749 0.000 0.804 580 E CB -0.121 28.971 29.700 -1.013 0.000 0.740 580 E HN 0.877 nan 8.360 nan 0.000 0.454 581 G N -0.303 108.403 108.800 -0.157 0.000 2.807 581 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.207 581 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.207 581 G C 0.626 175.541 174.900 0.024 0.000 1.151 581 G CA 0.600 45.671 45.100 -0.047 0.000 0.800 581 G HN 0.237 nan 8.290 nan 0.000 0.523 582 D N -1.118 119.308 120.400 0.044 0.000 2.514 582 D HA 0.098 4.738 4.640 -0.000 0.000 0.225 582 D C -0.031 176.388 176.300 0.198 0.000 1.159 582 D CA -0.323 53.772 54.000 0.159 0.000 0.823 582 D CB 0.972 41.921 40.800 0.248 0.000 1.097 582 D HN 0.200 nan 8.370 nan 0.000 0.519 583 L N 2.139 123.415 121.223 0.089 0.000 2.272 583 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 583 L C -0.415 176.535 176.870 0.134 0.000 1.032 583 L CA -0.415 54.485 54.840 0.099 0.000 0.810 583 L CB 1.311 43.411 42.059 0.068 0.000 1.205 583 L HN -0.285 nan 8.230 nan 0.000 0.422 584 D N 5.117 125.600 120.400 0.139 0.000 2.344 584 D HA 0.133 4.773 4.640 -0.000 0.000 0.253 584 D C 0.308 176.699 176.300 0.152 0.000 1.255 584 D CA 0.275 54.351 54.000 0.127 0.000 0.894 584 D CB 0.634 41.497 40.800 0.105 0.000 1.067 584 D HN 0.640 nan 8.370 nan 0.000 0.492 585 L N 3.015 124.321 121.223 0.138 0.000 2.910 585 L HA 0.314 4.654 4.340 -0.000 0.000 0.252 585 L C 1.370 178.284 176.870 0.073 0.000 1.195 585 L CA -0.571 54.350 54.840 0.135 0.000 1.003 585 L CB 0.664 42.826 42.059 0.172 0.000 1.328 585 L HN 0.323 nan 8.230 nan 0.000 0.540 586 G N -0.450 108.392 108.800 0.070 0.000 2.340 586 G HA2 0.337 4.297 3.960 -0.000 0.000 0.245 586 G HA3 0.337 4.297 3.960 -0.000 0.000 0.245 586 G C 1.117 176.038 174.900 0.035 0.000 1.294 586 G CA 0.605 45.735 45.100 0.050 0.000 0.896 586 G HN 0.428 nan 8.290 nan 0.000 0.522 587 G N 0.395 109.207 108.800 0.019 0.000 2.179 587 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.260 587 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.260 587 G C 0.267 175.143 174.900 -0.039 0.000 0.977 587 G CA 0.402 45.504 45.100 0.004 0.000 0.641 587 G HN 0.893 nan 8.290 nan 0.000 0.533 588 L N 1.208 122.399 121.223 -0.053 0.000 2.599 588 L HA 0.455 4.795 4.340 -0.000 0.000 0.241 588 L C -0.981 175.863 176.870 -0.044 0.000 1.207 588 L CA -1.903 52.873 54.840 -0.108 0.000 0.987 588 L CB 1.326 43.283 42.059 -0.170 0.000 1.318 588 L HN -0.102 nan 8.230 nan 0.000 0.458 589 P HA 0.012 nan 4.420 nan 0.000 0.222 589 P C 1.461 178.758 177.300 -0.005 0.000 1.153 589 P CA 0.624 63.719 63.100 -0.008 0.000 0.798 589 P CB 0.465 32.160 31.700 -0.008 0.000 0.796 590 G N -0.496 108.290 108.800 -0.022 0.000 2.650 590 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 590 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 590 G C 0.286 175.185 174.900 -0.001 0.000 1.136 590 G CA 0.090 45.181 45.100 -0.014 0.000 0.789 590 G HN 0.178 nan 8.290 nan 0.000 0.536 591 V N 1.515 121.430 119.914 0.001 0.000 2.383 591 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 591 V C -0.598 175.548 176.094 0.086 0.000 1.036 591 V CA -1.087 61.237 62.300 0.041 0.000 0.889 591 V CB 1.658 33.503 31.823 0.036 0.000 0.985 591 V HN 0.229 nan 8.190 nan 0.000 0.459 592 D N 2.768 123.225 120.400 0.096 0.000 2.192 592 D HA 0.137 4.777 4.640 -0.000 0.000 0.246 592 D C 0.475 176.882 176.300 0.178 0.000 1.042 592 D CA -0.499 53.579 54.000 0.130 0.000 0.847 592 D CB 1.929 42.788 40.800 0.099 0.000 1.186 592 D HN 0.549 nan 8.370 nan 0.000 0.461 593 Y N 3.271 123.639 120.300 0.113 0.000 2.128 593 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 593 Y C 2.403 178.436 175.900 0.222 0.000 1.154 593 Y CA 2.575 60.784 58.100 0.181 0.000 1.149 593 Y CB -0.082 38.457 38.460 0.131 0.000 0.976 593 Y HN 0.453 nan 8.280 nan 0.000 0.505 594 S N -0.496 115.358 115.700 0.257 0.000 2.453 594 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 594 S C 1.784 176.397 174.600 0.022 0.000 1.005 594 S CA 1.053 59.339 58.200 0.144 0.000 0.949 594 S CB -0.509 62.805 63.200 0.190 0.000 0.774 594 S HN 0.671 nan 8.310 nan 0.000 0.510 595 Q N 0.734 120.540 119.800 0.009 0.000 2.135 595 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 595 Q C 1.971 177.877 176.000 -0.157 0.000 0.981 595 Q CA 1.561 57.337 55.803 -0.044 0.000 0.856 595 Q CB -0.392 28.341 28.738 -0.008 0.000 0.902 595 Q HN 0.611 nan 8.270 nan 0.000 0.425 596 L N -1.185 119.875 121.223 -0.272 0.000 2.418 596 L HA 0.021 4.361 4.340 -0.000 0.000 0.218 596 L C 0.210 176.450 176.870 -1.051 0.000 1.125 596 L CA 0.221 54.679 54.840 -0.637 0.000 0.835 596 L CB 0.299 41.895 42.059 -0.772 0.000 0.953 596 L HN 0.082 nan 8.230 nan 0.000 0.454 597 F N 0.530 120.273 119.950 -0.346 0.000 2.542 597 F HA 0.329 4.856 4.527 -0.000 0.000 0.323 597 F C -2.034 173.676 175.800 -0.149 0.000 1.411 597 F CA -2.205 55.617 58.000 -0.296 0.000 1.124 597 F CB 0.066 38.784 39.000 -0.471 0.000 1.331 597 F HN -0.140 nan 8.300 nan 0.000 0.560 598 P HA 0.140 nan 4.420 nan 0.000 0.269 598 P C -0.345 177.009 177.300 0.091 0.000 1.209 598 P CA -0.178 62.917 63.100 -0.007 0.000 0.776 598 P CB 1.492 33.127 31.700 -0.109 0.000 0.876 599 M N 1.794 121.471 119.600 0.128 0.000 2.542 599 M HA 0.206 4.686 4.480 -0.000 0.000 0.273 599 M C -1.016 175.418 176.300 0.223 0.000 1.296 599 M CA -0.064 55.361 55.300 0.207 0.000 0.631 599 M CB 0.306 32.989 32.600 0.137 0.000 1.747 599 M HN 0.107 nan 8.290 nan 0.000 0.378 600 E N 1.562 121.935 120.200 0.288 0.000 2.134 600 E HA 0.210 4.560 4.350 -0.000 0.000 0.278 600 E C 0.440 177.249 176.600 0.348 0.000 0.959 600 E CA -0.212 56.331 56.400 0.237 0.000 0.783 600 E CB 1.873 31.656 29.700 0.137 0.000 1.095 600 E HN 0.545 nan 8.360 nan 0.000 0.399 601 K N 2.700 123.245 120.400 0.241 0.000 2.032 601 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 601 K C 1.760 178.482 176.600 0.203 0.000 1.048 601 K CA 1.691 58.113 56.287 0.226 0.000 0.927 601 K CB -0.252 32.328 32.500 0.134 0.000 0.712 601 K HN 0.595 nan 8.250 nan 0.000 0.441 602 G N 0.675 109.561 108.800 0.143 0.000 2.440 602 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 602 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 602 G C 1.358 176.293 174.900 0.058 0.000 1.154 602 G CA 0.865 46.018 45.100 0.087 0.000 0.767 602 G HN 0.436 nan 8.290 nan 0.000 0.552 603 F N 0.098 120.012 119.950 -0.061 0.000 2.095 603 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 603 F C 2.330 177.957 175.800 -0.289 0.000 1.104 603 F CA 1.711 59.574 58.000 -0.229 0.000 1.232 603 F CB -0.173 38.604 39.000 -0.371 0.000 0.987 603 F HN 0.227 nan 8.300 nan 0.000 0.475 604 W N 0.872 122.199 121.300 0.045 0.000 2.476 604 W HA -0.001 4.659 4.660 -0.000 0.000 0.281 604 W C 2.362 178.832 176.519 -0.082 0.000 1.230 604 W CA 0.930 58.255 57.345 -0.032 0.000 1.287 604 W CB -0.386 29.144 29.460 0.117 0.000 1.108 604 W HN 0.024 nan 8.180 nan 0.000 0.567 605 E N 0.429 120.712 120.200 0.138 0.000 2.058 605 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 605 E C 1.841 178.423 176.600 -0.030 0.000 0.997 605 E CA 1.655 58.091 56.400 0.059 0.000 0.801 605 E CB -0.187 29.541 29.700 0.048 0.000 0.746 605 E HN 0.148 nan 8.360 nan 0.000 0.450 606 E N 1.214 121.335 120.200 -0.131 0.000 2.077 606 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 606 E C 1.843 178.289 176.600 -0.256 0.000 0.989 606 E CA 1.419 57.701 56.400 -0.197 0.000 0.800 606 E CB -0.058 29.490 29.700 -0.254 0.000 0.746 606 E HN 0.079 nan 8.360 nan 0.000 0.452 607 E N -0.392 119.561 120.200 -0.413 0.000 2.058 607 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 607 E C 2.022 178.575 176.600 -0.078 0.000 0.997 607 E CA 1.651 57.831 56.400 -0.366 0.000 0.801 607 E CB -0.646 28.735 29.700 -0.532 0.000 0.746 607 E HN 0.401 nan 8.360 nan 0.000 0.450 608 C N 0.241 119.565 119.300 0.040 0.000 2.429 608 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 608 C C 2.574 177.594 174.990 0.051 0.000 1.262 608 C CA 0.872 59.953 59.018 0.104 0.000 1.733 608 C CB -0.968 26.848 27.740 0.126 0.000 2.010 608 C HN 0.443 nan 8.230 nan 0.000 0.483 609 R N 0.397 120.902 120.500 0.008 0.000 2.083 609 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 609 R C 2.354 178.652 176.300 -0.004 0.000 1.137 609 R CA 1.622 57.723 56.100 0.001 0.000 0.951 609 R CB -0.420 29.869 30.300 -0.019 0.000 0.851 609 R HN 0.686 nan 8.270 nan 0.000 0.434 610 Q N 0.335 120.116 119.800 -0.033 0.000 2.084 610 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 610 Q C 2.293 178.298 176.000 0.008 0.000 0.978 610 Q CA 1.164 56.959 55.803 -0.014 0.000 0.844 610 Q CB -0.066 28.638 28.738 -0.058 0.000 0.898 610 Q HN 0.356 nan 8.270 nan 0.000 0.426 611 L N 0.049 121.256 121.223 -0.028 0.000 2.056 611 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 611 L C 2.651 179.411 176.870 -0.184 0.000 1.078 611 L CA 1.095 55.836 54.840 -0.165 0.000 0.749 611 L CB -0.348 41.648 42.059 -0.105 0.000 0.901 611 L HN 0.169 nan 8.230 nan 0.000 0.433 612 R N 0.208 120.720 120.500 0.020 0.000 2.083 612 R HA -0.237 4.103 4.340 -0.000 0.000 0.237 612 R C 2.292 178.635 176.300 0.071 0.000 1.137 612 R CA 1.923 58.085 56.100 0.103 0.000 0.951 612 R CB -0.152 30.204 30.300 0.094 0.000 0.851 612 R HN 0.354 nan 8.270 nan 0.000 0.434 613 E N -0.781 119.440 120.200 0.036 0.000 2.051 613 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 613 E C 1.792 178.404 176.600 0.021 0.000 0.991 613 E CA 1.367 57.785 56.400 0.030 0.000 0.799 613 E CB -0.260 29.456 29.700 0.027 0.000 0.748 613 E HN 0.423 nan 8.360 nan 0.000 0.449 614 Y N 0.346 120.545 120.300 -0.169 0.000 2.097 614 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 614 Y C 1.853 177.714 175.900 -0.064 0.000 1.152 614 Y CA 2.143 60.074 58.100 -0.282 0.000 1.136 614 Y CB -0.766 37.244 38.460 -0.749 0.000 0.975 614 Y HN 0.153 nan 8.280 nan 0.000 0.498 615 Y N -0.496 119.751 120.300 -0.088 0.000 2.181 615 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 615 Y C 2.743 178.617 175.900 -0.044 0.000 1.146 615 Y CA 0.445 58.493 58.100 -0.087 0.000 1.164 615 Y CB -0.791 37.649 38.460 -0.034 0.000 0.982 615 Y HN 0.258 nan 8.280 nan 0.000 0.515 616 G N -0.129 108.746 108.800 0.125 0.000 2.421 616 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 616 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 616 G C 1.489 176.393 174.900 0.006 0.000 1.171 616 G CA 0.987 46.125 45.100 0.063 0.000 0.775 616 G HN 0.231 nan 8.290 nan 0.000 0.543 617 E N 0.824 121.002 120.200 -0.037 0.000 2.072 617 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 617 E C 2.277 178.805 176.600 -0.121 0.000 0.985 617 E CA 1.106 57.466 56.400 -0.066 0.000 0.801 617 E CB -0.207 29.457 29.700 -0.060 0.000 0.750 617 E HN 0.548 nan 8.360 nan 0.000 0.452 618 N N -1.343 117.228 118.700 -0.216 0.000 2.454 618 N HA 0.071 4.811 4.740 -0.000 0.000 0.177 618 N C 1.322 176.578 175.510 -0.422 0.000 1.049 618 N CA 0.203 53.041 53.050 -0.353 0.000 0.887 618 N CB 0.094 38.241 38.487 -0.565 0.000 1.095 618 N HN -0.001 nan 8.380 nan 0.000 0.446 619 F N 0.554 120.359 119.950 -0.241 0.000 2.437 619 F HA 0.340 4.867 4.527 -0.000 0.000 0.288 619 F C 2.022 177.752 175.800 -0.116 0.000 1.085 619 F CA 0.542 58.443 58.000 -0.166 0.000 1.430 619 F CB -0.450 38.468 39.000 -0.137 0.000 1.120 619 F HN 0.024 nan 8.300 nan 0.000 0.556 620 G N 1.161 110.010 108.800 0.083 0.000 2.651 620 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.315 620 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.315 620 G C 1.379 176.301 174.900 0.038 0.000 1.258 620 G CA 0.750 45.870 45.100 0.033 0.000 1.002 620 G HN 0.628 nan 8.290 nan 0.000 0.551 621 A N -0.954 121.872 122.820 0.012 0.000 2.121 621 A HA 0.162 4.481 4.320 -0.000 0.000 0.218 621 A C 1.852 179.445 177.584 0.016 0.000 1.154 621 A CA 2.219 54.260 52.037 0.006 0.000 0.679 621 A CB -0.272 18.724 19.000 -0.007 0.000 0.795 621 A HN 0.554 nan 8.150 nan 0.000 0.458 622 D N -0.887 119.534 120.400 0.035 0.000 2.355 622 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 622 D C 0.344 176.705 176.300 0.101 0.000 1.004 622 D CA 0.084 54.118 54.000 0.058 0.000 0.880 622 D CB -0.114 40.709 40.800 0.039 0.000 0.911 622 D HN 0.380 nan 8.370 nan 0.000 0.528 623 L N 2.238 123.507 121.223 0.077 0.000 2.418 623 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 623 L C -2.252 174.564 176.870 -0.090 0.000 1.135 623 L CA -1.161 53.632 54.840 -0.079 0.000 0.870 623 L CB 0.410 42.352 42.059 -0.195 0.000 1.154 623 L HN -0.266 nan 8.230 nan 0.000 0.462 624 P HA 0.066 nan 4.420 nan 0.000 0.265 624 P C 0.012 177.269 177.300 -0.071 0.000 1.193 624 P CA -0.203 62.868 63.100 -0.050 0.000 0.765 624 P CB 0.635 32.323 31.700 -0.020 0.000 0.823 625 R N 3.560 124.039 120.500 -0.035 0.000 2.103 625 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 625 R C 1.121 177.399 176.300 -0.037 0.000 1.142 625 R CA 2.056 58.135 56.100 -0.035 0.000 0.960 625 R CB -1.251 29.040 30.300 -0.015 0.000 0.858 625 R HN 0.400 nan 8.270 nan 0.000 0.439 626 D N -0.547 119.846 120.400 -0.011 0.000 2.182 626 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 626 D C 1.847 178.141 176.300 -0.009 0.000 0.986 626 D CA 1.404 55.410 54.000 0.008 0.000 0.847 626 D CB -0.057 40.779 40.800 0.060 0.000 0.942 626 D HN 0.159 nan 8.370 nan 0.000 0.467 627 V N 0.765 120.652 119.914 -0.045 0.000 2.270 627 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 627 V C 2.345 178.377 176.094 -0.103 0.000 1.043 627 V CA 1.333 63.596 62.300 -0.062 0.000 1.014 627 V CB -0.396 31.282 31.823 -0.241 0.000 0.645 627 V HN 0.137 nan 8.190 nan 0.000 0.447 628 M N 1.121 120.630 119.600 -0.151 0.000 2.108 628 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 628 M C 2.046 178.296 176.300 -0.083 0.000 1.066 628 M CA 2.166 57.411 55.300 -0.092 0.000 1.107 628 M CB -0.896 31.661 32.600 -0.072 0.000 1.356 628 M HN 0.278 nan 8.290 nan 0.000 0.406 629 A N -0.452 122.317 122.820 -0.085 0.000 1.940 629 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 629 A C 2.041 179.530 177.584 -0.158 0.000 1.176 629 A CA 1.871 53.854 52.037 -0.089 0.000 0.631 629 A CB -0.732 18.235 19.000 -0.056 0.000 0.814 629 A HN 0.569 nan 8.150 nan 0.000 0.446 630 E N -0.586 119.473 120.200 -0.234 0.000 2.107 630 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 630 E C 1.987 178.114 176.600 -0.787 0.000 0.982 630 E CA 0.980 57.098 56.400 -0.469 0.000 0.809 630 E CB -0.527 28.878 29.700 -0.492 0.000 0.756 630 E HN 0.526 nan 8.360 nan 0.000 0.459 631 L N 1.931 122.768 121.223 -0.644 0.000 2.012 631 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 631 L C 1.922 178.705 176.870 -0.145 0.000 1.073 631 L CA 1.889 56.555 54.840 -0.290 0.000 0.748 631 L CB -0.412 41.755 42.059 0.180 0.000 0.891 631 L HN 0.033 nan 8.230 nan 0.000 0.431 632 E N -0.613 119.519 120.200 -0.113 0.000 2.085 632 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 632 E C 2.086 178.625 176.600 -0.103 0.000 0.994 632 E CA 1.042 57.396 56.400 -0.076 0.000 0.801 632 E CB -0.589 29.074 29.700 -0.062 0.000 0.743 632 E HN 0.706 nan 8.360 nan 0.000 0.453 633 G N 1.494 110.200 108.800 -0.157 0.000 2.446 633 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 633 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 633 G C 1.556 176.366 174.900 -0.150 0.000 1.168 633 G CA 0.772 45.775 45.100 -0.162 0.000 0.771 633 G HN 0.164 nan 8.290 nan 0.000 0.551 634 L N 0.692 121.810 121.223 -0.175 0.000 2.046 634 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 634 L C 2.643 179.489 176.870 -0.040 0.000 1.077 634 L CA 2.209 56.988 54.840 -0.101 0.000 0.747 634 L CB -0.731 41.298 42.059 -0.050 0.000 0.896 634 L HN 0.386 nan 8.230 nan 0.000 0.432 635 E N -0.754 119.434 120.200 -0.020 0.000 2.058 635 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 635 E C 2.086 178.681 176.600 -0.009 0.000 0.997 635 E CA 1.347 57.753 56.400 0.010 0.000 0.801 635 E CB -0.100 29.608 29.700 0.015 0.000 0.746 635 E HN 0.420 nan 8.360 nan 0.000 0.450 636 E N 0.846 121.024 120.200 -0.036 0.000 2.106 636 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 636 E C 1.863 178.435 176.600 -0.046 0.000 0.984 636 E CA 1.129 57.504 56.400 -0.041 0.000 0.806 636 E CB 0.069 29.735 29.700 -0.055 0.000 0.750 636 E HN 0.139 nan 8.360 nan 0.000 0.458 637 R N -0.538 119.924 120.500 -0.063 0.000 2.062 637 R HA -0.027 4.312 4.340 -0.000 0.000 0.229 637 R C 2.420 178.695 176.300 -0.041 0.000 1.128 637 R CA 1.326 57.385 56.100 -0.069 0.000 0.960 637 R CB -0.458 29.785 30.300 -0.094 0.000 0.855 637 R HN 0.076 nan 8.270 nan 0.000 0.432 638 V N 1.357 121.257 119.914 -0.023 0.000 2.332 638 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 638 V C 2.454 178.569 176.094 0.035 0.000 1.055 638 V CA 1.780 64.093 62.300 0.023 0.000 1.038 638 V CB -0.617 31.256 31.823 0.082 0.000 0.651 638 V HN 0.326 nan 8.190 nan 0.000 0.450 639 R N 0.151 120.664 120.500 0.021 0.000 2.200 639 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 639 R C 1.848 178.156 176.300 0.012 0.000 1.127 639 R CA 1.552 57.663 56.100 0.019 0.000 0.989 639 R CB -0.006 30.299 30.300 0.007 0.000 0.869 639 R HN 0.423 nan 8.270 nan 0.000 0.459 640 K N -0.345 120.056 120.400 0.002 0.000 2.358 640 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 640 K C 0.530 177.131 176.600 0.003 0.000 1.030 640 K CA -0.149 56.136 56.287 -0.003 0.000 1.097 640 K CB 0.544 33.032 32.500 -0.020 0.000 0.862 640 K HN 0.218 nan 8.250 nan 0.000 0.534 641 M N 0.000 119.608 119.600 0.014 0.000 2.572 641 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 641 M CA 0.000 55.314 55.300 0.024 0.000 0.988 641 M CB 0.000 32.618 32.600 0.030 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411