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 1t7p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXEY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVEXXXXX XXXXXXKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.392 176.300 0.153 0.000 1.140 1 M CA 0.000 55.321 55.300 0.034 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 I N 1.656 122.268 120.570 0.070 0.000 2.828 2 I HA 0.881 5.051 4.170 -0.001 0.000 0.302 2 I C -1.536 174.592 176.117 0.018 0.000 1.101 2 I CA -1.016 60.300 61.300 0.026 0.000 1.031 2 I CB 2.366 40.331 38.000 -0.059 0.000 1.231 2 I HN 0.408 nan 8.210 nan 0.000 0.427 3 V N 3.302 123.240 119.914 0.040 0.000 2.495 3 V HA 0.682 4.801 4.120 -0.001 0.000 0.298 3 V C -0.048 176.049 176.094 0.006 0.000 1.031 3 V CA -0.217 62.094 62.300 0.018 0.000 0.871 3 V CB 1.349 33.216 31.823 0.073 0.000 0.988 3 V HN 0.907 nan 8.190 nan 0.000 0.432 4 S N 2.613 118.255 115.700 -0.096 0.000 2.651 4 S HA 0.798 5.268 4.470 -0.001 0.000 0.279 4 S C -1.995 172.808 174.600 0.338 0.000 1.148 4 S CA -0.482 57.767 58.200 0.082 0.000 0.837 4 S CB 2.170 65.380 63.200 0.018 0.000 1.138 4 S HN 0.979 nan 8.310 nan 0.000 0.478 5 D N 0.075 120.787 120.400 0.520 0.000 2.706 5 D HA 0.507 5.146 4.640 -0.001 0.000 0.225 5 D C -1.123 175.397 176.300 0.367 0.000 1.241 5 D CA -0.489 53.825 54.000 0.523 0.000 0.784 5 D CB 1.202 42.213 40.800 0.351 0.000 1.521 5 D HN 0.710 nan 8.370 nan 0.000 0.461 6 I N -1.205 119.530 120.570 0.275 0.000 2.957 6 I HA 0.776 4.945 4.170 -0.001 0.000 0.310 6 I C -1.067 175.069 176.117 0.031 0.000 1.063 6 I CA -0.658 60.695 61.300 0.087 0.000 1.033 6 I CB 2.311 40.382 38.000 0.118 0.000 1.230 6 I HN 0.108 nan 8.210 nan 0.000 0.447 7 E N 2.973 123.101 120.200 -0.120 0.000 2.224 7 E HA 0.737 5.087 4.350 -0.001 0.000 0.265 7 E C -1.110 175.397 176.600 -0.154 0.000 0.878 7 E CA -0.717 55.650 56.400 -0.055 0.000 0.759 7 E CB 2.223 31.960 29.700 0.062 0.000 1.164 7 E HN 0.885 nan 8.360 nan 0.000 0.414 8 A N 2.337 125.081 122.820 -0.127 0.000 2.530 8 A HA 0.411 4.730 4.320 -0.001 0.000 0.288 8 A C 0.581 178.052 177.584 -0.189 0.000 1.172 8 A CA -0.694 51.188 52.037 -0.258 0.000 0.733 8 A CB 0.862 19.766 19.000 -0.161 0.000 1.320 8 A HN 0.583 nan 8.150 nan 0.000 0.419 9 N N -0.009 118.509 118.700 -0.303 0.000 2.550 9 N HA 0.307 5.046 4.740 -0.001 0.000 0.186 9 N C 0.173 175.698 175.510 0.025 0.000 1.110 9 N CA 1.265 54.335 53.050 0.034 0.000 0.912 9 N CB -0.063 38.459 38.487 0.058 0.000 0.968 9 N HN 1.305 nan 8.380 nan 0.000 0.448 10 A N -0.707 122.047 122.820 -0.111 0.000 2.483 10 A HA 0.501 4.821 4.320 -0.001 0.000 0.294 10 A C -1.047 176.475 177.584 -0.103 0.000 1.077 10 A CA -0.888 51.078 52.037 -0.120 0.000 0.633 10 A CB -0.028 18.955 19.000 -0.029 0.000 1.318 10 A HN 0.081 nan 8.150 nan 0.000 0.455 11 L N 0.664 121.830 121.223 -0.096 0.000 2.476 11 L HA 0.119 4.458 4.340 -0.001 0.000 0.264 11 L C 1.885 178.815 176.870 0.100 0.000 1.224 11 L CA -0.343 54.488 54.840 -0.015 0.000 0.821 11 L CB 0.152 42.170 42.059 -0.069 0.000 1.101 11 L HN 0.885 nan 8.230 nan 0.000 0.488 12 L N 1.258 122.597 121.223 0.193 0.000 2.051 12 L HA -0.252 4.087 4.340 -0.001 0.000 0.214 12 L C 2.252 179.093 176.870 -0.049 0.000 1.076 12 L CA 1.912 56.763 54.840 0.018 0.000 0.758 12 L CB -0.548 41.501 42.059 -0.017 0.000 0.890 12 L HN 0.635 nan 8.230 nan 0.000 0.433 13 E N -0.332 119.836 120.200 -0.054 0.000 2.130 13 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 13 E C 1.684 178.244 176.600 -0.067 0.000 0.998 13 E CA 1.578 57.925 56.400 -0.088 0.000 0.806 13 E CB -0.306 29.333 29.700 -0.103 0.000 0.738 13 E HN 0.716 nan 8.360 nan 0.000 0.459 14 S N -1.057 114.613 115.700 -0.049 0.000 2.937 14 S HA 0.234 4.703 4.470 -0.001 0.000 0.252 14 S C 0.132 174.707 174.600 -0.042 0.000 1.022 14 S CA -0.643 57.531 58.200 -0.043 0.000 1.079 14 S CB 0.205 63.384 63.200 -0.034 0.000 1.035 14 S HN 0.052 nan 8.310 nan 0.000 0.594 15 V N 3.580 123.465 119.914 -0.049 0.000 2.585 15 V HA 0.407 4.526 4.120 -0.001 0.000 0.296 15 V C 1.164 177.213 176.094 -0.074 0.000 1.035 15 V CA 1.450 63.712 62.300 -0.064 0.000 1.084 15 V CB 1.197 32.975 31.823 -0.075 0.000 0.953 15 V HN 0.751 nan 8.190 nan 0.000 0.483 16 T N 2.394 116.900 114.554 -0.081 0.000 3.130 16 T HA 0.394 4.744 4.350 -0.001 0.000 0.288 16 T C 0.164 174.806 174.700 -0.096 0.000 0.936 16 T CA -0.280 61.778 62.100 -0.071 0.000 0.897 16 T CB 0.056 68.896 68.868 -0.046 0.000 1.178 16 T HN 0.546 nan 8.240 nan 0.000 0.543 17 K N 0.896 121.197 120.400 -0.166 0.000 2.553 17 K HA 0.464 4.783 4.320 -0.001 0.000 0.250 17 K C -2.053 174.300 176.600 -0.411 0.000 0.953 17 K CA -0.741 55.400 56.287 -0.244 0.000 0.800 17 K CB 2.476 34.850 32.500 -0.209 0.000 1.243 17 K HN 0.216 nan 8.250 nan 0.000 0.435 18 F N 3.895 123.487 119.950 -0.597 0.000 2.420 18 F HA 0.240 4.766 4.527 -0.001 0.000 0.352 18 F C 0.818 176.345 175.800 -0.455 0.000 1.108 18 F CA 0.192 57.779 58.000 -0.689 0.000 1.162 18 F CB 0.516 38.716 39.000 -1.332 0.000 1.118 18 F HN 0.643 nan 8.300 nan 0.000 0.510 19 H N 4.906 123.549 119.070 -0.711 0.000 2.379 19 H HA 0.200 4.755 4.556 -0.001 0.000 0.308 19 H C 0.440 175.252 175.328 -0.860 0.000 1.047 19 H CA 1.133 56.888 56.048 -0.489 0.000 1.371 19 H CB 0.118 29.839 29.762 -0.069 0.000 1.449 19 H HN 0.675 nan 8.280 nan 0.000 0.564 20 C N -1.801 116.886 119.300 -1.021 0.000 3.275 20 C HA 0.837 5.297 4.460 -0.001 0.000 0.340 20 C C 0.171 174.736 174.990 -0.709 0.000 1.366 20 C CA -0.384 58.156 59.018 -0.796 0.000 1.227 20 C CB 1.556 29.186 27.740 -0.182 0.000 1.512 20 C HN 0.571 nan 8.230 nan 0.000 0.461 21 G N -0.264 108.420 108.800 -0.192 0.000 2.704 21 G HA2 0.754 4.713 3.960 -0.001 0.000 0.293 21 G HA3 0.754 4.713 3.960 -0.001 0.000 0.293 21 G C -2.033 173.044 174.900 0.295 0.000 1.421 21 G CA -0.543 44.509 45.100 -0.080 0.000 0.870 21 G HN 1.449 nan 8.290 nan 0.000 0.492 22 V N 0.810 120.955 119.914 0.384 0.000 2.841 22 V HA 0.626 4.746 4.120 -0.001 0.000 0.310 22 V C -0.641 175.761 176.094 0.513 0.000 1.090 22 V CA -0.611 61.967 62.300 0.464 0.000 0.930 22 V CB 1.970 33.993 31.823 0.334 0.000 1.014 22 V HN 0.684 nan 8.190 nan 0.000 0.425 23 I N 3.712 124.580 120.570 0.496 0.000 2.533 23 I HA 0.420 4.589 4.170 -0.001 0.000 0.290 23 I C -1.644 174.564 176.117 0.153 0.000 1.056 23 I CA -0.758 60.737 61.300 0.326 0.000 1.057 23 I CB 2.169 40.368 38.000 0.333 0.000 1.240 23 I HN 0.675 nan 8.210 nan 0.000 0.423 24 Y N 5.724 125.949 120.300 -0.124 0.000 2.328 24 Y HA 0.433 4.982 4.550 -0.001 0.000 0.337 24 Y C -0.824 174.882 175.900 -0.324 0.000 0.966 24 Y CA -0.532 57.301 58.100 -0.444 0.000 1.136 24 Y CB 1.108 39.129 38.460 -0.731 0.000 1.170 24 Y HN 0.447 nan 8.280 nan 0.000 0.470 25 D N 4.743 124.564 120.400 -0.964 0.000 2.303 25 D HA 0.104 4.743 4.640 -0.001 0.000 0.236 25 D C 0.069 175.865 176.300 -0.841 0.000 1.068 25 D CA -0.160 53.462 54.000 -0.629 0.000 0.830 25 D CB 0.799 41.402 40.800 -0.329 0.000 1.109 25 D HN 0.703 nan 8.370 nan 0.000 0.496 26 Y N 1.475 121.500 120.300 -0.457 0.000 2.333 26 Y HA -0.194 4.355 4.550 -0.001 0.000 0.290 26 Y C 2.572 178.363 175.900 -0.181 0.000 1.144 26 Y CA 1.446 59.398 58.100 -0.246 0.000 1.228 26 Y CB 0.048 38.478 38.460 -0.050 0.000 0.985 26 Y HN 0.436 nan 8.280 nan 0.000 0.542 27 S N -1.740 113.941 115.700 -0.033 0.000 2.436 27 S HA -0.116 4.353 4.470 -0.001 0.000 0.228 27 S C 1.762 176.320 174.600 -0.070 0.000 1.014 27 S CA 1.285 59.464 58.200 -0.034 0.000 0.950 27 S CB -0.719 62.460 63.200 -0.035 0.000 0.784 27 S HN 0.502 nan 8.310 nan 0.000 0.504 28 T N -3.086 111.382 114.554 -0.143 0.000 2.971 28 T HA 0.637 4.986 4.350 -0.001 0.000 0.252 28 T C 1.073 175.681 174.700 -0.153 0.000 1.022 28 T CA 0.533 62.556 62.100 -0.128 0.000 0.980 28 T CB -0.106 68.685 68.868 -0.128 0.000 1.044 28 T HN 1.328 nan 8.240 nan 0.000 0.501 29 A N 0.729 123.380 122.820 -0.283 0.000 2.869 29 A HA -0.148 4.171 4.320 -0.001 0.000 0.280 29 A C 0.045 177.530 177.584 -0.165 0.000 1.458 29 A CA 1.164 53.055 52.037 -0.244 0.000 0.776 29 A CB -2.411 16.586 19.000 -0.004 0.000 1.028 29 A HN 0.748 nan 8.150 nan 0.000 0.547 30 E N -1.950 118.046 120.200 -0.340 0.000 2.369 30 E HA 0.650 5.000 4.350 -0.001 0.000 0.270 30 E C -1.129 175.365 176.600 -0.177 0.000 0.909 30 E CA -0.838 55.497 56.400 -0.108 0.000 0.775 30 E CB 1.261 30.938 29.700 -0.039 0.000 1.270 30 E HN 0.372 nan 8.360 nan 0.000 0.445 31 Y N 0.167 120.506 120.300 0.063 0.000 2.342 31 Y HA 0.423 4.972 4.550 -0.001 0.000 0.334 31 Y C -0.181 175.736 175.900 0.028 0.000 1.067 31 Y CA -0.633 57.525 58.100 0.097 0.000 1.128 31 Y CB 1.489 40.019 38.460 0.116 0.000 1.200 31 Y HN 0.130 nan 8.280 nan 0.000 0.464 32 V N 2.705 122.722 119.914 0.170 0.000 2.531 32 V HA 0.400 4.520 4.120 -0.001 0.000 0.301 32 V C -0.540 175.518 176.094 -0.060 0.000 1.034 32 V CA -0.880 61.413 62.300 -0.011 0.000 0.865 32 V CB 1.850 33.623 31.823 -0.083 0.000 0.995 32 V HN 0.805 nan 8.190 nan 0.000 0.424 33 S N 3.631 119.236 115.700 -0.159 0.000 2.578 33 S HA 0.770 5.240 4.470 -0.001 0.000 0.283 33 S C -1.258 173.150 174.600 -0.320 0.000 1.195 33 S CA -0.354 57.800 58.200 -0.076 0.000 1.050 33 S CB 0.913 64.127 63.200 0.022 0.000 1.012 33 S HN 0.558 nan 8.310 nan 0.000 0.511 34 Y N 0.976 121.365 120.300 0.150 0.000 2.329 34 Y HA 0.448 4.997 4.550 -0.001 0.000 0.328 34 Y C 0.574 176.500 175.900 0.043 0.000 0.992 34 Y CA -0.832 57.366 58.100 0.162 0.000 1.151 34 Y CB 1.107 39.755 38.460 0.313 0.000 1.150 34 Y HN 0.459 nan 8.280 nan 0.000 0.450 35 R N 3.796 124.340 120.500 0.073 0.000 2.531 35 R HA 0.289 4.628 4.340 -0.001 0.000 0.260 35 R C -1.473 174.732 176.300 -0.159 0.000 1.144 35 R CA -1.821 54.118 56.100 -0.269 0.000 1.171 35 R CB 0.249 30.379 30.300 -0.284 0.000 1.199 35 R HN 0.329 nan 8.270 nan 0.000 0.594 36 P HA -0.223 nan 4.420 nan 0.000 0.217 36 P C 0.685 178.058 177.300 0.123 0.000 1.151 36 P CA 1.765 64.820 63.100 -0.074 0.000 0.849 36 P CB 0.042 31.663 31.700 -0.131 0.000 0.787 37 S N -1.976 113.768 115.700 0.073 0.000 2.603 37 S HA 0.020 4.490 4.470 -0.001 0.000 0.220 37 S C 1.061 175.753 174.600 0.153 0.000 0.967 37 S CA 0.189 58.455 58.200 0.111 0.000 0.920 37 S CB -0.602 62.642 63.200 0.072 0.000 0.773 37 S HN 0.062 nan 8.310 nan 0.000 0.529 38 D N 0.534 121.066 120.400 0.221 0.000 2.388 38 D HA 0.231 4.871 4.640 -0.001 0.000 0.221 38 D C 0.717 177.212 176.300 0.326 0.000 1.133 38 D CA -0.232 53.940 54.000 0.288 0.000 0.831 38 D CB -0.101 40.924 40.800 0.374 0.000 0.962 38 D HN 0.283 nan 8.370 nan 0.000 0.502 39 F N 2.460 122.421 119.950 0.019 0.000 2.069 39 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 39 F C 2.223 177.837 175.800 -0.310 0.000 1.113 39 F CA 1.680 59.447 58.000 -0.389 0.000 1.214 39 F CB -0.735 38.007 39.000 -0.430 0.000 0.978 39 F HN 0.045 nan 8.300 nan 0.000 0.474 40 G N -0.452 108.209 108.800 -0.232 0.000 2.440 40 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 40 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 40 G C 1.858 176.627 174.900 -0.217 0.000 1.154 40 G CA 1.142 46.046 45.100 -0.325 0.000 0.767 40 G HN 0.637 nan 8.290 nan 0.000 0.552 41 A N -0.137 122.654 122.820 -0.049 0.000 1.933 41 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 41 A C 2.195 179.720 177.584 -0.099 0.000 1.175 41 A CA 1.712 53.770 52.037 0.035 0.000 0.628 41 A CB -0.642 18.498 19.000 0.233 0.000 0.814 41 A HN 0.493 nan 8.150 nan 0.000 0.444 42 Y N 0.607 120.665 120.300 -0.404 0.000 2.145 42 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 42 Y C 1.950 177.534 175.900 -0.527 0.000 1.145 42 Y CA 1.875 59.464 58.100 -0.852 0.000 1.148 42 Y CB -0.390 37.672 38.460 -0.664 0.000 0.981 42 Y HN 0.208 nan 8.280 nan 0.000 0.507 43 L N -0.089 120.778 121.223 -0.593 0.000 2.042 43 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 43 L C 2.132 178.793 176.870 -0.349 0.000 1.076 43 L CA 1.589 56.013 54.840 -0.693 0.000 0.749 43 L CB -0.679 40.847 42.059 -0.889 0.000 0.893 43 L HN 0.225 nan 8.230 nan 0.000 0.432 44 D N 0.278 120.516 120.400 -0.270 0.000 2.123 44 D HA -0.175 4.464 4.640 -0.001 0.000 0.196 44 D C 2.242 178.467 176.300 -0.125 0.000 0.992 44 D CA 1.565 55.483 54.000 -0.138 0.000 0.833 44 D CB -0.103 40.639 40.800 -0.096 0.000 0.954 44 D HN 0.318 nan 8.370 nan 0.000 0.455 45 A N 0.689 123.394 122.820 -0.191 0.000 1.940 45 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 45 A C 2.396 179.880 177.584 -0.167 0.000 1.176 45 A CA 0.966 52.910 52.037 -0.155 0.000 0.631 45 A CB -0.704 18.198 19.000 -0.163 0.000 0.814 45 A HN 0.218 nan 8.150 nan 0.000 0.446 46 L N -1.049 120.030 121.223 -0.240 0.000 2.072 46 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 46 L C 2.519 179.381 176.870 -0.014 0.000 1.079 46 L CA 1.507 56.279 54.840 -0.113 0.000 0.752 46 L CB -0.665 41.379 42.059 -0.025 0.000 0.906 46 L HN 0.462 nan 8.230 nan 0.000 0.436 47 E N 0.343 120.557 120.200 0.024 0.000 2.150 47 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 47 E C 2.295 178.877 176.600 -0.029 0.000 0.985 47 E CA 0.946 57.346 56.400 -0.001 0.000 0.814 47 E CB -0.078 29.638 29.700 0.027 0.000 0.752 47 E HN 0.468 nan 8.360 nan 0.000 0.466 48 A N 1.389 124.188 122.820 -0.034 0.000 1.933 48 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 48 A C 2.067 179.634 177.584 -0.029 0.000 1.175 48 A CA 1.683 53.702 52.037 -0.030 0.000 0.628 48 A CB -0.315 18.667 19.000 -0.031 0.000 0.814 48 A HN 0.135 nan 8.150 nan 0.000 0.444 49 E N -0.029 120.149 120.200 -0.037 0.000 2.072 49 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 49 E C 1.756 178.342 176.600 -0.024 0.000 0.985 49 E CA 1.508 57.889 56.400 -0.032 0.000 0.801 49 E CB -0.373 29.300 29.700 -0.046 0.000 0.750 49 E HN 0.243 nan 8.360 nan 0.000 0.452 50 V N 0.846 120.737 119.914 -0.039 0.000 2.427 50 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 50 V C 2.360 178.437 176.094 -0.028 0.000 1.051 50 V CA 1.667 63.934 62.300 -0.055 0.000 1.048 50 V CB -0.903 30.863 31.823 -0.094 0.000 0.666 50 V HN 0.444 nan 8.190 nan 0.000 0.456 51 A N 0.018 122.825 122.820 -0.022 0.000 2.019 51 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 51 A C 2.268 179.859 177.584 0.011 0.000 1.164 51 A CA 1.407 53.438 52.037 -0.009 0.000 0.644 51 A CB -0.425 18.566 19.000 -0.015 0.000 0.805 51 A HN 0.549 nan 8.150 nan 0.000 0.449 52 R N -1.318 119.190 120.500 0.014 0.000 2.310 52 R HA 0.209 4.548 4.340 -0.001 0.000 0.202 52 R C 1.104 177.438 176.300 0.058 0.000 0.933 52 R CA 0.458 56.571 56.100 0.022 0.000 1.054 52 R CB -0.075 30.230 30.300 0.008 0.000 0.985 52 R HN 0.631 nan 8.270 nan 0.000 0.489 53 G N 0.772 109.636 108.800 0.106 0.000 2.198 53 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.257 53 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.257 53 G C 0.346 175.409 174.900 0.273 0.000 1.042 53 G CA 0.047 45.305 45.100 0.264 0.000 0.791 53 G HN 0.535 nan 8.290 nan 0.000 0.502 54 G N -1.312 107.565 108.800 0.129 0.000 2.543 54 G HA2 0.760 4.719 3.960 -0.001 0.000 0.267 54 G HA3 0.760 4.719 3.960 -0.001 0.000 0.267 54 G C -0.167 174.758 174.900 0.041 0.000 1.406 54 G CA -0.919 44.221 45.100 0.068 0.000 1.048 54 G HN 0.739 nan 8.290 nan 0.000 0.548 55 L N -0.572 120.629 121.223 -0.035 0.000 2.388 55 L HA 0.548 4.888 4.340 -0.001 0.000 0.264 55 L C -0.813 176.000 176.870 -0.095 0.000 0.998 55 L CA -0.597 54.184 54.840 -0.099 0.000 0.817 55 L CB 2.555 44.468 42.059 -0.244 0.000 1.338 55 L HN 0.283 nan 8.230 nan 0.000 0.414 56 I N 2.470 122.987 120.570 -0.088 0.000 2.436 56 I HA 0.444 4.614 4.170 -0.001 0.000 0.289 56 I C -0.810 175.224 176.117 -0.138 0.000 1.010 56 I CA -0.858 60.363 61.300 -0.131 0.000 1.098 56 I CB 2.123 40.066 38.000 -0.094 0.000 1.266 56 I HN 0.151 nan 8.210 nan 0.000 0.434 57 V N 6.569 126.359 119.914 -0.206 0.000 2.417 57 V HA 0.512 4.631 4.120 -0.001 0.000 0.291 57 V C -0.557 175.436 176.094 -0.168 0.000 1.024 57 V CA -0.454 61.795 62.300 -0.085 0.000 0.861 57 V CB 1.406 33.231 31.823 0.002 0.000 0.985 57 V HN 0.406 nan 8.190 nan 0.000 0.436 58 F N 1.626 121.706 119.950 0.216 0.000 2.640 58 F HA 0.552 5.078 4.527 -0.001 0.000 0.324 58 F C -0.173 175.768 175.800 0.236 0.000 1.077 58 F CA -0.969 57.174 58.000 0.238 0.000 0.965 58 F CB 1.825 40.980 39.000 0.257 0.000 1.351 58 F HN 0.550 nan 8.300 nan 0.000 0.487 59 H N 1.373 120.671 119.070 0.379 0.000 2.718 59 H HA 0.324 4.880 4.556 -0.001 0.000 0.295 59 H C -0.096 175.357 175.328 0.209 0.000 1.051 59 H CA -0.514 55.674 56.048 0.234 0.000 1.260 59 H CB 0.312 30.183 29.762 0.183 0.000 1.403 59 H HN 0.554 nan 8.280 nan 0.000 0.488 60 N N 2.415 121.062 118.700 -0.088 0.000 2.862 60 N HA -0.139 4.600 4.740 -0.001 0.000 0.248 60 N C 1.167 176.730 175.510 0.089 0.000 1.116 60 N CA 1.018 54.040 53.050 -0.046 0.000 0.727 60 N CB -1.165 37.276 38.487 -0.076 0.000 1.083 60 N HN 0.845 nan 8.380 nan 0.000 0.555 61 G N -1.031 107.872 108.800 0.172 0.000 2.421 61 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 61 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 61 G C 1.139 176.110 174.900 0.118 0.000 1.143 61 G CA 1.013 46.141 45.100 0.047 0.000 0.784 61 G HN 0.561 nan 8.290 nan 0.000 0.541 62 H N 0.635 119.739 119.070 0.056 0.000 2.352 62 H HA 0.037 4.592 4.556 -0.001 0.000 0.299 62 H C 2.457 177.676 175.328 -0.181 0.000 1.097 62 H CA 1.371 57.402 56.048 -0.028 0.000 1.311 62 H CB 0.054 29.880 29.762 0.107 0.000 1.377 62 H HN 0.330 nan 8.280 nan 0.000 0.504 63 K N -1.630 118.796 120.400 0.044 0.000 2.262 63 K HA -0.024 4.295 4.320 -0.001 0.000 0.200 63 K C 1.256 177.860 176.600 0.007 0.000 1.049 63 K CA 0.613 56.895 56.287 -0.008 0.000 0.979 63 K CB 0.402 32.925 32.500 0.038 0.000 0.773 63 K HN 0.221 nan 8.250 nan 0.000 0.474 64 Y N 1.020 121.248 120.300 -0.120 0.000 2.891 64 Y HA 0.021 4.571 4.550 -0.001 0.000 0.228 64 Y C 1.099 176.886 175.900 -0.189 0.000 1.000 64 Y CA 0.674 58.688 58.100 -0.144 0.000 1.491 64 Y CB 0.031 38.417 38.460 -0.124 0.000 1.394 64 Y HN -0.103 nan 8.280 nan 0.000 0.477 65 D N 0.364 120.588 120.400 -0.292 0.000 2.126 65 D HA -0.230 4.409 4.640 -0.001 0.000 0.190 65 D C 2.234 178.249 176.300 -0.475 0.000 1.001 65 D CA 2.579 56.273 54.000 -0.510 0.000 0.841 65 D CB -0.534 39.739 40.800 -0.878 0.000 0.949 65 D HN 0.237 nan 8.370 nan 0.000 0.446 66 V N 0.986 120.653 119.914 -0.413 0.000 2.233 66 V HA -0.196 3.924 4.120 -0.001 0.000 0.247 66 V C -0.699 175.286 176.094 -0.182 0.000 1.050 66 V CA 1.984 64.171 62.300 -0.187 0.000 1.010 66 V CB -1.466 30.283 31.823 -0.123 0.000 0.637 66 V HN 0.196 nan 8.190 nan 0.000 0.444 67 P HA -0.090 nan 4.420 nan 0.000 0.218 67 P C 1.650 178.807 177.300 -0.239 0.000 1.149 67 P CA 1.791 64.736 63.100 -0.258 0.000 0.817 67 P CB -0.149 31.375 31.700 -0.294 0.000 0.785 68 A N -0.385 122.212 122.820 -0.372 0.000 1.902 68 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 68 A C 2.170 179.638 177.584 -0.193 0.000 1.181 68 A CA 1.470 53.263 52.037 -0.407 0.000 0.623 68 A CB -1.688 16.822 19.000 -0.816 0.000 0.818 68 A HN 0.119 nan 8.150 nan 0.000 0.443 69 L N -0.835 120.325 121.223 -0.104 0.000 2.131 69 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 69 L C 2.741 179.653 176.870 0.070 0.000 1.092 69 L CA 1.639 56.499 54.840 0.034 0.000 0.759 69 L CB -0.769 41.348 42.059 0.097 0.000 0.903 69 L HN 0.340 nan 8.230 nan 0.000 0.435 70 T N -0.644 113.956 114.554 0.077 0.000 2.777 70 T HA -0.214 4.136 4.350 -0.001 0.000 0.266 70 T C 1.924 176.601 174.700 -0.038 0.000 1.040 70 T CA 1.405 63.505 62.100 -0.001 0.000 1.141 70 T CB -0.032 68.782 68.868 -0.090 0.000 0.868 70 T HN 0.248 nan 8.240 nan 0.000 0.444 71 K N 0.775 121.146 120.400 -0.047 0.000 2.002 71 K HA 0.004 4.324 4.320 -0.001 0.000 0.209 71 K C 2.223 178.816 176.600 -0.012 0.000 1.048 71 K CA 1.136 57.397 56.287 -0.043 0.000 0.930 71 K CB -0.289 32.164 32.500 -0.078 0.000 0.714 71 K HN 0.260 nan 8.250 nan 0.000 0.438 72 L N 0.496 121.724 121.223 0.008 0.000 2.141 72 L HA -0.114 4.226 4.340 -0.001 0.000 0.209 72 L C 2.630 179.639 176.870 0.232 0.000 1.094 72 L CA 1.027 55.912 54.840 0.076 0.000 0.763 72 L CB -0.516 41.541 42.059 -0.004 0.000 0.908 72 L HN 0.314 nan 8.230 nan 0.000 0.437 73 A N 0.347 123.253 122.820 0.145 0.000 1.933 73 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 73 A C 2.324 179.886 177.584 -0.036 0.000 1.175 73 A CA 2.038 54.033 52.037 -0.070 0.000 0.628 73 A CB -0.334 18.533 19.000 -0.222 0.000 0.814 73 A HN 0.255 nan 8.150 nan 0.000 0.444 74 K N -0.015 120.379 120.400 -0.010 0.000 2.062 74 K HA 0.083 4.402 4.320 -0.001 0.000 0.205 74 K C 1.735 178.341 176.600 0.011 0.000 1.051 74 K CA 1.202 57.487 56.287 -0.004 0.000 0.941 74 K CB -0.455 32.046 32.500 0.001 0.000 0.719 74 K HN 0.450 nan 8.250 nan 0.000 0.440 75 L N 0.186 121.423 121.223 0.024 0.000 2.044 75 L HA -0.142 4.197 4.340 -0.001 0.000 0.205 75 L C 2.543 179.435 176.870 0.037 0.000 1.075 75 L CA 1.469 56.322 54.840 0.022 0.000 0.747 75 L CB -0.417 41.649 42.059 0.011 0.000 0.903 75 L HN 0.270 nan 8.230 nan 0.000 0.435 76 Q N -0.503 119.344 119.800 0.078 0.000 2.204 76 Q HA 0.025 4.364 4.340 -0.001 0.000 0.198 76 Q C 1.965 178.012 176.000 0.079 0.000 0.946 76 Q CA 0.912 56.776 55.803 0.102 0.000 0.859 76 Q CB 0.314 29.164 28.738 0.188 0.000 0.946 76 Q HN 0.485 nan 8.270 nan 0.000 0.474 77 L N -0.455 120.793 121.223 0.042 0.000 2.701 77 L HA 0.218 4.558 4.340 -0.001 0.000 0.238 77 L C 0.070 176.918 176.870 -0.037 0.000 1.106 77 L CA -0.313 54.510 54.840 -0.029 0.000 0.898 77 L CB 0.346 42.317 42.059 -0.145 0.000 1.188 77 L HN 0.181 nan 8.230 nan 0.000 0.508 78 N N 1.858 120.545 118.700 -0.021 0.000 2.746 78 N HA -0.212 4.527 4.740 -0.001 0.000 0.250 78 N C -0.154 175.338 175.510 -0.030 0.000 1.055 78 N CA 0.520 53.561 53.050 -0.016 0.000 0.699 78 N CB -0.529 37.953 38.487 -0.009 0.000 0.919 78 N HN 0.374 nan 8.380 nan 0.000 0.548 79 R N 0.323 120.794 120.500 -0.048 0.000 2.750 79 R HA 0.326 4.665 4.340 -0.001 0.000 0.281 79 R C -0.987 175.293 176.300 -0.034 0.000 0.972 79 R CA -0.592 55.475 56.100 -0.055 0.000 0.912 79 R CB 0.922 31.150 30.300 -0.120 0.000 1.187 79 R HN 0.041 nan 8.270 nan 0.000 0.464 80 E N 3.776 123.976 120.200 -0.000 0.000 2.046 80 E HA 0.144 4.493 4.350 -0.001 0.000 0.279 80 E C -1.324 175.257 176.600 -0.030 0.000 0.989 80 E CA -0.167 56.244 56.400 0.017 0.000 0.798 80 E CB 0.756 30.539 29.700 0.137 0.000 1.086 80 E HN 0.323 nan 8.360 nan 0.000 0.399 81 F N 4.164 123.847 119.950 -0.446 0.000 2.449 81 F HA 0.289 4.815 4.527 -0.001 0.000 0.342 81 F C -0.554 174.856 175.800 -0.649 0.000 1.127 81 F CA -0.594 57.172 58.000 -0.389 0.000 0.975 81 F CB 0.827 39.645 39.000 -0.304 0.000 1.146 81 F HN 0.296 nan 8.300 nan 0.000 0.444 82 H N 7.986 126.744 119.070 -0.520 0.000 2.974 82 H HA 0.252 4.808 4.556 -0.001 0.000 0.285 82 H C -0.715 174.357 175.328 -0.427 0.000 1.227 82 H CA -0.547 55.285 56.048 -0.360 0.000 1.569 82 H CB 1.251 30.912 29.762 -0.169 0.000 1.648 82 H HN 0.524 nan 8.280 nan 0.000 0.521 83 L N 4.103 125.084 121.223 -0.404 0.000 2.455 83 L HA 0.146 4.485 4.340 -0.001 0.000 0.272 83 L C -1.848 174.992 176.870 -0.050 0.000 1.174 83 L CA -1.499 53.200 54.840 -0.235 0.000 0.869 83 L CB 0.125 42.148 42.059 -0.060 0.000 1.130 83 L HN 0.191 nan 8.230 nan 0.000 0.474 84 P HA 0.089 nan 4.420 nan 0.000 0.271 84 P C 0.314 177.300 177.300 -0.524 0.000 1.216 84 P CA -0.459 62.473 63.100 -0.280 0.000 0.776 84 P CB 0.648 32.166 31.700 -0.303 0.000 0.881 85 R N 3.585 123.508 120.500 -0.962 0.000 2.103 85 R HA -0.194 4.145 4.340 -0.001 0.000 0.242 85 R C 1.602 177.424 176.300 -0.797 0.000 1.142 85 R CA 1.845 56.934 56.100 -1.686 0.000 0.960 85 R CB -0.289 28.904 30.300 -1.844 0.000 0.858 85 R HN 0.596 nan 8.270 nan 0.000 0.439 86 E N -0.078 119.792 120.200 -0.551 0.000 2.338 86 E HA -0.171 4.178 4.350 -0.001 0.000 0.197 86 E C 0.389 176.976 176.600 -0.022 0.000 1.007 86 E CA 1.337 57.582 56.400 -0.259 0.000 0.849 86 E CB -0.354 29.172 29.700 -0.289 0.000 0.774 86 E HN 0.482 nan 8.360 nan 0.000 0.506 87 N N -0.430 118.138 118.700 -0.220 0.000 2.280 87 N HA 0.105 4.844 4.740 -0.001 0.000 0.192 87 N C -0.699 174.823 175.510 0.020 0.000 1.109 87 N CA -0.065 52.906 53.050 -0.133 0.000 0.855 87 N CB 0.565 38.925 38.487 -0.212 0.000 0.974 87 N HN 0.083 nan 8.380 nan 0.000 0.482 88 C N 0.846 120.220 119.300 0.123 0.000 2.376 88 C HA 0.580 5.039 4.460 -0.001 0.000 0.335 88 C C 0.116 175.388 174.990 0.471 0.000 1.229 88 C CA -1.034 58.178 59.018 0.322 0.000 1.867 88 C CB 0.215 28.241 27.740 0.476 0.000 2.319 88 C HN 0.245 nan 8.230 nan 0.000 0.515 89 I N 2.225 123.019 120.570 0.375 0.000 2.608 89 I HA 0.366 4.536 4.170 -0.001 0.000 0.295 89 I C -0.947 175.412 176.117 0.403 0.000 1.049 89 I CA -0.021 61.467 61.300 0.313 0.000 1.063 89 I CB 1.854 39.798 38.000 -0.094 0.000 1.248 89 I HN 0.562 nan 8.210 nan 0.000 0.424 90 D N 3.496 124.144 120.400 0.414 0.000 2.505 90 D HA 0.173 4.812 4.640 -0.001 0.000 0.250 90 D C 0.933 177.319 176.300 0.143 0.000 1.164 90 D CA -0.273 53.803 54.000 0.126 0.000 0.870 90 D CB 1.899 42.514 40.800 -0.308 0.000 1.160 90 D HN 0.695 nan 8.370 nan 0.000 0.549 91 T N 1.313 115.990 114.554 0.204 0.000 2.881 91 T HA -0.172 4.177 4.350 -0.001 0.000 0.270 91 T C 1.866 176.681 174.700 0.191 0.000 1.068 91 T CA 0.417 62.665 62.100 0.247 0.000 1.131 91 T CB 0.066 69.142 68.868 0.346 0.000 0.871 91 T HN 0.297 nan 8.240 nan 0.000 0.479 92 L N 1.242 122.450 121.223 -0.024 0.000 2.072 92 L HA 0.148 4.487 4.340 -0.001 0.000 0.205 92 L C 2.570 179.410 176.870 -0.051 0.000 1.079 92 L CA 1.186 55.947 54.840 -0.133 0.000 0.752 92 L CB -0.686 41.114 42.059 -0.433 0.000 0.906 92 L HN 0.142 nan 8.230 nan 0.000 0.436 93 V N -0.466 119.379 119.914 -0.115 0.000 2.343 93 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 93 V C 2.574 178.619 176.094 -0.081 0.000 1.051 93 V CA 1.927 64.132 62.300 -0.159 0.000 1.036 93 V CB -0.530 31.043 31.823 -0.417 0.000 0.654 93 V HN 0.407 nan 8.190 nan 0.000 0.451 94 L N -0.228 120.993 121.223 -0.003 0.000 2.046 94 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 94 L C 2.613 179.502 176.870 0.032 0.000 1.077 94 L CA 1.702 56.594 54.840 0.086 0.000 0.747 94 L CB -0.394 41.794 42.059 0.216 0.000 0.896 94 L HN 0.356 nan 8.230 nan 0.000 0.432 95 S N -0.535 115.224 115.700 0.099 0.000 2.383 95 S HA -0.140 4.329 4.470 -0.001 0.000 0.227 95 S C 1.921 176.587 174.600 0.109 0.000 1.026 95 S CA 0.996 59.298 58.200 0.169 0.000 0.981 95 S CB -0.194 63.160 63.200 0.257 0.000 0.818 95 S HN 0.382 nan 8.310 nan 0.000 0.472 96 R N 0.297 120.833 120.500 0.060 0.000 2.189 96 R HA 0.058 4.397 4.340 -0.001 0.000 0.223 96 R C 2.142 178.447 176.300 0.008 0.000 1.092 96 R CA 0.643 56.769 56.100 0.043 0.000 0.989 96 R CB -0.271 30.047 30.300 0.031 0.000 0.876 96 R HN 0.295 nan 8.270 nan 0.000 0.457 97 L N 0.396 121.595 121.223 -0.041 0.000 2.071 97 L HA 0.044 4.383 4.340 -0.001 0.000 0.201 97 L C 1.854 178.596 176.870 -0.214 0.000 1.076 97 L CA 1.489 56.278 54.840 -0.085 0.000 0.755 97 L CB -0.233 41.768 42.059 -0.096 0.000 0.915 97 L HN 0.005 nan 8.230 nan 0.000 0.445 98 I N -0.243 120.089 120.570 -0.397 0.000 2.226 98 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 98 I C 0.874 176.729 176.117 -0.437 0.000 1.100 98 I CA 0.933 61.876 61.300 -0.594 0.000 1.374 98 I CB -0.392 37.187 38.000 -0.702 0.000 1.057 98 I HN 0.314 nan 8.210 nan 0.000 0.413 99 H N 0.573 119.595 119.070 -0.080 0.000 2.579 99 H HA 0.210 4.766 4.556 -0.001 0.000 0.289 99 H C 1.717 177.017 175.328 -0.046 0.000 1.270 99 H CA 0.225 56.241 56.048 -0.053 0.000 1.060 99 H CB 0.160 29.909 29.762 -0.021 0.000 1.554 99 H HN 0.280 nan 8.280 nan 0.000 0.515 100 S N 0.645 116.354 115.700 0.015 0.000 2.442 100 S HA -0.193 4.277 4.470 -0.001 0.000 0.236 100 S C 1.745 176.354 174.600 0.015 0.000 1.007 100 S CA 1.027 59.240 58.200 0.023 0.000 0.965 100 S CB -0.033 63.182 63.200 0.026 0.000 0.773 100 S HN 0.564 nan 8.310 nan 0.000 0.504 101 N N 1.707 120.387 118.700 -0.033 0.000 2.457 101 N HA 0.048 4.787 4.740 -0.001 0.000 0.180 101 N C 0.474 175.937 175.510 -0.079 0.000 1.050 101 N CA 0.251 53.230 53.050 -0.119 0.000 0.906 101 N CB -0.441 37.774 38.487 -0.455 0.000 0.968 101 N HN 0.443 nan 8.380 nan 0.000 0.445 102 L N 0.373 121.581 121.223 -0.026 0.000 2.352 102 L HA 0.375 4.714 4.340 -0.001 0.000 0.269 102 L C 0.665 177.545 176.870 0.017 0.000 1.034 102 L CA -0.961 53.871 54.840 -0.012 0.000 0.806 102 L CB 1.174 43.222 42.059 -0.019 0.000 1.244 102 L HN -0.146 nan 8.230 nan 0.000 0.447 103 K N 1.152 121.564 120.400 0.019 0.000 2.179 103 K HA 0.463 4.783 4.320 -0.001 0.000 0.238 103 K C -0.956 175.678 176.600 0.056 0.000 1.033 103 K CA -0.463 55.846 56.287 0.037 0.000 0.926 103 K CB 1.189 33.711 32.500 0.037 0.000 1.151 103 K HN 0.792 nan 8.250 nan 0.000 0.492 104 D N -3.556 116.887 120.400 0.072 0.000 2.623 104 D HA 0.059 4.698 4.640 -0.001 0.000 0.241 104 D C 0.004 176.363 176.300 0.099 0.000 1.241 104 D CA -0.713 53.345 54.000 0.097 0.000 0.788 104 D CB 0.732 41.594 40.800 0.103 0.000 1.413 104 D HN 0.366 nan 8.370 nan 0.000 0.429 105 T N -2.281 112.335 114.554 0.105 0.000 3.252 105 T HA 0.102 4.452 4.350 -0.001 0.000 0.250 105 T C 0.504 175.259 174.700 0.091 0.000 1.123 105 T CA 0.407 62.562 62.100 0.091 0.000 1.006 105 T CB -0.639 68.263 68.868 0.057 0.000 0.992 105 T HN 0.630 nan 8.240 nan 0.000 0.547 106 D N 1.503 121.960 120.400 0.096 0.000 2.697 106 D HA -0.216 4.423 4.640 -0.001 0.000 0.235 106 D C 0.185 176.527 176.300 0.070 0.000 1.167 106 D CA 0.416 54.478 54.000 0.103 0.000 0.656 106 D CB -1.587 39.318 40.800 0.175 0.000 1.025 106 D HN 0.448 nan 8.370 nan 0.000 0.419 107 M N -1.170 118.462 119.600 0.052 0.000 2.297 107 M HA -0.176 4.303 4.480 -0.001 0.000 0.200 107 M C 1.430 177.722 176.300 -0.013 0.000 0.414 107 M CA 1.589 56.903 55.300 0.024 0.000 0.449 107 M CB -2.305 30.294 32.600 -0.002 0.000 1.436 107 M HN 1.103 nan 8.290 nan 0.000 0.912 108 G N -0.932 107.860 108.800 -0.012 0.000 2.184 108 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.264 108 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.264 108 G C 0.757 175.644 174.900 -0.021 0.000 0.975 108 G CA 0.516 45.598 45.100 -0.030 0.000 0.642 108 G HN 0.559 nan 8.290 nan 0.000 0.536 109 L N -0.516 120.700 121.223 -0.011 0.000 2.240 109 L HA 0.299 4.638 4.340 -0.001 0.000 0.211 109 L C 1.511 178.399 176.870 0.030 0.000 1.106 109 L CA 0.614 55.424 54.840 -0.050 0.000 0.793 109 L CB -0.140 41.852 42.059 -0.112 0.000 0.927 109 L HN 0.229 nan 8.230 nan 0.000 0.446 110 L N -0.135 121.147 121.223 0.099 0.000 2.322 110 L HA 0.334 4.673 4.340 -0.001 0.000 0.279 110 L C 0.240 177.162 176.870 0.088 0.000 1.036 110 L CA -0.748 54.170 54.840 0.129 0.000 0.807 110 L CB 1.278 43.431 42.059 0.156 0.000 1.226 110 L HN -0.010 nan 8.230 nan 0.000 0.433 111 R N 1.063 121.614 120.500 0.085 0.000 2.458 111 R HA 0.014 4.354 4.340 -0.001 0.000 0.303 111 R C 1.074 177.425 176.300 0.085 0.000 1.013 111 R CA -0.153 55.991 56.100 0.072 0.000 1.026 111 R CB 0.501 30.839 30.300 0.064 0.000 0.948 111 R HN 0.668 nan 8.270 nan 0.000 0.417 112 S N 2.191 117.952 115.700 0.102 0.000 2.400 112 S HA -0.153 4.317 4.470 -0.001 0.000 0.232 112 S C 1.874 176.533 174.600 0.098 0.000 1.025 112 S CA 1.472 59.758 58.200 0.144 0.000 0.993 112 S CB 0.029 63.375 63.200 0.243 0.000 0.808 112 S HN 0.911 nan 8.310 nan 0.000 0.478 113 G N 0.785 109.628 108.800 0.072 0.000 2.551 113 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.216 113 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.216 113 G C 1.182 176.106 174.900 0.040 0.000 1.137 113 G CA 0.170 45.297 45.100 0.046 0.000 0.798 113 G HN 0.452 nan 8.290 nan 0.000 0.536 114 K N -0.196 120.233 120.400 0.048 0.000 2.459 114 K HA 0.212 4.531 4.320 -0.001 0.000 0.193 114 K C 0.284 176.909 176.600 0.042 0.000 1.030 114 K CA -0.234 56.079 56.287 0.043 0.000 1.026 114 K CB -0.132 32.397 32.500 0.049 0.000 0.809 114 K HN 0.207 nan 8.250 nan 0.000 0.504 115 L N 3.656 124.908 121.223 0.047 0.000 2.305 115 L HA 0.270 4.609 4.340 -0.001 0.000 0.281 115 L C -1.863 175.024 176.870 0.029 0.000 1.085 115 L CA -2.015 52.851 54.840 0.043 0.000 0.813 115 L CB 0.699 42.793 42.059 0.057 0.000 1.157 115 L HN 0.107 nan 8.230 nan 0.000 0.436 116 P HA 0.313 nan 4.420 nan 0.000 0.276 116 P C 0.125 177.429 177.300 0.007 0.000 1.244 116 P CA 0.130 63.240 63.100 0.016 0.000 0.801 116 P CB 1.244 32.956 31.700 0.019 0.000 1.006 125 L N 0.961 122.132 121.223 -0.087 0.000 2.385 125 L HA 0.505 4.844 4.340 -0.001 0.000 0.273 125 L C 0.173 176.989 176.870 -0.089 0.000 0.990 125 L CA -0.818 53.994 54.840 -0.047 0.000 0.821 125 L CB 1.897 43.971 42.059 0.025 0.000 1.279 125 L HN 0.851 nan 8.230 nan 0.000 0.412 126 E N 1.701 121.844 120.200 -0.094 0.000 2.480 126 E HA 0.021 4.370 4.350 -0.001 0.000 0.258 126 E C 0.666 177.224 176.600 -0.071 0.000 0.984 126 E CA 0.444 56.749 56.400 -0.158 0.000 0.930 126 E CB 1.684 31.254 29.700 -0.217 0.000 0.936 126 E HN 0.748 nan 8.360 nan 0.000 0.466 127 A N 5.510 128.216 122.820 -0.190 0.000 1.859 127 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 127 A C 1.915 179.448 177.584 -0.086 0.000 1.198 127 A CA 1.712 53.606 52.037 -0.239 0.000 0.629 127 A CB -0.966 17.709 19.000 -0.542 0.000 0.830 127 A HN 0.887 nan 8.150 nan 0.000 0.446 128 W N -0.601 120.719 121.300 0.033 0.000 2.358 128 W HA -0.005 4.654 4.660 -0.001 0.000 0.303 128 W C 2.548 179.053 176.519 -0.023 0.000 1.208 128 W CA 0.478 57.829 57.345 0.009 0.000 1.274 128 W CB -0.485 28.972 29.460 -0.004 0.000 1.138 128 W HN 0.430 nan 8.180 nan 0.000 0.515 129 G N -0.667 108.266 108.800 0.221 0.000 2.408 129 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.217 129 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.217 129 G C 1.132 176.112 174.900 0.134 0.000 1.150 129 G CA 0.980 46.162 45.100 0.136 0.000 0.776 129 G HN 0.334 nan 8.290 nan 0.000 0.542 130 Y N 1.433 121.765 120.300 0.052 0.000 2.145 130 Y HA -0.084 4.465 4.550 -0.001 0.000 0.286 130 Y C 2.955 178.889 175.900 0.057 0.000 1.145 130 Y CA 1.788 59.911 58.100 0.039 0.000 1.148 130 Y CB -0.056 38.399 38.460 -0.009 0.000 0.981 130 Y HN -0.030 nan 8.280 nan 0.000 0.507 131 R N 0.414 120.990 120.500 0.127 0.000 2.091 131 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 131 R C 2.344 178.652 176.300 0.014 0.000 1.136 131 R CA 1.708 57.859 56.100 0.085 0.000 0.959 131 R CB -1.076 29.355 30.300 0.217 0.000 0.856 131 R HN 0.463 nan 8.270 nan 0.000 0.437 132 L N -0.805 120.422 121.223 0.007 0.000 2.083 132 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 132 L C 2.393 179.271 176.870 0.014 0.000 1.083 132 L CA 1.470 56.299 54.840 -0.019 0.000 0.752 132 L CB -0.700 41.209 42.059 -0.250 0.000 0.899 132 L HN 0.295 nan 8.230 nan 0.000 0.433 133 G N -1.113 107.672 108.800 -0.024 0.000 2.534 133 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.217 133 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.217 133 G C 1.388 176.211 174.900 -0.127 0.000 1.128 133 G CA 0.211 45.285 45.100 -0.044 0.000 0.784 133 G HN 0.250 nan 8.290 nan 0.000 0.542 134 E N -0.035 120.048 120.200 -0.196 0.000 2.476 134 E HA 0.146 4.496 4.350 -0.001 0.000 0.199 134 E C 2.333 178.917 176.600 -0.027 0.000 1.021 134 E CA -0.245 56.052 56.400 -0.171 0.000 0.907 134 E CB 0.007 29.521 29.700 -0.310 0.000 0.974 134 E HN 0.257 nan 8.360 nan 0.000 0.489 135 M N 0.733 120.354 119.600 0.034 0.000 2.144 135 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 135 M C 1.847 178.158 176.300 0.019 0.000 1.067 135 M CA 1.524 56.889 55.300 0.108 0.000 1.095 135 M CB -0.714 31.993 32.600 0.178 0.000 1.365 135 M HN 0.030 nan 8.290 nan 0.000 0.406 136 K N -0.596 119.847 120.400 0.072 0.000 2.025 136 K HA -0.051 4.268 4.320 -0.001 0.000 0.207 136 K C 2.158 178.818 176.600 0.101 0.000 1.049 136 K CA 1.329 57.733 56.287 0.196 0.000 0.933 136 K CB -0.500 32.132 32.500 0.219 0.000 0.714 136 K HN 0.457 nan 8.250 nan 0.000 0.438 137 G N 1.015 109.831 108.800 0.026 0.000 2.408 137 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 137 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 137 G C 1.333 176.193 174.900 -0.067 0.000 1.150 137 G CA 0.561 45.647 45.100 -0.022 0.000 0.776 137 G HN 0.320 nan 8.290 nan 0.000 0.542 138 E N -0.879 119.296 120.200 -0.042 0.000 2.150 138 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 138 E C 1.971 178.496 176.600 -0.124 0.000 0.985 138 E CA 0.550 56.944 56.400 -0.011 0.000 0.814 138 E CB -0.197 29.578 29.700 0.125 0.000 0.752 138 E HN 0.540 nan 8.360 nan 0.000 0.466 139 Y N 1.358 121.356 120.300 -0.503 0.000 2.263 139 Y HA -0.091 4.458 4.550 -0.001 0.000 0.292 139 Y C 2.013 177.660 175.900 -0.422 0.000 1.130 139 Y CA 1.619 59.258 58.100 -0.770 0.000 1.179 139 Y CB -0.070 37.798 38.460 -0.987 0.000 0.998 139 Y HN -0.172 nan 8.280 nan 0.000 0.532 140 K N 0.027 120.102 120.400 -0.542 0.000 2.097 140 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 140 K C 1.423 177.768 176.600 -0.426 0.000 1.049 140 K CA 1.841 57.798 56.287 -0.549 0.000 0.933 140 K CB -0.182 32.126 32.500 -0.319 0.000 0.717 140 K HN 0.306 nan 8.250 nan 0.000 0.442 141 D N 1.053 121.278 120.400 -0.292 0.000 2.117 141 D HA -0.126 4.513 4.640 -0.001 0.000 0.198 141 D C 1.373 177.552 176.300 -0.201 0.000 0.982 141 D CA 1.290 55.160 54.000 -0.217 0.000 0.828 141 D CB -0.264 40.464 40.800 -0.120 0.000 0.967 141 D HN 0.298 nan 8.370 nan 0.000 0.464 142 D N -0.501 119.792 120.400 -0.178 0.000 2.144 142 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 142 D C 1.651 177.831 176.300 -0.199 0.000 0.978 142 D CA 0.392 54.321 54.000 -0.118 0.000 0.833 142 D CB -0.199 40.625 40.800 0.041 0.000 0.961 142 D HN 0.112 nan 8.370 nan 0.000 0.470 143 F N 1.500 121.139 119.950 -0.518 0.000 2.113 143 F HA -0.071 4.456 4.527 -0.001 0.000 0.297 143 F C 1.928 177.497 175.800 -0.385 0.000 1.103 143 F CA 1.251 58.933 58.000 -0.529 0.000 1.248 143 F CB 0.122 38.611 39.000 -0.852 0.000 0.999 143 F HN -0.228 nan 8.300 nan 0.000 0.475 144 K N 0.238 120.481 120.400 -0.262 0.000 2.057 144 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 144 K C 2.165 178.606 176.600 -0.266 0.000 1.049 144 K CA 1.940 58.025 56.287 -0.337 0.000 0.931 144 K CB -0.268 31.929 32.500 -0.506 0.000 0.714 144 K HN 0.404 nan 8.250 nan 0.000 0.440 145 R N 0.509 120.870 120.500 -0.231 0.000 2.115 145 R HA 0.015 4.354 4.340 -0.001 0.000 0.226 145 R C 2.119 178.307 176.300 -0.187 0.000 1.100 145 R CA 1.094 57.088 56.100 -0.177 0.000 0.980 145 R CB -0.392 29.827 30.300 -0.136 0.000 0.875 145 R HN 0.078 nan 8.270 nan 0.000 0.445 146 M N 0.975 120.431 119.600 -0.240 0.000 2.213 146 M HA -0.064 4.415 4.480 -0.001 0.000 0.263 146 M C 2.120 178.256 176.300 -0.273 0.000 1.062 146 M CA 1.567 56.717 55.300 -0.250 0.000 1.105 146 M CB -0.101 32.319 32.600 -0.301 0.000 1.385 146 M HN 0.202 nan 8.290 nan 0.000 0.417 147 L N -0.715 120.304 121.223 -0.340 0.000 2.179 147 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 147 L C 1.947 178.719 176.870 -0.163 0.000 1.096 147 L CA 1.085 55.756 54.840 -0.280 0.000 0.779 147 L CB -0.444 41.429 42.059 -0.310 0.000 0.922 147 L HN 0.324 nan 8.230 nan 0.000 0.443 148 E N -0.122 119.991 120.200 -0.144 0.000 2.427 148 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 148 E C 1.701 178.247 176.600 -0.089 0.000 1.028 148 E CA 0.433 56.775 56.400 -0.097 0.000 0.864 148 E CB 0.208 29.854 29.700 -0.090 0.000 0.813 148 E HN 0.528 nan 8.360 nan 0.000 0.514 149 E N 0.447 120.584 120.200 -0.105 0.000 2.122 149 E HA -0.090 4.259 4.350 -0.001 0.000 0.190 149 E C 1.629 178.181 176.600 -0.080 0.000 0.977 149 E CA 0.518 56.865 56.400 -0.087 0.000 0.820 149 E CB 0.235 29.879 29.700 -0.094 0.000 0.770 149 E HN 0.098 nan 8.360 nan 0.000 0.462 150 Q N -0.540 119.203 119.800 -0.095 0.000 2.444 150 Q HA 0.069 4.408 4.340 -0.001 0.000 0.206 150 Q C 1.236 177.196 176.000 -0.066 0.000 0.948 150 Q CA 0.795 56.549 55.803 -0.082 0.000 0.946 150 Q CB 0.978 29.657 28.738 -0.099 0.000 1.027 150 Q HN 0.446 nan 8.270 nan 0.000 0.513 151 G N 0.893 109.655 108.800 -0.063 0.000 2.234 151 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.260 151 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.260 151 G C 0.016 174.891 174.900 -0.042 0.000 0.987 151 G CA 0.310 45.382 45.100 -0.046 0.000 0.625 151 G HN 0.427 nan 8.290 nan 0.000 0.532 152 E N 1.029 121.196 120.200 -0.054 0.000 2.390 152 E HA 0.423 4.773 4.350 -0.001 0.000 0.261 152 E C 0.182 176.765 176.600 -0.030 0.000 1.076 152 E CA -0.092 56.282 56.400 -0.044 0.000 0.905 152 E CB 0.667 30.330 29.700 -0.062 0.000 0.984 152 E HN 0.550 nan 8.360 nan 0.000 0.427 153 E N 1.301 121.497 120.200 -0.007 0.000 2.266 153 E HA 0.100 4.450 4.350 -0.001 0.000 0.277 153 E C -1.122 175.502 176.600 0.041 0.000 1.018 153 E CA -0.460 55.951 56.400 0.019 0.000 0.840 153 E CB 0.921 30.630 29.700 0.014 0.000 1.082 153 E HN 0.384 nan 8.360 nan 0.000 0.395 154 Y N 2.443 122.710 120.300 -0.056 0.000 2.304 154 Y HA 0.325 4.874 4.550 -0.001 0.000 0.328 154 Y C -0.904 174.963 175.900 -0.055 0.000 1.123 154 Y CA -0.417 57.646 58.100 -0.061 0.000 1.218 154 Y CB 0.707 39.127 38.460 -0.067 0.000 1.207 154 Y HN 0.180 nan 8.280 nan 0.000 0.495 155 V N 6.468 125.862 119.914 -0.866 0.000 2.680 155 V HA 0.222 4.341 4.120 -0.001 0.000 0.309 155 V C 0.233 175.790 176.094 -0.895 0.000 1.052 155 V CA -0.733 61.193 62.300 -0.623 0.000 0.908 155 V CB 1.656 33.343 31.823 -0.227 0.000 1.001 155 V HN 1.007 nan 8.190 nan 0.000 0.431 156 D N 3.113 123.271 120.400 -0.403 0.000 2.851 156 D HA -0.272 4.368 4.640 -0.001 0.000 0.551 156 D C 1.183 177.338 176.300 -0.242 0.000 0.649 156 D CA 2.930 56.812 54.000 -0.196 0.000 1.555 156 D CB -0.565 40.245 40.800 0.016 0.000 0.307 156 D HN 1.044 nan 8.370 nan 0.000 0.315 157 G N -1.410 107.210 108.800 -0.301 0.000 5.102 157 G HA2 0.364 4.324 3.960 -0.001 0.000 0.212 157 G HA3 0.364 4.324 3.960 -0.001 0.000 0.212 157 G C 0.696 175.203 174.900 -0.656 0.000 0.832 157 G CA 0.403 45.368 45.100 -0.225 0.000 0.718 157 G HN 0.357 nan 8.290 nan 0.000 0.506 158 M N -0.169 118.678 119.600 -1.255 0.000 2.549 158 M HA 0.054 4.533 4.480 -0.001 0.000 0.260 158 M C 1.856 177.365 176.300 -1.319 0.000 1.076 158 M CA 1.454 55.532 55.300 -2.036 0.000 1.090 158 M CB -0.178 31.302 32.600 -1.868 0.000 1.418 158 M HN 0.208 nan 8.290 nan 0.000 0.486 159 E N 0.552 119.992 120.200 -1.267 0.000 2.338 159 E HA -0.194 4.156 4.350 -0.001 0.000 0.197 159 E C 0.753 176.718 176.600 -1.058 0.000 1.007 159 E CA 1.155 56.436 56.400 -1.866 0.000 0.849 159 E CB -0.675 27.896 29.700 -1.882 0.000 0.774 159 E HN 0.886 nan 8.360 nan 0.000 0.506 160 W N -0.891 120.194 121.300 -0.358 0.000 3.127 160 W HA 0.230 4.889 4.660 -0.001 0.000 0.344 160 W C 1.214 177.861 176.519 0.214 0.000 1.151 160 W CA -1.088 56.241 57.345 -0.027 0.000 1.765 160 W CB 0.085 29.567 29.460 0.037 0.000 1.085 160 W HN -0.048 nan 8.180 nan 0.000 0.596 161 W N 0.994 122.381 121.300 0.144 0.000 2.381 161 W HA -0.025 4.635 4.660 -0.001 0.000 0.301 161 W C 0.630 177.249 176.519 0.166 0.000 1.205 161 W CA 0.796 58.230 57.345 0.149 0.000 1.285 161 W CB -1.142 28.354 29.460 0.058 0.000 1.133 161 W HN -0.263 nan 8.180 nan 0.000 0.521 162 N N -1.240 117.587 118.700 0.212 0.000 2.321 162 N HA 0.165 4.904 4.740 -0.001 0.000 0.290 162 N C -1.343 173.964 175.510 -0.338 0.000 1.212 162 N CA -0.764 52.291 53.050 0.010 0.000 0.767 162 N CB 2.004 40.566 38.487 0.125 0.000 1.494 162 N HN -0.253 nan 8.380 nan 0.000 0.479 163 F N 1.770 121.427 119.950 -0.487 0.000 2.389 163 F HA 0.384 4.910 4.527 -0.001 0.000 0.337 163 F C -0.166 175.562 175.800 -0.119 0.000 1.112 163 F CA -0.196 57.574 58.000 -0.385 0.000 1.192 163 F CB 0.451 39.329 39.000 -0.205 0.000 1.185 163 F HN 0.633 nan 8.300 nan 0.000 0.552 164 N N 1.662 119.637 118.700 -1.208 0.000 2.823 164 N HA 0.207 4.947 4.740 -0.001 0.000 0.251 164 N C -0.495 174.434 175.510 -0.969 0.000 1.392 164 N CA -0.758 51.748 53.050 -0.907 0.000 0.864 164 N CB 0.806 39.123 38.487 -0.283 0.000 1.481 164 N HN 0.409 nan 8.380 nan 0.000 0.508 165 E N -0.444 119.439 120.200 -0.528 0.000 2.333 165 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 165 E C 1.575 178.104 176.600 -0.117 0.000 1.007 165 E CA 1.644 57.887 56.400 -0.261 0.000 0.845 165 E CB -0.484 29.148 29.700 -0.114 0.000 0.766 165 E HN 0.843 nan 8.360 nan 0.000 0.507 166 E N 1.091 121.253 120.200 -0.064 0.000 2.107 166 E HA -0.021 4.329 4.350 -0.001 0.000 0.191 166 E C 1.767 178.463 176.600 0.161 0.000 0.982 166 E CA 1.108 57.575 56.400 0.112 0.000 0.809 166 E CB -0.456 29.373 29.700 0.214 0.000 0.756 166 E HN 0.254 nan 8.360 nan 0.000 0.459 167 M N -1.047 118.524 119.600 -0.049 0.000 2.175 167 M HA -0.035 4.445 4.480 -0.001 0.000 0.264 167 M C 2.498 178.774 176.300 -0.040 0.000 1.063 167 M CA 2.150 57.276 55.300 -0.291 0.000 1.119 167 M CB -0.063 32.317 32.600 -0.368 0.000 1.377 167 M HN 0.429 nan 8.290 nan 0.000 0.415 168 M N 0.962 120.569 119.600 0.012 0.000 2.117 168 M HA -0.219 4.260 4.480 -0.001 0.000 0.262 168 M C 1.205 177.557 176.300 0.087 0.000 1.065 168 M CA 1.971 57.356 55.300 0.142 0.000 1.114 168 M CB -0.488 32.238 32.600 0.210 0.000 1.361 168 M HN 0.223 nan 8.290 nan 0.000 0.408 169 D N -1.056 119.372 120.400 0.047 0.000 2.117 169 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 169 D C 1.850 178.133 176.300 -0.028 0.000 0.987 169 D CA 1.546 55.539 54.000 -0.013 0.000 0.829 169 D CB -0.500 40.266 40.800 -0.057 0.000 0.961 169 D HN 0.472 nan 8.370 nan 0.000 0.460 170 Y N 1.048 121.334 120.300 -0.023 0.000 2.352 170 Y HA -0.085 4.464 4.550 -0.001 0.000 0.292 170 Y C 2.201 178.106 175.900 0.008 0.000 1.136 170 Y CA 0.926 59.019 58.100 -0.012 0.000 1.227 170 Y CB -0.268 38.163 38.460 -0.048 0.000 0.991 170 Y HN 0.042 nan 8.280 nan 0.000 0.545 171 N N -0.487 118.307 118.700 0.156 0.000 2.171 171 N HA -0.153 4.586 4.740 -0.001 0.000 0.184 171 N C 1.689 177.274 175.510 0.125 0.000 1.021 171 N CA 1.152 54.285 53.050 0.138 0.000 0.854 171 N CB -0.021 38.541 38.487 0.125 0.000 0.994 171 N HN 0.076 nan 8.380 nan 0.000 0.426 172 V N 1.274 121.233 119.914 0.076 0.000 2.358 172 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 172 V C 2.408 178.486 176.094 -0.026 0.000 1.047 172 V CA 1.343 63.657 62.300 0.024 0.000 1.035 172 V CB -0.522 31.263 31.823 -0.063 0.000 0.658 172 V HN 0.384 nan 8.190 nan 0.000 0.452 173 Q N -0.318 119.458 119.800 -0.040 0.000 2.170 173 Q HA -0.190 4.149 4.340 -0.001 0.000 0.203 173 Q C 2.063 178.069 176.000 0.011 0.000 0.976 173 Q CA 1.430 57.200 55.803 -0.055 0.000 0.858 173 Q CB -0.482 28.195 28.738 -0.101 0.000 0.907 173 Q HN 0.628 nan 8.270 nan 0.000 0.433 174 D N -0.313 120.132 120.400 0.075 0.000 2.097 174 D HA -0.114 4.525 4.640 -0.001 0.000 0.195 174 D C 1.998 178.350 176.300 0.087 0.000 0.989 174 D CA 0.939 54.998 54.000 0.099 0.000 0.827 174 D CB 0.048 40.938 40.800 0.150 0.000 0.966 174 D HN 0.054 nan 8.370 nan 0.000 0.456 175 V N 1.308 121.298 119.914 0.128 0.000 2.515 175 V HA -0.184 3.935 4.120 -0.001 0.000 0.250 175 V C 2.723 178.869 176.094 0.087 0.000 1.058 175 V CA 1.472 63.864 62.300 0.154 0.000 1.064 175 V CB -0.493 31.494 31.823 0.273 0.000 0.675 175 V HN 0.160 nan 8.190 nan 0.000 0.461 176 V N -1.806 118.137 119.914 0.048 0.000 2.358 176 V HA -0.134 3.985 4.120 -0.001 0.000 0.246 176 V C 2.173 178.141 176.094 -0.210 0.000 1.047 176 V CA 1.995 64.257 62.300 -0.064 0.000 1.035 176 V CB -0.772 30.959 31.823 -0.155 0.000 0.658 176 V HN 0.288 nan 8.190 nan 0.000 0.452 177 V N 1.001 120.806 119.914 -0.181 0.000 2.453 177 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 177 V C 2.792 178.722 176.094 -0.274 0.000 1.048 177 V CA 2.505 64.634 62.300 -0.285 0.000 1.049 177 V CB -1.111 30.679 31.823 -0.054 0.000 0.672 177 V HN 0.647 nan 8.190 nan 0.000 0.457 178 T N -0.401 114.078 114.554 -0.125 0.000 2.821 178 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 178 T C 1.947 176.598 174.700 -0.083 0.000 1.046 178 T CA 1.630 63.696 62.100 -0.056 0.000 1.139 178 T CB -0.139 68.769 68.868 0.067 0.000 0.871 178 T HN 0.460 nan 8.240 nan 0.000 0.454 179 K N 1.116 121.431 120.400 -0.141 0.000 2.057 179 K HA -0.020 4.299 4.320 -0.001 0.000 0.207 179 K C 2.494 178.969 176.600 -0.209 0.000 1.049 179 K CA 1.223 57.406 56.287 -0.173 0.000 0.931 179 K CB -0.297 31.990 32.500 -0.355 0.000 0.714 179 K HN 0.266 nan 8.250 nan 0.000 0.440 180 A N 1.666 124.254 122.820 -0.387 0.000 1.902 180 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 180 A C 2.140 179.454 177.584 -0.449 0.000 1.181 180 A CA 1.165 52.865 52.037 -0.561 0.000 0.623 180 A CB -0.610 17.678 19.000 -1.187 0.000 0.818 180 A HN 0.421 nan 8.150 nan 0.000 0.443 181 L N -0.943 120.055 121.223 -0.374 0.000 2.056 181 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 181 L C 2.528 179.425 176.870 0.045 0.000 1.078 181 L CA 1.692 56.510 54.840 -0.037 0.000 0.749 181 L CB -0.310 41.790 42.059 0.068 0.000 0.901 181 L HN 0.499 nan 8.230 nan 0.000 0.433 182 L N 0.299 121.531 121.223 0.015 0.000 2.012 182 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 182 L C 2.320 179.191 176.870 0.002 0.000 1.073 182 L CA 1.942 56.804 54.840 0.037 0.000 0.748 182 L CB -0.556 41.537 42.059 0.057 0.000 0.891 182 L HN 0.262 nan 8.230 nan 0.000 0.431 183 E N -0.642 119.560 120.200 0.003 0.000 2.204 183 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 183 E C 2.068 178.686 176.600 0.029 0.000 0.989 183 E CA 1.054 57.458 56.400 0.008 0.000 0.824 183 E CB -0.154 29.561 29.700 0.025 0.000 0.756 183 E HN 0.520 nan 8.360 nan 0.000 0.477 184 K N 1.080 121.521 120.400 0.068 0.000 2.155 184 K HA -0.085 4.235 4.320 -0.001 0.000 0.203 184 K C 2.018 178.695 176.600 0.129 0.000 1.052 184 K CA 0.591 56.962 56.287 0.140 0.000 0.948 184 K CB 0.130 32.779 32.500 0.249 0.000 0.728 184 K HN 0.085 nan 8.250 nan 0.000 0.448 185 L N 0.774 122.054 121.223 0.094 0.000 2.095 185 L HA -0.097 4.242 4.340 -0.001 0.000 0.204 185 L C 2.230 179.100 176.870 0.000 0.000 1.080 185 L CA 0.718 55.601 54.840 0.072 0.000 0.759 185 L CB -0.274 41.834 42.059 0.082 0.000 0.914 185 L HN 0.160 nan 8.230 nan 0.000 0.439 186 L N -0.195 120.904 121.223 -0.207 0.000 2.275 186 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 186 L C 2.553 179.366 176.870 -0.095 0.000 1.119 186 L CA 1.065 55.599 54.840 -0.509 0.000 0.790 186 L CB -0.501 41.269 42.059 -0.481 0.000 0.919 186 L HN 0.369 nan 8.230 nan 0.000 0.443 187 S N -2.244 113.472 115.700 0.027 0.000 2.607 187 S HA -0.075 4.394 4.470 -0.001 0.000 0.224 187 S C 0.751 175.437 174.600 0.143 0.000 0.969 187 S CA -0.226 58.029 58.200 0.092 0.000 0.927 187 S CB -0.386 62.868 63.200 0.090 0.000 0.772 187 S HN 0.285 nan 8.310 nan 0.000 0.533 188 D N 1.945 122.465 120.400 0.200 0.000 2.352 188 D HA 0.322 4.961 4.640 -0.001 0.000 0.245 188 D C 1.180 177.632 176.300 0.254 0.000 1.224 188 D CA 0.154 54.295 54.000 0.235 0.000 0.879 188 D CB 1.386 42.360 40.800 0.291 0.000 1.057 188 D HN 0.391 nan 8.370 nan 0.000 0.491 189 K N 3.092 123.595 120.400 0.173 0.000 2.360 189 K HA -0.198 4.121 4.320 -0.001 0.000 0.201 189 K C 1.727 178.358 176.600 0.051 0.000 1.046 189 K CA 1.701 58.062 56.287 0.125 0.000 0.945 189 K CB -0.830 31.731 32.500 0.101 0.000 0.750 189 K HN 0.698 nan 8.250 nan 0.000 0.464 190 H N -1.658 117.366 119.070 -0.076 0.000 2.428 190 H HA 0.027 4.582 4.556 -0.001 0.000 0.296 190 H C 1.474 176.479 175.328 -0.538 0.000 1.062 190 H CA 2.102 57.958 56.048 -0.321 0.000 1.350 190 H CB 0.108 29.574 29.762 -0.493 0.000 1.403 190 H HN 0.588 nan 8.280 nan 0.000 0.533 191 Y N -1.806 118.394 120.300 -0.167 0.000 2.479 191 Y HA 0.202 4.751 4.550 -0.001 0.000 0.283 191 Y C -0.171 175.188 175.900 -0.901 0.000 1.109 191 Y CA -0.121 57.668 58.100 -0.517 0.000 1.239 191 Y CB 0.608 38.736 38.460 -0.553 0.000 1.108 191 Y HN -0.015 nan 8.280 nan 0.000 0.548 192 F N 0.858 120.741 119.950 -0.112 0.000 2.499 192 F HA 0.457 4.983 4.527 -0.001 0.000 0.333 192 F C -2.632 173.175 175.800 0.012 0.000 1.138 192 F CA -3.307 54.512 58.000 -0.302 0.000 0.945 192 F CB 1.130 39.748 39.000 -0.637 0.000 1.181 192 F HN -0.300 nan 8.300 nan 0.000 0.435 193 P HA 0.065 nan 4.420 nan 0.000 0.264 193 P C -2.059 175.408 177.300 0.278 0.000 1.193 193 P CA -0.772 62.469 63.100 0.235 0.000 0.763 193 P CB 0.538 32.356 31.700 0.197 0.000 0.810 194 P HA -0.162 nan 4.420 nan 0.000 0.222 194 P C 0.901 178.256 177.300 0.091 0.000 1.147 194 P CA 1.264 64.444 63.100 0.134 0.000 0.790 194 P CB 0.072 31.828 31.700 0.094 0.000 0.780 195 E N -0.750 119.490 120.200 0.066 0.000 2.268 195 E HA -0.042 4.307 4.350 -0.001 0.000 0.195 195 E C 0.622 177.203 176.600 -0.032 0.000 0.995 195 E CA 0.671 57.080 56.400 0.016 0.000 0.836 195 E CB -0.450 29.253 29.700 0.004 0.000 0.763 195 E HN 0.323 nan 8.360 nan 0.000 0.491 196 I N 0.893 121.430 120.570 -0.054 0.000 2.377 196 I HA 0.140 4.309 4.170 -0.001 0.000 0.293 196 I C -0.326 175.662 176.117 -0.215 0.000 0.987 196 I CA -0.931 60.217 61.300 -0.252 0.000 1.185 196 I CB 1.517 39.141 38.000 -0.627 0.000 1.341 196 I HN -0.218 nan 8.210 nan 0.000 0.455 197 D N 5.578 125.847 120.400 -0.217 0.000 2.441 197 D HA 0.178 4.817 4.640 -0.001 0.000 0.221 197 D C 0.524 176.710 176.300 -0.190 0.000 1.156 197 D CA -0.164 53.767 54.000 -0.115 0.000 0.896 197 D CB 0.338 41.084 40.800 -0.090 0.000 1.028 197 D HN 0.289 nan 8.370 nan 0.000 0.509 198 F N 1.145 121.039 119.950 -0.092 0.000 2.641 198 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 198 F C 2.478 178.217 175.800 -0.101 0.000 1.146 198 F CA 1.023 58.984 58.000 -0.065 0.000 1.464 198 F CB -0.139 38.791 39.000 -0.117 0.000 1.101 198 F HN 0.393 nan 8.300 nan 0.000 0.585 199 T N -4.731 109.752 114.554 -0.119 0.000 3.086 199 T HA 0.046 4.395 4.350 -0.001 0.000 0.250 199 T C 0.702 175.200 174.700 -0.338 0.000 1.074 199 T CA 0.302 62.147 62.100 -0.424 0.000 0.988 199 T CB -0.084 68.273 68.868 -0.852 0.000 0.988 199 T HN 0.085 nan 8.240 nan 0.000 0.530 200 D N 1.303 121.592 120.400 -0.186 0.000 2.819 200 D HA 0.297 4.936 4.640 -0.001 0.000 0.326 200 D C -0.210 176.020 176.300 -0.117 0.000 1.408 200 D CA -0.390 53.530 54.000 -0.133 0.000 0.811 200 D CB 0.819 41.553 40.800 -0.109 0.000 1.148 200 D HN 0.410 nan 8.370 nan 0.000 0.457 201 V N -2.821 117.031 119.914 -0.103 0.000 3.040 201 V HA 0.985 5.105 4.120 -0.001 0.000 0.312 201 V C 0.790 176.852 176.094 -0.054 0.000 1.115 201 V CA -0.779 61.464 62.300 -0.095 0.000 0.998 201 V CB 1.328 33.066 31.823 -0.142 0.000 1.042 201 V HN 0.004 nan 8.190 nan 0.000 0.433 202 G N 0.432 109.193 108.800 -0.064 0.000 2.599 202 G HA2 0.323 4.282 3.960 -0.001 0.000 0.264 202 G HA3 0.323 4.282 3.960 -0.001 0.000 0.264 202 G C 0.202 175.079 174.900 -0.039 0.000 1.200 202 G CA 0.215 45.285 45.100 -0.051 0.000 0.896 202 G HN 1.372 nan 8.290 nan 0.000 0.536 203 Y N -1.055 119.221 120.300 -0.040 0.000 2.165 203 Y HA -0.150 4.400 4.550 -0.001 0.000 0.286 203 Y C 2.701 178.621 175.900 0.032 0.000 1.155 203 Y CA 2.019 60.082 58.100 -0.061 0.000 1.164 203 Y CB -0.998 37.494 38.460 0.053 0.000 0.978 203 Y HN 0.436 nan 8.280 nan 0.000 0.513 204 T N -0.299 113.904 114.554 -0.584 0.000 2.788 204 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 204 T C 1.702 176.380 174.700 -0.037 0.000 1.044 204 T CA 2.272 64.191 62.100 -0.302 0.000 1.139 204 T CB -0.718 67.847 68.868 -0.505 0.000 0.867 204 T HN 0.647 nan 8.240 nan 0.000 0.454 205 T N 0.825 115.332 114.554 -0.078 0.000 2.896 205 T HA 0.077 4.426 4.350 -0.001 0.000 0.263 205 T C 1.364 176.086 174.700 0.036 0.000 1.050 205 T CA 0.818 62.896 62.100 -0.036 0.000 1.140 205 T CB -0.441 68.368 68.868 -0.098 0.000 0.877 205 T HN 0.459 nan 8.240 nan 0.000 0.457 206 F N 0.455 120.327 119.950 -0.130 0.000 2.126 206 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 206 F C 1.685 177.444 175.800 -0.068 0.000 1.096 206 F CA 1.313 59.248 58.000 -0.108 0.000 1.255 206 F CB -0.267 38.444 39.000 -0.481 0.000 0.997 206 F HN 0.253 nan 8.300 nan 0.000 0.479 207 W N -0.126 121.384 121.300 0.349 0.000 2.453 207 W HA -0.067 4.592 4.660 -0.001 0.000 0.289 207 W C 2.881 179.471 176.519 0.118 0.000 1.215 207 W CA 0.868 58.344 57.345 0.220 0.000 1.297 207 W CB -0.919 28.674 29.460 0.222 0.000 1.113 207 W HN 0.046 nan 8.180 nan 0.000 0.551 208 S N 0.189 116.064 115.700 0.291 0.000 2.387 208 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 208 S C 1.525 176.202 174.600 0.129 0.000 1.026 208 S CA 1.197 59.504 58.200 0.179 0.000 0.972 208 S CB -0.429 62.840 63.200 0.116 0.000 0.814 208 S HN 0.146 nan 8.310 nan 0.000 0.477 209 E N 2.162 122.438 120.200 0.127 0.000 2.230 209 E HA 0.102 4.451 4.350 -0.001 0.000 0.192 209 E C 1.252 177.964 176.600 0.187 0.000 0.987 209 E CA 0.613 57.099 56.400 0.143 0.000 0.841 209 E CB -0.300 29.455 29.700 0.091 0.000 0.783 209 E HN 0.749 nan 8.360 nan 0.000 0.481 210 S N 0.705 116.464 115.700 0.098 0.000 2.632 210 S HA 0.265 4.734 4.470 -0.001 0.000 0.267 210 S C 0.370 174.872 174.600 -0.164 0.000 1.276 210 S CA -0.896 57.165 58.200 -0.232 0.000 0.998 210 S CB 1.183 64.036 63.200 -0.578 0.000 0.953 210 S HN 0.060 nan 8.310 nan 0.000 0.547 211 L N 1.508 122.555 121.223 -0.294 0.000 2.514 211 L HA 0.141 4.480 4.340 -0.001 0.000 0.280 211 L C 1.815 178.694 176.870 0.015 0.000 1.223 211 L CA 0.539 55.288 54.840 -0.152 0.000 0.864 211 L CB -0.133 41.787 42.059 -0.232 0.000 1.118 211 L HN 1.009 nan 8.230 nan 0.000 0.494 212 E N 2.989 123.243 120.200 0.090 0.000 2.187 212 E HA -0.301 4.048 4.350 -0.001 0.000 0.199 212 E C 1.695 178.436 176.600 0.235 0.000 1.004 212 E CA 1.470 57.990 56.400 0.200 0.000 0.813 212 E CB 0.117 29.985 29.700 0.280 0.000 0.736 212 E HN 0.908 nan 8.360 nan 0.000 0.468 213 A N 0.325 123.273 122.820 0.213 0.000 1.978 213 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 213 A C 2.360 180.101 177.584 0.262 0.000 1.170 213 A CA 1.480 53.666 52.037 0.248 0.000 0.636 213 A CB -0.537 18.622 19.000 0.266 0.000 0.810 213 A HN 0.230 nan 8.150 nan 0.000 0.448 214 V N 0.375 120.442 119.914 0.254 0.000 2.343 214 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 214 V C 2.374 178.790 176.094 0.538 0.000 1.051 214 V CA 2.366 64.888 62.300 0.371 0.000 1.036 214 V CB -0.732 31.226 31.823 0.225 0.000 0.654 214 V HN 0.654 nan 8.190 nan 0.000 0.451 215 D N 0.236 120.877 120.400 0.401 0.000 2.097 215 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 215 D C 2.014 178.391 176.300 0.127 0.000 0.984 215 D CA 1.380 55.513 54.000 0.221 0.000 0.826 215 D CB -0.180 40.722 40.800 0.170 0.000 0.973 215 D HN 0.399 nan 8.370 nan 0.000 0.460 216 I N 0.638 121.317 120.570 0.181 0.000 2.264 216 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 216 I C 2.219 178.430 176.117 0.155 0.000 1.111 216 I CA 0.958 62.351 61.300 0.156 0.000 1.382 216 I CB -0.224 37.916 38.000 0.233 0.000 1.060 216 I HN 0.051 nan 8.210 nan 0.000 0.418 217 E N 0.164 120.485 120.200 0.202 0.000 2.072 217 E HA -0.209 4.140 4.350 -0.001 0.000 0.191 217 E C 2.109 178.774 176.600 0.110 0.000 0.985 217 E CA 1.451 57.939 56.400 0.147 0.000 0.801 217 E CB -0.378 29.393 29.700 0.118 0.000 0.750 217 E HN 0.609 nan 8.360 nan 0.000 0.452 218 H N 0.227 119.395 119.070 0.163 0.000 2.389 218 H HA 0.085 4.640 4.556 -0.001 0.000 0.299 218 H C 2.220 177.663 175.328 0.192 0.000 1.081 218 H CA 1.274 57.452 56.048 0.217 0.000 1.345 218 H CB 0.121 30.031 29.762 0.246 0.000 1.393 218 H HN -0.007 nan 8.280 nan 0.000 0.520 219 R N -0.028 120.549 120.500 0.127 0.000 2.092 219 R HA -0.004 4.335 4.340 -0.001 0.000 0.231 219 R C 2.445 178.781 176.300 0.060 0.000 1.119 219 R CA 0.928 57.036 56.100 0.012 0.000 0.970 219 R CB -0.124 30.113 30.300 -0.106 0.000 0.864 219 R HN 0.284 nan 8.270 nan 0.000 0.440 220 A N 1.202 124.057 122.820 0.059 0.000 1.898 220 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 220 A C 2.338 179.972 177.584 0.084 0.000 1.181 220 A CA 1.596 53.645 52.037 0.020 0.000 0.620 220 A CB -0.579 18.446 19.000 0.041 0.000 0.819 220 A HN 0.378 nan 8.150 nan 0.000 0.442 221 A N -1.658 121.257 122.820 0.158 0.000 1.969 221 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 221 A C 2.070 179.807 177.584 0.256 0.000 1.169 221 A CA 1.257 53.409 52.037 0.192 0.000 0.635 221 A CB -0.735 18.367 19.000 0.169 0.000 0.810 221 A HN 0.843 nan 8.150 nan 0.000 0.445 222 W N 0.166 121.528 121.300 0.104 0.000 2.418 222 W HA -0.108 4.551 4.660 -0.001 0.000 0.292 222 W C 1.663 178.096 176.519 -0.144 0.000 1.213 222 W CA 1.603 58.908 57.345 -0.067 0.000 1.283 222 W CB -0.222 29.138 29.460 -0.167 0.000 1.119 222 W HN 0.365 nan 8.180 nan 0.000 0.542 223 L N 1.208 122.482 121.223 0.085 0.000 2.072 223 L HA -0.107 4.232 4.340 -0.001 0.000 0.205 223 L C 2.311 179.081 176.870 -0.166 0.000 1.079 223 L CA 1.893 56.664 54.840 -0.116 0.000 0.752 223 L CB -1.201 40.738 42.059 -0.200 0.000 0.906 223 L HN -0.099 nan 8.230 nan 0.000 0.436 224 L N -0.503 120.683 121.223 -0.062 0.000 2.275 224 L HA -0.086 4.253 4.340 -0.001 0.000 0.215 224 L C 2.586 179.442 176.870 -0.023 0.000 1.119 224 L CA 0.815 55.660 54.840 0.008 0.000 0.790 224 L CB -0.850 41.274 42.059 0.109 0.000 0.919 224 L HN 0.379 nan 8.230 nan 0.000 0.443 225 A N 0.334 123.100 122.820 -0.090 0.000 1.929 225 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 225 A C 2.315 179.778 177.584 -0.202 0.000 1.176 225 A CA 1.707 53.662 52.037 -0.136 0.000 0.628 225 A CB -0.271 18.594 19.000 -0.225 0.000 0.816 225 A HN 0.226 nan 8.150 nan 0.000 0.444 226 K N 0.251 120.470 120.400 -0.302 0.000 2.057 226 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 226 K C 2.160 178.602 176.600 -0.263 0.000 1.050 226 K CA 1.994 58.054 56.287 -0.378 0.000 0.935 226 K CB -0.441 31.714 32.500 -0.575 0.000 0.715 226 K HN 0.565 nan 8.250 nan 0.000 0.439 227 Q N 0.334 120.040 119.800 -0.156 0.000 2.124 227 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 227 Q C 1.634 177.648 176.000 0.022 0.000 0.977 227 Q CA 1.803 57.592 55.803 -0.024 0.000 0.850 227 Q CB -0.014 28.774 28.738 0.084 0.000 0.901 227 Q HN 0.490 nan 8.270 nan 0.000 0.429 228 E N -0.012 120.214 120.200 0.043 0.000 2.072 228 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 228 E C 2.175 178.904 176.600 0.216 0.000 0.985 228 E CA 0.799 57.276 56.400 0.127 0.000 0.801 228 E CB -0.030 29.734 29.700 0.106 0.000 0.750 228 E HN 0.313 nan 8.360 nan 0.000 0.452 229 R N 0.663 121.219 120.500 0.094 0.000 2.120 229 R HA -0.082 4.258 4.340 -0.001 0.000 0.234 229 R C 2.047 178.481 176.300 0.223 0.000 1.123 229 R CA 0.952 57.120 56.100 0.113 0.000 0.975 229 R CB -0.068 30.196 30.300 -0.059 0.000 0.866 229 R HN 0.124 nan 8.270 nan 0.000 0.446 230 N N -0.256 118.486 118.700 0.070 0.000 2.062 230 N HA -0.048 4.691 4.740 -0.001 0.000 0.191 230 N C 0.993 176.679 175.510 0.293 0.000 1.042 230 N CA 1.515 54.588 53.050 0.038 0.000 0.845 230 N CB -0.326 37.971 38.487 -0.316 0.000 1.024 230 N HN 0.325 nan 8.380 nan 0.000 0.424 231 G N -0.165 108.679 108.800 0.072 0.000 2.756 231 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.678 231 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.678 231 G C -1.315 173.645 174.900 0.101 0.000 1.349 231 G CA -0.560 44.425 45.100 -0.192 0.000 0.847 231 G HN 0.202 nan 8.290 nan 0.000 0.548 232 F N 1.939 121.875 119.950 -0.023 0.000 2.403 232 F HA 0.622 5.148 4.527 -0.001 0.000 0.355 232 F C -2.039 173.816 175.800 0.091 0.000 1.119 232 F CA -2.978 55.089 58.000 0.111 0.000 1.007 232 F CB 1.885 41.000 39.000 0.192 0.000 1.194 232 F HN 0.214 nan 8.300 nan 0.000 0.443 233 P HA -0.050 nan 4.420 nan 0.000 0.260 233 P C -1.097 176.354 177.300 0.253 0.000 1.185 233 P CA 0.758 63.999 63.100 0.236 0.000 0.763 233 P CB -0.014 31.785 31.700 0.164 0.000 0.776 234 F N 3.361 123.223 119.950 -0.147 0.000 2.508 234 F HA 0.350 4.876 4.527 -0.001 0.000 0.325 234 F C 0.051 175.577 175.800 -0.456 0.000 1.090 234 F CA -1.017 56.718 58.000 -0.441 0.000 0.945 234 F CB 1.382 40.087 39.000 -0.491 0.000 1.156 234 F HN 0.097 nan 8.300 nan 0.000 0.463 235 D N 3.886 123.453 120.400 -1.390 0.000 2.468 235 D HA 0.159 4.798 4.640 -0.001 0.000 0.218 235 D C 0.891 176.563 176.300 -1.047 0.000 1.155 235 D CA 0.186 53.501 54.000 -1.141 0.000 0.924 235 D CB 1.050 41.098 40.800 -1.254 0.000 1.029 235 D HN 0.666 nan 8.370 nan 0.000 0.515 236 T N 2.518 116.739 114.554 -0.556 0.000 2.708 236 T HA -0.146 4.203 4.350 -0.001 0.000 0.266 236 T C 1.815 176.415 174.700 -0.166 0.000 1.037 236 T CA 0.718 62.686 62.100 -0.221 0.000 1.146 236 T CB 0.191 69.064 68.868 0.009 0.000 0.865 236 T HN 0.244 nan 8.240 nan 0.000 0.435 237 K N 1.360 121.666 120.400 -0.156 0.000 2.032 237 K HA 0.034 4.354 4.320 -0.001 0.000 0.209 237 K C 2.589 179.134 176.600 -0.092 0.000 1.048 237 K CA 1.526 57.760 56.287 -0.089 0.000 0.927 237 K CB -0.844 31.613 32.500 -0.071 0.000 0.712 237 K HN 0.354 nan 8.250 nan 0.000 0.441 238 A N 1.299 124.020 122.820 -0.165 0.000 1.940 238 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 238 A C 2.051 179.595 177.584 -0.067 0.000 1.176 238 A CA 1.332 53.298 52.037 -0.119 0.000 0.631 238 A CB -0.371 18.526 19.000 -0.171 0.000 0.814 238 A HN 0.201 nan 8.150 nan 0.000 0.446 239 I N -0.101 120.400 120.570 -0.116 0.000 2.500 239 I HA -0.125 4.044 4.170 -0.001 0.000 0.252 239 I C 2.149 178.339 176.117 0.120 0.000 1.142 239 I CA 1.086 62.415 61.300 0.047 0.000 1.451 239 I CB -1.511 36.575 38.000 0.143 0.000 1.093 239 I HN 0.464 nan 8.210 nan 0.000 0.430 240 E N 0.810 121.063 120.200 0.088 0.000 2.107 240 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 240 E C 1.916 178.594 176.600 0.130 0.000 0.982 240 E CA 0.888 57.376 56.400 0.146 0.000 0.809 240 E CB 0.038 29.797 29.700 0.099 0.000 0.756 240 E HN 0.550 nan 8.360 nan 0.000 0.459 241 E N 0.556 120.797 120.200 0.070 0.000 2.152 241 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 241 E C 2.044 178.685 176.600 0.068 0.000 0.983 241 E CA 0.388 56.818 56.400 0.050 0.000 0.818 241 E CB 0.026 29.744 29.700 0.029 0.000 0.758 241 E HN 0.084 nan 8.360 nan 0.000 0.467 242 L N 0.453 121.733 121.223 0.095 0.000 2.141 242 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 242 L C 2.178 179.112 176.870 0.107 0.000 1.094 242 L CA 1.535 56.438 54.840 0.105 0.000 0.763 242 L CB -0.499 41.637 42.059 0.129 0.000 0.908 242 L HN 0.113 nan 8.230 nan 0.000 0.437 243 Y N -0.568 119.722 120.300 -0.016 0.000 2.242 243 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 243 Y C 2.310 178.184 175.900 -0.043 0.000 1.137 243 Y CA 1.691 59.766 58.100 -0.042 0.000 1.181 243 Y CB -0.678 37.771 38.460 -0.018 0.000 0.989 243 Y HN 0.031 nan 8.280 nan 0.000 0.527 244 V N 0.609 120.461 119.914 -0.103 0.000 2.358 244 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 244 V C 2.418 178.444 176.094 -0.113 0.000 1.047 244 V CA 2.194 64.383 62.300 -0.185 0.000 1.035 244 V CB -0.612 31.156 31.823 -0.092 0.000 0.658 244 V HN 0.438 nan 8.190 nan 0.000 0.452 245 E N 0.119 120.297 120.200 -0.038 0.000 2.047 245 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 245 E C 2.245 178.824 176.600 -0.034 0.000 0.987 245 E CA 1.280 57.678 56.400 -0.003 0.000 0.799 245 E CB -0.091 29.647 29.700 0.063 0.000 0.752 245 E HN 0.567 nan 8.360 nan 0.000 0.449 246 L N 0.443 121.616 121.223 -0.083 0.000 2.056 246 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 246 L C 2.724 179.522 176.870 -0.120 0.000 1.078 246 L CA 1.070 55.821 54.840 -0.148 0.000 0.749 246 L CB -0.472 41.474 42.059 -0.187 0.000 0.901 246 L HN 0.201 nan 8.230 nan 0.000 0.433 247 A N 0.012 122.746 122.820 -0.143 0.000 1.933 247 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 247 A C 2.513 180.031 177.584 -0.109 0.000 1.175 247 A CA 1.648 53.584 52.037 -0.169 0.000 0.628 247 A CB -0.604 18.185 19.000 -0.351 0.000 0.814 247 A HN 0.403 nan 8.150 nan 0.000 0.444 248 A N -0.356 122.409 122.820 -0.091 0.000 1.898 248 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 248 A C 2.178 179.755 177.584 -0.011 0.000 1.181 248 A CA 1.940 53.951 52.037 -0.045 0.000 0.620 248 A CB -0.374 18.606 19.000 -0.033 0.000 0.819 248 A HN 0.418 nan 8.150 nan 0.000 0.442 249 R N 0.061 120.555 120.500 -0.009 0.000 2.115 249 R HA -0.010 4.330 4.340 -0.001 0.000 0.226 249 R C 2.200 178.516 176.300 0.027 0.000 1.100 249 R CA 1.698 57.811 56.100 0.022 0.000 0.980 249 R CB -0.569 29.752 30.300 0.034 0.000 0.875 249 R HN 0.566 nan 8.270 nan 0.000 0.445 250 R N -0.560 119.925 120.500 -0.024 0.000 2.075 250 R HA -0.016 4.324 4.340 -0.001 0.000 0.232 250 R C 1.904 178.267 176.300 0.105 0.000 1.126 250 R CA 1.804 57.890 56.100 -0.022 0.000 0.963 250 R CB -0.255 29.955 30.300 -0.150 0.000 0.858 250 R HN 0.183 nan 8.270 nan 0.000 0.435 251 S N 0.564 116.296 115.700 0.054 0.000 2.383 251 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 251 S C 1.643 176.293 174.600 0.084 0.000 1.030 251 S CA 1.630 59.870 58.200 0.066 0.000 1.002 251 S CB -0.227 62.987 63.200 0.023 0.000 0.829 251 S HN 0.387 nan 8.310 nan 0.000 0.467 252 E N 1.466 121.711 120.200 0.075 0.000 2.072 252 E HA 0.010 4.359 4.350 -0.001 0.000 0.190 252 E C 1.876 178.540 176.600 0.106 0.000 0.982 252 E CA 0.909 57.354 56.400 0.075 0.000 0.803 252 E CB -0.406 29.329 29.700 0.058 0.000 0.755 252 E HN 0.452 nan 8.360 nan 0.000 0.453 253 L N -0.070 121.245 121.223 0.153 0.000 2.046 253 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 253 L C 2.418 179.407 176.870 0.199 0.000 1.077 253 L CA 0.790 55.753 54.840 0.204 0.000 0.747 253 L CB -0.467 41.790 42.059 0.330 0.000 0.896 253 L HN 0.249 nan 8.230 nan 0.000 0.432 254 L N -0.033 121.326 121.223 0.227 0.000 2.093 254 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 254 L C 2.720 179.668 176.870 0.131 0.000 1.085 254 L CA 1.605 56.545 54.840 0.166 0.000 0.755 254 L CB -0.595 41.584 42.059 0.200 0.000 0.904 254 L HN 0.120 nan 8.230 nan 0.000 0.435 255 R N -0.441 120.123 120.500 0.107 0.000 2.073 255 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 255 R C 2.300 178.638 176.300 0.063 0.000 1.134 255 R CA 1.740 57.885 56.100 0.076 0.000 0.952 255 R CB -0.116 30.218 30.300 0.058 0.000 0.850 255 R HN 0.349 nan 8.270 nan 0.000 0.433 256 K N 0.247 120.684 120.400 0.062 0.000 2.097 256 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 256 K C 2.178 178.788 176.600 0.017 0.000 1.050 256 K CA 1.164 57.468 56.287 0.030 0.000 0.938 256 K CB -0.076 32.443 32.500 0.032 0.000 0.718 256 K HN 0.221 nan 8.250 nan 0.000 0.442 257 L N 0.809 122.087 121.223 0.091 0.000 2.093 257 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 257 L C 2.593 179.557 176.870 0.157 0.000 1.085 257 L CA 1.536 56.473 54.840 0.161 0.000 0.755 257 L CB -0.762 41.505 42.059 0.347 0.000 0.904 257 L HN 0.366 nan 8.230 nan 0.000 0.435 258 T N -3.726 110.938 114.554 0.184 0.000 2.995 258 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 258 T C 1.609 176.343 174.700 0.058 0.000 1.091 258 T CA 0.906 63.112 62.100 0.176 0.000 1.128 258 T CB -0.114 68.851 68.868 0.162 0.000 0.891 258 T HN 0.401 nan 8.240 nan 0.000 0.492 259 E N 1.260 121.463 120.200 0.005 0.000 2.072 259 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 259 E C 1.905 178.432 176.600 -0.121 0.000 0.985 259 E CA 1.502 57.879 56.400 -0.038 0.000 0.801 259 E CB -0.350 29.327 29.700 -0.038 0.000 0.750 259 E HN 0.508 nan 8.360 nan 0.000 0.452 260 T N 0.114 114.520 114.554 -0.247 0.000 2.851 260 T HA -0.012 4.338 4.350 -0.001 0.000 0.262 260 T C 0.067 174.384 174.700 -0.638 0.000 1.043 260 T CA 0.735 62.528 62.100 -0.511 0.000 1.140 260 T CB -0.108 68.293 68.868 -0.778 0.000 0.872 260 T HN 0.024 nan 8.240 nan 0.000 0.446 261 F N 1.813 121.612 119.950 -0.251 0.000 2.325 261 F HA 0.594 5.120 4.527 -0.001 0.000 0.369 261 F C 0.952 176.684 175.800 -0.113 0.000 1.095 261 F CA -1.778 56.017 58.000 -0.341 0.000 1.082 261 F CB 0.443 38.869 39.000 -0.957 0.000 1.289 261 F HN 0.004 nan 8.300 nan 0.000 0.462 262 G N 1.245 110.132 108.800 0.144 0.000 2.634 262 G HA2 0.398 4.357 3.960 -0.001 0.000 0.255 262 G HA3 0.398 4.357 3.960 -0.001 0.000 0.255 262 G C 0.002 175.093 174.900 0.318 0.000 1.205 262 G CA -0.576 44.633 45.100 0.182 0.000 0.884 262 G HN 0.656 nan 8.290 nan 0.000 0.549 263 S N -0.864 114.956 115.700 0.198 0.000 2.608 263 S HA 0.635 5.104 4.470 -0.001 0.000 0.261 263 S C -0.487 174.242 174.600 0.215 0.000 1.314 263 S CA 0.000 58.198 58.200 -0.003 0.000 0.992 263 S CB 0.629 63.657 63.200 -0.287 0.000 0.935 263 S HN 1.182 nan 8.310 nan 0.000 0.564 264 W N -1.701 119.465 121.300 -0.225 0.000 2.959 264 W HA 0.711 5.371 4.660 -0.001 0.000 0.358 264 W C -2.401 174.021 176.519 -0.162 0.000 1.228 264 W CA -1.469 55.838 57.345 -0.063 0.000 1.183 264 W CB 0.350 29.797 29.460 -0.021 0.000 1.467 264 W HN 0.554 nan 8.180 nan 0.000 0.578 265 Y N 1.854 122.317 120.300 0.271 0.000 2.420 265 Y HA 0.569 5.119 4.550 -0.001 0.000 0.334 265 Y C 0.370 176.408 175.900 0.229 0.000 1.094 265 Y CA -0.678 57.523 58.100 0.167 0.000 1.126 265 Y CB 2.089 40.652 38.460 0.172 0.000 1.217 265 Y HN 0.371 nan 8.280 nan 0.000 0.462 266 Q N 3.750 123.723 119.800 0.288 0.000 2.379 266 Q HA 0.364 4.703 4.340 -0.001 0.000 0.278 266 Q C -2.838 173.273 176.000 0.184 0.000 1.068 266 Q CA -2.483 53.464 55.803 0.240 0.000 0.816 266 Q CB 2.954 31.821 28.738 0.214 0.000 1.387 266 Q HN 0.322 nan 8.270 nan 0.000 0.413 267 P HA 0.116 nan 4.420 nan 0.000 0.271 267 P C -1.026 176.332 177.300 0.096 0.000 1.216 267 P CA -0.108 63.059 63.100 0.112 0.000 0.771 267 P CB 0.835 32.585 31.700 0.083 0.000 0.864 268 K N 1.740 122.193 120.400 0.087 0.000 2.575 268 K HA 0.508 4.827 4.320 -0.001 0.000 0.255 268 K C 0.223 176.860 176.600 0.062 0.000 0.953 268 K CA 0.199 56.528 56.287 0.070 0.000 0.840 268 K CB 0.578 33.121 32.500 0.072 0.000 1.303 268 K HN 0.598 nan 8.250 nan 0.000 0.438 269 G N 1.774 110.599 108.800 0.042 0.000 2.218 269 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.216 269 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.216 269 G C 0.469 175.369 174.900 -0.000 0.000 0.994 269 G CA -0.128 44.990 45.100 0.030 0.000 0.637 269 G HN 1.064 nan 8.290 nan 0.000 0.505 270 G N 0.624 109.419 108.800 -0.008 0.000 2.334 270 G HA2 0.506 4.465 3.960 -0.001 0.000 0.261 270 G HA3 0.506 4.465 3.960 -0.001 0.000 0.261 270 G C 1.069 175.955 174.900 -0.023 0.000 1.257 270 G CA 1.320 46.395 45.100 -0.041 0.000 0.935 270 G HN 1.125 nan 8.290 nan 0.000 0.480 271 T N 0.096 114.627 114.554 -0.039 0.000 3.045 271 T HA 0.174 4.523 4.350 -0.001 0.000 0.239 271 T C 0.873 175.566 174.700 -0.013 0.000 1.008 271 T CA 0.058 62.146 62.100 -0.020 0.000 1.143 271 T CB 0.019 68.872 68.868 -0.025 0.000 0.894 271 T HN 0.481 nan 8.240 nan 0.000 0.451 272 E N 1.032 121.217 120.200 -0.025 0.000 2.383 272 E HA 0.346 4.695 4.350 -0.001 0.000 0.264 272 E C -0.512 176.104 176.600 0.025 0.000 1.050 272 E CA -0.506 55.889 56.400 -0.008 0.000 0.896 272 E CB 0.634 30.320 29.700 -0.024 0.000 0.982 272 E HN 0.275 nan 8.360 nan 0.000 0.424 273 M N 4.482 124.101 119.600 0.031 0.000 2.211 273 M HA 0.227 4.706 4.480 -0.001 0.000 0.356 273 M C -1.297 175.052 176.300 0.083 0.000 1.216 273 M CA -0.164 55.170 55.300 0.058 0.000 1.134 273 M CB 0.442 33.058 32.600 0.027 0.000 1.564 273 M HN 0.399 nan 8.290 nan 0.000 0.463 274 F N 5.695 125.635 119.950 -0.017 0.000 2.420 274 F HA 0.514 5.041 4.527 -0.001 0.000 0.352 274 F C -1.007 174.760 175.800 -0.055 0.000 1.108 274 F CA -0.616 57.352 58.000 -0.052 0.000 1.162 274 F CB 0.328 39.282 39.000 -0.076 0.000 1.118 274 F HN 0.630 nan 8.300 nan 0.000 0.510 275 C N 5.492 124.284 119.300 -0.847 0.000 2.493 275 C HA 0.286 4.745 4.460 -0.001 0.000 0.326 275 C C -0.081 174.417 174.990 -0.820 0.000 1.200 275 C CA -0.887 57.759 59.018 -0.620 0.000 1.739 275 C CB 0.839 28.400 27.740 -0.298 0.000 2.300 275 C HN 0.876 nan 8.230 nan 0.000 0.500 276 H N 2.423 121.178 119.070 -0.525 0.000 3.046 276 H HA 0.053 4.608 4.556 -0.001 0.000 0.303 276 H C -1.556 173.609 175.328 -0.271 0.000 1.002 276 H CA -0.690 55.143 56.048 -0.359 0.000 1.460 276 H CB 0.866 30.526 29.762 -0.171 0.000 1.493 276 H HN 0.437 nan 8.280 nan 0.000 0.559 277 P HA -0.160 nan 4.420 nan 0.000 0.215 277 P C 1.509 178.817 177.300 0.013 0.000 1.157 277 P CA 1.077 64.186 63.100 0.015 0.000 0.863 277 P CB 0.188 31.919 31.700 0.051 0.000 0.787 278 R N -0.673 119.862 120.500 0.059 0.000 2.082 278 R HA -0.085 4.254 4.340 -0.001 0.000 0.228 278 R C 1.653 177.812 176.300 -0.236 0.000 1.140 278 R CA 2.330 58.368 56.100 -0.103 0.000 0.920 278 R CB -1.009 29.215 30.300 -0.126 0.000 0.828 278 R HN 0.113 nan 8.270 nan 0.000 0.430 279 T N -2.013 112.230 114.554 -0.519 0.000 2.975 279 T HA 0.201 4.551 4.350 -0.001 0.000 0.220 279 T C 1.210 175.793 174.700 -0.196 0.000 1.011 279 T CA 0.945 62.821 62.100 -0.374 0.000 1.880 279 T CB -0.241 68.329 68.868 -0.496 0.000 1.348 279 T HN 0.603 nan 8.240 nan 0.000 0.415 280 G N 0.616 109.332 108.800 -0.140 0.000 4.226 280 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.220 280 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.220 280 G C -0.024 174.839 174.900 -0.062 0.000 0.817 280 G CA -0.124 44.923 45.100 -0.087 0.000 0.879 280 G HN 0.669 nan 8.290 nan 0.000 0.669 281 K N 1.147 121.528 120.400 -0.032 0.000 2.436 281 K HA 0.444 4.763 4.320 -0.001 0.000 0.275 281 K C -2.790 173.801 176.600 -0.016 0.000 0.999 281 K CA -1.071 55.211 56.287 -0.010 0.000 0.980 281 K CB 0.701 33.213 32.500 0.020 0.000 0.919 281 K HN -0.037 nan 8.250 nan 0.000 0.484 282 P HA 0.031 nan 4.420 nan 0.000 0.271 282 P C -0.967 176.349 177.300 0.027 0.000 1.216 282 P CA -0.049 63.039 63.100 -0.020 0.000 0.771 282 P CB 0.495 32.194 31.700 -0.003 0.000 0.864 283 L N 6.581 127.833 121.223 0.049 0.000 2.360 283 L HA 0.277 4.616 4.340 -0.001 0.000 0.265 283 L C -1.592 175.404 176.870 0.211 0.000 1.066 283 L CA -1.573 53.366 54.840 0.166 0.000 0.929 283 L CB 1.287 43.495 42.059 0.248 0.000 1.306 283 L HN 0.270 nan 8.230 nan 0.000 0.434 284 P HA -0.145 nan 4.420 nan 0.000 0.222 284 P C 1.537 178.904 177.300 0.113 0.000 1.147 284 P CA 0.962 64.129 63.100 0.111 0.000 0.790 284 P CB 0.279 32.021 31.700 0.071 0.000 0.780 285 K N -1.456 119.019 120.400 0.126 0.000 2.243 285 K HA -0.024 4.295 4.320 -0.001 0.000 0.201 285 K C 0.735 177.357 176.600 0.038 0.000 1.051 285 K CA 0.698 57.019 56.287 0.056 0.000 0.970 285 K CB -1.478 31.026 32.500 0.005 0.000 0.755 285 K HN 0.134 nan 8.250 nan 0.000 0.465 286 Y N 0.928 121.269 120.300 0.068 0.000 2.379 286 Y HA 0.261 4.810 4.550 -0.001 0.000 0.337 286 Y C -1.884 174.036 175.900 0.032 0.000 1.238 286 Y CA -2.255 55.871 58.100 0.045 0.000 1.405 286 Y CB 0.738 39.262 38.460 0.107 0.000 1.310 286 Y HN 0.074 nan 8.280 nan 0.000 0.569 287 P HA 0.058 nan 4.420 nan 0.000 0.269 287 P C -0.737 176.616 177.300 0.089 0.000 1.209 287 P CA -0.212 62.941 63.100 0.087 0.000 0.776 287 P CB 0.543 32.275 31.700 0.053 0.000 0.876 288 R N 2.414 122.953 120.500 0.065 0.000 2.590 288 R HA 0.207 4.546 4.340 -0.001 0.000 0.274 288 R C 0.753 177.049 176.300 -0.007 0.000 1.061 288 R CA -0.020 56.109 56.100 0.050 0.000 1.081 288 R CB -0.335 29.982 30.300 0.028 0.000 0.984 288 R HN 0.568 nan 8.270 nan 0.000 0.448 289 I N -1.252 119.311 120.570 -0.011 0.000 3.830 289 I HA 0.521 4.691 4.170 -0.001 0.000 0.272 289 I C 0.014 175.995 176.117 -0.226 0.000 1.333 289 I CA -0.890 60.340 61.300 -0.116 0.000 1.006 289 I CB 1.112 39.104 38.000 -0.013 0.000 1.472 289 I HN 0.090 nan 8.210 nan 0.000 0.604 290 K N 1.188 121.346 120.400 -0.402 0.000 2.616 290 K HA 0.330 4.649 4.320 -0.001 0.000 0.255 290 K C -1.746 174.653 176.600 -0.335 0.000 0.995 290 K CA -0.301 55.720 56.287 -0.442 0.000 0.860 290 K CB 1.992 34.048 32.500 -0.741 0.000 1.264 290 K HN 0.850 nan 8.250 nan 0.000 0.451 291 T N 6.411 120.892 114.554 -0.123 0.000 2.781 291 T HA 0.358 4.708 4.350 -0.001 0.000 0.305 291 T C -2.094 172.603 174.700 -0.005 0.000 1.001 291 T CA -1.119 60.973 62.100 -0.014 0.000 0.950 291 T CB 1.122 69.993 68.868 0.005 0.000 0.955 291 T HN 0.369 nan 8.240 nan 0.000 0.471 292 P HA 0.323 nan 4.420 nan 0.000 0.273 292 P C 0.170 177.479 177.300 0.016 0.000 1.250 292 P CA -0.446 62.648 63.100 -0.010 0.000 0.793 292 P CB 0.605 32.276 31.700 -0.049 0.000 1.011 320 Y N 0.490 120.751 120.300 -0.065 0.000 2.602 320 Y HA 0.696 5.245 4.550 -0.001 0.000 0.330 320 Y C 0.031 175.922 175.900 -0.016 0.000 1.114 320 Y CA -1.103 56.961 58.100 -0.060 0.000 1.182 320 Y CB 1.977 40.410 38.460 -0.046 0.000 1.305 320 Y HN -0.107 nan 8.280 nan 0.000 0.502 321 V N 1.336 121.370 119.914 0.200 0.000 2.577 321 V HA 0.575 4.694 4.120 -0.001 0.000 0.303 321 V C -0.483 175.683 176.094 0.120 0.000 1.042 321 V CA -1.505 60.866 62.300 0.118 0.000 0.872 321 V CB 1.434 33.303 31.823 0.078 0.000 0.998 321 V HN 0.914 nan 8.190 nan 0.000 0.423 322 A N 3.508 126.381 122.820 0.087 0.000 2.561 322 A HA 0.499 4.818 4.320 -0.001 0.000 0.251 322 A C 1.540 179.162 177.584 0.063 0.000 1.062 322 A CA 1.126 53.204 52.037 0.068 0.000 0.761 322 A CB -0.643 18.386 19.000 0.048 0.000 0.986 322 A HN 2.271 nan 8.150 nan 0.000 0.510 323 G N 1.425 110.264 108.800 0.065 0.000 2.279 323 G HA2 0.129 4.088 3.960 -0.001 0.000 0.223 323 G HA3 0.129 4.088 3.960 -0.001 0.000 0.223 323 G C 0.628 175.577 174.900 0.082 0.000 1.015 323 G CA 0.207 45.343 45.100 0.059 0.000 0.621 323 G HN 2.244 nan 8.290 nan 0.000 0.506 324 A N 3.034 125.920 122.820 0.109 0.000 2.457 324 A HA 0.640 4.959 4.320 -0.001 0.000 0.298 324 A C -1.092 176.611 177.584 0.199 0.000 1.288 324 A CA -0.465 51.654 52.037 0.137 0.000 0.956 324 A CB 0.081 19.161 19.000 0.134 0.000 1.135 324 A HN 0.362 nan 8.150 nan 0.000 0.535 325 P HA 0.341 nan 4.420 nan 0.000 0.272 325 P C -1.119 176.328 177.300 0.244 0.000 1.223 325 P CA 0.361 63.561 63.100 0.166 0.000 0.784 325 P CB 0.482 32.272 31.700 0.150 0.000 0.923 326 Y N -2.830 117.501 120.300 0.052 0.000 2.558 326 Y HA 0.464 5.013 4.550 -0.001 0.000 0.333 326 Y C -1.189 174.725 175.900 0.023 0.000 1.125 326 Y CA -1.025 57.100 58.100 0.042 0.000 1.039 326 Y CB 0.278 38.800 38.460 0.104 0.000 1.331 326 Y HN 0.137 nan 8.280 nan 0.000 0.456 327 T N 5.377 119.968 114.554 0.062 0.000 2.727 327 T HA 0.395 4.745 4.350 -0.001 0.000 0.298 327 T C -2.686 172.091 174.700 0.127 0.000 0.942 327 T CA -1.138 60.957 62.100 -0.009 0.000 0.997 327 T CB 0.575 69.446 68.868 0.004 0.000 0.917 327 T HN 0.375 nan 8.240 nan 0.000 0.487 328 P HA 0.294 nan 4.420 nan 0.000 0.271 328 P C -0.678 176.718 177.300 0.160 0.000 1.220 328 P CA -0.434 62.782 63.100 0.194 0.000 0.768 328 P CB 0.583 32.337 31.700 0.091 0.000 0.848 329 V N 0.314 120.347 119.914 0.198 0.000 3.040 329 V HA 0.760 4.879 4.120 -0.001 0.000 0.312 329 V C -0.567 175.680 176.094 0.255 0.000 1.115 329 V CA -1.190 61.240 62.300 0.217 0.000 0.998 329 V CB 2.284 34.253 31.823 0.244 0.000 1.042 329 V HN 0.599 nan 8.190 nan 0.000 0.433 330 E N 1.304 121.649 120.200 0.242 0.000 2.256 330 E HA 0.477 4.827 4.350 -0.001 0.000 0.267 330 E C -1.141 175.498 176.600 0.065 0.000 0.892 330 E CA -0.799 55.696 56.400 0.158 0.000 0.775 330 E CB 2.236 31.972 29.700 0.060 0.000 1.207 330 E HN 0.923 nan 8.360 nan 0.000 0.420 331 H N 2.156 121.086 119.070 -0.233 0.000 2.517 331 H HA 0.363 4.918 4.556 -0.001 0.000 0.317 331 H C -1.330 173.693 175.328 -0.508 0.000 1.080 331 H CA -0.800 54.833 56.048 -0.692 0.000 1.301 331 H CB 1.764 31.123 29.762 -0.672 0.000 1.425 331 H HN 0.360 nan 8.280 nan 0.000 0.471 332 V N 6.921 126.198 119.914 -1.062 0.000 2.487 332 V HA 0.316 4.435 4.120 -0.001 0.000 0.298 332 V C -1.000 174.330 176.094 -1.273 0.000 1.028 332 V CA -0.534 61.154 62.300 -1.019 0.000 0.860 332 V CB 1.407 32.669 31.823 -0.936 0.000 0.991 332 V HN 0.518 nan 8.190 nan 0.000 0.427 333 V N 7.232 126.691 119.914 -0.758 0.000 2.567 333 V HA 0.341 4.460 4.120 -0.001 0.000 0.289 333 V C 0.233 176.143 176.094 -0.306 0.000 1.049 333 V CA -0.542 61.469 62.300 -0.481 0.000 0.969 333 V CB 1.377 33.069 31.823 -0.220 0.000 0.995 333 V HN 0.857 nan 8.190 nan 0.000 0.471 334 F N 4.883 124.712 119.950 -0.202 0.000 2.623 334 F HA 0.133 4.659 4.527 -0.001 0.000 0.383 334 F C 0.443 176.331 175.800 0.147 0.000 1.077 334 F CA 0.406 58.466 58.000 0.101 0.000 1.268 334 F CB 0.101 39.236 39.000 0.226 0.000 1.053 334 F HN 0.587 nan 8.300 nan 0.000 0.571 335 N N 7.583 126.042 118.700 -0.401 0.000 2.531 335 N HA 0.374 5.113 4.740 -0.001 0.000 0.268 335 N C -2.411 172.571 175.510 -0.881 0.000 1.023 335 N CA -2.303 50.451 53.050 -0.493 0.000 0.896 335 N CB 1.957 40.282 38.487 -0.269 0.000 1.233 335 N HN 0.176 nan 8.380 nan 0.000 0.512 336 P HA 0.044 nan 4.420 nan 0.000 0.226 336 P C 0.722 177.803 177.300 -0.366 0.000 1.153 336 P CA 0.767 63.406 63.100 -0.769 0.000 0.777 336 P CB 0.497 31.574 31.700 -1.038 0.000 0.794 337 S N -1.410 114.154 115.700 -0.226 0.000 2.527 337 S HA 0.033 4.502 4.470 -0.001 0.000 0.222 337 S C 1.081 175.609 174.600 -0.120 0.000 0.985 337 S CA 0.207 58.392 58.200 -0.025 0.000 0.921 337 S CB -0.429 62.814 63.200 0.071 0.000 0.772 337 S HN 0.155 nan 8.310 nan 0.000 0.529 338 S N 0.611 116.164 115.700 -0.246 0.000 2.632 338 S HA 0.329 4.798 4.470 -0.001 0.000 0.271 338 S C 0.921 175.425 174.600 -0.160 0.000 1.260 338 S CA -0.660 57.382 58.200 -0.264 0.000 1.010 338 S CB 0.528 63.394 63.200 -0.557 0.000 0.965 338 S HN 0.139 nan 8.310 nan 0.000 0.534 339 R N 2.169 122.615 120.500 -0.090 0.000 2.365 339 R HA 0.192 4.531 4.340 -0.001 0.000 0.223 339 R C 0.649 176.961 176.300 0.020 0.000 0.899 339 R CA 0.322 56.407 56.100 -0.026 0.000 1.059 339 R CB -0.659 29.638 30.300 -0.005 0.000 1.086 339 R HN 0.668 nan 8.270 nan 0.000 0.522 340 D N -0.133 120.275 120.400 0.013 0.000 2.149 340 D HA -0.016 4.623 4.640 -0.001 0.000 0.206 340 D C 1.652 178.071 176.300 0.199 0.000 0.967 340 D CA 0.910 54.968 54.000 0.096 0.000 0.848 340 D CB 0.209 41.070 40.800 0.102 0.000 0.998 340 D HN 0.354 nan 8.370 nan 0.000 0.474 341 H N -0.134 118.982 119.070 0.075 0.000 2.319 341 H HA -0.075 4.480 4.556 -0.001 0.000 0.299 341 H C 2.128 177.534 175.328 0.130 0.000 1.092 341 H CA 0.740 56.882 56.048 0.157 0.000 1.302 341 H CB 0.115 29.975 29.762 0.163 0.000 1.373 341 H HN 0.171 nan 8.280 nan 0.000 0.497 342 I N 0.872 121.563 120.570 0.202 0.000 2.226 342 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 342 I C 2.851 178.979 176.117 0.017 0.000 1.100 342 I CA 1.100 62.445 61.300 0.075 0.000 1.374 342 I CB -0.304 37.699 38.000 0.006 0.000 1.057 342 I HN 0.352 nan 8.210 nan 0.000 0.413 343 Q N 2.090 121.954 119.800 0.107 0.000 2.084 343 Q HA -0.265 4.074 4.340 -0.001 0.000 0.202 343 Q C 2.106 178.194 176.000 0.148 0.000 0.978 343 Q CA 1.857 57.805 55.803 0.241 0.000 0.844 343 Q CB -0.177 28.688 28.738 0.211 0.000 0.898 343 Q HN 0.477 nan 8.270 nan 0.000 0.426 344 K N 0.079 120.498 120.400 0.031 0.000 1.973 344 K HA -0.160 4.159 4.320 -0.001 0.000 0.212 344 K C 2.135 178.645 176.600 -0.150 0.000 1.047 344 K CA 1.383 57.613 56.287 -0.096 0.000 0.937 344 K CB -0.011 32.351 32.500 -0.229 0.000 0.721 344 K HN -0.012 nan 8.250 nan 0.000 0.440 345 K N 0.931 121.188 120.400 -0.238 0.000 2.063 345 K HA -0.125 4.195 4.320 -0.001 0.000 0.208 345 K C 2.190 178.699 176.600 -0.153 0.000 1.048 345 K CA 1.204 57.297 56.287 -0.322 0.000 0.928 345 K CB -0.376 31.641 32.500 -0.805 0.000 0.713 345 K HN 0.306 nan 8.250 nan 0.000 0.442 346 L N 0.765 121.941 121.223 -0.078 0.000 2.156 346 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 346 L C 2.475 179.498 176.870 0.256 0.000 1.095 346 L CA 1.008 55.898 54.840 0.085 0.000 0.770 346 L CB -0.293 41.772 42.059 0.010 0.000 0.914 346 L HN 0.243 nan 8.230 nan 0.000 0.439 347 Q N -0.139 119.802 119.800 0.236 0.000 2.245 347 Q HA -0.151 4.188 4.340 -0.001 0.000 0.201 347 Q C 1.706 177.737 176.000 0.052 0.000 0.955 347 Q CA 0.891 56.775 55.803 0.135 0.000 0.870 347 Q CB 0.127 28.881 28.738 0.026 0.000 0.945 347 Q HN 0.538 nan 8.270 nan 0.000 0.461 348 E N 0.058 120.266 120.200 0.014 0.000 2.418 348 E HA -0.054 4.295 4.350 -0.001 0.000 0.197 348 E C 1.056 177.671 176.600 0.026 0.000 1.026 348 E CA 0.523 56.916 56.400 -0.012 0.000 0.862 348 E CB 0.210 29.871 29.700 -0.065 0.000 0.799 348 E HN 0.228 nan 8.360 nan 0.000 0.518 349 A N -0.218 122.642 122.820 0.067 0.000 2.390 349 A HA 0.431 4.750 4.320 -0.001 0.000 0.232 349 A C 1.501 179.140 177.584 0.091 0.000 1.233 349 A CA 0.534 52.620 52.037 0.083 0.000 0.907 349 A CB 0.334 19.404 19.000 0.117 0.000 0.967 349 A HN 0.277 nan 8.150 nan 0.000 0.512 350 G N -1.907 106.951 108.800 0.096 0.000 2.218 350 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.216 350 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.216 350 G C -0.021 174.966 174.900 0.146 0.000 0.994 350 G CA -0.085 45.071 45.100 0.093 0.000 0.637 350 G HN 0.839 nan 8.290 nan 0.000 0.505 351 W N 2.347 123.642 121.300 -0.008 0.000 2.264 351 W HA 0.490 5.149 4.660 -0.001 0.000 0.331 351 W C -0.089 176.425 176.519 -0.008 0.000 1.364 351 W CA -0.289 57.050 57.345 -0.010 0.000 1.253 351 W CB 0.727 30.175 29.460 -0.021 0.000 1.215 351 W HN 0.310 nan 8.180 nan 0.000 0.561 352 V N 9.922 129.624 119.914 -0.352 0.000 2.293 352 V HA 0.219 4.338 4.120 -0.001 0.000 0.275 352 V C -1.802 173.838 176.094 -0.757 0.000 1.021 352 V CA -1.972 60.050 62.300 -0.463 0.000 0.815 352 V CB 0.861 32.590 31.823 -0.156 0.000 1.025 352 V HN 0.459 nan 8.190 nan 0.000 0.448 353 P HA 0.166 nan 4.420 nan 0.000 0.265 353 P C 0.736 177.818 177.300 -0.363 0.000 1.193 353 P CA 0.373 62.879 63.100 -0.991 0.000 0.765 353 P CB 0.854 31.808 31.700 -1.243 0.000 0.823 354 T N 1.674 116.124 114.554 -0.174 0.000 2.980 354 T HA 0.024 4.374 4.350 -0.001 0.000 0.239 354 T C 0.496 175.223 174.700 0.046 0.000 1.011 354 T CA 0.638 62.745 62.100 0.011 0.000 1.171 354 T CB -0.046 68.857 68.868 0.058 0.000 0.873 354 T HN 0.453 nan 8.240 nan 0.000 0.431 355 K N 0.739 121.104 120.400 -0.059 0.000 2.130 355 K HA 0.552 4.871 4.320 -0.001 0.000 0.268 355 K C -1.531 174.946 176.600 -0.205 0.000 0.983 355 K CA -0.668 55.620 56.287 0.002 0.000 0.893 355 K CB 1.003 33.525 32.500 0.036 0.000 1.066 355 K HN 0.155 nan 8.250 nan 0.000 0.450 356 Y N -0.101 120.210 120.300 0.018 0.000 2.659 356 Y HA 0.339 4.888 4.550 -0.001 0.000 0.333 356 Y C 0.302 176.215 175.900 0.022 0.000 1.064 356 Y CA -0.956 57.152 58.100 0.013 0.000 1.141 356 Y CB 2.029 40.482 38.460 -0.012 0.000 1.316 356 Y HN 0.782 nan 8.280 nan 0.000 0.509 357 T N -2.342 112.324 114.554 0.186 0.000 2.929 357 T HA 0.318 4.668 4.350 -0.001 0.000 0.284 357 T C -0.578 174.180 174.700 0.097 0.000 1.014 357 T CA -1.048 61.118 62.100 0.110 0.000 1.051 357 T CB 0.975 69.891 68.868 0.080 0.000 1.028 357 T HN 0.446 nan 8.240 nan 0.000 0.485 358 D N 2.013 122.452 120.400 0.066 0.000 2.489 358 D HA 0.173 4.812 4.640 -0.001 0.000 0.237 358 D C 0.629 176.952 176.300 0.039 0.000 1.212 358 D CA 0.300 54.328 54.000 0.046 0.000 1.058 358 D CB 0.458 41.279 40.800 0.035 0.000 1.098 358 D HN 0.741 nan 8.370 nan 0.000 0.509 359 K N -0.051 120.373 120.400 0.041 0.000 2.804 359 K HA 0.055 4.374 4.320 -0.001 0.000 0.187 359 K C 0.213 176.833 176.600 0.033 0.000 2.305 359 K CA 0.377 56.684 56.287 0.034 0.000 1.426 359 K CB 0.411 32.934 32.500 0.038 0.000 2.580 359 K HN 0.289 nan 8.250 nan 0.000 0.527 360 G N 1.343 110.176 108.800 0.054 0.000 2.596 360 G HA2 0.392 4.351 3.960 -0.001 0.000 0.233 360 G HA3 0.392 4.351 3.960 -0.001 0.000 0.233 360 G C -0.978 173.977 174.900 0.092 0.000 2.234 360 G CA -0.043 45.090 45.100 0.055 0.000 0.878 360 G HN 0.586 nan 8.290 nan 0.000 0.491 361 A N 1.013 123.921 122.820 0.145 0.000 2.512 361 A HA 0.904 5.224 4.320 -0.001 0.000 0.294 361 A C -2.978 174.697 177.584 0.152 0.000 1.054 361 A CA -1.154 50.967 52.037 0.139 0.000 0.756 361 A CB 2.446 21.497 19.000 0.086 0.000 1.293 361 A HN 0.274 nan 8.150 nan 0.000 0.395 362 P HA 0.207 nan 4.420 nan 0.000 0.269 362 P C -0.034 177.242 177.300 -0.041 0.000 1.209 362 P CA 0.144 63.112 63.100 -0.221 0.000 0.776 362 P CB 0.879 32.349 31.700 -0.383 0.000 0.876 363 V N 4.006 123.883 119.914 -0.062 0.000 2.446 363 V HA -0.009 4.110 4.120 -0.001 0.000 0.276 363 V C 0.796 176.940 176.094 0.082 0.000 1.030 363 V CA 0.328 62.644 62.300 0.026 0.000 1.033 363 V CB 0.634 32.470 31.823 0.021 0.000 0.993 363 V HN 0.262 nan 8.190 nan 0.000 0.477 364 V N 5.733 125.687 119.914 0.065 0.000 2.225 364 V HA 0.338 4.457 4.120 -0.001 0.000 0.264 364 V C -0.244 175.850 176.094 0.000 0.000 1.067 364 V CA -0.693 61.628 62.300 0.035 0.000 0.903 364 V CB 0.594 32.441 31.823 0.040 0.000 1.136 364 V HN 1.043 nan 8.190 nan 0.000 0.456 365 D N -0.128 120.270 120.400 -0.004 0.000 2.654 365 D HA 0.262 4.901 4.640 -0.001 0.000 0.255 365 D C 0.754 177.043 176.300 -0.017 0.000 1.101 365 D CA -0.834 53.164 54.000 -0.003 0.000 1.116 365 D CB 1.077 41.884 40.800 0.012 0.000 1.348 365 D HN 0.056 nan 8.370 nan 0.000 0.609 366 D N -1.007 119.390 120.400 -0.005 0.000 2.221 366 D HA -0.146 4.493 4.640 -0.001 0.000 0.204 366 D C 1.388 177.681 176.300 -0.011 0.000 0.982 366 D CA 1.275 55.270 54.000 -0.007 0.000 0.857 366 D CB 0.290 41.095 40.800 0.008 0.000 0.934 366 D HN 0.477 nan 8.370 nan 0.000 0.475 367 E N -0.430 119.769 120.200 -0.001 0.000 2.031 367 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 367 E C 2.435 179.031 176.600 -0.006 0.000 0.994 367 E CA 1.520 57.923 56.400 0.005 0.000 0.800 367 E CB -0.101 29.610 29.700 0.019 0.000 0.752 367 E HN 0.363 nan 8.360 nan 0.000 0.447 368 V N -0.301 119.606 119.914 -0.012 0.000 2.358 368 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 368 V C 2.196 178.213 176.094 -0.128 0.000 1.047 368 V CA 1.305 63.590 62.300 -0.024 0.000 1.035 368 V CB -0.740 31.100 31.823 0.029 0.000 0.658 368 V HN 0.177 nan 8.190 nan 0.000 0.452 369 L N 0.240 121.372 121.223 -0.151 0.000 2.042 369 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 369 L C 2.841 179.633 176.870 -0.129 0.000 1.076 369 L CA 2.253 56.977 54.840 -0.193 0.000 0.749 369 L CB -0.672 41.309 42.059 -0.130 0.000 0.893 369 L HN 0.452 nan 8.230 nan 0.000 0.432 370 E N 0.455 120.613 120.200 -0.071 0.000 2.204 370 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 370 E C 1.872 178.449 176.600 -0.039 0.000 0.989 370 E CA 1.281 57.656 56.400 -0.041 0.000 0.824 370 E CB -0.111 29.579 29.700 -0.017 0.000 0.756 370 E HN 0.335 nan 8.360 nan 0.000 0.477 371 G N -0.622 108.151 108.800 -0.045 0.000 3.020 371 G HA2 0.101 4.060 3.960 -0.001 0.000 0.217 371 G HA3 0.101 4.060 3.960 -0.001 0.000 0.217 371 G C 0.050 174.931 174.900 -0.032 0.000 1.144 371 G CA -0.059 45.030 45.100 -0.019 0.000 0.760 371 G HN 0.087 nan 8.290 nan 0.000 0.548 372 V N 2.123 121.958 119.914 -0.132 0.000 2.585 372 V HA 0.280 4.400 4.120 -0.001 0.000 0.296 372 V C -0.069 175.968 176.094 -0.095 0.000 1.035 372 V CA 0.048 62.214 62.300 -0.224 0.000 1.084 372 V CB 0.767 32.229 31.823 -0.601 0.000 0.953 372 V HN 0.178 nan 8.190 nan 0.000 0.483 373 R N 3.868 124.369 120.500 0.003 0.000 2.502 373 R HA 0.596 4.935 4.340 -0.001 0.000 0.300 373 R C -0.487 175.853 176.300 0.067 0.000 0.984 373 R CA -0.355 55.763 56.100 0.030 0.000 0.882 373 R CB 1.716 32.044 30.300 0.046 0.000 1.180 373 R HN 0.625 nan 8.270 nan 0.000 0.444 374 V N -1.178 118.764 119.914 0.046 0.000 3.485 374 V HA 0.550 4.669 4.120 -0.001 0.000 0.293 374 V C 0.407 176.527 176.094 0.043 0.000 1.253 374 V CA -0.382 61.956 62.300 0.064 0.000 0.991 374 V CB 1.576 33.438 31.823 0.065 0.000 1.252 374 V HN 0.514 nan 8.190 nan 0.000 0.473 375 D N -0.686 119.736 120.400 0.037 0.000 2.716 375 D HA 0.113 4.752 4.640 -0.001 0.000 0.273 375 D C -0.056 176.251 176.300 0.011 0.000 1.024 375 D CA 0.559 54.572 54.000 0.023 0.000 0.944 375 D CB 0.319 41.132 40.800 0.023 0.000 1.186 375 D HN 0.755 nan 8.370 nan 0.000 0.485 376 D N 2.582 122.987 120.400 0.008 0.000 2.412 376 D HA -0.026 4.613 4.640 -0.001 0.000 0.257 376 D C -1.250 175.040 176.300 -0.016 0.000 1.217 376 D CA -1.140 52.855 54.000 -0.009 0.000 0.897 376 D CB 1.456 42.245 40.800 -0.018 0.000 1.132 376 D HN -0.021 nan 8.370 nan 0.000 0.493 377 P HA -0.194 nan 4.420 nan 0.000 0.218 377 P C 1.104 178.382 177.300 -0.037 0.000 1.148 377 P CA 1.018 64.105 63.100 -0.022 0.000 0.822 377 P CB 0.303 31.992 31.700 -0.019 0.000 0.784 378 E N 0.694 120.858 120.200 -0.060 0.000 2.072 378 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 378 E C 2.017 178.540 176.600 -0.127 0.000 0.985 378 E CA 1.069 57.411 56.400 -0.096 0.000 0.801 378 E CB -0.099 29.526 29.700 -0.125 0.000 0.750 378 E HN 0.167 nan 8.360 nan 0.000 0.452 379 K N 0.044 120.372 120.400 -0.120 0.000 2.155 379 K HA -0.170 4.149 4.320 -0.001 0.000 0.203 379 K C 2.262 178.873 176.600 0.019 0.000 1.052 379 K CA 1.157 57.391 56.287 -0.087 0.000 0.948 379 K CB -0.054 32.443 32.500 -0.005 0.000 0.728 379 K HN 0.021 nan 8.250 nan 0.000 0.448 380 Q N 1.125 120.926 119.800 0.001 0.000 2.119 380 Q HA -0.074 4.265 4.340 -0.001 0.000 0.201 380 Q C 1.754 177.756 176.000 0.003 0.000 0.972 380 Q CA 1.775 57.581 55.803 0.005 0.000 0.847 380 Q CB -0.152 28.586 28.738 -0.001 0.000 0.903 380 Q HN 0.282 nan 8.270 nan 0.000 0.433 381 A N -0.099 122.716 122.820 -0.008 0.000 1.968 381 A HA 0.160 4.479 4.320 -0.001 0.000 0.217 381 A C 2.207 179.798 177.584 0.012 0.000 1.169 381 A CA 1.252 53.286 52.037 -0.004 0.000 0.638 381 A CB -0.827 18.162 19.000 -0.018 0.000 0.812 381 A HN 0.480 nan 8.150 nan 0.000 0.446 382 A N 0.100 122.925 122.820 0.009 0.000 2.015 382 A HA -0.020 4.299 4.320 -0.001 0.000 0.219 382 A C 1.969 179.634 177.584 0.135 0.000 1.163 382 A CA 1.251 53.324 52.037 0.061 0.000 0.646 382 A CB -0.597 18.407 19.000 0.007 0.000 0.806 382 A HN 0.505 nan 8.150 nan 0.000 0.448 383 I N -0.101 120.527 120.570 0.096 0.000 2.361 383 I HA -0.236 3.933 4.170 -0.001 0.000 0.251 383 I C 1.642 177.786 176.117 0.044 0.000 1.133 383 I CA 1.419 62.750 61.300 0.053 0.000 1.413 383 I CB -0.367 37.623 38.000 -0.017 0.000 1.073 383 I HN 0.338 nan 8.210 nan 0.000 0.424 384 D N 0.726 121.153 120.400 0.044 0.000 2.183 384 D HA -0.068 4.572 4.640 -0.001 0.000 0.203 384 D C 2.358 178.704 176.300 0.076 0.000 0.969 384 D CA 1.058 55.085 54.000 0.046 0.000 0.842 384 D CB 0.115 40.936 40.800 0.034 0.000 0.957 384 D HN 0.364 nan 8.370 nan 0.000 0.484 385 L N 0.679 121.958 121.223 0.094 0.000 2.141 385 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 385 L C 2.524 179.495 176.870 0.168 0.000 1.094 385 L CA 0.590 55.506 54.840 0.127 0.000 0.763 385 L CB -0.302 41.831 42.059 0.124 0.000 0.908 385 L HN -0.011 nan 8.230 nan 0.000 0.437 386 I N -0.060 120.600 120.570 0.150 0.000 2.202 386 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 386 I C 2.571 178.771 176.117 0.139 0.000 1.091 386 I CA 1.318 62.702 61.300 0.141 0.000 1.368 386 I CB -0.276 37.791 38.000 0.111 0.000 1.058 386 I HN 0.190 nan 8.210 nan 0.000 0.410 387 K N 0.466 120.922 120.400 0.095 0.000 2.097 387 K HA -0.242 4.077 4.320 -0.001 0.000 0.206 387 K C 2.053 178.713 176.600 0.100 0.000 1.049 387 K CA 1.502 57.834 56.287 0.076 0.000 0.933 387 K CB -0.184 32.343 32.500 0.044 0.000 0.717 387 K HN 0.377 nan 8.250 nan 0.000 0.442 388 E N 0.192 120.464 120.200 0.120 0.000 2.072 388 E HA -0.206 4.143 4.350 -0.001 0.000 0.190 388 E C 1.942 178.626 176.600 0.141 0.000 0.982 388 E CA 0.781 57.255 56.400 0.123 0.000 0.803 388 E CB -0.118 29.656 29.700 0.123 0.000 0.755 388 E HN 0.282 nan 8.360 nan 0.000 0.453 389 Y N 1.254 121.582 120.300 0.048 0.000 2.165 389 Y HA -0.209 4.340 4.550 -0.001 0.000 0.286 389 Y C 1.925 177.831 175.900 0.011 0.000 1.155 389 Y CA 1.684 59.805 58.100 0.034 0.000 1.164 389 Y CB -0.180 38.309 38.460 0.047 0.000 0.978 389 Y HN 0.038 nan 8.280 nan 0.000 0.513 390 L N -0.375 120.993 121.223 0.242 0.000 2.042 390 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 390 L C 2.728 179.608 176.870 0.017 0.000 1.076 390 L CA 1.717 56.635 54.840 0.129 0.000 0.749 390 L CB -0.578 41.544 42.059 0.105 0.000 0.893 390 L HN 0.385 nan 8.230 nan 0.000 0.432 391 M N -0.221 119.393 119.600 0.024 0.000 2.156 391 M HA -0.172 4.307 4.480 -0.001 0.000 0.264 391 M C 2.343 178.608 176.300 -0.058 0.000 1.067 391 M CA 1.786 57.089 55.300 0.005 0.000 1.131 391 M CB -0.144 32.487 32.600 0.053 0.000 1.368 391 M HN 0.128 nan 8.290 nan 0.000 0.416 392 I N 0.952 121.463 120.570 -0.099 0.000 2.163 392 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 392 I C 2.473 178.440 176.117 -0.250 0.000 1.085 392 I CA 1.454 62.632 61.300 -0.203 0.000 1.347 392 I CB -1.559 36.300 38.000 -0.236 0.000 1.044 392 I HN 0.411 nan 8.210 nan 0.000 0.408 393 Q N 0.499 120.127 119.800 -0.286 0.000 2.119 393 Q HA -0.217 4.123 4.340 -0.001 0.000 0.201 393 Q C 2.166 178.070 176.000 -0.160 0.000 0.972 393 Q CA 1.287 56.944 55.803 -0.244 0.000 0.847 393 Q CB -0.234 28.371 28.738 -0.221 0.000 0.903 393 Q HN 0.325 nan 8.270 nan 0.000 0.433 394 K N 0.590 120.916 120.400 -0.124 0.000 2.057 394 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 394 K C 1.870 178.382 176.600 -0.147 0.000 1.049 394 K CA 1.235 57.460 56.287 -0.104 0.000 0.931 394 K CB 0.042 32.507 32.500 -0.059 0.000 0.714 394 K HN -0.016 nan 8.250 nan 0.000 0.440 395 R N 0.195 120.600 120.500 -0.159 0.000 2.073 395 R HA 0.041 4.381 4.340 -0.001 0.000 0.229 395 R C 2.427 178.573 176.300 -0.257 0.000 1.120 395 R CA 1.324 57.304 56.100 -0.199 0.000 0.967 395 R CB -0.643 29.535 30.300 -0.204 0.000 0.862 395 R HN 0.332 nan 8.270 nan 0.000 0.436 396 I N 0.076 120.517 120.570 -0.215 0.000 2.226 396 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 396 I C 2.451 178.417 176.117 -0.252 0.000 1.100 396 I CA 1.551 62.740 61.300 -0.185 0.000 1.374 396 I CB -0.718 37.229 38.000 -0.089 0.000 1.057 396 I HN 0.228 nan 8.210 nan 0.000 0.413 397 G N -0.127 108.542 108.800 -0.219 0.000 2.418 397 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 397 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 397 G C 1.582 176.307 174.900 -0.292 0.000 1.158 397 G CA 0.605 45.579 45.100 -0.209 0.000 0.771 397 G HN 0.396 nan 8.290 nan 0.000 0.545 398 Q N 0.637 120.208 119.800 -0.381 0.000 2.083 398 Q HA -0.085 4.255 4.340 -0.001 0.000 0.198 398 Q C 2.769 178.113 176.000 -1.094 0.000 0.969 398 Q CA 1.867 57.320 55.803 -0.583 0.000 0.838 398 Q CB -0.100 28.331 28.738 -0.511 0.000 0.900 398 Q HN 0.588 nan 8.270 nan 0.000 0.436 399 S N -1.070 114.015 115.700 -1.023 0.000 2.388 399 S HA 0.142 4.611 4.470 -0.001 0.000 0.223 399 S C 1.604 175.945 174.600 -0.432 0.000 1.034 399 S CA 0.609 58.237 58.200 -0.953 0.000 0.963 399 S CB 0.337 63.244 63.200 -0.489 0.000 0.827 399 S HN 0.414 nan 8.310 nan 0.000 0.481 400 A N 0.821 123.360 122.820 -0.468 0.000 1.878 400 A HA 0.450 4.769 4.320 -0.001 0.000 0.201 400 A C 1.812 179.136 177.584 -0.433 0.000 1.684 400 A CA 0.244 51.963 52.037 -0.529 0.000 1.113 400 A CB -0.094 18.226 19.000 -1.134 0.000 1.131 400 A HN 0.376 nan 8.150 nan 0.000 0.472 401 E N 0.532 120.508 120.200 -0.373 0.000 2.190 401 E HA 0.126 4.476 4.350 -0.001 0.000 0.191 401 E C 1.265 177.792 176.600 -0.122 0.000 0.978 401 E CA 0.198 56.477 56.400 -0.201 0.000 0.839 401 E CB -0.073 29.555 29.700 -0.119 0.000 0.787 401 E HN 0.512 nan 8.360 nan 0.000 0.473 402 G N 1.152 109.872 108.800 -0.133 0.000 2.690 402 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.239 402 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.239 402 G C -0.195 174.692 174.900 -0.022 0.000 1.233 402 G CA -0.198 44.857 45.100 -0.076 0.000 0.847 402 G HN -0.037 nan 8.290 nan 0.000 0.588 403 D N -0.280 120.133 120.400 0.022 0.000 2.218 403 D HA -0.048 4.591 4.640 -0.001 0.000 0.204 403 D C 1.693 178.104 176.300 0.186 0.000 0.976 403 D CA 1.016 55.059 54.000 0.073 0.000 0.853 403 D CB 0.271 41.119 40.800 0.080 0.000 0.939 403 D HN 0.216 nan 8.370 nan 0.000 0.481 404 K N 0.323 120.843 120.400 0.200 0.000 2.514 404 K HA 0.399 4.718 4.320 -0.001 0.000 0.207 404 K C -0.127 176.609 176.600 0.227 0.000 1.035 404 K CA -0.263 56.229 56.287 0.342 0.000 1.113 404 K CB 0.658 33.254 32.500 0.159 0.000 0.846 404 K HN 0.016 nan 8.250 nan 0.000 0.491 405 A N 0.711 123.604 122.820 0.122 0.000 2.498 405 A HA 0.032 4.352 4.320 -0.001 0.000 0.239 405 A C 0.746 178.422 177.584 0.152 0.000 1.068 405 A CA -0.240 51.770 52.037 -0.044 0.000 0.766 405 A CB 0.043 18.959 19.000 -0.141 0.000 1.003 405 A HN 0.297 nan 8.150 nan 0.000 0.497 406 W N 1.582 122.889 121.300 0.012 0.000 2.318 406 W HA -0.204 4.456 4.660 -0.001 0.000 0.313 406 W C 1.779 178.209 176.519 -0.149 0.000 1.221 406 W CA 1.138 58.399 57.345 -0.140 0.000 1.266 406 W CB -1.337 27.972 29.460 -0.251 0.000 1.150 406 W HN 0.659 nan 8.180 nan 0.000 0.496 407 L N -0.095 121.236 121.223 0.180 0.000 2.265 407 L HA -0.153 4.186 4.340 -0.001 0.000 0.215 407 L C 2.430 179.339 176.870 0.065 0.000 1.117 407 L CA 1.232 56.152 54.840 0.134 0.000 0.782 407 L CB -0.644 41.457 42.059 0.070 0.000 0.914 407 L HN -0.021 nan 8.230 nan 0.000 0.441 408 R N -1.775 118.756 120.500 0.051 0.000 2.246 408 R HA -0.026 4.313 4.340 -0.001 0.000 0.199 408 R C 1.190 177.405 176.300 -0.142 0.000 0.984 408 R CA 0.529 56.602 56.100 -0.044 0.000 1.015 408 R CB 0.131 30.390 30.300 -0.069 0.000 0.930 408 R HN 0.276 nan 8.270 nan 0.000 0.475 409 Y N 0.399 120.717 120.300 0.031 0.000 2.458 409 Y HA 0.087 4.637 4.550 -0.001 0.000 0.256 409 Y C 0.561 176.482 175.900 0.035 0.000 1.159 409 Y CA -0.625 57.503 58.100 0.048 0.000 1.261 409 Y CB 0.860 39.372 38.460 0.087 0.000 1.119 409 Y HN -0.201 nan 8.280 nan 0.000 0.524 410 V N -0.240 119.735 119.914 0.101 0.000 2.470 410 V HA 0.686 4.805 4.120 -0.001 0.000 0.276 410 V C 0.519 176.680 176.094 0.111 0.000 1.040 410 V CA -1.169 61.190 62.300 0.098 0.000 1.008 410 V CB 0.120 32.014 31.823 0.118 0.000 0.990 410 V HN 0.166 nan 8.190 nan 0.000 0.477 411 A N 4.034 126.954 122.820 0.167 0.000 2.280 411 A HA 0.475 4.794 4.320 -0.001 0.000 0.268 411 A C 1.221 178.863 177.584 0.097 0.000 1.111 411 A CA -0.343 51.776 52.037 0.136 0.000 0.814 411 A CB 0.157 19.279 19.000 0.202 0.000 1.093 411 A HN 0.866 nan 8.150 nan 0.000 0.498 412 E N 0.362 120.598 120.200 0.060 0.000 2.204 412 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 412 E C 0.852 177.475 176.600 0.039 0.000 0.990 412 E CA 1.524 57.946 56.400 0.037 0.000 0.821 412 E CB -0.338 29.371 29.700 0.015 0.000 0.750 412 E HN 0.790 nan 8.360 nan 0.000 0.477 413 D N -0.560 119.880 120.400 0.068 0.000 2.352 413 D HA 0.054 4.693 4.640 -0.001 0.000 0.232 413 D C 1.102 177.413 176.300 0.018 0.000 1.055 413 D CA 0.664 54.690 54.000 0.043 0.000 0.891 413 D CB -0.386 40.461 40.800 0.080 0.000 0.897 413 D HN 0.115 nan 8.370 nan 0.000 0.529 414 G N -0.106 108.722 108.800 0.046 0.000 2.221 414 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.265 414 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.265 414 G C -0.100 174.833 174.900 0.054 0.000 1.041 414 G CA 0.370 45.495 45.100 0.042 0.000 0.807 414 G HN 0.520 nan 8.290 nan 0.000 0.502 415 K N -0.971 119.471 120.400 0.069 0.000 2.477 415 K HA 0.704 5.023 4.320 -0.001 0.000 0.255 415 K C -0.187 176.407 176.600 -0.010 0.000 0.952 415 K CA -1.016 55.271 56.287 -0.000 0.000 0.826 415 K CB 2.115 34.522 32.500 -0.155 0.000 1.331 415 K HN 0.099 nan 8.250 nan 0.000 0.437 416 I N 3.193 123.744 120.570 -0.032 0.000 2.307 416 I HA 0.162 4.332 4.170 -0.001 0.000 0.289 416 I C -0.119 176.011 176.117 0.022 0.000 1.021 416 I CA -0.549 60.776 61.300 0.041 0.000 1.224 416 I CB 0.632 38.616 38.000 -0.026 0.000 1.376 416 I HN 0.477 nan 8.210 nan 0.000 0.470 417 H N 6.084 125.264 119.070 0.183 0.000 2.652 417 H HA 0.188 4.743 4.556 -0.001 0.000 0.233 417 H C 0.714 176.142 175.328 0.166 0.000 1.762 417 H CA -0.382 55.769 56.048 0.173 0.000 1.285 417 H CB 0.322 30.171 29.762 0.145 0.000 1.668 417 H HN 0.751 nan 8.280 nan 0.000 0.550 418 G N 1.407 110.334 108.800 0.213 0.000 2.432 418 G HA2 0.047 4.006 3.960 -0.001 0.000 0.239 418 G HA3 0.047 4.006 3.960 -0.001 0.000 0.239 418 G C 0.156 175.161 174.900 0.176 0.000 1.291 418 G CA -0.331 44.864 45.100 0.158 0.000 0.863 418 G HN 0.351 nan 8.290 nan 0.000 0.560 419 S N -0.813 114.987 115.700 0.167 0.000 2.601 419 S HA 0.517 4.987 4.470 -0.001 0.000 0.271 419 S C -0.031 174.627 174.600 0.097 0.000 1.305 419 S CA -0.387 57.913 58.200 0.166 0.000 1.022 419 S CB 1.465 64.827 63.200 0.270 0.000 0.940 419 S HN 0.475 nan 8.310 nan 0.000 0.525 420 V N 3.603 123.566 119.914 0.082 0.000 2.668 420 V HA 0.361 4.480 4.120 -0.001 0.000 0.304 420 V C -0.491 175.602 176.094 -0.003 0.000 1.071 420 V CA -0.994 61.313 62.300 0.011 0.000 0.894 420 V CB 1.981 33.873 31.823 0.114 0.000 1.008 420 V HN 0.822 nan 8.190 nan 0.000 0.425 421 N N 6.198 124.851 118.700 -0.079 0.000 2.500 421 N HA 0.336 5.075 4.740 -0.001 0.000 0.236 421 N C -1.872 173.625 175.510 -0.022 0.000 1.022 421 N CA -2.060 50.972 53.050 -0.030 0.000 0.935 421 N CB 2.130 40.593 38.487 -0.041 0.000 1.147 421 N HN 0.236 nan 8.380 nan 0.000 0.512 422 P HA -0.102 nan 4.420 nan 0.000 0.218 422 P C -0.096 177.296 177.300 0.153 0.000 1.146 422 P CA 1.318 64.514 63.100 0.160 0.000 0.820 422 P CB 0.298 32.089 31.700 0.150 0.000 0.778 423 N N -2.202 116.547 118.700 0.082 0.000 2.622 423 N HA 0.198 4.937 4.740 -0.001 0.000 0.304 423 N C 1.140 176.675 175.510 0.042 0.000 1.844 423 N CA -0.088 53.011 53.050 0.081 0.000 0.886 423 N CB -0.417 38.119 38.487 0.082 0.000 1.366 423 N HN -0.170 nan 8.380 nan 0.000 0.491 424 G N -0.521 108.285 108.800 0.010 0.000 2.421 424 G HA2 0.097 4.056 3.960 -0.001 0.000 0.217 424 G HA3 0.097 4.056 3.960 -0.001 0.000 0.217 424 G C 0.628 175.531 174.900 0.006 0.000 1.143 424 G CA 0.601 45.698 45.100 -0.006 0.000 0.784 424 G HN 0.483 nan 8.290 nan 0.000 0.541 425 A N 0.070 122.896 122.820 0.011 0.000 2.316 425 A HA 0.515 4.834 4.320 -0.001 0.000 0.284 425 A C 1.694 179.297 177.584 0.031 0.000 1.115 425 A CA 0.152 52.198 52.037 0.015 0.000 0.812 425 A CB 1.214 20.218 19.000 0.007 0.000 1.064 425 A HN 0.750 nan 8.150 nan 0.000 0.489 426 V N 0.222 120.154 119.914 0.031 0.000 2.469 426 V HA -0.200 3.919 4.120 -0.001 0.000 0.251 426 V C 1.961 178.088 176.094 0.055 0.000 1.064 426 V CA 2.572 64.903 62.300 0.051 0.000 1.066 426 V CB -2.069 29.797 31.823 0.073 0.000 0.667 426 V HN 1.047 nan 8.190 nan 0.000 0.461 427 T N -2.704 111.871 114.554 0.035 0.000 3.085 427 T HA 0.364 4.713 4.350 -0.001 0.000 0.263 427 T C 1.676 176.420 174.700 0.074 0.000 1.127 427 T CA 1.137 63.259 62.100 0.038 0.000 1.103 427 T CB 0.188 69.056 68.868 0.001 0.000 0.921 427 T HN 1.579 nan 8.240 nan 0.000 0.510 428 G N 0.938 109.789 108.800 0.084 0.000 2.184 428 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.206 428 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.206 428 G C 0.242 175.234 174.900 0.154 0.000 0.995 428 G CA -0.291 44.884 45.100 0.125 0.000 0.651 428 G HN 0.622 nan 8.290 nan 0.000 0.511 429 R N 0.521 121.087 120.500 0.109 0.000 2.726 429 R HA 0.642 4.982 4.340 -0.001 0.000 0.272 429 R C 0.803 177.140 176.300 0.062 0.000 1.097 429 R CA 0.430 56.594 56.100 0.107 0.000 1.198 429 R CB 0.551 30.884 30.300 0.055 0.000 1.114 429 R HN 0.485 nan 8.270 nan 0.000 0.550 430 A N 0.341 123.140 122.820 -0.035 0.000 2.269 430 A HA 0.499 4.818 4.320 -0.001 0.000 0.319 430 A C -0.289 177.106 177.584 -0.316 0.000 1.110 430 A CA -0.506 51.423 52.037 -0.179 0.000 0.847 430 A CB 1.155 19.972 19.000 -0.304 0.000 1.161 430 A HN 0.733 nan 8.150 nan 0.000 0.497 431 T N -1.327 112.977 114.554 -0.416 0.000 2.908 431 T HA 0.734 5.084 4.350 -0.001 0.000 0.290 431 T C -0.876 173.448 174.700 -0.627 0.000 1.034 431 T CA -0.575 61.315 62.100 -0.350 0.000 1.010 431 T CB 1.106 69.887 68.868 -0.145 0.000 1.068 431 T HN 0.674 nan 8.240 nan 0.000 0.481 432 H N -0.193 118.810 119.070 -0.111 0.000 2.679 432 H HA 0.838 5.394 4.556 -0.001 0.000 0.360 432 H C -0.235 174.965 175.328 -0.213 0.000 1.105 432 H CA -0.587 55.382 56.048 -0.131 0.000 1.196 432 H CB 1.877 31.565 29.762 -0.123 0.000 1.636 432 H HN 1.139 nan 8.280 nan 0.000 0.531 433 A N 1.111 123.807 122.820 -0.207 0.000 2.599 433 A HA 0.577 4.897 4.320 -0.001 0.000 0.290 433 A C -1.453 175.834 177.584 -0.494 0.000 1.101 433 A CA -0.981 50.733 52.037 -0.537 0.000 0.674 433 A CB 0.480 18.836 19.000 -1.073 0.000 1.277 433 A HN 0.636 nan 8.150 nan 0.000 0.419 434 F N -2.147 117.702 119.950 -0.169 0.000 2.983 434 F HA -0.130 4.397 4.527 -0.001 0.000 0.288 434 F C -2.211 173.120 175.800 -0.783 0.000 0.980 434 F CA 0.605 58.332 58.000 -0.455 0.000 0.965 434 F CB -2.388 36.529 39.000 -0.139 0.000 0.967 434 F HN 0.425 nan 8.300 nan 0.000 0.800 435 P HA 0.235 nan 4.420 nan 0.000 0.286 435 P C -0.296 176.941 177.300 -0.106 0.000 1.292 435 P CA -0.589 62.358 63.100 -0.255 0.000 0.842 435 P CB 1.123 32.791 31.700 -0.054 0.000 1.207 436 N N 0.753 119.414 118.700 -0.065 0.000 2.402 436 N HA 0.065 4.805 4.740 -0.001 0.000 0.259 436 N C 0.868 176.366 175.510 -0.021 0.000 1.167 436 N CA 0.084 53.112 53.050 -0.037 0.000 0.949 436 N CB -0.730 37.733 38.487 -0.041 0.000 1.212 436 N HN 0.299 nan 8.380 nan 0.000 0.493 437 L N 1.855 123.056 121.223 -0.037 0.000 2.610 437 L HA 0.062 4.401 4.340 -0.001 0.000 0.232 437 L C 1.509 178.303 176.870 -0.127 0.000 1.149 437 L CA 0.352 55.144 54.840 -0.079 0.000 0.872 437 L CB -0.182 41.895 42.059 0.030 0.000 0.992 437 L HN 0.535 nan 8.230 nan 0.000 0.447 438 A N 0.016 122.689 122.820 -0.245 0.000 2.345 438 A HA 0.023 4.342 4.320 -0.001 0.000 0.225 438 A C 1.392 178.874 177.584 -0.171 0.000 1.243 438 A CA -0.078 51.757 52.037 -0.337 0.000 0.875 438 A CB -0.101 18.474 19.000 -0.709 0.000 0.929 438 A HN 0.569 nan 8.150 nan 0.000 0.502 439 Q N -0.054 119.670 119.800 -0.127 0.000 2.115 439 Q HA 0.322 4.661 4.340 -0.001 0.000 0.249 439 Q C -0.596 175.361 176.000 -0.072 0.000 0.830 439 Q CA -0.530 55.229 55.803 -0.073 0.000 1.104 439 Q CB 0.134 28.859 28.738 -0.020 0.000 1.207 439 Q HN 0.261 nan 8.270 nan 0.000 0.464 440 I N 2.923 123.371 120.570 -0.204 0.000 2.648 440 I HA 0.198 4.368 4.170 -0.001 0.000 0.284 440 I C -1.953 174.067 176.117 -0.161 0.000 1.153 440 I CA -2.112 59.066 61.300 -0.204 0.000 1.426 440 I CB -0.118 37.461 38.000 -0.702 0.000 1.381 440 I HN 0.107 nan 8.210 nan 0.000 0.571 441 P HA 0.065 nan 4.420 nan 0.000 0.265 441 P C 0.282 177.544 177.300 -0.063 0.000 1.193 441 P CA -0.049 63.055 63.100 0.006 0.000 0.765 441 P CB 0.440 32.200 31.700 0.100 0.000 0.823 442 G N 1.653 110.422 108.800 -0.052 0.000 2.491 442 G HA2 0.193 4.152 3.960 -0.001 0.000 0.242 442 G HA3 0.193 4.152 3.960 -0.001 0.000 0.242 442 G C 1.330 176.219 174.900 -0.018 0.000 1.266 442 G CA -0.450 44.619 45.100 -0.052 0.000 0.844 442 G HN 0.454 nan 8.290 nan 0.000 0.571 443 V N 0.599 120.503 119.914 -0.017 0.000 2.660 443 V HA -0.164 3.955 4.120 -0.001 0.000 0.257 443 V C 2.047 178.149 176.094 0.014 0.000 1.088 443 V CA 1.719 64.026 62.300 0.012 0.000 1.106 443 V CB -0.632 31.207 31.823 0.026 0.000 0.686 443 V HN 0.681 nan 8.190 nan 0.000 0.481 444 R N 1.604 122.108 120.500 0.006 0.000 2.356 444 R HA 0.270 4.610 4.340 -0.001 0.000 0.234 444 R C 0.839 177.144 176.300 0.009 0.000 0.929 444 R CA 0.552 56.655 56.100 0.005 0.000 1.084 444 R CB 0.067 30.367 30.300 0.001 0.000 1.105 444 R HN 0.768 nan 8.270 nan 0.000 0.515 445 S N 0.150 115.862 115.700 0.019 0.000 2.681 445 S HA 0.508 4.977 4.470 -0.001 0.000 0.299 445 S C -2.690 171.935 174.600 0.042 0.000 1.113 445 S CA -1.924 56.295 58.200 0.031 0.000 1.013 445 S CB 1.977 65.202 63.200 0.041 0.000 1.076 445 S HN -0.225 nan 8.310 nan 0.000 0.534 446 P HA 0.139 nan 4.420 nan 0.000 0.261 446 P C -0.697 176.725 177.300 0.203 0.000 1.183 446 P CA 0.593 63.727 63.100 0.057 0.000 0.761 446 P CB -0.422 31.361 31.700 0.138 0.000 0.785 447 Y N 0.759 121.084 120.300 0.042 0.000 4.753 447 Y HA -0.276 4.273 4.550 -0.001 0.000 0.232 447 Y C 1.909 177.856 175.900 0.079 0.000 1.029 447 Y CA 1.032 59.168 58.100 0.060 0.000 1.996 447 Y CB -2.375 36.122 38.460 0.062 0.000 1.602 447 Y HN 0.552 nan 8.280 nan 0.000 0.621 448 G N -0.094 108.802 108.800 0.159 0.000 2.422 448 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 448 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 448 G C 1.335 176.296 174.900 0.102 0.000 1.140 448 G CA 0.998 46.169 45.100 0.119 0.000 0.775 448 G HN 0.592 nan 8.290 nan 0.000 0.545 449 E N 0.139 120.390 120.200 0.085 0.000 2.106 449 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 449 E C 2.592 179.261 176.600 0.115 0.000 0.984 449 E CA 0.832 57.281 56.400 0.083 0.000 0.806 449 E CB -0.102 29.632 29.700 0.057 0.000 0.750 449 E HN 0.505 nan 8.360 nan 0.000 0.458 450 Q N 0.013 119.896 119.800 0.139 0.000 2.079 450 Q HA -0.132 4.208 4.340 -0.001 0.000 0.200 450 Q C 2.389 178.498 176.000 0.181 0.000 0.974 450 Q CA 1.342 57.239 55.803 0.155 0.000 0.840 450 Q CB -0.092 28.762 28.738 0.194 0.000 0.898 450 Q HN 0.311 nan 8.270 nan 0.000 0.430 451 C N -0.089 119.359 119.300 0.246 0.000 2.432 451 C HA -0.093 4.367 4.460 -0.001 0.000 0.277 451 C C 2.584 177.714 174.990 0.232 0.000 1.249 451 C CA 0.652 59.869 59.018 0.332 0.000 1.725 451 C CB -0.720 27.288 27.740 0.446 0.000 2.028 451 C HN 0.415 nan 8.230 nan 0.000 0.477 452 R N 1.152 121.743 120.500 0.152 0.000 2.092 452 R HA 0.007 4.346 4.340 -0.001 0.000 0.231 452 R C 2.179 178.643 176.300 0.272 0.000 1.119 452 R CA 1.541 57.718 56.100 0.128 0.000 0.970 452 R CB -0.590 29.717 30.300 0.012 0.000 0.864 452 R HN 0.513 nan 8.270 nan 0.000 0.440 453 A N -0.142 122.803 122.820 0.208 0.000 2.015 453 A HA 0.001 4.320 4.320 -0.001 0.000 0.219 453 A C 2.168 179.900 177.584 0.246 0.000 1.163 453 A CA 1.425 53.594 52.037 0.221 0.000 0.646 453 A CB -0.647 18.448 19.000 0.159 0.000 0.806 453 A HN 0.389 nan 8.150 nan 0.000 0.448 454 A N -1.300 121.553 122.820 0.055 0.000 2.121 454 A HA 0.209 4.528 4.320 -0.001 0.000 0.218 454 A C 0.377 177.693 177.584 -0.446 0.000 1.154 454 A CA 0.365 52.180 52.037 -0.370 0.000 0.679 454 A CB -0.420 18.215 19.000 -0.608 0.000 0.795 454 A HN 0.367 nan 8.150 nan 0.000 0.458 455 F N -0.042 119.888 119.950 -0.033 0.000 2.334 455 F HA 0.573 5.100 4.527 -0.001 0.000 0.367 455 F C 0.745 176.667 175.800 0.203 0.000 1.115 455 F CA 0.110 57.996 58.000 -0.189 0.000 1.116 455 F CB 1.431 40.045 39.000 -0.643 0.000 1.230 455 F HN 0.147 nan 8.300 nan 0.000 0.484 456 G N 0.736 109.903 108.800 0.611 0.000 2.667 456 G HA2 0.478 4.438 3.960 -0.001 0.000 0.294 456 G HA3 0.478 4.438 3.960 -0.001 0.000 0.294 456 G C -0.000 175.105 174.900 0.342 0.000 1.467 456 G CA -0.256 45.134 45.100 0.483 0.000 0.852 456 G HN 0.636 nan 8.290 nan 0.000 0.521 457 A N 0.227 123.206 122.820 0.265 0.000 2.019 457 A HA 0.012 4.331 4.320 -0.001 0.000 0.219 457 A C 1.979 179.669 177.584 0.177 0.000 1.164 457 A CA 2.117 54.312 52.037 0.263 0.000 0.644 457 A CB -0.509 18.680 19.000 0.316 0.000 0.805 457 A HN 0.939 nan 8.150 nan 0.000 0.449 458 E N -0.759 119.442 120.200 0.003 0.000 2.204 458 E HA -0.248 4.101 4.350 -0.001 0.000 0.195 458 E C 1.159 177.662 176.600 -0.160 0.000 0.990 458 E CA 1.342 57.679 56.400 -0.105 0.000 0.821 458 E CB -0.621 28.941 29.700 -0.231 0.000 0.750 458 E HN 0.722 nan 8.360 nan 0.000 0.477 459 H N -0.391 118.717 119.070 0.063 0.000 2.556 459 H HA 0.069 4.624 4.556 -0.001 0.000 0.268 459 H C -0.183 175.117 175.328 -0.046 0.000 0.996 459 H CA 0.796 56.840 56.048 -0.008 0.000 1.157 459 H CB -0.382 29.361 29.762 -0.031 0.000 1.355 459 H HN 0.337 nan 8.280 nan 0.000 0.597 460 H N 0.382 119.388 119.070 -0.106 0.000 2.511 460 H HA 0.390 4.945 4.556 -0.001 0.000 0.328 460 H C -0.851 174.338 175.328 -0.231 0.000 1.044 460 H CA -0.587 55.257 56.048 -0.339 0.000 1.212 460 H CB 0.361 29.674 29.762 -0.748 0.000 1.428 460 H HN -0.038 nan 8.280 nan 0.000 0.483 461 L N 4.360 125.148 121.223 -0.725 0.000 2.295 461 L HA 0.238 4.578 4.340 -0.001 0.000 0.285 461 L C 0.235 176.714 176.870 -0.651 0.000 1.035 461 L CA -0.954 53.616 54.840 -0.450 0.000 0.806 461 L CB 1.249 43.164 42.059 -0.239 0.000 1.214 461 L HN 0.734 nan 8.230 nan 0.000 0.426 462 D N 1.938 122.231 120.400 -0.179 0.000 2.525 462 D HA 0.006 4.645 4.640 -0.001 0.000 0.235 462 D C 1.311 177.606 176.300 -0.009 0.000 1.137 462 D CA 0.844 54.906 54.000 0.103 0.000 0.868 462 D CB 1.446 42.469 40.800 0.373 0.000 1.180 462 D HN 0.667 nan 8.370 nan 0.000 0.465 463 G N 3.323 112.158 108.800 0.059 0.000 2.448 463 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 463 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 463 G C 1.185 176.115 174.900 0.050 0.000 1.127 463 G CA 0.523 45.645 45.100 0.037 0.000 0.766 463 G HN 0.515 nan 8.290 nan 0.000 0.552 464 I N 0.968 121.588 120.570 0.084 0.000 2.681 464 I HA 0.011 4.180 4.170 -0.001 0.000 0.247 464 I C 2.935 179.079 176.117 0.045 0.000 1.091 464 I CA 1.851 63.189 61.300 0.062 0.000 1.442 464 I CB -1.348 36.697 38.000 0.074 0.000 1.219 464 I HN 0.272 nan 8.210 nan 0.000 0.451 465 T N -1.408 113.182 114.554 0.059 0.000 3.043 465 T HA 0.168 4.517 4.350 -0.001 0.000 0.263 465 T C 1.643 176.359 174.700 0.027 0.000 1.094 465 T CA 0.861 62.985 62.100 0.041 0.000 1.127 465 T CB 0.010 68.905 68.868 0.045 0.000 0.905 465 T HN 0.537 nan 8.240 nan 0.000 0.490 466 G N 1.542 110.355 108.800 0.022 0.000 2.162 466 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.260 466 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.260 466 G C -0.032 174.868 174.900 0.000 0.000 0.976 466 G CA 0.116 45.209 45.100 -0.012 0.000 0.655 466 G HN 0.603 nan 8.290 nan 0.000 0.533 467 K N 1.308 121.734 120.400 0.044 0.000 2.205 467 K HA 0.433 4.753 4.320 -0.001 0.000 0.279 467 K C -2.067 174.604 176.600 0.119 0.000 1.027 467 K CA -2.413 53.909 56.287 0.059 0.000 0.932 467 K CB 1.256 33.787 32.500 0.052 0.000 1.032 467 K HN 0.183 nan 8.250 nan 0.000 0.466 468 P HA -0.020 nan 4.420 nan 0.000 0.266 468 P C -0.431 177.046 177.300 0.295 0.000 1.195 468 P CA -0.105 63.077 63.100 0.138 0.000 0.768 468 P CB 0.424 32.158 31.700 0.056 0.000 0.838 469 W N 1.934 123.267 121.300 0.056 0.000 2.086 469 W HA 0.279 4.938 4.660 -0.001 0.000 0.355 469 W C 0.024 176.589 176.519 0.077 0.000 1.313 469 W CA -0.086 57.333 57.345 0.122 0.000 1.358 469 W CB 0.097 29.721 29.460 0.274 0.000 1.166 469 W HN 0.058 nan 8.180 nan 0.000 0.630 470 V N 1.083 121.134 119.914 0.228 0.000 2.732 470 V HA 0.333 4.453 4.120 -0.001 0.000 0.310 470 V C -0.265 175.916 176.094 0.145 0.000 1.053 470 V CA -1.167 61.208 62.300 0.124 0.000 0.957 470 V CB 1.403 33.245 31.823 0.032 0.000 1.018 470 V HN 0.444 nan 8.190 nan 0.000 0.452 471 Q N 1.805 121.668 119.800 0.106 0.000 2.274 471 Q HA 0.761 5.100 4.340 -0.001 0.000 0.260 471 Q C -0.818 175.202 176.000 0.033 0.000 0.974 471 Q CA -0.674 55.177 55.803 0.080 0.000 0.876 471 Q CB 1.891 30.687 28.738 0.098 0.000 1.297 471 Q HN 0.939 nan 8.270 nan 0.000 0.446 472 A N 2.486 125.297 122.820 -0.015 0.000 2.363 472 A HA 0.700 5.020 4.320 -0.001 0.000 0.296 472 A C -0.467 177.084 177.584 -0.056 0.000 1.237 472 A CA -0.264 51.754 52.037 -0.032 0.000 0.773 472 A CB 1.068 20.027 19.000 -0.069 0.000 1.153 472 A HN 0.725 nan 8.150 nan 0.000 0.473 473 G N 1.520 110.328 108.800 0.013 0.000 2.368 473 G HA2 0.589 4.549 3.960 -0.001 0.000 0.320 473 G HA3 0.589 4.549 3.960 -0.001 0.000 0.320 473 G C -0.876 174.094 174.900 0.116 0.000 1.158 473 G CA -0.331 44.796 45.100 0.046 0.000 0.912 473 G HN 0.554 nan 8.290 nan 0.000 0.456 474 I N 1.766 122.426 120.570 0.150 0.000 2.498 474 I HA 0.400 4.569 4.170 -0.001 0.000 0.290 474 I C -0.758 175.592 176.117 0.387 0.000 1.032 474 I CA -0.636 60.819 61.300 0.258 0.000 1.073 474 I CB 2.563 40.745 38.000 0.304 0.000 1.251 474 I HN 0.323 nan 8.210 nan 0.000 0.426 475 D N 4.408 124.985 120.400 0.296 0.000 2.780 475 D HA 0.557 5.196 4.640 -0.001 0.000 0.242 475 D C -0.812 175.529 176.300 0.067 0.000 1.135 475 D CA -0.535 53.620 54.000 0.259 0.000 0.859 475 D CB 2.673 43.660 40.800 0.312 0.000 1.530 475 D HN 0.634 nan 8.370 nan 0.000 0.493 476 A N 2.441 125.218 122.820 -0.071 0.000 2.492 476 A HA 0.304 4.623 4.320 -0.001 0.000 0.254 476 A C 0.296 177.876 177.584 -0.007 0.000 1.091 476 A CA 0.020 51.947 52.037 -0.184 0.000 0.768 476 A CB 0.167 19.008 19.000 -0.264 0.000 1.028 476 A HN 0.428 nan 8.150 nan 0.000 0.498 477 S N 1.896 117.591 115.700 -0.008 0.000 2.465 477 S HA 0.408 4.877 4.470 -0.001 0.000 0.280 477 S C 1.320 175.977 174.600 0.094 0.000 1.232 477 S CA 0.585 58.819 58.200 0.058 0.000 1.066 477 S CB 0.454 63.673 63.200 0.031 0.000 0.929 477 S HN 2.031 nan 8.310 nan 0.000 0.494 478 G N 3.040 111.951 108.800 0.186 0.000 2.422 478 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.301 478 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.301 478 G C 0.700 175.751 174.900 0.251 0.000 0.981 478 G CA 0.540 45.791 45.100 0.252 0.000 0.994 478 G HN 0.697 nan 8.290 nan 0.000 0.514 479 L N -0.022 121.335 121.223 0.223 0.000 2.013 479 L HA -0.220 4.119 4.340 -0.001 0.000 0.239 479 L C 2.603 179.638 176.870 0.275 0.000 1.100 479 L CA 3.209 58.165 54.840 0.194 0.000 0.826 479 L CB -0.701 41.448 42.059 0.150 0.000 0.921 479 L HN 0.541 nan 8.230 nan 0.000 0.445 480 E N -0.970 119.421 120.200 0.318 0.000 2.204 480 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 480 E C 2.261 179.151 176.600 0.483 0.000 0.990 480 E CA 1.221 57.856 56.400 0.392 0.000 0.821 480 E CB -0.222 29.658 29.700 0.301 0.000 0.750 480 E HN 0.550 nan 8.360 nan 0.000 0.477 481 L N 0.265 121.781 121.223 0.490 0.000 2.156 481 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 481 L C 2.381 179.456 176.870 0.342 0.000 1.095 481 L CA 0.871 55.942 54.840 0.384 0.000 0.770 481 L CB -0.172 42.031 42.059 0.240 0.000 0.914 481 L HN 0.066 nan 8.230 nan 0.000 0.439 482 R N -1.287 119.379 120.500 0.277 0.000 2.153 482 R HA -0.064 4.275 4.340 -0.001 0.000 0.218 482 R C 2.317 178.837 176.300 0.366 0.000 1.072 482 R CA 1.029 57.273 56.100 0.241 0.000 0.990 482 R CB -0.364 30.057 30.300 0.202 0.000 0.889 482 R HN 0.382 nan 8.270 nan 0.000 0.452 483 C N 0.599 120.168 119.300 0.450 0.000 2.457 483 C HA -0.025 4.434 4.460 -0.001 0.000 0.278 483 C C 2.495 177.777 174.990 0.486 0.000 1.309 483 C CA 0.126 59.469 59.018 0.541 0.000 1.735 483 C CB -0.744 27.342 27.740 0.577 0.000 1.992 483 C HN 0.424 nan 8.230 nan 0.000 0.493 484 L N 2.078 123.572 121.223 0.450 0.000 2.056 484 L HA 0.021 4.360 4.340 -0.001 0.000 0.207 484 L C 2.561 179.656 176.870 0.376 0.000 1.078 484 L CA 2.365 57.450 54.840 0.409 0.000 0.749 484 L CB -0.921 41.339 42.059 0.336 0.000 0.901 484 L HN 0.229 nan 8.230 nan 0.000 0.433 485 A N -1.158 121.909 122.820 0.411 0.000 1.940 485 A HA -0.315 4.005 4.320 -0.001 0.000 0.219 485 A C 2.253 179.921 177.584 0.141 0.000 1.176 485 A CA 1.903 54.160 52.037 0.366 0.000 0.631 485 A CB -1.094 17.999 19.000 0.154 0.000 0.814 485 A HN 0.782 nan 8.150 nan 0.000 0.446 486 H N -1.374 117.619 119.070 -0.128 0.000 2.270 486 H HA -0.109 4.447 4.556 -0.001 0.000 0.299 486 H C 1.580 176.685 175.328 -0.373 0.000 1.077 486 H CA 2.204 57.947 56.048 -0.509 0.000 1.294 486 H CB -0.511 28.445 29.762 -1.345 0.000 1.371 486 H HN 0.384 nan 8.280 nan 0.000 0.491 487 F N 0.739 120.550 119.950 -0.231 0.000 2.216 487 F HA -0.142 4.384 4.527 -0.002 0.000 0.300 487 F C 2.437 178.242 175.800 0.007 0.000 1.085 487 F CA 1.446 59.339 58.000 -0.179 0.000 1.326 487 F CB -0.445 38.573 39.000 0.031 0.000 1.027 487 F HN 0.380 nan 8.300 nan 0.000 0.497 488 M N -1.484 118.276 119.600 0.265 0.000 2.494 488 M HA 0.447 4.926 4.480 -0.001 0.000 0.232 488 M C 1.643 178.094 176.300 0.251 0.000 1.137 488 M CA 0.658 56.189 55.300 0.386 0.000 1.012 488 M CB -0.458 32.305 32.600 0.272 0.000 1.567 488 M HN -0.032 nan 8.290 nan 0.000 0.486 489 A N 2.642 125.493 122.820 0.052 0.000 2.015 489 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 489 A C 2.351 179.886 177.584 -0.082 0.000 1.163 489 A CA 1.449 53.476 52.037 -0.017 0.000 0.646 489 A CB -0.590 18.348 19.000 -0.104 0.000 0.806 489 A HN 0.795 nan 8.150 nan 0.000 0.448 490 R N -1.958 118.414 120.500 -0.213 0.000 2.189 490 R HA 0.046 4.385 4.340 -0.001 0.000 0.218 490 R C 1.224 177.275 176.300 -0.416 0.000 1.074 490 R CA 1.421 57.295 56.100 -0.377 0.000 0.991 490 R CB -0.493 29.468 30.300 -0.565 0.000 0.883 490 R HN 0.447 nan 8.270 nan 0.000 0.457 491 F N 1.673 121.617 119.950 -0.011 0.000 2.374 491 F HA 0.072 4.597 4.527 -0.002 0.000 0.291 491 F C 1.507 177.309 175.800 0.003 0.000 1.084 491 F CA 0.649 58.647 58.000 -0.003 0.000 1.413 491 F CB 0.029 39.029 39.000 0.000 0.000 1.099 491 F HN 0.117 nan 8.300 nan 0.000 0.534 492 D N -2.197 118.316 120.400 0.188 0.000 2.431 492 D HA 0.019 4.658 4.640 -0.001 0.000 0.213 492 D C -0.197 176.147 176.300 0.073 0.000 1.130 492 D CA 0.003 54.076 54.000 0.122 0.000 0.834 492 D CB -0.737 40.143 40.800 0.133 0.000 0.985 492 D HN 0.013 nan 8.370 nan 0.000 0.504 493 N N 0.667 119.390 118.700 0.038 0.000 2.754 493 N HA -0.140 4.600 4.740 -0.001 0.000 0.248 493 N C 1.046 176.566 175.510 0.017 0.000 1.093 493 N CA 1.172 54.226 53.050 0.007 0.000 0.699 493 N CB -1.642 36.845 38.487 0.000 0.000 1.016 493 N HN 0.657 nan 8.380 nan 0.000 0.552 494 G N -0.236 108.587 108.800 0.038 0.000 2.160 494 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.251 494 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.251 494 G C 0.680 175.635 174.900 0.092 0.000 1.008 494 G CA 1.027 46.160 45.100 0.054 0.000 0.724 494 G HN 0.650 nan 8.290 nan 0.000 0.514 495 E N -1.109 119.158 120.200 0.112 0.000 2.047 495 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 495 E C 1.957 178.681 176.600 0.207 0.000 0.987 495 E CA 1.233 57.715 56.400 0.137 0.000 0.799 495 E CB -0.133 29.638 29.700 0.119 0.000 0.752 495 E HN 0.643 nan 8.360 nan 0.000 0.449 496 Y N 0.739 121.088 120.300 0.082 0.000 2.242 496 Y HA -0.041 4.508 4.550 -0.002 0.000 0.291 496 Y C 1.966 177.915 175.900 0.081 0.000 1.137 496 Y CA 1.216 59.364 58.100 0.079 0.000 1.181 496 Y CB -0.576 37.931 38.460 0.079 0.000 0.989 496 Y HN 0.135 nan 8.280 nan 0.000 0.527 497 A N -1.191 121.640 122.820 0.019 0.000 2.019 497 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 497 A C 1.941 179.507 177.584 -0.030 0.000 1.164 497 A CA 1.959 53.964 52.037 -0.054 0.000 0.644 497 A CB -1.007 18.012 19.000 0.032 0.000 0.805 497 A HN 0.697 nan 8.150 nan 0.000 0.449 498 H N -0.850 118.186 119.070 -0.056 0.000 2.399 498 H HA 0.091 4.646 4.556 -0.001 0.000 0.300 498 H C 1.989 177.284 175.328 -0.055 0.000 1.048 498 H CA 1.384 57.409 56.048 -0.039 0.000 1.370 498 H CB -0.050 29.708 29.762 -0.007 0.000 1.428 498 H HN 0.526 nan 8.280 nan 0.000 0.534 499 E N 0.436 120.618 120.200 -0.029 0.000 2.106 499 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 499 E C 2.191 178.692 176.600 -0.165 0.000 0.984 499 E CA 1.015 57.377 56.400 -0.062 0.000 0.806 499 E CB -0.132 29.619 29.700 0.084 0.000 0.750 499 E HN 0.616 nan 8.360 nan 0.000 0.458 500 I N 1.125 121.504 120.570 -0.317 0.000 2.335 500 I HA -0.253 3.917 4.170 -0.001 0.000 0.251 500 I C 1.392 177.379 176.117 -0.216 0.000 1.129 500 I CA 0.883 61.961 61.300 -0.370 0.000 1.402 500 I CB 0.119 37.746 38.000 -0.622 0.000 1.069 500 I HN 0.176 nan 8.210 nan 0.000 0.424 501 L N -1.137 119.965 121.223 -0.202 0.000 2.728 501 L HA 0.315 4.654 4.340 -0.001 0.000 0.235 501 L C 0.472 177.251 176.870 -0.151 0.000 1.197 501 L CA 0.185 54.933 54.840 -0.152 0.000 0.992 501 L CB -1.173 40.809 42.059 -0.128 0.000 1.263 501 L HN 0.022 nan 8.230 nan 0.000 0.484 502 N N 2.082 120.691 118.700 -0.152 0.000 3.034 502 N HA 0.471 5.211 4.740 -0.001 0.000 0.265 502 N C 0.657 176.127 175.510 -0.067 0.000 1.166 502 N CA 0.973 53.953 53.050 -0.118 0.000 1.081 502 N CB -0.149 38.274 38.487 -0.107 0.000 1.378 502 N HN 0.589 nan 8.380 nan 0.000 0.520 503 G N 1.967 110.734 108.800 -0.055 0.000 2.725 503 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 503 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 503 G C -0.832 174.051 174.900 -0.029 0.000 1.357 503 G CA -0.393 44.690 45.100 -0.029 0.000 0.866 503 G HN 0.648 nan 8.290 nan 0.000 0.548 504 D N -0.939 119.457 120.400 -0.007 0.000 2.308 504 D HA 0.448 5.087 4.640 -0.001 0.000 0.251 504 D C 1.589 177.877 176.300 -0.019 0.000 1.127 504 D CA -0.032 53.968 54.000 -0.001 0.000 0.876 504 D CB 0.937 41.761 40.800 0.040 0.000 1.176 504 D HN 0.561 nan 8.370 nan 0.000 0.446 505 I N 3.947 124.466 120.570 -0.086 0.000 2.252 505 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 505 I C 1.643 177.690 176.117 -0.117 0.000 1.102 505 I CA 1.603 62.822 61.300 -0.135 0.000 1.385 505 I CB -0.238 37.615 38.000 -0.245 0.000 1.064 505 I HN 0.588 nan 8.210 nan 0.000 0.414 506 H N -0.458 118.650 119.070 0.063 0.000 2.428 506 H HA -0.008 4.548 4.556 -0.001 0.000 0.296 506 H C 2.090 177.456 175.328 0.062 0.000 1.062 506 H CA 1.821 57.906 56.048 0.062 0.000 1.350 506 H CB -0.654 29.144 29.762 0.061 0.000 1.403 506 H HN 0.335 nan 8.280 nan 0.000 0.533 507 T N 0.460 115.102 114.554 0.148 0.000 2.942 507 T HA -0.054 4.295 4.350 -0.001 0.000 0.265 507 T C 2.021 176.768 174.700 0.079 0.000 1.062 507 T CA 0.790 62.949 62.100 0.098 0.000 1.139 507 T CB 0.361 69.270 68.868 0.069 0.000 0.883 507 T HN 0.280 nan 8.240 nan 0.000 0.468 508 K N 0.989 121.432 120.400 0.072 0.000 2.103 508 K HA -0.024 4.296 4.320 -0.001 0.000 0.204 508 K C 1.962 178.628 176.600 0.111 0.000 1.052 508 K CA 0.871 57.197 56.287 0.066 0.000 0.945 508 K CB 0.070 32.597 32.500 0.045 0.000 0.722 508 K HN 0.087 nan 8.250 nan 0.000 0.443 509 N N 0.907 119.707 118.700 0.167 0.000 2.250 509 N HA -0.164 4.575 4.740 -0.001 0.000 0.181 509 N C 1.634 177.274 175.510 0.215 0.000 1.017 509 N CA 0.811 54.036 53.050 0.292 0.000 0.866 509 N CB -0.152 38.522 38.487 0.312 0.000 0.985 509 N HN 0.337 nan 8.380 nan 0.000 0.429 510 Q N 0.886 120.768 119.800 0.137 0.000 2.014 510 Q HA -0.137 4.202 4.340 -0.001 0.000 0.207 510 Q C 1.967 177.990 176.000 0.039 0.000 0.993 510 Q CA 1.506 57.351 55.803 0.070 0.000 0.850 510 Q CB -0.173 28.605 28.738 0.067 0.000 0.916 510 Q HN 0.330 nan 8.270 nan 0.000 0.417 511 I N 0.794 121.392 120.570 0.046 0.000 2.179 511 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 511 I C 2.576 178.703 176.117 0.017 0.000 1.088 511 I CA 1.048 62.362 61.300 0.023 0.000 1.357 511 I CB -0.560 37.453 38.000 0.022 0.000 1.051 511 I HN 0.320 nan 8.210 nan 0.000 0.409 512 A N 0.690 123.534 122.820 0.040 0.000 1.940 512 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 512 A C 2.377 179.974 177.584 0.020 0.000 1.176 512 A CA 2.050 54.094 52.037 0.012 0.000 0.631 512 A CB -0.731 18.268 19.000 -0.001 0.000 0.814 512 A HN 0.468 nan 8.150 nan 0.000 0.446 513 A N -1.535 121.331 122.820 0.075 0.000 2.218 513 A HA 0.329 4.648 4.320 -0.001 0.000 0.209 513 A C 0.574 178.096 177.584 -0.104 0.000 1.168 513 A CA 0.779 52.800 52.037 -0.027 0.000 0.804 513 A CB -0.352 18.499 19.000 -0.249 0.000 0.834 513 A HN 0.576 nan 8.150 nan 0.000 0.482 514 E N -0.910 119.255 120.200 -0.058 0.000 2.287 514 E HA -0.156 4.194 4.350 -0.001 0.000 0.229 514 E C -0.868 175.690 176.600 -0.070 0.000 1.194 514 E CA 0.297 56.664 56.400 -0.054 0.000 0.704 514 E CB -1.943 27.727 29.700 -0.050 0.000 1.216 514 E HN 0.626 nan 8.360 nan 0.000 0.381 515 L N 0.499 121.681 121.223 -0.069 0.000 2.334 515 L HA 0.328 4.667 4.340 -0.001 0.000 0.275 515 L C -0.555 176.298 176.870 -0.028 0.000 1.036 515 L CA -1.986 52.815 54.840 -0.066 0.000 0.807 515 L CB 0.570 42.578 42.059 -0.085 0.000 1.231 515 L HN -0.034 nan 8.230 nan 0.000 0.438 516 P HA -0.069 nan 4.420 nan 0.000 0.216 516 P C 0.394 177.695 177.300 0.001 0.000 1.153 516 P CA 1.113 64.208 63.100 -0.007 0.000 0.848 516 P CB 0.095 31.791 31.700 -0.006 0.000 0.787 517 T N -4.468 110.090 114.554 0.005 0.000 2.907 517 T HA 0.438 4.788 4.350 -0.001 0.000 0.290 517 T C 0.937 175.650 174.700 0.022 0.000 1.066 517 T CA -0.916 61.191 62.100 0.012 0.000 1.012 517 T CB 2.622 71.497 68.868 0.011 0.000 1.184 517 T HN -0.136 nan 8.240 nan 0.000 0.522 518 R N -0.271 120.245 120.500 0.026 0.000 2.161 518 R HA -0.012 4.328 4.340 -0.001 0.000 0.213 518 R C 0.903 177.209 176.300 0.009 0.000 1.055 518 R CA 0.969 57.093 56.100 0.040 0.000 0.996 518 R CB -0.271 30.057 30.300 0.047 0.000 0.901 518 R HN 0.638 nan 8.270 nan 0.000 0.456 519 D N 0.089 120.489 120.400 -0.000 0.000 2.149 519 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 519 D C 1.349 177.657 176.300 0.014 0.000 0.972 519 D CA 0.932 54.926 54.000 -0.010 0.000 0.835 519 D CB -0.320 40.480 40.800 -0.000 0.000 0.966 519 D HN 0.352 nan 8.370 nan 0.000 0.476 520 N N 0.153 118.870 118.700 0.028 0.000 2.309 520 N HA -0.101 4.638 4.740 -0.001 0.000 0.182 520 N C 1.586 177.148 175.510 0.087 0.000 1.018 520 N CA 0.756 53.836 53.050 0.050 0.000 0.876 520 N CB 0.225 38.729 38.487 0.029 0.000 0.972 520 N HN 0.028 nan 8.380 nan 0.000 0.434 521 A N 1.082 123.948 122.820 0.077 0.000 1.968 521 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 521 A C 2.118 179.791 177.584 0.148 0.000 1.169 521 A CA 0.874 52.997 52.037 0.144 0.000 0.638 521 A CB -0.142 18.946 19.000 0.147 0.000 0.812 521 A HN 0.246 nan 8.150 nan 0.000 0.446 522 K N -1.106 119.294 120.400 0.000 0.000 2.001 522 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 522 K C 2.255 178.903 176.600 0.080 0.000 1.048 522 K CA 1.678 57.892 56.287 -0.122 0.000 0.932 522 K CB -0.466 31.880 32.500 -0.257 0.000 0.715 522 K HN 0.432 nan 8.250 nan 0.000 0.437 523 T N 0.346 114.968 114.554 0.114 0.000 2.833 523 T HA -0.159 4.190 4.350 -0.001 0.000 0.269 523 T C 1.547 176.325 174.700 0.129 0.000 1.054 523 T CA 1.010 63.199 62.100 0.148 0.000 1.135 523 T CB -0.240 68.698 68.868 0.117 0.000 0.869 523 T HN 0.245 nan 8.240 nan 0.000 0.466 524 F N 1.019 120.963 119.950 -0.011 0.000 2.098 524 F HA 0.120 4.646 4.527 -0.002 0.000 0.294 524 F C 1.832 177.573 175.800 -0.098 0.000 1.107 524 F CA 0.788 58.751 58.000 -0.061 0.000 1.234 524 F CB -0.788 38.133 39.000 -0.132 0.000 1.002 524 F HN 0.161 nan 8.300 nan 0.000 0.472 525 I N -0.324 119.920 120.570 -0.542 0.000 2.286 525 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 525 I C 1.857 177.666 176.117 -0.513 0.000 1.115 525 I CA 1.629 62.519 61.300 -0.683 0.000 1.392 525 I CB -0.735 37.017 38.000 -0.413 0.000 1.065 525 I HN 0.188 nan 8.210 nan 0.000 0.418 526 Y N 0.042 120.246 120.300 -0.160 0.000 2.337 526 Y HA 0.123 4.673 4.550 -0.001 0.000 0.293 526 Y C 2.528 178.345 175.900 -0.138 0.000 1.123 526 Y CA 0.833 58.832 58.100 -0.169 0.000 1.201 526 Y CB -1.301 37.195 38.460 0.060 0.000 1.011 526 Y HN 0.145 nan 8.280 nan 0.000 0.545 527 G N -0.298 108.519 108.800 0.029 0.000 2.421 527 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.216 527 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.216 527 G C 1.673 176.544 174.900 -0.048 0.000 1.171 527 G CA 0.943 46.068 45.100 0.042 0.000 0.775 527 G HN 0.410 nan 8.290 nan 0.000 0.543 528 F N 1.325 121.049 119.950 -0.377 0.000 2.051 528 F HA -0.035 4.491 4.527 -0.001 0.000 0.296 528 F C 2.263 177.885 175.800 -0.297 0.000 1.122 528 F CA 1.529 59.290 58.000 -0.398 0.000 1.201 528 F CB -0.701 37.837 39.000 -0.770 0.000 0.978 528 F HN 0.101 nan 8.300 nan 0.000 0.472 529 L N 0.104 120.827 121.223 -0.834 0.000 2.089 529 L HA -0.253 4.086 4.340 -0.001 0.000 0.213 529 L C 1.172 177.651 176.870 -0.652 0.000 1.079 529 L CA 1.868 56.150 54.840 -0.930 0.000 0.758 529 L CB -1.387 40.203 42.059 -0.781 0.000 0.891 529 L HN 0.328 nan 8.230 nan 0.000 0.433 530 Y N 0.423 120.612 120.300 -0.185 0.000 2.676 530 Y HA 0.486 5.036 4.550 -0.001 0.000 0.331 530 Y C 1.631 177.484 175.900 -0.078 0.000 1.128 530 Y CA -0.663 57.375 58.100 -0.104 0.000 1.360 530 Y CB -0.648 37.793 38.460 -0.032 0.000 1.176 530 Y HN 0.254 nan 8.280 nan 0.000 0.518 531 G N 0.069 108.846 108.800 -0.038 0.000 2.198 531 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.257 531 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.257 531 G C 0.359 175.284 174.900 0.042 0.000 1.042 531 G CA -0.031 45.069 45.100 -0.000 0.000 0.791 531 G HN 0.707 nan 8.290 nan 0.000 0.502 532 A N -0.117 122.723 122.820 0.034 0.000 2.425 532 A HA 0.741 5.060 4.320 -0.001 0.000 0.249 532 A C 1.328 178.950 177.584 0.064 0.000 1.084 532 A CA 0.846 52.921 52.037 0.064 0.000 0.781 532 A CB 0.492 19.537 19.000 0.075 0.000 1.019 532 A HN 1.801 nan 8.150 nan 0.000 0.490 533 G N 0.338 109.174 108.800 0.060 0.000 2.651 533 G HA2 0.313 4.273 3.960 -0.001 0.000 0.260 533 G HA3 0.313 4.273 3.960 -0.001 0.000 0.260 533 G C 0.248 175.195 174.900 0.078 0.000 1.216 533 G CA 0.005 45.139 45.100 0.056 0.000 0.913 533 G HN 0.694 nan 8.290 nan 0.000 0.535 534 D N -0.613 119.831 120.400 0.074 0.000 2.104 534 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 534 D C 1.964 178.311 176.300 0.079 0.000 0.994 534 D CA 1.417 55.468 54.000 0.084 0.000 0.830 534 D CB -0.077 40.764 40.800 0.068 0.000 0.959 534 D HN 0.713 nan 8.370 nan 0.000 0.452 535 E N 0.495 120.733 120.200 0.063 0.000 2.106 535 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 535 E C 1.879 178.520 176.600 0.067 0.000 0.984 535 E CA 0.933 57.368 56.400 0.059 0.000 0.806 535 E CB 0.184 29.913 29.700 0.048 0.000 0.750 535 E HN -0.099 nan 8.360 nan 0.000 0.458 536 K N 0.613 121.056 120.400 0.071 0.000 2.057 536 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 536 K C 1.872 178.532 176.600 0.100 0.000 1.049 536 K CA 0.993 57.327 56.287 0.078 0.000 0.931 536 K CB -0.196 32.349 32.500 0.075 0.000 0.714 536 K HN 0.148 nan 8.250 nan 0.000 0.440 537 I N 0.337 120.980 120.570 0.122 0.000 2.493 537 I HA -0.112 4.058 4.170 -0.001 0.000 0.254 537 I C 2.114 178.322 176.117 0.152 0.000 1.160 537 I CA 1.520 62.926 61.300 0.177 0.000 1.445 537 I CB -1.506 36.629 38.000 0.225 0.000 1.086 537 I HN 0.322 nan 8.210 nan 0.000 0.433 538 G N -0.111 108.752 108.800 0.104 0.000 2.394 538 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.214 538 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.214 538 G C 1.547 176.485 174.900 0.064 0.000 1.176 538 G CA 0.436 45.580 45.100 0.073 0.000 0.786 538 G HN 0.403 nan 8.290 nan 0.000 0.533 539 Q N -0.333 119.508 119.800 0.068 0.000 2.061 539 Q HA -0.134 4.205 4.340 -0.001 0.000 0.204 539 Q C 2.542 178.580 176.000 0.064 0.000 0.984 539 Q CA 1.276 57.115 55.803 0.059 0.000 0.846 539 Q CB -0.191 28.582 28.738 0.059 0.000 0.902 539 Q HN 0.413 nan 8.270 nan 0.000 0.421 540 I N 0.317 120.939 120.570 0.087 0.000 2.163 540 I HA -0.262 3.907 4.170 -0.001 0.000 0.243 540 I C 2.272 178.436 176.117 0.078 0.000 1.085 540 I CA 1.299 62.658 61.300 0.099 0.000 1.347 540 I CB -0.460 37.632 38.000 0.154 0.000 1.044 540 I HN 0.289 nan 8.210 nan 0.000 0.408 541 V N -1.735 118.217 119.914 0.064 0.000 3.541 541 V HA 0.435 4.554 4.120 -0.001 0.000 0.267 541 V C 1.351 177.445 176.094 0.001 0.000 1.213 541 V CA 0.318 62.622 62.300 0.006 0.000 1.149 541 V CB -0.832 30.956 31.823 -0.059 0.000 0.822 541 V HN 0.579 nan 8.190 nan 0.000 0.462 542 G N -0.424 108.387 108.800 0.019 0.000 2.291 542 G HA2 0.229 4.188 3.960 -0.001 0.000 0.271 542 G HA3 0.229 4.188 3.960 -0.001 0.000 0.271 542 G C 0.030 174.937 174.900 0.010 0.000 1.099 542 G CA 0.221 45.330 45.100 0.015 0.000 0.919 542 G HN 1.695 nan 8.290 nan 0.000 0.496 543 A N -1.532 121.298 122.820 0.017 0.000 2.733 543 A HA 1.072 5.391 4.320 -0.001 0.000 0.299 543 A C 0.655 178.254 177.584 0.026 0.000 1.252 543 A CA 0.240 52.286 52.037 0.015 0.000 0.677 543 A CB 0.454 19.457 19.000 0.005 0.000 1.361 543 A HN 1.863 nan 8.150 nan 0.000 0.528 544 G N -1.248 107.568 108.800 0.026 0.000 2.795 544 G HA2 0.481 4.441 3.960 -0.001 0.000 0.267 544 G HA3 0.481 4.441 3.960 -0.001 0.000 0.267 544 G C 0.510 175.434 174.900 0.040 0.000 1.362 544 G CA 0.167 45.286 45.100 0.033 0.000 1.048 544 G HN 0.984 nan 8.290 nan 0.000 0.547 545 K N -0.579 119.845 120.400 0.040 0.000 2.280 545 K HA -0.036 4.283 4.320 -0.001 0.000 0.202 545 K C 1.663 178.290 176.600 0.044 0.000 1.047 545 K CA 1.898 58.212 56.287 0.045 0.000 0.942 545 K CB -0.040 32.484 32.500 0.040 0.000 0.739 545 K HN 0.381 nan 8.250 nan 0.000 0.457 546 E N 1.312 121.533 120.200 0.035 0.000 2.028 546 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 546 E C 2.071 178.691 176.600 0.033 0.000 0.988 546 E CA 1.145 57.563 56.400 0.030 0.000 0.799 546 E CB -0.191 29.522 29.700 0.022 0.000 0.755 546 E HN 0.199 nan 8.360 nan 0.000 0.447 547 R N 0.941 121.459 120.500 0.029 0.000 2.115 547 R HA 0.002 4.342 4.340 -0.001 0.000 0.230 547 R C 2.128 178.456 176.300 0.047 0.000 1.111 547 R CA 1.609 57.723 56.100 0.024 0.000 0.976 547 R CB -0.979 29.326 30.300 0.009 0.000 0.870 547 R HN 0.283 nan 8.270 nan 0.000 0.445 548 G N 0.669 109.508 108.800 0.065 0.000 2.433 548 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 548 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 548 G C 1.182 176.150 174.900 0.114 0.000 1.186 548 G CA 0.882 46.044 45.100 0.103 0.000 0.779 548 G HN 0.358 nan 8.290 nan 0.000 0.543 549 K N 0.472 120.923 120.400 0.085 0.000 2.057 549 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 549 K C 2.433 179.083 176.600 0.083 0.000 1.049 549 K CA 1.351 57.688 56.287 0.083 0.000 0.931 549 K CB -0.206 32.330 32.500 0.058 0.000 0.714 549 K HN 0.430 nan 8.250 nan 0.000 0.440 550 E N 0.729 120.968 120.200 0.064 0.000 2.038 550 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 550 E C 2.000 178.646 176.600 0.077 0.000 1.000 550 E CA 1.053 57.484 56.400 0.051 0.000 0.803 550 E CB -0.082 29.634 29.700 0.028 0.000 0.750 550 E HN 0.056 nan 8.360 nan 0.000 0.448 551 L N 1.400 122.686 121.223 0.106 0.000 2.083 551 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 551 L C 2.092 179.095 176.870 0.223 0.000 1.083 551 L CA 1.632 56.587 54.840 0.190 0.000 0.752 551 L CB -0.472 41.675 42.059 0.147 0.000 0.899 551 L HN 0.007 nan 8.230 nan 0.000 0.433 552 K N 0.182 120.691 120.400 0.182 0.000 2.002 552 K HA -0.194 4.126 4.320 -0.001 0.000 0.209 552 K C 1.946 178.665 176.600 0.199 0.000 1.048 552 K CA 1.675 58.091 56.287 0.215 0.000 0.930 552 K CB -0.205 32.460 32.500 0.274 0.000 0.714 552 K HN 0.475 nan 8.250 nan 0.000 0.438 553 K N 0.816 121.302 120.400 0.143 0.000 2.288 553 K HA -0.053 4.266 4.320 -0.001 0.000 0.201 553 K C 2.091 178.725 176.600 0.056 0.000 1.048 553 K CA 0.840 57.189 56.287 0.103 0.000 0.956 553 K CB 0.063 32.604 32.500 0.069 0.000 0.746 553 K HN -0.163 nan 8.250 nan 0.000 0.461 554 K N 1.049 121.472 120.400 0.040 0.000 2.025 554 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 554 K C 1.640 178.145 176.600 -0.158 0.000 1.049 554 K CA 1.340 57.592 56.287 -0.057 0.000 0.933 554 K CB -0.193 32.276 32.500 -0.051 0.000 0.714 554 K HN 0.214 nan 8.250 nan 0.000 0.438 555 F N 0.535 120.365 119.950 -0.199 0.000 2.416 555 F HA -0.065 4.462 4.527 0.000 0.000 0.296 555 F C 2.064 177.809 175.800 -0.092 0.000 1.099 555 F CA 0.282 58.112 58.000 -0.283 0.000 1.427 555 F CB -0.143 38.411 39.000 -0.743 0.000 1.079 555 F HN 0.010 nan 8.300 nan 0.000 0.536 556 L N -0.049 121.302 121.223 0.214 0.000 2.313 556 L HA -0.028 4.311 4.340 -0.001 0.000 0.214 556 L C 1.931 178.863 176.870 0.103 0.000 1.119 556 L CA 1.599 56.611 54.840 0.288 0.000 0.809 556 L CB -0.582 41.675 42.059 0.331 0.000 0.933 556 L HN -0.060 nan 8.230 nan 0.000 0.449 557 E N -0.828 119.399 120.200 0.046 0.000 2.170 557 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 557 E C 1.946 178.534 176.600 -0.020 0.000 0.981 557 E CA 0.647 57.050 56.400 0.005 0.000 0.830 557 E CB -0.035 29.658 29.700 -0.012 0.000 0.775 557 E HN 0.494 nan 8.360 nan 0.000 0.470 558 N N -0.477 118.194 118.700 -0.048 0.000 2.142 558 N HA -0.084 4.655 4.740 -0.001 0.000 0.186 558 N C -0.061 175.432 175.510 -0.029 0.000 1.023 558 N CA 1.583 54.594 53.050 -0.064 0.000 0.852 558 N CB 0.191 38.594 38.487 -0.139 0.000 0.998 558 N HN 0.097 nan 8.380 nan 0.000 0.424 559 T N -1.899 112.640 114.554 -0.025 0.000 3.331 559 T HA 0.362 4.711 4.350 -0.001 0.000 0.381 559 T C -2.199 172.480 174.700 -0.034 0.000 1.656 559 T CA -1.694 60.374 62.100 -0.053 0.000 1.453 559 T CB 1.470 70.224 68.868 -0.190 0.000 1.066 559 T HN 0.054 nan 8.240 nan 0.000 0.655 560 P HA 0.040 nan 4.420 nan 0.000 0.234 560 P C 1.405 178.663 177.300 -0.071 0.000 1.167 560 P CA 0.330 63.413 63.100 -0.029 0.000 0.763 560 P CB -0.009 31.681 31.700 -0.017 0.000 0.835 561 A N -0.153 122.625 122.820 -0.070 0.000 2.168 561 A HA -0.037 4.283 4.320 -0.001 0.000 0.215 561 A C 2.164 179.621 177.584 -0.212 0.000 1.152 561 A CA 0.455 52.419 52.037 -0.122 0.000 0.716 561 A CB -1.258 17.750 19.000 0.014 0.000 0.794 561 A HN 0.143 nan 8.150 nan 0.000 0.465 562 I N -0.473 120.007 120.570 -0.151 0.000 2.252 562 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 562 I C 2.937 178.937 176.117 -0.195 0.000 1.102 562 I CA 1.036 62.240 61.300 -0.160 0.000 1.385 562 I CB -0.346 37.574 38.000 -0.134 0.000 1.064 562 I HN 0.368 nan 8.210 nan 0.000 0.414 563 A N 0.884 123.600 122.820 -0.173 0.000 1.877 563 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 563 A C 2.555 179.994 177.584 -0.243 0.000 1.186 563 A CA 1.804 53.742 52.037 -0.165 0.000 0.620 563 A CB -0.794 18.140 19.000 -0.110 0.000 0.822 563 A HN 0.418 nan 8.150 nan 0.000 0.443 564 A N -0.612 121.990 122.820 -0.363 0.000 1.933 564 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 564 A C 2.125 179.223 177.584 -0.809 0.000 1.175 564 A CA 1.727 53.418 52.037 -0.577 0.000 0.628 564 A CB -0.564 17.971 19.000 -0.776 0.000 0.814 564 A HN 0.681 nan 8.150 nan 0.000 0.444 565 L N -0.131 120.616 121.223 -0.792 0.000 2.027 565 L HA -0.091 4.249 4.340 -0.001 0.000 0.206 565 L C 2.401 179.153 176.870 -0.196 0.000 1.074 565 L CA 1.896 56.466 54.840 -0.450 0.000 0.745 565 L CB -0.632 41.316 42.059 -0.185 0.000 0.898 565 L HN 0.345 nan 8.230 nan 0.000 0.433 566 R N -0.336 120.054 120.500 -0.183 0.000 2.081 566 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 566 R C 2.152 178.392 176.300 -0.100 0.000 1.131 566 R CA 1.855 57.885 56.100 -0.116 0.000 0.960 566 R CB -0.414 29.818 30.300 -0.113 0.000 0.856 566 R HN 0.527 nan 8.270 nan 0.000 0.436 567 E N 0.309 120.435 120.200 -0.124 0.000 2.077 567 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 567 E C 2.127 178.694 176.600 -0.056 0.000 0.989 567 E CA 1.676 58.023 56.400 -0.090 0.000 0.800 567 E CB -0.038 29.604 29.700 -0.097 0.000 0.746 567 E HN 0.365 nan 8.360 nan 0.000 0.452 568 S N 0.868 116.545 115.700 -0.038 0.000 2.399 568 S HA -0.126 4.343 4.470 -0.001 0.000 0.231 568 S C 2.065 176.671 174.600 0.011 0.000 1.022 568 S CA 0.681 58.904 58.200 0.038 0.000 0.983 568 S CB -0.426 62.886 63.200 0.188 0.000 0.803 568 S HN 0.167 nan 8.310 nan 0.000 0.480 569 I N 1.327 121.888 120.570 -0.015 0.000 2.252 569 I HA -0.158 4.011 4.170 -0.001 0.000 0.245 569 I C 3.017 179.114 176.117 -0.033 0.000 1.102 569 I CA 1.170 62.452 61.300 -0.030 0.000 1.385 569 I CB -0.364 37.608 38.000 -0.048 0.000 1.064 569 I HN 0.295 nan 8.210 nan 0.000 0.414 570 Q N 0.450 120.222 119.800 -0.046 0.000 2.079 570 Q HA -0.241 4.098 4.340 -0.001 0.000 0.200 570 Q C 2.496 178.456 176.000 -0.067 0.000 0.974 570 Q CA 2.256 58.019 55.803 -0.066 0.000 0.840 570 Q CB -0.663 28.030 28.738 -0.075 0.000 0.898 570 Q HN 0.707 nan 8.270 nan 0.000 0.430 571 Q N 0.213 119.984 119.800 -0.048 0.000 2.226 571 Q HA -0.089 4.251 4.340 -0.001 0.000 0.204 571 Q C 2.009 177.986 176.000 -0.037 0.000 0.975 571 Q CA 1.853 57.632 55.803 -0.041 0.000 0.866 571 Q CB -0.937 27.788 28.738 -0.022 0.000 0.915 571 Q HN 0.492 nan 8.270 nan 0.000 0.440 572 T N 0.281 114.815 114.554 -0.033 0.000 2.978 572 T HA 0.157 4.506 4.350 -0.001 0.000 0.262 572 T C 1.897 176.576 174.700 -0.036 0.000 1.063 572 T CA 1.097 63.173 62.100 -0.040 0.000 1.140 572 T CB 0.006 68.848 68.868 -0.044 0.000 0.886 572 T HN 0.473 nan 8.240 nan 0.000 0.470 573 L N 0.217 121.434 121.223 -0.009 0.000 2.286 573 L HA 0.264 4.603 4.340 -0.001 0.000 0.203 573 L C 0.333 177.217 176.870 0.023 0.000 1.068 573 L CA 0.247 55.138 54.840 0.084 0.000 0.811 573 L CB 0.202 42.384 42.059 0.206 0.000 0.989 573 L HN 0.030 nan 8.230 nan 0.000 0.467 574 V N 0.731 120.553 119.914 -0.153 0.000 2.547 574 V HA 0.293 4.412 4.120 -0.001 0.000 0.299 574 V C -0.230 175.759 176.094 -0.175 0.000 1.040 574 V CA -0.668 61.456 62.300 -0.295 0.000 0.913 574 V CB 1.678 33.255 31.823 -0.409 0.000 0.992 574 V HN 0.324 nan 8.190 nan 0.000 0.449 588 W N 2.433 123.724 121.300 -0.014 0.000 2.335 588 W HA 0.452 5.111 4.660 -0.001 0.000 0.307 588 W C 1.045 177.543 176.519 -0.036 0.000 1.117 588 W CA -0.127 57.201 57.345 -0.028 0.000 1.228 588 W CB 1.288 30.737 29.460 -0.017 0.000 1.240 588 W HN 0.548 nan 8.180 nan 0.000 0.468 589 K N 1.743 122.246 120.400 0.172 0.000 2.098 589 K HA 0.086 4.406 4.320 -0.001 0.000 0.203 589 K C 0.484 177.117 176.600 0.055 0.000 1.051 589 K CA 0.940 57.270 56.287 0.071 0.000 0.957 589 K CB 0.286 32.794 32.500 0.013 0.000 0.738 589 K HN 0.404 nan 8.250 nan 0.000 0.447 590 R N -0.496 120.050 120.500 0.078 0.000 2.536 590 R HA 0.140 4.479 4.340 -0.001 0.000 0.269 590 R C -0.208 176.057 176.300 -0.058 0.000 1.113 590 R CA -0.435 55.599 56.100 -0.110 0.000 0.948 590 R CB 1.138 31.229 30.300 -0.349 0.000 1.237 590 R HN -0.061 nan 8.270 nan 0.000 0.441 591 R N 3.479 123.860 120.500 -0.198 0.000 2.140 591 R HA 0.144 4.483 4.340 -0.001 0.000 0.213 591 R C 0.152 176.281 176.300 -0.284 0.000 1.059 591 R CA 0.697 56.533 56.100 -0.439 0.000 1.000 591 R CB 0.148 30.126 30.300 -0.537 0.000 0.910 591 R HN 0.529 nan 8.270 nan 0.000 0.455 592 W N 0.158 121.364 121.300 -0.156 0.000 2.415 592 W HA 0.459 5.119 4.660 -0.001 0.000 0.355 592 W C -0.610 175.870 176.519 -0.065 0.000 1.161 592 W CA -0.998 56.279 57.345 -0.114 0.000 1.315 592 W CB 0.314 29.727 29.460 -0.078 0.000 1.261 592 W HN -0.284 nan 8.180 nan 0.000 0.636 593 I N 2.061 122.801 120.570 0.283 0.000 2.493 593 I HA 0.224 4.394 4.170 -0.001 0.000 0.298 593 I C 0.173 176.539 176.117 0.414 0.000 0.998 593 I CA -1.449 59.952 61.300 0.167 0.000 1.137 593 I CB 1.785 39.821 38.000 0.059 0.000 1.310 593 I HN 0.398 nan 8.210 nan 0.000 0.445 594 K N 3.921 124.531 120.400 0.349 0.000 2.316 594 K HA 0.397 4.716 4.320 -0.001 0.000 0.289 594 K C 0.218 176.936 176.600 0.197 0.000 1.070 594 K CA -0.229 56.293 56.287 0.391 0.000 0.928 594 K CB 0.839 33.557 32.500 0.364 0.000 1.039 594 K HN 0.870 nan 8.250 nan 0.000 0.480 595 G N 3.068 111.955 108.800 0.145 0.000 2.634 595 G HA2 0.078 4.037 3.960 -0.001 0.000 0.255 595 G HA3 0.078 4.037 3.960 -0.001 0.000 0.255 595 G C 1.056 175.927 174.900 -0.048 0.000 1.205 595 G CA -0.628 44.510 45.100 0.063 0.000 0.884 595 G HN 0.736 nan 8.290 nan 0.000 0.549 596 L N 0.044 121.142 121.223 -0.208 0.000 2.187 596 L HA -0.082 4.257 4.340 -0.001 0.000 0.213 596 L C 1.924 178.322 176.870 -0.787 0.000 1.100 596 L CA 1.571 56.025 54.840 -0.642 0.000 0.765 596 L CB -0.245 41.127 42.059 -1.146 0.000 0.904 596 L HN 0.674 nan 8.230 nan 0.000 0.437 597 D N -1.391 118.787 120.400 -0.370 0.000 2.368 597 D HA 0.133 4.772 4.640 -0.001 0.000 0.218 597 D C 1.372 177.697 176.300 0.042 0.000 1.112 597 D CA 0.585 54.588 54.000 0.006 0.000 0.834 597 D CB 0.478 41.436 40.800 0.264 0.000 0.953 597 D HN 0.234 nan 8.370 nan 0.000 0.505 598 G N 1.286 110.078 108.800 -0.014 0.000 2.241 598 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.244 598 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.244 598 G C 0.509 175.431 174.900 0.037 0.000 0.998 598 G CA 0.087 45.181 45.100 -0.010 0.000 0.621 598 G HN 0.709 nan 8.290 nan 0.000 0.519 599 R N 1.050 121.594 120.500 0.073 0.000 2.827 599 R HA 0.389 4.729 4.340 -0.001 0.000 0.269 599 R C -0.337 175.956 176.300 -0.011 0.000 1.048 599 R CA 0.176 56.338 56.100 0.105 0.000 1.173 599 R CB 0.417 30.849 30.300 0.221 0.000 1.070 599 R HN 0.250 nan 8.270 nan 0.000 0.498 600 K N 1.390 121.646 120.400 -0.239 0.000 2.258 600 K HA 0.239 4.559 4.320 -0.001 0.000 0.284 600 K C -0.932 175.647 176.600 -0.036 0.000 1.051 600 K CA -0.573 55.450 56.287 -0.440 0.000 0.923 600 K CB 1.810 33.695 32.500 -1.025 0.000 1.046 600 K HN 0.316 nan 8.250 nan 0.000 0.474 601 V N 3.927 123.923 119.914 0.137 0.000 2.293 601 V HA 0.035 4.155 4.120 -0.001 0.000 0.275 601 V C -0.249 175.946 176.094 0.169 0.000 1.021 601 V CA -0.870 61.511 62.300 0.135 0.000 0.815 601 V CB 0.327 32.217 31.823 0.111 0.000 1.025 601 V HN 0.723 nan 8.190 nan 0.000 0.448 602 H N 4.293 123.391 119.070 0.046 0.000 3.070 602 H HA 0.195 4.750 4.556 -0.001 0.000 0.313 602 H C -0.391 174.913 175.328 -0.040 0.000 0.997 602 H CA 0.377 56.429 56.048 0.007 0.000 1.438 602 H CB 0.751 30.497 29.762 -0.026 0.000 1.455 602 H HN 0.401 nan 8.280 nan 0.000 0.575 603 V N 8.094 127.655 119.914 -0.588 0.000 2.383 603 V HA 0.168 4.287 4.120 -0.001 0.000 0.275 603 V C 1.334 177.002 176.094 -0.709 0.000 1.036 603 V CA -0.331 61.685 62.300 -0.473 0.000 0.889 603 V CB 1.209 32.870 31.823 -0.269 0.000 0.985 603 V HN 0.904 nan 8.190 nan 0.000 0.459 604 R N 2.094 122.383 120.500 -0.352 0.000 2.075 604 R HA 0.102 4.441 4.340 -0.001 0.000 0.226 604 R C 0.805 177.119 176.300 0.024 0.000 1.114 604 R CA 0.855 56.855 56.100 -0.166 0.000 0.972 604 R CB 0.180 30.467 30.300 -0.021 0.000 0.869 604 R HN 0.613 nan 8.270 nan 0.000 0.437 605 S N -1.334 114.412 115.700 0.076 0.000 2.546 605 S HA 0.302 4.771 4.470 -0.001 0.000 0.274 605 S C -2.345 172.371 174.600 0.193 0.000 1.121 605 S CA -1.727 56.603 58.200 0.216 0.000 0.887 605 S CB 1.901 65.217 63.200 0.194 0.000 1.094 605 S HN -0.221 nan 8.310 nan 0.000 0.474 606 P HA -0.147 nan 4.420 nan 0.000 0.217 606 P C 1.153 178.487 177.300 0.057 0.000 1.148 606 P CA 1.193 64.335 63.100 0.070 0.000 0.828 606 P CB -0.145 31.506 31.700 -0.082 0.000 0.783 607 H N -1.411 117.663 119.070 0.007 0.000 2.548 607 H HA 0.281 4.836 4.556 -0.001 0.000 0.268 607 H C 1.010 176.340 175.328 0.003 0.000 0.975 607 H CA 1.106 57.153 56.048 -0.003 0.000 1.195 607 H CB -0.188 29.572 29.762 -0.004 0.000 1.397 607 H HN 0.017 nan 8.280 nan 0.000 0.572 608 A N 0.601 123.103 122.820 -0.531 0.000 2.465 608 A HA 0.606 4.926 4.320 -0.001 0.000 0.255 608 A C 2.206 179.660 177.584 -0.217 0.000 1.274 608 A CA 0.335 52.106 52.037 -0.443 0.000 0.920 608 A CB -0.249 18.443 19.000 -0.513 0.000 1.033 608 A HN 0.491 nan 8.150 nan 0.000 0.516 609 A N -0.164 122.586 122.820 -0.117 0.000 1.930 609 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 609 A C 1.918 179.459 177.584 -0.072 0.000 1.175 609 A CA 1.612 53.612 52.037 -0.063 0.000 0.627 609 A CB -0.378 18.621 19.000 -0.003 0.000 0.815 609 A HN 0.689 nan 8.150 nan 0.000 0.443 610 L N 0.700 121.896 121.223 -0.045 0.000 2.109 610 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 610 L C 2.000 178.880 176.870 0.018 0.000 1.086 610 L CA 2.211 57.058 54.840 0.012 0.000 0.760 610 L CB -0.763 41.347 42.059 0.086 0.000 0.910 610 L HN 0.554 nan 8.230 nan 0.000 0.437 611 N N -1.352 117.254 118.700 -0.157 0.000 2.244 611 N HA -0.179 4.560 4.740 -0.001 0.000 0.183 611 N C 1.442 176.780 175.510 -0.287 0.000 1.016 611 N CA 1.760 54.484 53.050 -0.543 0.000 0.866 611 N CB 0.125 38.136 38.487 -0.794 0.000 0.980 611 N HN 0.420 nan 8.380 nan 0.000 0.430 612 T N 1.626 116.070 114.554 -0.182 0.000 2.777 612 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 612 T C 1.922 176.583 174.700 -0.066 0.000 1.040 612 T CA 0.707 62.739 62.100 -0.113 0.000 1.141 612 T CB -0.239 68.573 68.868 -0.093 0.000 0.868 612 T HN 0.136 nan 8.240 nan 0.000 0.444 613 L N 0.907 122.080 121.223 -0.083 0.000 1.994 613 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 613 L C 2.144 179.012 176.870 -0.004 0.000 1.071 613 L CA 1.667 56.433 54.840 -0.123 0.000 0.745 613 L CB -0.590 41.298 42.059 -0.284 0.000 0.892 613 L HN 0.238 nan 8.230 nan 0.000 0.431 614 L N -1.161 120.110 121.223 0.080 0.000 2.072 614 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 614 L C 2.615 179.605 176.870 0.200 0.000 1.079 614 L CA 1.431 56.424 54.840 0.254 0.000 0.752 614 L CB -0.719 41.568 42.059 0.379 0.000 0.906 614 L HN 0.437 nan 8.230 nan 0.000 0.436 615 Q N -0.399 119.435 119.800 0.057 0.000 2.167 615 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 615 Q C 2.366 178.406 176.000 0.067 0.000 0.970 615 Q CA 1.631 57.441 55.803 0.010 0.000 0.855 615 Q CB 0.116 28.782 28.738 -0.120 0.000 0.911 615 Q HN 0.346 nan 8.270 nan 0.000 0.438 616 S N -0.640 115.107 115.700 0.079 0.000 2.371 616 S HA -0.049 4.420 4.470 -0.001 0.000 0.224 616 S C 1.879 176.578 174.600 0.165 0.000 1.029 616 S CA 0.910 59.175 58.200 0.108 0.000 0.978 616 S CB -0.179 63.072 63.200 0.085 0.000 0.833 616 S HN 0.524 nan 8.310 nan 0.000 0.466 617 A N 0.945 123.904 122.820 0.231 0.000 1.877 617 A HA 0.114 4.433 4.320 -0.001 0.000 0.216 617 A C 2.329 180.063 177.584 0.250 0.000 1.186 617 A CA 1.817 54.037 52.037 0.305 0.000 0.620 617 A CB -1.636 17.710 19.000 0.576 0.000 0.822 617 A HN 0.613 nan 8.150 nan 0.000 0.443 618 G N -0.695 108.252 108.800 0.244 0.000 2.422 618 G HA2 0.039 3.999 3.960 -0.001 0.000 0.218 618 G HA3 0.039 3.999 3.960 -0.001 0.000 0.218 618 G C 1.711 176.754 174.900 0.239 0.000 1.146 618 G CA 1.397 46.622 45.100 0.208 0.000 0.769 618 G HN 0.783 nan 8.290 nan 0.000 0.547 619 A N 0.578 123.539 122.820 0.235 0.000 1.898 619 A HA 0.147 4.466 4.320 -0.001 0.000 0.216 619 A C 2.404 180.211 177.584 0.372 0.000 1.181 619 A CA 1.126 53.343 52.037 0.299 0.000 0.620 619 A CB -0.348 18.785 19.000 0.221 0.000 0.819 619 A HN 0.340 nan 8.150 nan 0.000 0.442 620 L N -0.787 120.622 121.223 0.310 0.000 2.156 620 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 620 L C 2.439 179.629 176.870 0.534 0.000 1.095 620 L CA 0.830 55.890 54.840 0.367 0.000 0.770 620 L CB -0.525 41.656 42.059 0.203 0.000 0.914 620 L HN 0.356 nan 8.230 nan 0.000 0.439 621 I N -0.485 120.360 120.570 0.458 0.000 2.179 621 I HA -0.327 3.843 4.170 -0.001 0.000 0.242 621 I C 2.594 178.928 176.117 0.362 0.000 1.088 621 I CA 1.228 62.770 61.300 0.404 0.000 1.357 621 I CB -0.244 37.826 38.000 0.118 0.000 1.051 621 I HN 0.362 nan 8.210 nan 0.000 0.409 622 C N 0.304 119.852 119.300 0.413 0.000 2.435 622 C HA -0.143 4.317 4.460 -0.001 0.000 0.279 622 C C 2.773 178.079 174.990 0.527 0.000 1.321 622 C CA 0.696 60.081 59.018 0.612 0.000 1.752 622 C CB -0.911 27.276 27.740 0.743 0.000 1.959 622 C HN 0.428 nan 8.230 nan 0.000 0.500 623 K N 0.534 121.192 120.400 0.430 0.000 2.057 623 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 623 K C 2.024 178.663 176.600 0.065 0.000 1.050 623 K CA 1.016 57.399 56.287 0.161 0.000 0.935 623 K CB -0.253 32.431 32.500 0.308 0.000 0.715 623 K HN 0.429 nan 8.250 nan 0.000 0.439 624 L N 0.209 121.546 121.223 0.190 0.000 2.217 624 L HA -0.142 4.197 4.340 -0.001 0.000 0.211 624 L C 2.081 178.991 176.870 0.068 0.000 1.107 624 L CA 0.900 55.788 54.840 0.079 0.000 0.783 624 L CB -0.287 41.762 42.059 -0.016 0.000 0.919 624 L HN 0.453 nan 8.230 nan 0.000 0.442 625 W N 1.770 123.047 121.300 -0.038 0.000 2.355 625 W HA -0.242 4.417 4.660 -0.001 0.000 0.309 625 W C 2.330 178.786 176.519 -0.105 0.000 1.206 625 W CA 2.286 59.604 57.345 -0.046 0.000 1.284 625 W CB -0.513 28.957 29.460 0.016 0.000 1.145 625 W HN 0.272 nan 8.180 nan 0.000 0.502 626 I N -1.335 118.980 120.570 -0.426 0.000 2.394 626 I HA -0.190 3.979 4.170 -0.001 0.000 0.251 626 I C 2.127 178.010 176.117 -0.390 0.000 1.136 626 I CA 1.726 62.647 61.300 -0.631 0.000 1.425 626 I CB -0.778 36.783 38.000 -0.731 0.000 1.079 626 I HN 0.042 nan 8.210 nan 0.000 0.425 627 I N 1.187 121.569 120.570 -0.314 0.000 2.233 627 I HA -0.195 3.974 4.170 -0.001 0.000 0.243 627 I C 2.581 178.523 176.117 -0.292 0.000 1.093 627 I CA 1.244 62.383 61.300 -0.269 0.000 1.380 627 I CB -0.314 37.565 38.000 -0.201 0.000 1.067 627 I HN 0.174 nan 8.210 nan 0.000 0.413 628 K N 0.924 121.139 120.400 -0.309 0.000 2.097 628 K HA -0.104 4.216 4.320 -0.001 0.000 0.205 628 K C 1.989 178.379 176.600 -0.350 0.000 1.050 628 K CA 1.678 57.721 56.287 -0.406 0.000 0.938 628 K CB -0.516 31.706 32.500 -0.464 0.000 0.718 628 K HN 0.149 nan 8.250 nan 0.000 0.442 629 T N 0.851 115.210 114.554 -0.324 0.000 2.652 629 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 629 T C 1.565 176.089 174.700 -0.293 0.000 1.039 629 T CA 1.567 63.477 62.100 -0.317 0.000 1.153 629 T CB -0.275 68.319 68.868 -0.456 0.000 0.863 629 T HN 0.387 nan 8.240 nan 0.000 0.428 630 E N 0.754 120.809 120.200 -0.242 0.000 2.077 630 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 630 E C 2.227 178.723 176.600 -0.173 0.000 0.989 630 E CA 1.253 57.536 56.400 -0.196 0.000 0.800 630 E CB -0.089 29.489 29.700 -0.204 0.000 0.746 630 E HN 0.599 nan 8.360 nan 0.000 0.452 631 E N -0.213 119.858 120.200 -0.215 0.000 2.110 631 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 631 E C 2.187 178.660 176.600 -0.212 0.000 0.988 631 E CA 1.065 57.339 56.400 -0.210 0.000 0.804 631 E CB 0.023 29.560 29.700 -0.272 0.000 0.745 631 E HN 0.292 nan 8.360 nan 0.000 0.458 632 M N 0.094 119.544 119.600 -0.251 0.000 2.156 632 M HA -0.123 4.356 4.480 -0.001 0.000 0.264 632 M C 2.279 178.462 176.300 -0.195 0.000 1.067 632 M CA 1.066 56.230 55.300 -0.227 0.000 1.131 632 M CB -0.104 32.354 32.600 -0.237 0.000 1.368 632 M HN 0.197 nan 8.290 nan 0.000 0.416 633 L N -0.610 120.466 121.223 -0.245 0.000 2.017 633 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 633 L C 2.430 179.230 176.870 -0.117 0.000 1.073 633 L CA 0.969 55.641 54.840 -0.279 0.000 0.745 633 L CB -0.759 40.922 42.059 -0.631 0.000 0.894 633 L HN 0.123 nan 8.230 nan 0.000 0.432 634 V N 0.692 120.577 119.914 -0.049 0.000 2.407 634 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 634 V C 2.337 178.411 176.094 -0.033 0.000 1.055 634 V CA 2.098 64.411 62.300 0.020 0.000 1.049 634 V CB -0.717 31.117 31.823 0.019 0.000 0.662 634 V HN 0.653 nan 8.190 nan 0.000 0.455 635 E N 0.119 120.274 120.200 -0.075 0.000 2.511 635 E HA -0.125 4.224 4.350 -0.001 0.000 0.196 635 E C 1.497 178.057 176.600 -0.066 0.000 1.066 635 E CA 0.491 56.845 56.400 -0.076 0.000 0.871 635 E CB -0.141 29.500 29.700 -0.098 0.000 0.863 635 E HN 0.511 nan 8.360 nan 0.000 0.520 636 K N 0.069 120.429 120.400 -0.067 0.000 2.397 636 K HA 0.154 4.473 4.320 -0.001 0.000 0.202 636 K C 0.768 177.344 176.600 -0.040 0.000 1.022 636 K CA 0.373 56.623 56.287 -0.061 0.000 1.141 636 K CB 0.874 33.324 32.500 -0.083 0.000 0.857 636 K HN 0.322 nan 8.250 nan 0.000 0.514 637 G N 0.937 109.722 108.800 -0.025 0.000 2.217 637 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.246 637 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.246 637 G C -0.091 174.821 174.900 0.019 0.000 0.990 637 G CA -0.383 44.711 45.100 -0.010 0.000 0.627 637 G HN 0.074 nan 8.290 nan 0.000 0.522 638 L N 1.117 122.370 121.223 0.050 0.000 2.453 638 L HA 0.497 4.837 4.340 -0.001 0.000 0.272 638 L C 0.740 177.746 176.870 0.226 0.000 1.182 638 L CA 0.160 55.093 54.840 0.155 0.000 0.858 638 L CB 1.142 43.311 42.059 0.184 0.000 1.120 638 L HN 0.363 nan 8.230 nan 0.000 0.474 639 K N 2.548 123.020 120.400 0.119 0.000 2.182 639 K HA 0.256 4.576 4.320 -0.001 0.000 0.262 639 K C -0.805 175.540 176.600 -0.425 0.000 0.957 639 K CA -0.613 55.644 56.287 -0.050 0.000 0.842 639 K CB 0.651 33.121 32.500 -0.050 0.000 1.099 639 K HN 0.689 nan 8.250 nan 0.000 0.438 640 H N 2.076 120.731 119.070 -0.691 0.000 2.652 640 H HA 0.439 4.994 4.556 -0.001 0.000 0.298 640 H C -0.242 174.715 175.328 -0.619 0.000 1.076 640 H CA 0.236 55.616 56.048 -1.112 0.000 1.360 640 H CB 0.869 30.167 29.762 -0.773 0.000 1.421 640 H HN 0.910 nan 8.280 nan 0.000 0.464 641 G N 3.198 111.807 108.800 -0.318 0.000 2.345 641 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.310 641 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.310 641 G C -0.381 174.398 174.900 -0.201 0.000 1.476 641 G CA -0.766 44.142 45.100 -0.320 0.000 0.978 641 G HN 0.713 nan 8.290 nan 0.000 0.656 642 W N -0.052 121.182 121.300 -0.110 0.000 2.595 642 W HA 0.112 4.771 4.660 -0.001 0.000 0.257 642 W C 1.956 178.536 176.519 0.101 0.000 1.267 642 W CA 0.809 58.020 57.345 -0.223 0.000 1.300 642 W CB 0.369 29.599 29.460 -0.382 0.000 1.120 642 W HN 0.637 nan 8.180 nan 0.000 0.618 643 D N -1.221 119.339 120.400 0.267 0.000 2.358 643 D HA 0.168 4.807 4.640 -0.001 0.000 0.224 643 D C 1.018 177.426 176.300 0.180 0.000 1.123 643 D CA 0.273 54.403 54.000 0.216 0.000 0.833 643 D CB -0.436 40.436 40.800 0.120 0.000 0.946 643 D HN 0.088 nan 8.370 nan 0.000 0.505 644 G N -0.147 108.789 108.800 0.227 0.000 3.356 644 G HA2 0.195 4.155 3.960 -0.001 0.000 0.178 644 G HA3 0.195 4.155 3.960 -0.001 0.000 0.178 644 G C 0.131 175.116 174.900 0.142 0.000 1.130 644 G CA -0.239 44.931 45.100 0.118 0.000 0.800 644 G HN 0.002 nan 8.290 nan 0.000 0.669 645 D N -0.907 119.512 120.400 0.032 0.000 2.470 645 D HA 0.200 4.839 4.640 -0.001 0.000 0.238 645 D C 0.120 176.403 176.300 -0.028 0.000 1.054 645 D CA 0.571 54.549 54.000 -0.037 0.000 0.896 645 D CB 1.045 41.878 40.800 0.055 0.000 1.118 645 D HN 0.275 nan 8.370 nan 0.000 0.497 646 F N -0.009 119.934 119.950 -0.012 0.000 2.643 646 F HA 0.770 5.296 4.527 -0.001 0.000 0.314 646 F C -1.788 173.994 175.800 -0.030 0.000 1.096 646 F CA -1.660 56.337 58.000 -0.004 0.000 0.953 646 F CB 1.702 40.607 39.000 -0.159 0.000 1.345 646 F HN -0.168 nan 8.300 nan 0.000 0.468 647 A N 1.460 124.255 122.820 -0.042 0.000 2.485 647 A HA 0.567 4.886 4.320 -0.001 0.000 0.285 647 A C -2.241 175.248 177.584 -0.158 0.000 1.045 647 A CA -0.568 51.241 52.037 -0.380 0.000 0.792 647 A CB 0.115 18.361 19.000 -1.255 0.000 1.307 647 A HN 0.696 nan 8.150 nan 0.000 0.406 648 Y N 2.499 122.705 120.300 -0.158 0.000 2.632 648 Y HA 0.193 4.743 4.550 -0.001 0.000 0.329 648 Y C 1.511 177.265 175.900 -0.243 0.000 1.174 648 Y CA 0.449 58.459 58.100 -0.149 0.000 1.469 648 Y CB 0.678 39.127 38.460 -0.018 0.000 1.242 648 Y HN 0.732 nan 8.280 nan 0.000 0.540 649 M N 2.060 121.480 119.600 -0.300 0.000 2.653 649 M HA 0.397 4.877 4.480 -0.001 0.000 0.259 649 M C 0.269 176.301 176.300 -0.446 0.000 1.244 649 M CA 0.423 55.417 55.300 -0.510 0.000 1.163 649 M CB 0.691 32.632 32.600 -1.100 0.000 1.309 649 M HN 0.558 nan 8.290 nan 0.000 0.509 650 A N -0.284 122.305 122.820 -0.384 0.000 2.594 650 A HA 0.544 4.864 4.320 -0.001 0.000 0.296 650 A C -2.616 174.964 177.584 -0.006 0.000 1.061 650 A CA -0.421 51.526 52.037 -0.150 0.000 0.689 650 A CB 0.911 19.787 19.000 -0.206 0.000 1.280 650 A HN 0.364 nan 8.150 nan 0.000 0.406 651 W N 2.533 123.790 121.300 -0.072 0.000 2.543 651 W HA 0.592 5.251 4.660 -0.001 0.000 0.318 651 W C -1.817 174.672 176.519 -0.051 0.000 1.002 651 W CA -0.924 56.412 57.345 -0.015 0.000 1.302 651 W CB 1.598 31.112 29.460 0.091 0.000 1.299 651 W HN 0.483 nan 8.180 nan 0.000 0.424 652 V N 9.434 129.193 119.914 -0.257 0.000 2.204 652 V HA 0.230 4.350 4.120 -0.001 0.000 0.264 652 V C 0.716 176.522 176.094 -0.481 0.000 1.106 652 V CA -0.062 61.908 62.300 -0.550 0.000 0.947 652 V CB -0.145 31.555 31.823 -0.207 0.000 1.164 652 V HN 0.805 nan 8.190 nan 0.000 0.461 653 H N 2.600 121.319 119.070 -0.586 0.000 4.080 653 H HA -0.214 4.341 4.556 -0.001 0.000 0.083 653 H C 1.160 176.540 175.328 0.087 0.000 0.599 653 H CA 2.191 58.038 56.048 -0.334 0.000 1.322 653 H CB -0.933 28.759 29.762 -0.116 0.000 1.340 653 H HN 0.840 nan 8.280 nan 0.000 0.865 654 D N 2.232 122.845 120.400 0.355 0.000 2.623 654 D HA 0.238 4.877 4.640 -0.001 0.000 0.252 654 D C 0.188 176.809 176.300 0.535 0.000 1.294 654 D CA 0.409 54.687 54.000 0.463 0.000 0.824 654 D CB 0.209 41.160 40.800 0.252 0.000 1.070 654 D HN 0.741 nan 8.370 nan 0.000 0.487 655 E N 0.326 120.867 120.200 0.568 0.000 2.356 655 E HA 0.565 4.915 4.350 -0.001 0.000 0.275 655 E C -0.824 176.030 176.600 0.422 0.000 0.904 655 E CA -1.163 55.540 56.400 0.504 0.000 0.757 655 E CB 2.154 32.033 29.700 0.298 0.000 1.232 655 E HN 0.177 nan 8.360 nan 0.000 0.442 656 I N -0.663 120.045 120.570 0.230 0.000 2.608 656 I HA 0.519 4.689 4.170 -0.001 0.000 0.295 656 I C -0.997 174.996 176.117 -0.208 0.000 1.049 656 I CA -1.139 60.113 61.300 -0.080 0.000 1.063 656 I CB 2.180 39.919 38.000 -0.434 0.000 1.248 656 I HN 0.349 nan 8.210 nan 0.000 0.424 657 Q N 4.774 124.349 119.800 -0.375 0.000 2.339 657 Q HA 0.547 4.886 4.340 -0.001 0.000 0.268 657 Q C -1.110 174.591 176.000 -0.499 0.000 1.027 657 Q CA -0.619 54.912 55.803 -0.454 0.000 0.759 657 Q CB 2.879 31.181 28.738 -0.726 0.000 1.244 657 Q HN 0.642 nan 8.270 nan 0.000 0.464 658 V N 1.027 120.715 119.914 -0.377 0.000 2.495 658 V HA 0.653 4.772 4.120 -0.001 0.000 0.298 658 V C 0.567 176.604 176.094 -0.095 0.000 1.031 658 V CA -0.961 61.154 62.300 -0.308 0.000 0.871 658 V CB 1.893 33.501 31.823 -0.359 0.000 0.988 658 V HN 0.788 nan 8.190 nan 0.000 0.432 659 G N 2.479 111.298 108.800 0.031 0.000 2.390 659 G HA2 0.452 4.411 3.960 -0.001 0.000 0.270 659 G HA3 0.452 4.411 3.960 -0.001 0.000 0.270 659 G C -0.468 174.710 174.900 0.464 0.000 1.211 659 G CA -0.122 45.188 45.100 0.350 0.000 0.842 659 G HN 0.806 nan 8.290 nan 0.000 0.519 660 C N 2.295 121.805 119.300 0.351 0.000 2.482 660 C HA 0.445 4.905 4.460 -0.001 0.000 0.317 660 C C 1.648 176.292 174.990 -0.576 0.000 1.197 660 C CA -0.785 58.196 59.018 -0.061 0.000 1.432 660 C CB 1.697 29.396 27.740 -0.069 0.000 2.062 660 C HN 1.064 nan 8.230 nan 0.000 0.471 661 R N 1.226 120.944 120.500 -1.303 0.000 2.127 661 R HA -0.079 4.260 4.340 -0.001 0.000 0.238 661 R C 0.879 176.779 176.300 -0.666 0.000 1.134 661 R CA 1.959 57.102 56.100 -1.595 0.000 0.975 661 R CB 0.122 29.741 30.300 -1.135 0.000 0.865 661 R HN 0.931 nan 8.270 nan 0.000 0.447 662 T N -4.450 109.871 114.554 -0.389 0.000 2.865 662 T HA 0.233 4.582 4.350 -0.001 0.000 0.294 662 T C 0.402 175.022 174.700 -0.134 0.000 1.119 662 T CA -0.963 61.014 62.100 -0.205 0.000 1.007 662 T CB 1.844 70.620 68.868 -0.154 0.000 1.225 662 T HN 0.078 nan 8.240 nan 0.000 0.515 663 E N 0.114 120.264 120.200 -0.083 0.000 2.150 663 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 663 E C 1.791 178.358 176.600 -0.056 0.000 0.985 663 E CA 1.352 57.720 56.400 -0.054 0.000 0.814 663 E CB 0.029 29.709 29.700 -0.033 0.000 0.752 663 E HN 0.872 nan 8.360 nan 0.000 0.466 664 E N 1.612 121.775 120.200 -0.063 0.000 2.051 664 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 664 E C 1.907 178.464 176.600 -0.071 0.000 0.991 664 E CA 1.225 57.590 56.400 -0.059 0.000 0.799 664 E CB -0.273 29.392 29.700 -0.057 0.000 0.748 664 E HN 0.231 nan 8.360 nan 0.000 0.449 665 I N 0.745 121.260 120.570 -0.091 0.000 2.315 665 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 665 I C 2.489 178.544 176.117 -0.103 0.000 1.117 665 I CA 0.958 62.197 61.300 -0.102 0.000 1.404 665 I CB -0.409 37.516 38.000 -0.124 0.000 1.071 665 I HN 0.292 nan 8.210 nan 0.000 0.419 666 A N -0.011 122.757 122.820 -0.088 0.000 1.930 666 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 666 A C 2.329 179.874 177.584 -0.066 0.000 1.175 666 A CA 1.563 53.556 52.037 -0.072 0.000 0.627 666 A CB -0.619 18.355 19.000 -0.044 0.000 0.815 666 A HN 0.491 nan 8.150 nan 0.000 0.443 667 Q N -0.174 119.593 119.800 -0.056 0.000 2.124 667 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 667 Q C 1.916 177.883 176.000 -0.056 0.000 0.977 667 Q CA 1.872 57.649 55.803 -0.043 0.000 0.850 667 Q CB -0.143 28.574 28.738 -0.035 0.000 0.901 667 Q HN 0.447 nan 8.270 nan 0.000 0.429 668 V N -0.033 119.835 119.914 -0.077 0.000 2.453 668 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 668 V C 2.313 178.330 176.094 -0.128 0.000 1.048 668 V CA 1.195 63.439 62.300 -0.094 0.000 1.049 668 V CB -0.286 31.476 31.823 -0.103 0.000 0.672 668 V HN 0.214 nan 8.190 nan 0.000 0.457 669 V N 0.005 119.822 119.914 -0.162 0.000 2.407 669 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 669 V C 2.183 178.191 176.094 -0.144 0.000 1.055 669 V CA 2.135 64.303 62.300 -0.220 0.000 1.049 669 V CB -0.456 31.216 31.823 -0.251 0.000 0.662 669 V HN 0.453 nan 8.190 nan 0.000 0.455 670 I N -0.289 120.231 120.570 -0.084 0.000 2.315 670 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 670 I C 2.485 178.600 176.117 -0.003 0.000 1.117 670 I CA 1.531 62.817 61.300 -0.024 0.000 1.404 670 I CB -0.321 37.675 38.000 -0.007 0.000 1.071 670 I HN 0.398 nan 8.210 nan 0.000 0.419 671 E N 0.158 120.343 120.200 -0.025 0.000 2.107 671 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 671 E C 2.092 178.684 176.600 -0.014 0.000 0.982 671 E CA 1.507 57.899 56.400 -0.013 0.000 0.809 671 E CB -0.062 29.623 29.700 -0.026 0.000 0.756 671 E HN 0.397 nan 8.360 nan 0.000 0.459 672 T N 0.937 115.459 114.554 -0.054 0.000 2.821 672 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 672 T C 2.000 176.687 174.700 -0.022 0.000 1.046 672 T CA 1.105 63.160 62.100 -0.074 0.000 1.139 672 T CB -0.155 68.619 68.868 -0.157 0.000 0.871 672 T HN 0.224 nan 8.240 nan 0.000 0.454 673 A N 1.217 124.044 122.820 0.012 0.000 1.972 673 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 673 A C 2.254 180.043 177.584 0.342 0.000 1.169 673 A CA 1.780 53.933 52.037 0.193 0.000 0.635 673 A CB -0.590 18.537 19.000 0.210 0.000 0.810 673 A HN 0.430 nan 8.150 nan 0.000 0.446 674 Q N 0.258 120.160 119.800 0.169 0.000 2.123 674 Q HA -0.118 4.221 4.340 -0.001 0.000 0.199 674 Q C 1.723 177.786 176.000 0.104 0.000 0.966 674 Q CA 2.125 57.997 55.803 0.115 0.000 0.845 674 Q CB -0.358 28.419 28.738 0.064 0.000 0.907 674 Q HN 0.736 nan 8.270 nan 0.000 0.439 675 E N -0.442 119.811 120.200 0.089 0.000 2.106 675 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 675 E C 1.804 178.488 176.600 0.140 0.000 0.984 675 E CA 0.885 57.335 56.400 0.084 0.000 0.806 675 E CB -0.163 29.558 29.700 0.036 0.000 0.750 675 E HN 0.493 nan 8.360 nan 0.000 0.458 676 A N 0.743 123.655 122.820 0.153 0.000 1.968 676 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 676 A C 2.045 179.843 177.584 0.357 0.000 1.169 676 A CA 1.093 53.254 52.037 0.206 0.000 0.638 676 A CB -0.257 18.818 19.000 0.125 0.000 0.812 676 A HN 0.171 nan 8.150 nan 0.000 0.446 677 M N -0.464 119.309 119.600 0.288 0.000 2.156 677 M HA 0.004 4.483 4.480 -0.001 0.000 0.264 677 M C 1.872 178.202 176.300 0.050 0.000 1.067 677 M CA 1.286 56.621 55.300 0.058 0.000 1.131 677 M CB -0.317 32.154 32.600 -0.214 0.000 1.368 677 M HN 0.238 nan 8.290 nan 0.000 0.416 678 R N -1.321 119.229 120.500 0.084 0.000 2.115 678 R HA -0.162 4.178 4.340 -0.001 0.000 0.230 678 R C 2.069 178.418 176.300 0.083 0.000 1.111 678 R CA 1.551 57.688 56.100 0.062 0.000 0.976 678 R CB -1.516 28.824 30.300 0.066 0.000 0.870 678 R HN 0.653 nan 8.270 nan 0.000 0.445 679 W N 1.287 122.570 121.300 -0.027 0.000 2.379 679 W HA -0.172 4.487 4.660 -0.001 0.000 0.307 679 W C 1.908 178.380 176.519 -0.079 0.000 1.200 679 W CA 1.159 58.477 57.345 -0.045 0.000 1.297 679 W CB -0.205 29.218 29.460 -0.061 0.000 1.140 679 W HN -0.222 nan 8.180 nan 0.000 0.507 680 V N 1.277 121.288 119.914 0.162 0.000 2.287 680 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 680 V C 2.457 178.403 176.094 -0.248 0.000 1.053 680 V CA 2.158 64.394 62.300 -0.106 0.000 1.027 680 V CB -1.736 30.102 31.823 0.025 0.000 0.646 680 V HN 0.443 nan 8.190 nan 0.000 0.447 681 G N -0.490 108.219 108.800 -0.151 0.000 2.418 681 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.217 681 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.217 681 G C 1.315 176.176 174.900 -0.066 0.000 1.158 681 G CA 1.209 46.241 45.100 -0.114 0.000 0.771 681 G HN 0.604 nan 8.290 nan 0.000 0.545 682 D N -0.932 119.376 120.400 -0.153 0.000 2.183 682 D HA -0.111 4.528 4.640 -0.001 0.000 0.203 682 D C 2.041 178.182 176.300 -0.266 0.000 0.969 682 D CA 0.859 54.756 54.000 -0.172 0.000 0.842 682 D CB -0.143 40.537 40.800 -0.200 0.000 0.957 682 D HN 0.431 nan 8.370 nan 0.000 0.484 683 H N -1.102 117.598 119.070 -0.616 0.000 2.321 683 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 683 H C 0.753 175.878 175.328 -0.339 0.000 1.087 683 H CA 1.714 57.306 56.048 -0.760 0.000 1.319 683 H CB -0.060 28.891 29.762 -1.351 0.000 1.379 683 H HN 0.249 nan 8.280 nan 0.000 0.501 684 W N 1.147 122.341 121.300 -0.178 0.000 3.223 684 W HA 0.287 4.946 4.660 -0.001 0.000 0.389 684 W C -0.031 176.485 176.519 -0.005 0.000 1.118 684 W CA -0.251 57.032 57.345 -0.103 0.000 1.902 684 W CB -0.604 28.857 29.460 0.002 0.000 1.094 684 W HN 0.261 nan 8.180 nan 0.000 0.666 685 N N 0.510 119.296 118.700 0.142 0.000 2.714 685 N HA -0.257 4.482 4.740 -0.001 0.000 0.252 685 N C -0.390 175.242 175.510 0.203 0.000 1.014 685 N CA 0.898 54.022 53.050 0.123 0.000 0.735 685 N CB -1.813 36.724 38.487 0.082 0.000 0.924 685 N HN -0.030 nan 8.380 nan 0.000 0.540 686 F N 1.078 121.009 119.950 -0.032 0.000 2.563 686 F HA 0.032 4.558 4.527 -0.001 0.000 0.363 686 F C 2.138 177.976 175.800 0.063 0.000 1.123 686 F CA -0.119 57.813 58.000 -0.113 0.000 1.307 686 F CB 0.627 39.520 39.000 -0.178 0.000 1.115 686 F HN -0.010 nan 8.300 nan 0.000 0.592 687 R N 2.163 122.718 120.500 0.091 0.000 2.310 687 R HA 0.101 4.440 4.340 -0.001 0.000 0.202 687 R C -0.368 175.957 176.300 0.042 0.000 0.933 687 R CA 0.214 56.343 56.100 0.048 0.000 1.054 687 R CB -0.517 29.753 30.300 -0.050 0.000 0.985 687 R HN 0.397 nan 8.270 nan 0.000 0.489 688 C N 1.147 120.502 119.300 0.092 0.000 2.535 688 C HA 0.414 4.874 4.460 -0.001 0.000 0.319 688 C C -0.394 174.718 174.990 0.204 0.000 1.171 688 C CA -1.316 57.781 59.018 0.132 0.000 1.394 688 C CB 0.659 28.475 27.740 0.127 0.000 1.990 688 C HN 0.348 nan 8.230 nan 0.000 0.466 689 L N 6.105 127.395 121.223 0.112 0.000 2.462 689 L HA 0.417 4.756 4.340 -0.001 0.000 0.272 689 L C -0.382 176.528 176.870 0.067 0.000 1.166 689 L CA 0.691 55.579 54.840 0.081 0.000 0.880 689 L CB 0.353 42.437 42.059 0.043 0.000 1.142 689 L HN 0.594 nan 8.230 nan 0.000 0.473 690 L N 5.128 126.373 121.223 0.036 0.000 2.307 690 L HA 0.508 4.847 4.340 -0.001 0.000 0.282 690 L C -0.354 176.489 176.870 -0.046 0.000 1.051 690 L CA -0.493 54.334 54.840 -0.022 0.000 0.804 690 L CB 1.182 43.182 42.059 -0.098 0.000 1.197 690 L HN 0.608 nan 8.230 nan 0.000 0.431 691 D N 0.362 120.724 120.400 -0.064 0.000 2.552 691 D HA 0.578 5.217 4.640 -0.001 0.000 0.239 691 D C -0.704 175.537 176.300 -0.099 0.000 1.139 691 D CA -0.181 53.783 54.000 -0.059 0.000 0.914 691 D CB 2.779 43.565 40.800 -0.023 0.000 1.461 691 D HN 0.567 nan 8.370 nan 0.000 0.462 692 T N -2.822 111.693 114.554 -0.064 0.000 2.887 692 T HA 0.623 4.972 4.350 -0.001 0.000 0.292 692 T C -0.802 173.911 174.700 0.022 0.000 1.087 692 T CA -0.876 61.193 62.100 -0.052 0.000 1.009 692 T CB 2.628 71.475 68.868 -0.034 0.000 1.203 692 T HN 0.335 nan 8.240 nan 0.000 0.518 693 E N -0.071 120.164 120.200 0.059 0.000 2.241 693 E HA 0.557 4.907 4.350 -0.001 0.000 0.263 693 E C -0.473 176.190 176.600 0.104 0.000 0.882 693 E CA -0.889 55.555 56.400 0.074 0.000 0.769 693 E CB 1.188 30.933 29.700 0.075 0.000 1.185 693 E HN 1.002 nan 8.360 nan 0.000 0.415 694 G N 3.401 112.253 108.800 0.088 0.000 2.400 694 G HA2 0.530 4.489 3.960 -0.001 0.000 0.333 694 G HA3 0.530 4.489 3.960 -0.001 0.000 0.333 694 G C -0.983 173.964 174.900 0.080 0.000 1.143 694 G CA -0.544 44.611 45.100 0.091 0.000 0.914 694 G HN 0.409 nan 8.290 nan 0.000 0.480 695 K N 1.251 121.703 120.400 0.086 0.000 2.482 695 K HA 0.345 4.664 4.320 -0.001 0.000 0.251 695 K C -0.836 175.806 176.600 0.069 0.000 0.936 695 K CA -0.591 55.745 56.287 0.083 0.000 0.791 695 K CB 2.802 35.371 32.500 0.115 0.000 1.213 695 K HN 0.496 nan 8.250 nan 0.000 0.428 696 M N 1.773 121.405 119.600 0.055 0.000 2.363 696 M HA 0.604 5.083 4.480 -0.001 0.000 0.343 696 M C -0.382 175.954 176.300 0.059 0.000 1.165 696 M CA 0.113 55.440 55.300 0.045 0.000 1.046 696 M CB 1.486 34.102 32.600 0.025 0.000 1.648 696 M HN 0.865 nan 8.290 nan 0.000 0.452 697 G N 3.293 112.132 108.800 0.065 0.000 2.356 697 G HA2 0.342 4.302 3.960 -0.001 0.000 0.294 697 G HA3 0.342 4.302 3.960 -0.001 0.000 0.294 697 G C -3.149 171.798 174.900 0.079 0.000 1.423 697 G CA -0.694 44.451 45.100 0.075 0.000 0.806 697 G HN 0.421 nan 8.290 nan 0.000 0.527 698 P HA 0.064 nan 4.420 nan 0.000 0.227 698 P C 0.230 177.571 177.300 0.068 0.000 1.161 698 P CA 0.980 64.109 63.100 0.050 0.000 0.788 698 P CB 0.218 31.925 31.700 0.013 0.000 0.822 699 N N -3.541 115.239 118.700 0.132 0.000 3.243 699 N HA 0.058 4.797 4.740 -0.001 0.000 0.280 699 N C 0.034 175.749 175.510 0.342 0.000 1.545 699 N CA -0.868 52.320 53.050 0.230 0.000 0.854 699 N CB -0.473 38.142 38.487 0.215 0.000 1.612 699 N HN -0.314 nan 8.380 nan 0.000 0.577 700 W N 0.279 121.720 121.300 0.237 0.000 2.425 700 W HA 0.244 4.903 4.660 -0.001 0.000 0.277 700 W C 1.850 178.471 176.519 0.170 0.000 1.231 700 W CA 1.566 59.039 57.345 0.214 0.000 1.248 700 W CB -1.124 28.440 29.460 0.174 0.000 1.117 700 W HN 0.777 nan 8.180 nan 0.000 0.568 701 A N -0.209 122.826 122.820 0.359 0.000 1.969 701 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 701 A C 2.023 179.727 177.584 0.199 0.000 1.169 701 A CA 1.721 53.886 52.037 0.213 0.000 0.635 701 A CB -0.650 18.446 19.000 0.161 0.000 0.810 701 A HN 0.265 nan 8.150 nan 0.000 0.445 702 I N -1.620 119.080 120.570 0.216 0.000 3.035 702 I HA -0.077 4.092 4.170 -0.001 0.000 0.271 702 I C 1.027 177.261 176.117 0.195 0.000 1.190 702 I CA 0.280 61.682 61.300 0.169 0.000 1.472 702 I CB 0.131 38.210 38.000 0.132 0.000 1.116 702 I HN 0.233 nan 8.210 nan 0.000 0.443 703 C N 0.317 119.782 119.300 0.275 0.000 2.559 703 C HA 0.255 4.715 4.460 -0.001 0.000 0.300 703 C C 0.688 175.923 174.990 0.408 0.000 1.288 703 C CA -0.039 59.146 59.018 0.278 0.000 1.699 703 C CB -2.102 25.767 27.740 0.216 0.000 1.819 703 C HN 0.470 nan 8.230 nan 0.000 0.600 704 H N 0.000 119.238 119.070 0.280 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 704 H CA 0.000 56.201 56.048 0.256 0.000 1.023 704 H CB 0.000 30.011 29.762 0.414 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496