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 1skr_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 TPKVGGIXXX DATA SEQUENCE XXXXXXXXXX XXXXXDTREY 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 0.000 176.395 176.300 0.159 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 I N 1.775 122.389 120.570 0.075 0.000 2.892 2 I HA 0.923 5.092 4.170 -0.001 0.000 0.306 2 I C -1.475 174.662 176.117 0.034 0.000 1.078 2 I CA -1.069 60.258 61.300 0.045 0.000 1.032 2 I CB 2.378 40.350 38.000 -0.046 0.000 1.229 2 I HN 0.433 nan 8.210 nan 0.000 0.435 3 V N 2.915 122.860 119.914 0.052 0.000 2.495 3 V HA 0.678 4.798 4.120 -0.001 0.000 0.298 3 V C -0.084 176.004 176.094 -0.010 0.000 1.031 3 V CA -0.226 62.085 62.300 0.018 0.000 0.871 3 V CB 1.345 33.214 31.823 0.076 0.000 0.988 3 V HN 0.906 nan 8.190 nan 0.000 0.432 4 S N 2.385 118.005 115.700 -0.133 0.000 2.685 4 S HA 0.804 5.273 4.470 -0.001 0.000 0.282 4 S C -1.973 172.757 174.600 0.217 0.000 1.159 4 S CA -0.470 57.729 58.200 -0.002 0.000 0.833 4 S CB 2.152 65.294 63.200 -0.096 0.000 1.151 4 S HN 1.004 nan 8.310 nan 0.000 0.485 5 D N -0.124 120.532 120.400 0.427 0.000 2.685 5 D HA 0.510 5.150 4.640 -0.001 0.000 0.236 5 D C -1.239 175.262 176.300 0.335 0.000 1.233 5 D CA -0.482 53.804 54.000 0.477 0.000 0.760 5 D CB 1.114 42.104 40.800 0.317 0.000 1.410 5 D HN 0.696 nan 8.370 nan 0.000 0.439 6 I N -1.488 119.237 120.570 0.258 0.000 3.145 6 I HA 0.775 4.944 4.170 -0.001 0.000 0.313 6 I C -1.202 174.921 176.117 0.010 0.000 1.122 6 I CA -0.701 60.631 61.300 0.054 0.000 0.987 6 I CB 2.387 40.441 38.000 0.091 0.000 1.236 6 I HN 0.124 nan 8.210 nan 0.000 0.453 7 E N 2.579 122.692 120.200 -0.145 0.000 2.224 7 E HA 0.746 5.095 4.350 -0.001 0.000 0.265 7 E C -1.098 175.443 176.600 -0.099 0.000 0.878 7 E CA -0.698 55.683 56.400 -0.032 0.000 0.759 7 E CB 2.249 31.997 29.700 0.080 0.000 1.164 7 E HN 0.879 nan 8.360 nan 0.000 0.414 8 A N 2.328 125.133 122.820 -0.026 0.000 2.486 8 A HA 0.409 4.729 4.320 -0.001 0.000 0.289 8 A C 0.653 178.232 177.584 -0.008 0.000 1.176 8 A CA -0.665 51.292 52.037 -0.133 0.000 0.757 8 A CB 0.868 19.815 19.000 -0.087 0.000 1.337 8 A HN 0.592 nan 8.150 nan 0.000 0.423 9 N N 0.007 118.608 118.700 -0.164 0.000 2.550 9 N HA 0.290 5.030 4.740 -0.001 0.000 0.186 9 N C 0.190 175.774 175.510 0.122 0.000 1.110 9 N CA 1.300 54.439 53.050 0.149 0.000 0.912 9 N CB -0.016 38.520 38.487 0.081 0.000 0.968 9 N HN 1.296 nan 8.380 nan 0.000 0.448 10 A N -0.585 122.217 122.820 -0.030 0.000 2.483 10 A HA 0.492 4.811 4.320 -0.001 0.000 0.294 10 A C -1.063 176.473 177.584 -0.079 0.000 1.077 10 A CA -0.868 51.128 52.037 -0.067 0.000 0.633 10 A CB -0.039 18.968 19.000 0.012 0.000 1.318 10 A HN 0.084 nan 8.150 nan 0.000 0.455 11 L N 0.823 121.992 121.223 -0.090 0.000 2.482 11 L HA 0.085 4.425 4.340 -0.001 0.000 0.273 11 L C 1.944 178.867 176.870 0.087 0.000 1.228 11 L CA -0.208 54.609 54.840 -0.038 0.000 0.827 11 L CB 0.179 42.195 42.059 -0.072 0.000 1.099 11 L HN 0.899 nan 8.230 nan 0.000 0.494 12 L N 1.508 122.847 121.223 0.193 0.000 2.051 12 L HA -0.271 4.069 4.340 -0.001 0.000 0.214 12 L C 2.232 179.085 176.870 -0.028 0.000 1.076 12 L CA 1.979 56.856 54.840 0.061 0.000 0.758 12 L CB -0.486 41.591 42.059 0.030 0.000 0.890 12 L HN 0.657 nan 8.230 nan 0.000 0.433 13 E N -0.271 119.906 120.200 -0.039 0.000 2.130 13 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 13 E C 1.837 178.405 176.600 -0.054 0.000 0.998 13 E CA 1.608 57.964 56.400 -0.073 0.000 0.806 13 E CB -0.335 29.315 29.700 -0.085 0.000 0.738 13 E HN 0.741 nan 8.360 nan 0.000 0.459 14 S N -0.874 114.805 115.700 -0.035 0.000 2.819 14 S HA 0.227 4.696 4.470 -0.001 0.000 0.249 14 S C 0.325 174.908 174.600 -0.027 0.000 1.030 14 S CA -0.608 57.574 58.200 -0.030 0.000 1.052 14 S CB 0.204 63.391 63.200 -0.021 0.000 1.017 14 S HN 0.067 nan 8.310 nan 0.000 0.576 15 V N 3.646 123.542 119.914 -0.030 0.000 2.673 15 V HA 0.337 4.456 4.120 -0.001 0.000 0.303 15 V C 1.185 177.244 176.094 -0.058 0.000 1.046 15 V CA 1.553 63.829 62.300 -0.040 0.000 1.126 15 V CB 1.167 32.964 31.823 -0.044 0.000 0.934 15 V HN 0.744 nan 8.190 nan 0.000 0.487 16 T N 2.409 116.923 114.554 -0.067 0.000 3.080 16 T HA 0.391 4.740 4.350 -0.001 0.000 0.280 16 T C 0.222 174.864 174.700 -0.097 0.000 0.926 16 T CA -0.269 61.791 62.100 -0.066 0.000 0.883 16 T CB 0.108 68.950 68.868 -0.045 0.000 1.194 16 T HN 0.571 nan 8.240 nan 0.000 0.541 17 K N 0.747 121.051 120.400 -0.161 0.000 2.501 17 K HA 0.543 4.862 4.320 -0.001 0.000 0.252 17 K C -2.094 174.279 176.600 -0.378 0.000 0.934 17 K CA -0.816 55.326 56.287 -0.241 0.000 0.797 17 K CB 2.622 34.976 32.500 -0.243 0.000 1.270 17 K HN 0.176 nan 8.250 nan 0.000 0.431 18 F N 3.687 123.293 119.950 -0.574 0.000 2.411 18 F HA 0.252 4.778 4.527 -0.001 0.000 0.355 18 F C 0.890 176.431 175.800 -0.432 0.000 1.117 18 F CA 0.046 57.651 58.000 -0.659 0.000 1.139 18 F CB 0.493 38.716 39.000 -1.294 0.000 1.120 18 F HN 0.639 nan 8.300 nan 0.000 0.493 19 H N 4.877 123.574 119.070 -0.622 0.000 2.361 19 H HA 0.182 4.737 4.556 -0.001 0.000 0.308 19 H C 0.500 175.375 175.328 -0.754 0.000 1.053 19 H CA 1.266 57.082 56.048 -0.386 0.000 1.377 19 H CB 0.109 29.858 29.762 -0.021 0.000 1.434 19 H HN 0.658 nan 8.280 nan 0.000 0.548 20 C N -1.846 116.878 119.300 -0.959 0.000 3.295 20 C HA 0.841 5.300 4.460 -0.001 0.000 0.341 20 C C 0.167 174.678 174.990 -0.797 0.000 1.418 20 C CA -0.396 58.142 59.018 -0.801 0.000 1.240 20 C CB 1.562 29.168 27.740 -0.224 0.000 1.562 20 C HN 0.576 nan 8.230 nan 0.000 0.457 21 G N -0.353 108.296 108.800 -0.253 0.000 2.704 21 G HA2 0.721 4.680 3.960 -0.001 0.000 0.293 21 G HA3 0.721 4.680 3.960 -0.001 0.000 0.293 21 G C -2.032 172.962 174.900 0.157 0.000 1.421 21 G CA -0.512 44.470 45.100 -0.196 0.000 0.870 21 G HN 1.392 nan 8.290 nan 0.000 0.492 22 V N 1.141 121.203 119.914 0.246 0.000 2.789 22 V HA 0.618 4.737 4.120 -0.001 0.000 0.311 22 V C -0.542 175.803 176.094 0.418 0.000 1.073 22 V CA -0.628 61.902 62.300 0.384 0.000 0.921 22 V CB 1.897 33.899 31.823 0.299 0.000 1.009 22 V HN 0.670 nan 8.190 nan 0.000 0.426 23 I N 4.112 124.951 120.570 0.448 0.000 2.478 23 I HA 0.386 4.555 4.170 -0.001 0.000 0.287 23 I C -1.534 174.685 176.117 0.170 0.000 1.042 23 I CA -0.691 60.788 61.300 0.297 0.000 1.067 23 I CB 1.951 40.119 38.000 0.280 0.000 1.233 23 I HN 0.676 nan 8.210 nan 0.000 0.431 24 Y N 6.196 126.441 120.300 -0.091 0.000 2.328 24 Y HA 0.400 4.949 4.550 -0.001 0.000 0.337 24 Y C -0.627 175.093 175.900 -0.300 0.000 1.008 24 Y CA -0.394 57.467 58.100 -0.400 0.000 1.129 24 Y CB 1.042 39.065 38.460 -0.728 0.000 1.185 24 Y HN 0.455 nan 8.280 nan 0.000 0.476 25 D N 4.959 124.788 120.400 -0.952 0.000 2.303 25 D HA 0.079 4.718 4.640 -0.001 0.000 0.236 25 D C 0.106 175.887 176.300 -0.866 0.000 1.068 25 D CA -0.149 53.474 54.000 -0.628 0.000 0.830 25 D CB 0.817 41.419 40.800 -0.330 0.000 1.109 25 D HN 0.733 nan 8.370 nan 0.000 0.496 26 Y N 1.647 121.680 120.300 -0.446 0.000 2.274 26 Y HA -0.229 4.320 4.550 -0.001 0.000 0.290 26 Y C 2.620 178.416 175.900 -0.174 0.000 1.145 26 Y CA 1.650 59.617 58.100 -0.221 0.000 1.203 26 Y CB 0.007 38.453 38.460 -0.022 0.000 0.984 26 Y HN 0.449 nan 8.280 nan 0.000 0.533 27 S N -1.768 113.921 115.700 -0.019 0.000 2.428 27 S HA -0.143 4.326 4.470 -0.001 0.000 0.230 27 S C 1.852 176.410 174.600 -0.070 0.000 1.014 27 S CA 1.380 59.564 58.200 -0.027 0.000 0.957 27 S CB -0.886 62.297 63.200 -0.028 0.000 0.784 27 S HN 0.544 nan 8.310 nan 0.000 0.499 28 T N -2.675 111.790 114.554 -0.149 0.000 3.015 28 T HA 0.618 4.967 4.350 -0.001 0.000 0.250 28 T C 1.177 175.774 174.700 -0.173 0.000 1.057 28 T CA 0.600 62.617 62.100 -0.138 0.000 1.066 28 T CB -0.238 68.545 68.868 -0.141 0.000 0.959 28 T HN 1.347 nan 8.240 nan 0.000 0.488 29 A N 0.915 123.534 122.820 -0.336 0.000 2.925 29 A HA -0.134 4.185 4.320 -0.001 0.000 0.265 29 A C 0.006 177.443 177.584 -0.245 0.000 1.419 29 A CA 1.040 52.884 52.037 -0.321 0.000 0.807 29 A CB -2.516 16.469 19.000 -0.024 0.000 1.043 29 A HN 0.786 nan 8.150 nan 0.000 0.600 30 E N -1.689 118.265 120.200 -0.410 0.000 2.336 30 E HA 0.675 5.024 4.350 -0.001 0.000 0.267 30 E C -1.015 175.466 176.600 -0.198 0.000 0.906 30 E CA -0.927 55.386 56.400 -0.146 0.000 0.781 30 E CB 1.115 30.782 29.700 -0.055 0.000 1.261 30 E HN 0.381 nan 8.360 nan 0.000 0.436 31 Y N 0.234 120.584 120.300 0.083 0.000 2.342 31 Y HA 0.413 4.963 4.550 -0.001 0.000 0.334 31 Y C -0.214 175.729 175.900 0.071 0.000 1.067 31 Y CA -0.759 57.417 58.100 0.125 0.000 1.128 31 Y CB 1.460 40.006 38.460 0.143 0.000 1.200 31 Y HN 0.162 nan 8.280 nan 0.000 0.464 32 V N 2.817 122.874 119.914 0.239 0.000 2.531 32 V HA 0.381 4.501 4.120 -0.001 0.000 0.301 32 V C -0.443 175.735 176.094 0.141 0.000 1.034 32 V CA -0.912 61.452 62.300 0.107 0.000 0.865 32 V CB 1.768 33.610 31.823 0.031 0.000 0.995 32 V HN 0.804 nan 8.190 nan 0.000 0.424 33 S N 3.693 119.401 115.700 0.014 0.000 2.585 33 S HA 0.722 5.191 4.470 -0.001 0.000 0.277 33 S C -1.174 173.375 174.600 -0.085 0.000 1.241 33 S CA -0.296 57.959 58.200 0.091 0.000 1.041 33 S CB 0.699 63.949 63.200 0.083 0.000 0.987 33 S HN 0.553 nan 8.310 nan 0.000 0.512 34 Y N 1.367 121.743 120.300 0.126 0.000 2.332 34 Y HA 0.424 4.973 4.550 -0.001 0.000 0.326 34 Y C 0.642 176.578 175.900 0.059 0.000 0.978 34 Y CA -0.787 57.401 58.100 0.146 0.000 1.205 34 Y CB 0.926 39.549 38.460 0.272 0.000 1.131 34 Y HN 0.478 nan 8.280 nan 0.000 0.462 35 R N 3.209 123.756 120.500 0.079 0.000 2.531 35 R HA 0.296 4.636 4.340 -0.001 0.000 0.260 35 R C -1.591 174.648 176.300 -0.101 0.000 1.144 35 R CA -1.730 54.234 56.100 -0.227 0.000 1.171 35 R CB 0.020 30.152 30.300 -0.279 0.000 1.199 35 R HN 0.293 nan 8.270 nan 0.000 0.594 36 P HA -0.286 nan 4.420 nan 0.000 0.219 36 P C 0.865 178.242 177.300 0.129 0.000 1.158 36 P CA 2.005 65.080 63.100 -0.042 0.000 0.895 36 P CB 0.050 31.692 31.700 -0.097 0.000 0.792 37 S N -2.676 113.072 115.700 0.081 0.000 2.603 37 S HA -0.004 4.465 4.470 -0.001 0.000 0.220 37 S C 1.052 175.736 174.600 0.139 0.000 0.967 37 S CA 0.450 58.714 58.200 0.107 0.000 0.920 37 S CB -0.676 62.566 63.200 0.069 0.000 0.773 37 S HN 0.108 nan 8.310 nan 0.000 0.529 38 D N 0.525 121.046 120.400 0.201 0.000 2.340 38 D HA 0.191 4.830 4.640 -0.001 0.000 0.217 38 D C 0.922 177.404 176.300 0.303 0.000 1.081 38 D CA -0.169 53.988 54.000 0.262 0.000 0.842 38 D CB -0.199 40.797 40.800 0.326 0.000 0.934 38 D HN 0.325 nan 8.370 nan 0.000 0.511 39 F N 2.609 122.545 119.950 -0.023 0.000 2.091 39 F HA -0.153 4.373 4.527 -0.001 0.000 0.299 39 F C 2.190 177.809 175.800 -0.301 0.000 1.103 39 F CA 1.723 59.466 58.000 -0.428 0.000 1.228 39 F CB -0.690 37.998 39.000 -0.522 0.000 0.984 39 F HN 0.021 nan 8.300 nan 0.000 0.477 40 G N -0.556 108.087 108.800 -0.262 0.000 2.418 40 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.217 40 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.217 40 G C 1.876 176.644 174.900 -0.219 0.000 1.158 40 G CA 1.103 45.993 45.100 -0.349 0.000 0.771 40 G HN 0.641 nan 8.290 nan 0.000 0.545 41 A N 0.014 122.819 122.820 -0.025 0.000 1.902 41 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 41 A C 2.209 179.821 177.584 0.048 0.000 1.181 41 A CA 1.785 53.879 52.037 0.095 0.000 0.623 41 A CB -0.753 18.404 19.000 0.262 0.000 0.818 41 A HN 0.482 nan 8.150 nan 0.000 0.443 42 Y N 0.762 120.946 120.300 -0.193 0.000 2.114 42 Y HA -0.235 4.314 4.550 -0.001 0.000 0.282 42 Y C 1.959 177.586 175.900 -0.454 0.000 1.165 42 Y CA 1.975 59.671 58.100 -0.673 0.000 1.148 42 Y CB -0.460 37.667 38.460 -0.554 0.000 0.972 42 Y HN 0.232 nan 8.280 nan 0.000 0.504 43 L N -0.239 120.627 121.223 -0.596 0.000 2.017 43 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 43 L C 2.223 178.909 176.870 -0.307 0.000 1.073 43 L CA 1.619 56.057 54.840 -0.671 0.000 0.745 43 L CB -0.740 40.801 42.059 -0.864 0.000 0.894 43 L HN 0.197 nan 8.230 nan 0.000 0.432 44 D N 0.365 120.630 120.400 -0.225 0.000 2.123 44 D HA -0.189 4.450 4.640 -0.001 0.000 0.196 44 D C 2.228 178.473 176.300 -0.092 0.000 0.992 44 D CA 1.587 55.525 54.000 -0.104 0.000 0.833 44 D CB -0.069 40.691 40.800 -0.065 0.000 0.954 44 D HN 0.347 nan 8.370 nan 0.000 0.455 45 A N 0.891 123.629 122.820 -0.138 0.000 1.902 45 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 45 A C 2.438 179.938 177.584 -0.140 0.000 1.181 45 A CA 0.964 52.935 52.037 -0.109 0.000 0.623 45 A CB -0.740 18.202 19.000 -0.098 0.000 0.818 45 A HN 0.204 nan 8.150 nan 0.000 0.443 46 L N -0.908 120.183 121.223 -0.221 0.000 2.056 46 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 46 L C 2.550 179.406 176.870 -0.023 0.000 1.078 46 L CA 1.647 56.419 54.840 -0.113 0.000 0.749 46 L CB -0.745 41.284 42.059 -0.050 0.000 0.901 46 L HN 0.469 nan 8.230 nan 0.000 0.433 47 E N 0.309 120.519 120.200 0.017 0.000 2.150 47 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 47 E C 2.296 178.878 176.600 -0.031 0.000 0.985 47 E CA 0.953 57.348 56.400 -0.009 0.000 0.814 47 E CB -0.090 29.622 29.700 0.020 0.000 0.752 47 E HN 0.483 nan 8.360 nan 0.000 0.466 48 A N 1.545 124.346 122.820 -0.032 0.000 1.877 48 A HA -0.255 4.064 4.320 -0.001 0.000 0.216 48 A C 2.097 179.665 177.584 -0.027 0.000 1.186 48 A CA 1.757 53.777 52.037 -0.027 0.000 0.620 48 A CB -0.425 18.561 19.000 -0.024 0.000 0.822 48 A HN 0.151 nan 8.150 nan 0.000 0.443 49 E N -0.010 120.169 120.200 -0.035 0.000 2.118 49 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 49 E C 1.756 178.341 176.600 -0.025 0.000 0.992 49 E CA 1.579 57.961 56.400 -0.031 0.000 0.804 49 E CB -0.422 29.253 29.700 -0.042 0.000 0.741 49 E HN 0.260 nan 8.360 nan 0.000 0.458 50 V N 0.683 120.573 119.914 -0.041 0.000 2.343 50 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 50 V C 2.356 178.433 176.094 -0.030 0.000 1.051 50 V CA 1.738 64.004 62.300 -0.057 0.000 1.036 50 V CB -0.942 30.825 31.823 -0.094 0.000 0.654 50 V HN 0.462 nan 8.190 nan 0.000 0.451 51 A N -0.045 122.761 122.820 -0.024 0.000 2.019 51 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 51 A C 2.284 179.873 177.584 0.008 0.000 1.164 51 A CA 1.578 53.609 52.037 -0.011 0.000 0.644 51 A CB -0.449 18.543 19.000 -0.015 0.000 0.805 51 A HN 0.556 nan 8.150 nan 0.000 0.449 52 R N -1.542 118.965 120.500 0.011 0.000 2.297 52 R HA 0.220 4.559 4.340 -0.001 0.000 0.197 52 R C 1.169 177.500 176.300 0.052 0.000 0.943 52 R CA 0.513 56.625 56.100 0.019 0.000 1.038 52 R CB -0.026 30.277 30.300 0.006 0.000 0.957 52 R HN 0.654 nan 8.270 nan 0.000 0.484 53 G N 0.387 109.245 108.800 0.096 0.000 2.160 53 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 53 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 53 G C 0.379 175.419 174.900 0.233 0.000 1.022 53 G CA -0.089 45.153 45.100 0.238 0.000 0.741 53 G HN 0.531 nan 8.290 nan 0.000 0.508 54 G N -1.168 107.696 108.800 0.106 0.000 2.504 54 G HA2 0.734 4.694 3.960 -0.001 0.000 0.257 54 G HA3 0.734 4.694 3.960 -0.001 0.000 0.257 54 G C -0.157 174.760 174.900 0.029 0.000 1.451 54 G CA -0.663 44.468 45.100 0.052 0.000 1.059 54 G HN 0.836 nan 8.290 nan 0.000 0.550 55 L N -0.828 120.374 121.223 -0.035 0.000 2.434 55 L HA 0.511 4.850 4.340 -0.001 0.000 0.260 55 L C -0.953 175.865 176.870 -0.086 0.000 0.983 55 L CA -0.526 54.257 54.840 -0.094 0.000 0.820 55 L CB 2.668 44.594 42.059 -0.222 0.000 1.361 55 L HN 0.300 nan 8.230 nan 0.000 0.410 56 I N 2.565 123.088 120.570 -0.079 0.000 2.410 56 I HA 0.397 4.567 4.170 -0.001 0.000 0.286 56 I C -0.722 175.327 176.117 -0.113 0.000 1.009 56 I CA -0.822 60.408 61.300 -0.117 0.000 1.111 56 I CB 2.026 39.970 38.000 -0.092 0.000 1.262 56 I HN 0.141 nan 8.210 nan 0.000 0.443 57 V N 6.837 126.657 119.914 -0.157 0.000 2.407 57 V HA 0.441 4.560 4.120 -0.001 0.000 0.278 57 V C -0.426 175.602 176.094 -0.110 0.000 1.037 57 V CA -0.284 61.990 62.300 -0.044 0.000 0.900 57 V CB 1.073 32.910 31.823 0.023 0.000 0.983 57 V HN 0.381 nan 8.190 nan 0.000 0.459 58 F N 2.022 122.104 119.950 0.220 0.000 2.593 58 F HA 0.520 5.047 4.527 -0.002 0.000 0.320 58 F C -0.051 175.896 175.800 0.245 0.000 1.060 58 F CA -0.939 57.205 58.000 0.240 0.000 0.940 58 F CB 1.750 40.904 39.000 0.256 0.000 1.268 58 F HN 0.525 nan 8.300 nan 0.000 0.475 59 H N 1.675 120.973 119.070 0.381 0.000 2.623 59 H HA 0.293 4.848 4.556 -0.001 0.000 0.299 59 H C 0.154 175.615 175.328 0.221 0.000 1.052 59 H CA -0.468 55.725 56.048 0.241 0.000 1.231 59 H CB 0.326 30.196 29.762 0.180 0.000 1.389 59 H HN 0.571 nan 8.280 nan 0.000 0.469 60 N N 2.334 120.958 118.700 -0.126 0.000 2.818 60 N HA -0.154 4.585 4.740 -0.001 0.000 0.250 60 N C 1.257 176.815 175.510 0.079 0.000 1.108 60 N CA 1.102 54.112 53.050 -0.066 0.000 0.745 60 N CB -1.189 37.232 38.487 -0.110 0.000 1.104 60 N HN 0.841 nan 8.380 nan 0.000 0.557 61 G N -1.273 107.627 108.800 0.166 0.000 2.448 61 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 61 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 61 G C 1.138 176.053 174.900 0.024 0.000 1.135 61 G CA 1.071 46.154 45.100 -0.028 0.000 0.784 61 G HN 0.583 nan 8.290 nan 0.000 0.543 62 H N 0.465 119.541 119.070 0.010 0.000 2.387 62 H HA 0.045 4.600 4.556 -0.001 0.000 0.299 62 H C 2.467 177.680 175.328 -0.191 0.000 1.099 62 H CA 1.460 57.478 56.048 -0.049 0.000 1.315 62 H CB 0.151 29.963 29.762 0.083 0.000 1.380 62 H HN 0.337 nan 8.280 nan 0.000 0.513 63 K N -1.768 118.643 120.400 0.018 0.000 2.242 63 K HA -0.007 4.313 4.320 -0.001 0.000 0.200 63 K C 1.219 177.809 176.600 -0.017 0.000 1.050 63 K CA 0.501 56.770 56.287 -0.031 0.000 0.981 63 K CB 0.398 32.910 32.500 0.021 0.000 0.795 63 K HN 0.199 nan 8.250 nan 0.000 0.477 64 Y N 1.504 121.720 120.300 -0.139 0.000 2.687 64 Y HA 0.008 4.557 4.550 -0.002 0.000 0.246 64 Y C 1.122 176.901 175.900 -0.201 0.000 1.061 64 Y CA 0.886 58.893 58.100 -0.156 0.000 1.400 64 Y CB -0.110 38.272 38.460 -0.130 0.000 1.325 64 Y HN -0.089 nan 8.280 nan 0.000 0.498 65 D N 0.301 120.490 120.400 -0.351 0.000 2.126 65 D HA -0.238 4.401 4.640 -0.001 0.000 0.190 65 D C 2.249 178.250 176.300 -0.498 0.000 1.001 65 D CA 2.517 56.193 54.000 -0.539 0.000 0.841 65 D CB -0.616 39.698 40.800 -0.809 0.000 0.949 65 D HN 0.243 nan 8.370 nan 0.000 0.446 66 V N 1.337 120.965 119.914 -0.478 0.000 2.237 66 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 66 V C -0.680 175.275 176.094 -0.231 0.000 1.046 66 V CA 1.998 64.138 62.300 -0.265 0.000 1.007 66 V CB -1.554 30.116 31.823 -0.256 0.000 0.638 66 V HN 0.269 nan 8.190 nan 0.000 0.445 67 P HA -0.078 nan 4.420 nan 0.000 0.221 67 P C 1.492 178.642 177.300 -0.251 0.000 1.150 67 P CA 1.886 64.817 63.100 -0.281 0.000 0.800 67 P CB 0.032 31.544 31.700 -0.313 0.000 0.787 68 A N 0.297 122.895 122.820 -0.369 0.000 1.898 68 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 68 A C 2.382 179.849 177.584 -0.194 0.000 1.181 68 A CA 1.065 52.866 52.037 -0.394 0.000 0.620 68 A CB -1.527 16.985 19.000 -0.813 0.000 0.819 68 A HN 0.110 nan 8.150 nan 0.000 0.442 69 L N -0.790 120.366 121.223 -0.111 0.000 2.083 69 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 69 L C 2.759 179.670 176.870 0.068 0.000 1.083 69 L CA 1.675 56.536 54.840 0.035 0.000 0.752 69 L CB -0.787 41.343 42.059 0.117 0.000 0.899 69 L HN 0.319 nan 8.230 nan 0.000 0.433 70 T N -0.601 113.999 114.554 0.077 0.000 2.746 70 T HA -0.241 4.108 4.350 -0.001 0.000 0.267 70 T C 1.934 176.606 174.700 -0.047 0.000 1.039 70 T CA 1.528 63.625 62.100 -0.005 0.000 1.142 70 T CB -0.056 68.740 68.868 -0.120 0.000 0.866 70 T HN 0.251 nan 8.240 nan 0.000 0.444 71 K N 0.639 121.005 120.400 -0.056 0.000 2.025 71 K HA 0.036 4.355 4.320 -0.001 0.000 0.207 71 K C 2.218 178.808 176.600 -0.017 0.000 1.049 71 K CA 1.035 57.292 56.287 -0.049 0.000 0.933 71 K CB -0.253 32.199 32.500 -0.081 0.000 0.714 71 K HN 0.267 nan 8.250 nan 0.000 0.438 72 L N 0.537 121.760 121.223 -0.000 0.000 2.201 72 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 72 L C 2.553 179.543 176.870 0.201 0.000 1.105 72 L CA 0.956 55.828 54.840 0.054 0.000 0.775 72 L CB -0.431 41.614 42.059 -0.023 0.000 0.913 72 L HN 0.295 nan 8.230 nan 0.000 0.440 73 A N 0.025 122.925 122.820 0.134 0.000 1.930 73 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 73 A C 2.313 179.888 177.584 -0.014 0.000 1.175 73 A CA 1.748 53.772 52.037 -0.023 0.000 0.627 73 A CB -0.265 18.627 19.000 -0.180 0.000 0.815 73 A HN 0.200 nan 8.150 nan 0.000 0.443 74 K N -0.005 120.395 120.400 -0.001 0.000 2.031 74 K HA 0.099 4.418 4.320 -0.001 0.000 0.205 74 K C 1.792 178.400 176.600 0.013 0.000 1.049 74 K CA 1.197 57.484 56.287 -0.000 0.000 0.939 74 K CB -0.517 31.983 32.500 0.000 0.000 0.717 74 K HN 0.426 nan 8.250 nan 0.000 0.438 75 L N 0.369 121.604 121.223 0.020 0.000 1.994 75 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 75 L C 2.596 179.486 176.870 0.034 0.000 1.071 75 L CA 1.637 56.488 54.840 0.019 0.000 0.745 75 L CB -0.383 41.679 42.059 0.006 0.000 0.892 75 L HN 0.326 nan 8.230 nan 0.000 0.431 76 Q N -0.642 119.202 119.800 0.073 0.000 2.123 76 Q HA -0.031 4.308 4.340 -0.001 0.000 0.196 76 Q C 1.827 177.874 176.000 0.079 0.000 0.958 76 Q CA 1.014 56.876 55.803 0.098 0.000 0.841 76 Q CB 0.258 29.102 28.738 0.178 0.000 0.915 76 Q HN 0.490 nan 8.270 nan 0.000 0.455 77 L N -0.258 120.994 121.223 0.049 0.000 2.858 77 L HA 0.215 4.554 4.340 -0.001 0.000 0.251 77 L C 0.054 176.906 176.870 -0.029 0.000 1.149 77 L CA -0.315 54.515 54.840 -0.017 0.000 0.955 77 L CB 0.290 42.281 42.059 -0.115 0.000 1.289 77 L HN 0.196 nan 8.230 nan 0.000 0.542 78 N N 1.888 120.581 118.700 -0.012 0.000 2.727 78 N HA -0.251 4.488 4.740 -0.001 0.000 0.249 78 N C 0.038 175.534 175.510 -0.022 0.000 1.048 78 N CA 0.531 53.575 53.050 -0.010 0.000 0.714 78 N CB -0.534 37.950 38.487 -0.005 0.000 0.959 78 N HN 0.401 nan 8.380 nan 0.000 0.544 79 R N 0.209 120.684 120.500 -0.043 0.000 2.732 79 R HA 0.322 4.661 4.340 -0.001 0.000 0.278 79 R C -0.835 175.453 176.300 -0.020 0.000 0.976 79 R CA -0.620 55.452 56.100 -0.047 0.000 0.963 79 R CB 0.785 31.019 30.300 -0.110 0.000 1.150 79 R HN 0.119 nan 8.270 nan 0.000 0.478 80 E N 3.529 123.738 120.200 0.015 0.000 2.081 80 E HA 0.149 4.498 4.350 -0.001 0.000 0.281 80 E C -1.385 175.226 176.600 0.018 0.000 0.986 80 E CA -0.150 56.277 56.400 0.045 0.000 0.796 80 E CB 0.874 30.656 29.700 0.138 0.000 1.085 80 E HN 0.334 nan 8.360 nan 0.000 0.398 81 F N 3.985 123.688 119.950 -0.413 0.000 2.507 81 F HA 0.299 4.825 4.527 -0.001 0.000 0.328 81 F C -0.696 174.701 175.800 -0.672 0.000 1.136 81 F CA -0.563 57.209 58.000 -0.379 0.000 0.930 81 F CB 0.970 39.795 39.000 -0.292 0.000 1.166 81 F HN 0.320 nan 8.300 nan 0.000 0.436 82 H N 7.897 126.643 119.070 -0.541 0.000 3.021 82 H HA 0.251 4.807 4.556 -0.001 0.000 0.293 82 H C -0.799 174.271 175.328 -0.429 0.000 1.244 82 H CA -0.547 55.284 56.048 -0.362 0.000 1.596 82 H CB 1.311 30.969 29.762 -0.174 0.000 1.720 82 H HN 0.510 nan 8.280 nan 0.000 0.537 83 L N 4.117 125.108 121.223 -0.387 0.000 2.455 83 L HA 0.145 4.484 4.340 -0.001 0.000 0.272 83 L C -1.855 174.998 176.870 -0.028 0.000 1.174 83 L CA -1.518 53.190 54.840 -0.220 0.000 0.869 83 L CB 0.145 42.172 42.059 -0.054 0.000 1.130 83 L HN 0.204 nan 8.230 nan 0.000 0.474 84 P HA 0.091 nan 4.420 nan 0.000 0.275 84 P C 0.267 177.255 177.300 -0.520 0.000 1.227 84 P CA -0.502 62.436 63.100 -0.270 0.000 0.781 84 P CB 0.652 32.175 31.700 -0.296 0.000 0.906 85 R N 3.828 123.707 120.500 -1.035 0.000 2.103 85 R HA -0.192 4.147 4.340 -0.001 0.000 0.242 85 R C 1.492 177.331 176.300 -0.769 0.000 1.142 85 R CA 1.847 56.892 56.100 -1.758 0.000 0.960 85 R CB -0.293 28.729 30.300 -2.131 0.000 0.858 85 R HN 0.590 nan 8.270 nan 0.000 0.439 86 E N -0.124 119.752 120.200 -0.540 0.000 2.409 86 E HA -0.162 4.187 4.350 -0.001 0.000 0.198 86 E C 0.396 176.980 176.600 -0.025 0.000 1.024 86 E CA 1.256 57.514 56.400 -0.238 0.000 0.861 86 E CB -0.363 29.163 29.700 -0.289 0.000 0.788 86 E HN 0.487 nan 8.360 nan 0.000 0.521 87 N N -0.326 118.249 118.700 -0.209 0.000 2.280 87 N HA 0.095 4.834 4.740 -0.001 0.000 0.192 87 N C -0.639 174.881 175.510 0.018 0.000 1.109 87 N CA -0.001 52.975 53.050 -0.124 0.000 0.855 87 N CB 0.554 38.923 38.487 -0.195 0.000 0.974 87 N HN 0.098 nan 8.380 nan 0.000 0.482 88 C N 0.866 120.241 119.300 0.126 0.000 2.376 88 C HA 0.575 5.034 4.460 -0.001 0.000 0.335 88 C C 0.207 175.463 174.990 0.443 0.000 1.229 88 C CA -1.174 58.031 59.018 0.312 0.000 1.867 88 C CB 0.226 28.252 27.740 0.477 0.000 2.319 88 C HN 0.236 nan 8.230 nan 0.000 0.515 89 I N 2.166 122.930 120.570 0.323 0.000 2.646 89 I HA 0.398 4.567 4.170 -0.001 0.000 0.299 89 I C -0.793 175.594 176.117 0.450 0.000 1.036 89 I CA 0.022 61.476 61.300 0.257 0.000 1.074 89 I CB 1.807 39.718 38.000 -0.149 0.000 1.258 89 I HN 0.586 nan 8.210 nan 0.000 0.430 90 D N 3.225 123.943 120.400 0.531 0.000 2.542 90 D HA 0.154 4.793 4.640 -0.001 0.000 0.252 90 D C 0.891 177.304 176.300 0.188 0.000 1.222 90 D CA -0.291 53.844 54.000 0.226 0.000 0.895 90 D CB 1.816 42.513 40.800 -0.172 0.000 1.207 90 D HN 0.694 nan 8.370 nan 0.000 0.558 91 T N 1.356 116.054 114.554 0.241 0.000 2.881 91 T HA -0.188 4.161 4.350 -0.001 0.000 0.270 91 T C 1.887 176.722 174.700 0.225 0.000 1.068 91 T CA 0.497 62.764 62.100 0.278 0.000 1.131 91 T CB 0.040 69.140 68.868 0.387 0.000 0.871 91 T HN 0.312 nan 8.240 nan 0.000 0.479 92 L N 1.331 122.547 121.223 -0.011 0.000 2.027 92 L HA 0.119 4.458 4.340 -0.001 0.000 0.206 92 L C 2.592 179.436 176.870 -0.043 0.000 1.074 92 L CA 1.264 56.031 54.840 -0.122 0.000 0.745 92 L CB -0.833 40.966 42.059 -0.434 0.000 0.898 92 L HN 0.147 nan 8.230 nan 0.000 0.433 93 V N -0.360 119.483 119.914 -0.118 0.000 2.343 93 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 93 V C 2.625 178.661 176.094 -0.096 0.000 1.051 93 V CA 2.013 64.208 62.300 -0.175 0.000 1.036 93 V CB -0.540 31.010 31.823 -0.455 0.000 0.654 93 V HN 0.445 nan 8.190 nan 0.000 0.451 94 L N 0.533 121.749 121.223 -0.013 0.000 2.046 94 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 94 L C 2.737 179.613 176.870 0.011 0.000 1.077 94 L CA 2.083 56.967 54.840 0.074 0.000 0.747 94 L CB -0.423 41.760 42.059 0.206 0.000 0.896 94 L HN 0.618 nan 8.230 nan 0.000 0.432 95 S N -0.777 114.969 115.700 0.077 0.000 2.423 95 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 95 S C 1.952 176.593 174.600 0.069 0.000 1.014 95 S CA 0.552 58.821 58.200 0.115 0.000 0.965 95 S CB -0.340 63.024 63.200 0.273 0.000 0.785 95 S HN 0.387 nan 8.310 nan 0.000 0.495 96 R N -0.029 120.498 120.500 0.044 0.000 2.235 96 R HA 0.179 4.518 4.340 -0.001 0.000 0.213 96 R C 2.115 178.411 176.300 -0.007 0.000 1.059 96 R CA 0.952 57.072 56.100 0.033 0.000 0.997 96 R CB -0.335 29.979 30.300 0.024 0.000 0.884 96 R HN 0.445 nan 8.270 nan 0.000 0.462 97 L N 0.195 121.381 121.223 -0.061 0.000 2.130 97 L HA 0.012 4.351 4.340 -0.001 0.000 0.200 97 L C 1.765 178.488 176.870 -0.245 0.000 1.075 97 L CA 1.427 56.204 54.840 -0.104 0.000 0.768 97 L CB -0.181 41.812 42.059 -0.109 0.000 0.933 97 L HN -0.065 nan 8.230 nan 0.000 0.451 98 I N 0.244 120.565 120.570 -0.416 0.000 2.142 98 I HA -0.206 3.963 4.170 -0.001 0.000 0.240 98 I C 1.210 177.045 176.117 -0.471 0.000 1.078 98 I CA 1.284 62.212 61.300 -0.621 0.000 1.343 98 I CB -1.664 35.881 38.000 -0.759 0.000 1.046 98 I HN 0.342 nan 8.210 nan 0.000 0.405 99 H N 0.979 120.009 119.070 -0.066 0.000 2.540 99 H HA 0.262 4.817 4.556 -0.001 0.000 0.264 99 H C 1.681 176.987 175.328 -0.036 0.000 1.427 99 H CA 0.223 56.243 56.048 -0.046 0.000 1.103 99 H CB -0.018 29.733 29.762 -0.018 0.000 1.572 99 H HN 0.263 nan 8.280 nan 0.000 0.511 100 S N 0.472 116.185 115.700 0.022 0.000 2.500 100 S HA -0.170 4.299 4.470 -0.001 0.000 0.239 100 S C 1.566 176.184 174.600 0.030 0.000 0.989 100 S CA 0.748 58.968 58.200 0.032 0.000 0.951 100 S CB -0.087 63.133 63.200 0.034 0.000 0.759 100 S HN 0.562 nan 8.310 nan 0.000 0.523 101 N N 1.392 120.087 118.700 -0.009 0.000 2.467 101 N HA 0.092 4.831 4.740 -0.001 0.000 0.184 101 N C 0.355 175.834 175.510 -0.050 0.000 1.106 101 N CA 0.105 53.108 53.050 -0.077 0.000 0.892 101 N CB -0.220 38.056 38.487 -0.353 0.000 0.969 101 N HN 0.431 nan 8.380 nan 0.000 0.454 102 L N 0.226 121.448 121.223 -0.002 0.000 2.334 102 L HA 0.426 4.765 4.340 -0.001 0.000 0.270 102 L C 0.541 177.430 176.870 0.032 0.000 1.018 102 L CA -0.970 53.873 54.840 0.005 0.000 0.811 102 L CB 1.288 43.347 42.059 0.000 0.000 1.271 102 L HN -0.178 nan 8.230 nan 0.000 0.443 103 K N 0.983 121.402 120.400 0.031 0.000 2.177 103 K HA 0.494 4.813 4.320 -0.001 0.000 0.238 103 K C -1.136 175.504 176.600 0.067 0.000 1.015 103 K CA -0.507 55.809 56.287 0.047 0.000 0.922 103 K CB 1.627 34.153 32.500 0.043 0.000 1.127 103 K HN 0.757 nan 8.250 nan 0.000 0.469 104 D N -3.217 117.232 120.400 0.081 0.000 2.599 104 D HA 0.071 4.710 4.640 -0.001 0.000 0.252 104 D C 0.105 176.469 176.300 0.107 0.000 1.232 104 D CA -0.692 53.373 54.000 0.107 0.000 0.819 104 D CB 0.633 41.502 40.800 0.115 0.000 1.401 104 D HN 0.370 nan 8.370 nan 0.000 0.429 105 T N -2.765 111.860 114.554 0.118 0.000 3.252 105 T HA 0.115 4.464 4.350 -0.001 0.000 0.250 105 T C 0.405 175.167 174.700 0.103 0.000 1.123 105 T CA 0.391 62.555 62.100 0.107 0.000 1.006 105 T CB -0.748 68.173 68.868 0.088 0.000 0.992 105 T HN 0.630 nan 8.240 nan 0.000 0.547 106 D N 1.375 121.836 120.400 0.103 0.000 2.697 106 D HA -0.223 4.416 4.640 -0.001 0.000 0.235 106 D C 0.210 176.557 176.300 0.079 0.000 1.167 106 D CA 0.439 54.501 54.000 0.103 0.000 0.656 106 D CB -1.571 39.323 40.800 0.157 0.000 1.025 106 D HN 0.414 nan 8.370 nan 0.000 0.419 107 M N -1.090 118.547 119.600 0.062 0.000 2.360 107 M HA -0.160 4.319 4.480 -0.001 0.000 0.202 107 M C 1.412 177.710 176.300 -0.004 0.000 0.390 107 M CA 1.584 56.901 55.300 0.029 0.000 0.470 107 M CB -2.287 30.311 32.600 -0.003 0.000 1.637 107 M HN 1.162 nan 8.290 nan 0.000 0.885 108 G N -0.764 108.040 108.800 0.006 0.000 2.162 108 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 108 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 108 G C 0.738 175.636 174.900 -0.002 0.000 0.976 108 G CA 0.492 45.586 45.100 -0.009 0.000 0.655 108 G HN 0.566 nan 8.290 nan 0.000 0.533 109 L N -0.821 120.414 121.223 0.019 0.000 2.395 109 L HA 0.329 4.669 4.340 -0.001 0.000 0.218 109 L C 1.367 178.265 176.870 0.047 0.000 1.130 109 L CA 0.596 55.428 54.840 -0.013 0.000 0.826 109 L CB -0.065 41.997 42.059 0.006 0.000 0.941 109 L HN 0.241 nan 8.230 nan 0.000 0.451 110 L N -0.242 121.045 121.223 0.106 0.000 2.334 110 L HA 0.387 4.726 4.340 -0.001 0.000 0.273 110 L C -0.333 176.591 176.870 0.090 0.000 1.013 110 L CA -1.091 53.826 54.840 0.129 0.000 0.816 110 L CB 1.612 43.767 42.059 0.161 0.000 1.278 110 L HN -0.055 nan 8.230 nan 0.000 0.431 111 R N 0.629 121.179 120.500 0.084 0.000 2.351 111 R HA 0.078 4.417 4.340 -0.001 0.000 0.318 111 R C 1.200 177.554 176.300 0.090 0.000 1.055 111 R CA -0.008 56.137 56.100 0.074 0.000 0.968 111 R CB 0.114 30.451 30.300 0.061 0.000 0.974 111 R HN 0.722 nan 8.270 nan 0.000 0.439 112 S N 1.939 117.709 115.700 0.115 0.000 2.370 112 S HA -0.160 4.309 4.470 -0.001 0.000 0.226 112 S C 1.957 176.613 174.600 0.094 0.000 1.033 112 S CA 0.969 59.257 58.200 0.147 0.000 1.011 112 S CB -0.571 62.800 63.200 0.285 0.000 0.852 112 S HN 0.725 nan 8.310 nan 0.000 0.457 113 G N 1.224 110.069 108.800 0.076 0.000 2.586 113 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.215 113 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.215 113 G C 1.328 176.252 174.900 0.039 0.000 1.128 113 G CA 0.724 45.851 45.100 0.045 0.000 0.774 113 G HN 0.617 nan 8.290 nan 0.000 0.543 114 K N -0.434 119.996 120.400 0.050 0.000 2.334 114 K HA 0.236 4.556 4.320 -0.001 0.000 0.195 114 K C 0.638 177.264 176.600 0.045 0.000 1.045 114 K CA -0.306 56.009 56.287 0.046 0.000 1.004 114 K CB -0.039 32.494 32.500 0.054 0.000 0.837 114 K HN 0.220 nan 8.250 nan 0.000 0.510 115 L N 3.867 125.120 121.223 0.051 0.000 2.426 115 L HA 0.225 4.564 4.340 -0.001 0.000 0.271 115 L C -1.876 175.013 176.870 0.031 0.000 1.169 115 L CA -1.856 53.012 54.840 0.046 0.000 0.836 115 L CB 0.229 42.323 42.059 0.059 0.000 1.112 115 L HN 0.155 nan 8.230 nan 0.000 0.465 116 P HA 0.414 nan 4.420 nan 0.000 0.281 116 P C -0.010 177.297 177.300 0.011 0.000 1.264 116 P CA 0.050 63.161 63.100 0.018 0.000 0.824 116 P CB 1.536 33.249 31.700 0.023 0.000 1.092 125 L N 0.788 121.965 121.223 -0.077 0.000 2.381 125 L HA 0.534 4.873 4.340 -0.001 0.000 0.268 125 L C 0.187 177.017 176.870 -0.067 0.000 0.997 125 L CA -0.836 53.984 54.840 -0.034 0.000 0.818 125 L CB 1.889 43.967 42.059 0.031 0.000 1.310 125 L HN 0.847 nan 8.230 nan 0.000 0.416 126 E N 1.525 121.693 120.200 -0.054 0.000 2.417 126 E HA 0.057 4.406 4.350 -0.001 0.000 0.261 126 E C 0.612 177.200 176.600 -0.021 0.000 1.000 126 E CA 0.387 56.727 56.400 -0.101 0.000 0.919 126 E CB 1.744 31.379 29.700 -0.109 0.000 0.955 126 E HN 0.741 nan 8.360 nan 0.000 0.455 127 A N 5.601 128.339 122.820 -0.136 0.000 1.859 127 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 127 A C 1.921 179.489 177.584 -0.028 0.000 1.198 127 A CA 1.702 53.635 52.037 -0.173 0.000 0.629 127 A CB -0.993 17.731 19.000 -0.459 0.000 0.830 127 A HN 0.902 nan 8.150 nan 0.000 0.446 128 W N -0.642 120.684 121.300 0.044 0.000 2.335 128 W HA -0.065 4.594 4.660 -0.002 0.000 0.311 128 W C 2.573 179.087 176.519 -0.008 0.000 1.213 128 W CA 0.567 57.923 57.345 0.019 0.000 1.274 128 W CB -0.514 28.948 29.460 0.003 0.000 1.148 128 W HN 0.439 nan 8.180 nan 0.000 0.498 129 G N -0.937 108.017 108.800 0.255 0.000 2.422 129 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.218 129 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.218 129 G C 1.095 176.084 174.900 0.149 0.000 1.140 129 G CA 0.982 46.178 45.100 0.159 0.000 0.775 129 G HN 0.341 nan 8.290 nan 0.000 0.545 130 Y N 1.735 122.079 120.300 0.072 0.000 2.163 130 Y HA -0.066 4.483 4.550 -0.001 0.000 0.288 130 Y C 2.929 178.870 175.900 0.068 0.000 1.136 130 Y CA 1.563 59.694 58.100 0.053 0.000 1.147 130 Y CB -0.071 38.394 38.460 0.008 0.000 0.987 130 Y HN -0.011 nan 8.280 nan 0.000 0.509 131 R N 0.435 120.981 120.500 0.077 0.000 2.094 131 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 131 R C 2.354 178.640 176.300 -0.023 0.000 1.137 131 R CA 1.951 58.080 56.100 0.047 0.000 0.943 131 R CB -1.344 29.084 30.300 0.213 0.000 0.850 131 R HN 0.437 nan 8.270 nan 0.000 0.433 132 L N -0.236 120.990 121.223 0.004 0.000 2.013 132 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 132 L C 2.579 179.450 176.870 0.001 0.000 1.073 132 L CA 1.705 56.536 54.840 -0.014 0.000 0.753 132 L CB -1.013 40.938 42.059 -0.179 0.000 0.890 132 L HN 0.360 nan 8.230 nan 0.000 0.432 133 G N -1.012 107.773 108.800 -0.025 0.000 2.471 133 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 133 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 133 G C 1.413 176.239 174.900 -0.124 0.000 1.125 133 G CA 0.303 45.380 45.100 -0.039 0.000 0.775 133 G HN 0.285 nan 8.290 nan 0.000 0.548 134 E N -0.027 120.037 120.200 -0.226 0.000 2.472 134 E HA 0.138 4.487 4.350 -0.001 0.000 0.196 134 E C 2.414 178.961 176.600 -0.088 0.000 1.033 134 E CA -0.238 56.032 56.400 -0.218 0.000 0.886 134 E CB -0.042 29.409 29.700 -0.416 0.000 0.944 134 E HN 0.268 nan 8.360 nan 0.000 0.492 135 M N 0.869 120.445 119.600 -0.040 0.000 2.089 135 M HA -0.214 4.265 4.480 -0.001 0.000 0.257 135 M C 1.908 178.167 176.300 -0.067 0.000 1.071 135 M CA 1.669 56.964 55.300 -0.008 0.000 1.096 135 M CB -0.899 31.733 32.600 0.053 0.000 1.330 135 M HN 0.032 nan 8.290 nan 0.000 0.403 136 K N -0.559 119.860 120.400 0.030 0.000 2.097 136 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 136 K C 2.122 178.790 176.600 0.113 0.000 1.049 136 K CA 1.372 57.782 56.287 0.205 0.000 0.933 136 K CB -0.551 32.077 32.500 0.212 0.000 0.717 136 K HN 0.513 nan 8.250 nan 0.000 0.442 137 G N 1.320 110.132 108.800 0.021 0.000 2.421 137 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 137 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 137 G C 1.135 176.002 174.900 -0.055 0.000 1.143 137 G CA 0.499 45.590 45.100 -0.017 0.000 0.784 137 G HN 0.315 nan 8.290 nan 0.000 0.541 138 E N -0.559 119.610 120.200 -0.051 0.000 2.046 138 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 138 E C 2.094 178.641 176.600 -0.089 0.000 0.982 138 E CA 0.881 57.270 56.400 -0.019 0.000 0.800 138 E CB -0.296 29.456 29.700 0.086 0.000 0.756 138 E HN 0.488 nan 8.360 nan 0.000 0.449 139 Y N 2.516 122.526 120.300 -0.484 0.000 2.128 139 Y HA -0.266 4.283 4.550 -0.001 0.000 0.284 139 Y C 2.246 177.943 175.900 -0.338 0.000 1.154 139 Y CA 1.877 59.590 58.100 -0.644 0.000 1.149 139 Y CB -0.145 37.753 38.460 -0.937 0.000 0.976 139 Y HN -0.184 nan 8.280 nan 0.000 0.505 140 K N -0.036 120.081 120.400 -0.472 0.000 2.103 140 K HA -0.221 4.098 4.320 -0.001 0.000 0.207 140 K C 1.633 177.998 176.600 -0.391 0.000 1.048 140 K CA 2.036 58.021 56.287 -0.503 0.000 0.930 140 K CB -0.292 32.053 32.500 -0.258 0.000 0.716 140 K HN 0.385 nan 8.250 nan 0.000 0.444 141 D N 0.971 121.215 120.400 -0.260 0.000 2.097 141 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 141 D C 1.497 177.687 176.300 -0.183 0.000 0.984 141 D CA 1.331 55.207 54.000 -0.206 0.000 0.826 141 D CB -0.348 40.382 40.800 -0.116 0.000 0.973 141 D HN 0.300 nan 8.370 nan 0.000 0.460 142 D N -0.040 120.283 120.400 -0.130 0.000 2.123 142 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 142 D C 1.727 177.933 176.300 -0.158 0.000 0.992 142 D CA 0.480 54.432 54.000 -0.080 0.000 0.833 142 D CB -0.369 40.471 40.800 0.066 0.000 0.954 142 D HN 0.127 nan 8.370 nan 0.000 0.455 143 F N 1.439 121.126 119.950 -0.438 0.000 2.075 143 F HA -0.142 4.384 4.527 -0.001 0.000 0.297 143 F C 2.046 177.631 175.800 -0.359 0.000 1.113 143 F CA 1.478 59.199 58.000 -0.465 0.000 1.218 143 F CB 0.016 38.583 39.000 -0.722 0.000 0.984 143 F HN -0.203 nan 8.300 nan 0.000 0.472 144 K N -0.301 119.933 120.400 -0.277 0.000 2.063 144 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 144 K C 2.324 178.762 176.600 -0.270 0.000 1.048 144 K CA 1.567 57.627 56.287 -0.378 0.000 0.928 144 K CB -0.318 31.827 32.500 -0.592 0.000 0.713 144 K HN 0.196 nan 8.250 nan 0.000 0.442 145 R N 1.011 121.372 120.500 -0.231 0.000 2.082 145 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 145 R C 2.305 178.497 176.300 -0.180 0.000 1.136 145 R CA 1.988 57.985 56.100 -0.172 0.000 0.935 145 R CB -0.206 30.013 30.300 -0.135 0.000 0.842 145 R HN 0.166 nan 8.270 nan 0.000 0.430 146 M N 0.548 120.016 119.600 -0.219 0.000 2.202 146 M HA -0.210 4.269 4.480 -0.001 0.000 0.262 146 M C 2.256 178.403 176.300 -0.254 0.000 1.063 146 M CA 1.448 56.608 55.300 -0.232 0.000 1.097 146 M CB -0.227 32.206 32.600 -0.279 0.000 1.382 146 M HN 0.262 nan 8.290 nan 0.000 0.413 147 L N -0.318 120.723 121.223 -0.303 0.000 2.023 147 L HA -0.174 4.165 4.340 -0.001 0.000 0.205 147 L C 2.208 178.991 176.870 -0.145 0.000 1.073 147 L CA 1.372 56.065 54.840 -0.244 0.000 0.745 147 L CB -0.536 41.390 42.059 -0.221 0.000 0.900 147 L HN 0.241 nan 8.230 nan 0.000 0.435 148 E N 0.163 120.286 120.200 -0.127 0.000 2.209 148 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 148 E C 1.909 178.460 176.600 -0.083 0.000 0.993 148 E CA 1.003 57.350 56.400 -0.088 0.000 0.819 148 E CB 0.034 29.683 29.700 -0.085 0.000 0.745 148 E HN 0.465 nan 8.360 nan 0.000 0.477 149 E N -0.067 120.073 120.200 -0.099 0.000 2.358 149 E HA -0.094 4.255 4.350 -0.001 0.000 0.195 149 E C 1.117 177.670 176.600 -0.079 0.000 1.010 149 E CA 0.484 56.834 56.400 -0.085 0.000 0.856 149 E CB 0.226 29.871 29.700 -0.092 0.000 0.795 149 E HN 0.174 nan 8.360 nan 0.000 0.504 150 Q N -0.808 118.939 119.800 -0.090 0.000 2.194 150 Q HA 0.148 4.487 4.340 -0.001 0.000 0.214 150 Q C 0.962 176.925 176.000 -0.062 0.000 0.838 150 Q CA 0.448 56.204 55.803 -0.078 0.000 0.972 150 Q CB 1.621 30.300 28.738 -0.097 0.000 1.131 150 Q HN 0.374 nan 8.270 nan 0.000 0.498 151 G N 1.353 110.119 108.800 -0.057 0.000 2.179 151 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.260 151 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.260 151 G C -0.034 174.846 174.900 -0.034 0.000 0.977 151 G CA 0.414 45.490 45.100 -0.040 0.000 0.641 151 G HN 0.360 nan 8.290 nan 0.000 0.533 152 E N 0.921 121.094 120.200 -0.044 0.000 2.349 152 E HA 0.573 4.922 4.350 -0.001 0.000 0.265 152 E C 0.378 176.973 176.600 -0.009 0.000 1.064 152 E CA -0.300 56.083 56.400 -0.029 0.000 0.886 152 E CB 0.843 30.517 29.700 -0.043 0.000 1.036 152 E HN 0.539 nan 8.360 nan 0.000 0.413 153 E N 0.842 121.048 120.200 0.011 0.000 2.313 153 E HA 0.133 4.482 4.350 -0.001 0.000 0.272 153 E C -1.085 175.555 176.600 0.067 0.000 1.038 153 E CA -0.563 55.858 56.400 0.035 0.000 0.863 153 E CB 0.756 30.471 29.700 0.024 0.000 1.060 153 E HN 0.401 nan 8.360 nan 0.000 0.402 154 Y N 2.178 122.454 120.300 -0.041 0.000 2.320 154 Y HA 0.343 4.892 4.550 -0.001 0.000 0.334 154 Y C -0.901 174.974 175.900 -0.042 0.000 1.055 154 Y CA -0.588 57.483 58.100 -0.049 0.000 1.143 154 Y CB 0.700 39.124 38.460 -0.060 0.000 1.193 154 Y HN 0.190 nan 8.280 nan 0.000 0.477 155 V N 6.263 125.669 119.914 -0.847 0.000 2.667 155 V HA 0.210 4.330 4.120 -0.001 0.000 0.308 155 V C 0.455 175.975 176.094 -0.958 0.000 1.048 155 V CA -0.816 61.107 62.300 -0.629 0.000 0.928 155 V CB 1.625 33.306 31.823 -0.238 0.000 1.004 155 V HN 1.020 nan 8.190 nan 0.000 0.444 156 D N 3.399 123.544 120.400 -0.426 0.000 2.210 156 D HA -0.277 4.362 4.640 -0.001 0.000 0.613 156 D C 1.033 177.141 176.300 -0.320 0.000 0.583 156 D CA 2.551 56.410 54.000 -0.235 0.000 1.621 156 D CB -0.455 40.329 40.800 -0.025 0.000 0.176 156 D HN 0.937 nan 8.370 nan 0.000 0.189 157 G N -0.018 108.585 108.800 -0.329 0.000 4.566 157 G HA2 0.425 4.384 3.960 -0.001 0.000 0.276 157 G HA3 0.425 4.384 3.960 -0.001 0.000 0.276 157 G C 1.082 175.536 174.900 -0.744 0.000 1.248 157 G CA 0.346 45.279 45.100 -0.277 0.000 0.858 157 G HN 0.352 nan 8.290 nan 0.000 0.549 158 M N -0.103 118.712 119.600 -1.309 0.000 2.460 158 M HA 0.016 4.495 4.480 -0.001 0.000 0.263 158 M C 1.936 177.423 176.300 -1.355 0.000 1.071 158 M CA 1.310 55.315 55.300 -2.158 0.000 1.096 158 M CB -0.283 31.265 32.600 -1.753 0.000 1.408 158 M HN 0.285 nan 8.290 nan 0.000 0.463 159 E N 0.822 120.210 120.200 -1.353 0.000 2.267 159 E HA -0.214 4.136 4.350 -0.001 0.000 0.197 159 E C 0.840 176.772 176.600 -1.113 0.000 0.998 159 E CA 1.415 56.643 56.400 -1.953 0.000 0.830 159 E CB -0.794 27.703 29.700 -2.004 0.000 0.751 159 E HN 0.869 nan 8.360 nan 0.000 0.491 160 W N -0.830 120.238 121.300 -0.387 0.000 3.220 160 W HA 0.213 4.872 4.660 -0.001 0.000 0.328 160 W C 1.310 177.955 176.519 0.210 0.000 1.205 160 W CA -1.032 56.287 57.345 -0.043 0.000 1.773 160 W CB 0.051 29.530 29.460 0.032 0.000 1.086 160 W HN -0.032 nan 8.180 nan 0.000 0.622 161 W N 0.796 122.170 121.300 0.124 0.000 2.388 161 W HA 0.005 4.664 4.660 -0.001 0.000 0.294 161 W C 0.450 177.077 176.519 0.179 0.000 1.212 161 W CA 0.723 58.160 57.345 0.152 0.000 1.271 161 W CB -1.121 28.377 29.460 0.064 0.000 1.126 161 W HN -0.266 nan 8.180 nan 0.000 0.535 162 N N -0.791 118.037 118.700 0.215 0.000 2.229 162 N HA 0.123 4.862 4.740 -0.001 0.000 0.298 162 N C -1.170 174.182 175.510 -0.264 0.000 1.114 162 N CA -0.740 52.362 53.050 0.088 0.000 0.776 162 N CB 2.123 40.707 38.487 0.161 0.000 1.501 162 N HN -0.259 nan 8.380 nan 0.000 0.474 163 F N 2.253 121.990 119.950 -0.354 0.000 2.496 163 F HA 0.271 4.797 4.527 -0.001 0.000 0.344 163 F C 0.102 175.841 175.800 -0.100 0.000 1.155 163 F CA 0.008 57.816 58.000 -0.320 0.000 1.302 163 F CB 0.351 39.316 39.000 -0.058 0.000 1.159 163 F HN 0.694 nan 8.300 nan 0.000 0.595 164 N N 1.194 119.034 118.700 -1.433 0.000 3.127 164 N HA 0.163 4.902 4.740 -0.001 0.000 0.239 164 N C -0.567 174.342 175.510 -1.002 0.000 1.407 164 N CA -0.678 51.755 53.050 -1.029 0.000 0.891 164 N CB 0.699 38.991 38.487 -0.324 0.000 1.447 164 N HN 0.403 nan 8.380 nan 0.000 0.507 165 E N -0.408 119.475 120.200 -0.528 0.000 2.338 165 E HA -0.132 4.217 4.350 -0.001 0.000 0.197 165 E C 1.549 178.085 176.600 -0.108 0.000 1.007 165 E CA 1.633 57.891 56.400 -0.236 0.000 0.849 165 E CB -0.413 29.225 29.700 -0.104 0.000 0.774 165 E HN 0.829 nan 8.360 nan 0.000 0.506 166 E N 1.013 121.178 120.200 -0.058 0.000 2.107 166 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 166 E C 1.785 178.473 176.600 0.146 0.000 0.982 166 E CA 1.107 57.565 56.400 0.096 0.000 0.809 166 E CB -0.458 29.384 29.700 0.236 0.000 0.756 166 E HN 0.243 nan 8.360 nan 0.000 0.459 167 M N -1.014 118.569 119.600 -0.027 0.000 2.086 167 M HA -0.084 4.396 4.480 -0.001 0.000 0.261 167 M C 2.529 178.825 176.300 -0.007 0.000 1.067 167 M CA 2.319 57.481 55.300 -0.231 0.000 1.116 167 M CB -0.090 32.310 32.600 -0.333 0.000 1.348 167 M HN 0.438 nan 8.290 nan 0.000 0.407 168 M N 0.875 120.505 119.600 0.050 0.000 2.149 168 M HA -0.229 4.250 4.480 -0.001 0.000 0.261 168 M C 1.214 177.562 176.300 0.079 0.000 1.064 168 M CA 1.944 57.340 55.300 0.160 0.000 1.102 168 M CB -0.484 32.268 32.600 0.253 0.000 1.369 168 M HN 0.247 nan 8.290 nan 0.000 0.408 169 D N -1.293 119.117 120.400 0.018 0.000 2.144 169 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 169 D C 1.806 178.055 176.300 -0.086 0.000 0.978 169 D CA 1.390 55.352 54.000 -0.063 0.000 0.833 169 D CB -0.391 40.325 40.800 -0.140 0.000 0.961 169 D HN 0.440 nan 8.370 nan 0.000 0.470 170 Y N 1.227 121.509 120.300 -0.030 0.000 2.314 170 Y HA -0.078 4.471 4.550 -0.001 0.000 0.293 170 Y C 2.207 178.106 175.900 -0.002 0.000 1.129 170 Y CA 0.865 58.951 58.100 -0.023 0.000 1.201 170 Y CB -0.422 37.995 38.460 -0.073 0.000 0.999 170 Y HN 0.014 nan 8.280 nan 0.000 0.541 171 N N -0.352 118.442 118.700 0.155 0.000 2.084 171 N HA -0.176 4.563 4.740 -0.001 0.000 0.190 171 N C 1.748 177.327 175.510 0.116 0.000 1.030 171 N CA 1.352 54.480 53.050 0.130 0.000 0.849 171 N CB -0.114 38.439 38.487 0.110 0.000 1.012 171 N HN 0.060 nan 8.380 nan 0.000 0.423 172 V N 1.204 121.162 119.914 0.074 0.000 2.343 172 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 172 V C 2.397 178.477 176.094 -0.023 0.000 1.051 172 V CA 1.437 63.750 62.300 0.022 0.000 1.036 172 V CB -0.554 31.238 31.823 -0.052 0.000 0.654 172 V HN 0.425 nan 8.190 nan 0.000 0.451 173 Q N -0.510 119.279 119.800 -0.019 0.000 2.224 173 Q HA -0.173 4.166 4.340 -0.001 0.000 0.203 173 Q C 2.019 178.039 176.000 0.032 0.000 0.970 173 Q CA 1.294 57.083 55.803 -0.022 0.000 0.865 173 Q CB -0.477 28.246 28.738 -0.026 0.000 0.922 173 Q HN 0.638 nan 8.270 nan 0.000 0.445 174 D N -0.344 120.107 120.400 0.086 0.000 2.097 174 D HA -0.114 4.525 4.640 -0.001 0.000 0.195 174 D C 2.021 178.366 176.300 0.075 0.000 0.989 174 D CA 0.961 55.019 54.000 0.097 0.000 0.827 174 D CB -0.008 40.877 40.800 0.142 0.000 0.966 174 D HN 0.049 nan 8.370 nan 0.000 0.456 175 V N 1.389 121.371 119.914 0.114 0.000 2.343 175 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 175 V C 2.765 178.905 176.094 0.076 0.000 1.051 175 V CA 1.617 64.001 62.300 0.141 0.000 1.036 175 V CB -0.701 31.285 31.823 0.272 0.000 0.654 175 V HN 0.130 nan 8.190 nan 0.000 0.451 176 V N -1.547 118.388 119.914 0.035 0.000 2.295 176 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 176 V C 2.259 178.229 176.094 -0.206 0.000 1.049 176 V CA 2.095 64.354 62.300 -0.070 0.000 1.024 176 V CB -1.200 30.530 31.823 -0.155 0.000 0.648 176 V HN 0.308 nan 8.190 nan 0.000 0.447 177 V N 0.975 120.775 119.914 -0.191 0.000 2.343 177 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 177 V C 2.820 178.700 176.094 -0.357 0.000 1.051 177 V CA 2.683 64.781 62.300 -0.335 0.000 1.036 177 V CB -1.316 30.457 31.823 -0.082 0.000 0.654 177 V HN 0.661 nan 8.190 nan 0.000 0.451 178 T N -0.427 114.026 114.554 -0.169 0.000 2.788 178 T HA -0.239 4.110 4.350 -0.001 0.000 0.268 178 T C 1.932 176.562 174.700 -0.117 0.000 1.044 178 T CA 1.782 63.822 62.100 -0.099 0.000 1.139 178 T CB -0.178 68.713 68.868 0.039 0.000 0.867 178 T HN 0.483 nan 8.240 nan 0.000 0.454 179 K N 1.099 121.403 120.400 -0.160 0.000 2.025 179 K HA -0.006 4.313 4.320 -0.001 0.000 0.207 179 K C 2.557 179.027 176.600 -0.216 0.000 1.049 179 K CA 1.190 57.376 56.287 -0.169 0.000 0.933 179 K CB -0.327 31.984 32.500 -0.315 0.000 0.714 179 K HN 0.268 nan 8.250 nan 0.000 0.438 180 A N 1.778 124.357 122.820 -0.402 0.000 1.902 180 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 180 A C 2.158 179.453 177.584 -0.481 0.000 1.181 180 A CA 1.277 52.988 52.037 -0.543 0.000 0.623 180 A CB -0.675 17.669 19.000 -1.093 0.000 0.818 180 A HN 0.432 nan 8.150 nan 0.000 0.443 181 L N -1.020 119.904 121.223 -0.498 0.000 2.017 181 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 181 L C 2.545 179.410 176.870 -0.008 0.000 1.073 181 L CA 1.796 56.546 54.840 -0.151 0.000 0.745 181 L CB -0.316 41.722 42.059 -0.036 0.000 0.894 181 L HN 0.504 nan 8.230 nan 0.000 0.432 182 L N 0.296 121.505 121.223 -0.025 0.000 1.971 182 L HA -0.285 4.055 4.340 -0.001 0.000 0.215 182 L C 2.368 179.228 176.870 -0.016 0.000 1.072 182 L CA 2.009 56.856 54.840 0.012 0.000 0.758 182 L CB -0.607 41.474 42.059 0.038 0.000 0.889 182 L HN 0.274 nan 8.230 nan 0.000 0.433 183 E N -0.515 119.678 120.200 -0.012 0.000 2.118 183 E HA -0.297 4.052 4.350 -0.001 0.000 0.195 183 E C 2.167 178.779 176.600 0.020 0.000 0.992 183 E CA 1.427 57.826 56.400 -0.001 0.000 0.804 183 E CB -0.266 29.447 29.700 0.021 0.000 0.741 183 E HN 0.517 nan 8.360 nan 0.000 0.458 184 K N 1.169 121.602 120.400 0.056 0.000 2.057 184 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 184 K C 2.131 178.798 176.600 0.113 0.000 1.049 184 K CA 0.975 57.339 56.287 0.128 0.000 0.931 184 K CB -0.023 32.617 32.500 0.234 0.000 0.714 184 K HN 0.084 nan 8.250 nan 0.000 0.440 185 L N 0.836 122.107 121.223 0.080 0.000 2.093 185 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 185 L C 2.200 179.050 176.870 -0.033 0.000 1.085 185 L CA 0.787 55.656 54.840 0.049 0.000 0.755 185 L CB -0.254 41.834 42.059 0.049 0.000 0.904 185 L HN 0.200 nan 8.230 nan 0.000 0.435 186 L N -0.302 120.800 121.223 -0.202 0.000 2.551 186 L HA -0.073 4.266 4.340 -0.001 0.000 0.228 186 L C 2.338 179.148 176.870 -0.101 0.000 1.153 186 L CA 0.747 55.311 54.840 -0.461 0.000 0.851 186 L CB -0.405 41.392 42.059 -0.437 0.000 0.959 186 L HN 0.360 nan 8.230 nan 0.000 0.451 187 S N -2.894 112.823 115.700 0.027 0.000 2.575 187 S HA -0.033 4.437 4.470 -0.001 0.000 0.215 187 S C 0.747 175.432 174.600 0.142 0.000 0.966 187 S CA -0.401 57.853 58.200 0.090 0.000 0.911 187 S CB -0.194 63.058 63.200 0.087 0.000 0.780 187 S HN 0.258 nan 8.310 nan 0.000 0.514 188 D N 2.274 122.792 120.400 0.197 0.000 2.402 188 D HA 0.303 4.942 4.640 -0.001 0.000 0.235 188 D C 1.329 177.785 176.300 0.259 0.000 1.226 188 D CA 0.191 54.334 54.000 0.239 0.000 0.918 188 D CB 1.216 42.192 40.800 0.294 0.000 1.043 188 D HN 0.402 nan 8.370 nan 0.000 0.506 189 K N 3.100 123.604 120.400 0.174 0.000 2.218 189 K HA -0.250 4.070 4.320 -0.001 0.000 0.205 189 K C 1.786 178.421 176.600 0.057 0.000 1.046 189 K CA 2.049 58.411 56.287 0.125 0.000 0.933 189 K CB -1.053 31.507 32.500 0.099 0.000 0.728 189 K HN 0.716 nan 8.250 nan 0.000 0.454 190 H N -1.649 117.386 119.070 -0.057 0.000 2.387 190 H HA -0.050 4.505 4.556 -0.002 0.000 0.299 190 H C 1.547 176.595 175.328 -0.468 0.000 1.090 190 H CA 2.291 58.173 56.048 -0.276 0.000 1.332 190 H CB 0.012 29.514 29.762 -0.433 0.000 1.386 190 H HN 0.621 nan 8.280 nan 0.000 0.516 191 Y N -1.932 118.255 120.300 -0.189 0.000 2.507 191 Y HA 0.217 4.766 4.550 -0.001 0.000 0.263 191 Y C -0.274 175.028 175.900 -0.996 0.000 1.093 191 Y CA -0.182 57.588 58.100 -0.549 0.000 1.285 191 Y CB 0.675 38.821 38.460 -0.524 0.000 1.115 191 Y HN 0.002 nan 8.280 nan 0.000 0.533 192 F N 0.658 120.527 119.950 -0.134 0.000 2.577 192 F HA 0.442 4.968 4.527 -0.001 0.000 0.344 192 F C -2.676 173.092 175.800 -0.053 0.000 1.145 192 F CA -3.255 54.539 58.000 -0.342 0.000 0.996 192 F CB 1.190 39.855 39.000 -0.559 0.000 1.248 192 F HN -0.291 nan 8.300 nan 0.000 0.447 193 P HA 0.023 nan 4.420 nan 0.000 0.261 193 P C -2.000 175.450 177.300 0.250 0.000 1.183 193 P CA -0.639 62.575 63.100 0.192 0.000 0.761 193 P CB 0.504 32.311 31.700 0.179 0.000 0.785 194 P HA -0.185 nan 4.420 nan 0.000 0.218 194 P C 0.724 178.079 177.300 0.092 0.000 1.148 194 P CA 1.409 64.584 63.100 0.125 0.000 0.822 194 P CB -0.022 31.730 31.700 0.087 0.000 0.784 195 E N -0.962 119.279 120.200 0.068 0.000 2.418 195 E HA 0.013 4.363 4.350 -0.001 0.000 0.197 195 E C 0.569 177.157 176.600 -0.020 0.000 1.026 195 E CA 0.484 56.897 56.400 0.023 0.000 0.862 195 E CB -0.479 29.227 29.700 0.011 0.000 0.799 195 E HN 0.330 nan 8.360 nan 0.000 0.518 196 I N 1.202 121.760 120.570 -0.020 0.000 2.404 196 I HA 0.155 4.325 4.170 -0.001 0.000 0.293 196 I C -0.350 175.647 176.117 -0.200 0.000 0.992 196 I CA -0.989 60.183 61.300 -0.214 0.000 1.149 196 I CB 1.556 39.242 38.000 -0.523 0.000 1.315 196 I HN -0.176 nan 8.210 nan 0.000 0.446 197 D N 6.028 126.295 120.400 -0.222 0.000 2.393 197 D HA 0.136 4.775 4.640 -0.001 0.000 0.232 197 D C 0.538 176.695 176.300 -0.238 0.000 1.192 197 D CA -0.094 53.825 54.000 -0.135 0.000 0.882 197 D CB 0.496 41.231 40.800 -0.108 0.000 1.038 197 D HN 0.293 nan 8.370 nan 0.000 0.499 198 F N 1.169 121.054 119.950 -0.109 0.000 2.771 198 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 198 F C 2.437 178.171 175.800 -0.111 0.000 1.177 198 F CA 0.745 58.687 58.000 -0.096 0.000 1.450 198 F CB 0.011 38.905 39.000 -0.176 0.000 1.114 198 F HN 0.356 nan 8.300 nan 0.000 0.587 199 T N -4.887 109.580 114.554 -0.144 0.000 3.086 199 T HA 0.071 4.420 4.350 -0.001 0.000 0.250 199 T C 0.652 175.148 174.700 -0.340 0.000 1.074 199 T CA 0.191 62.035 62.100 -0.426 0.000 0.988 199 T CB -0.074 68.237 68.868 -0.928 0.000 0.988 199 T HN 0.075 nan 8.240 nan 0.000 0.530 200 D N 1.279 121.559 120.400 -0.199 0.000 2.819 200 D HA 0.303 4.942 4.640 -0.001 0.000 0.326 200 D C -0.257 175.965 176.300 -0.129 0.000 1.408 200 D CA -0.360 53.554 54.000 -0.143 0.000 0.811 200 D CB 0.865 41.594 40.800 -0.118 0.000 1.148 200 D HN 0.408 nan 8.370 nan 0.000 0.457 201 V N -2.870 116.974 119.914 -0.118 0.000 3.078 201 V HA 0.970 5.089 4.120 -0.001 0.000 0.311 201 V C 0.795 176.853 176.094 -0.059 0.000 1.138 201 V CA -0.728 61.506 62.300 -0.111 0.000 1.007 201 V CB 1.260 32.974 31.823 -0.182 0.000 1.045 201 V HN 0.001 nan 8.190 nan 0.000 0.432 202 G N 0.655 109.416 108.800 -0.066 0.000 2.651 202 G HA2 0.276 4.235 3.960 -0.001 0.000 0.260 202 G HA3 0.276 4.235 3.960 -0.001 0.000 0.260 202 G C 0.212 175.092 174.900 -0.033 0.000 1.216 202 G CA 0.342 45.413 45.100 -0.047 0.000 0.913 202 G HN 1.425 nan 8.290 nan 0.000 0.535 203 Y N -1.084 119.194 120.300 -0.037 0.000 2.145 203 Y HA -0.144 4.405 4.550 -0.001 0.000 0.286 203 Y C 2.779 178.707 175.900 0.046 0.000 1.145 203 Y CA 2.119 60.183 58.100 -0.059 0.000 1.148 203 Y CB -1.093 37.382 38.460 0.024 0.000 0.981 203 Y HN 0.481 nan 8.280 nan 0.000 0.507 204 T N -0.553 113.567 114.554 -0.724 0.000 2.759 204 T HA -0.206 4.143 4.350 -0.001 0.000 0.269 204 T C 1.710 176.384 174.700 -0.042 0.000 1.042 204 T CA 2.427 64.317 62.100 -0.349 0.000 1.140 204 T CB -0.912 67.637 68.868 -0.532 0.000 0.864 204 T HN 0.625 nan 8.240 nan 0.000 0.455 205 T N 0.884 115.390 114.554 -0.081 0.000 2.812 205 T HA 0.055 4.404 4.350 -0.001 0.000 0.264 205 T C 1.314 176.062 174.700 0.080 0.000 1.042 205 T CA 1.197 63.284 62.100 -0.022 0.000 1.140 205 T CB -0.566 68.247 68.868 -0.092 0.000 0.870 205 T HN 0.480 nan 8.240 nan 0.000 0.445 206 F N 0.573 120.471 119.950 -0.086 0.000 2.065 206 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 206 F C 1.834 177.632 175.800 -0.004 0.000 1.112 206 F CA 1.395 59.373 58.000 -0.036 0.000 1.212 206 F CB -0.447 38.304 39.000 -0.416 0.000 0.975 206 F HN 0.270 nan 8.300 nan 0.000 0.476 207 W N 0.079 121.638 121.300 0.432 0.000 2.409 207 W HA -0.125 4.534 4.660 -0.001 0.000 0.299 207 W C 2.923 179.528 176.519 0.142 0.000 1.203 207 W CA 1.031 58.541 57.345 0.274 0.000 1.298 207 W CB -0.999 28.610 29.460 0.248 0.000 1.127 207 W HN 0.104 nan 8.180 nan 0.000 0.528 208 S N -0.230 115.667 115.700 0.329 0.000 2.428 208 S HA -0.100 4.369 4.470 -0.001 0.000 0.230 208 S C 1.380 176.066 174.600 0.144 0.000 1.014 208 S CA 1.030 59.349 58.200 0.200 0.000 0.957 208 S CB -0.261 63.021 63.200 0.136 0.000 0.784 208 S HN 0.175 nan 8.310 nan 0.000 0.499 209 E N 1.798 122.094 120.200 0.160 0.000 2.472 209 E HA 0.178 4.527 4.350 -0.001 0.000 0.196 209 E C 0.662 177.368 176.600 0.177 0.000 1.033 209 E CA 0.264 56.767 56.400 0.172 0.000 0.886 209 E CB 0.561 30.361 29.700 0.167 0.000 0.944 209 E HN 0.734 nan 8.360 nan 0.000 0.492 210 S N 0.322 116.044 115.700 0.038 0.000 2.687 210 S HA 0.395 4.864 4.470 -0.001 0.000 0.283 210 S C 0.214 174.701 174.600 -0.188 0.000 1.170 210 S CA -0.932 57.096 58.200 -0.286 0.000 1.008 210 S CB 1.628 64.444 63.200 -0.641 0.000 1.026 210 S HN 0.053 nan 8.310 nan 0.000 0.541 211 L N 1.658 122.693 121.223 -0.313 0.000 2.543 211 L HA 0.101 4.440 4.340 -0.001 0.000 0.285 211 L C 1.849 178.717 176.870 -0.003 0.000 1.236 211 L CA 0.615 55.349 54.840 -0.177 0.000 0.871 211 L CB -0.129 41.764 42.059 -0.277 0.000 1.121 211 L HN 1.034 nan 8.230 nan 0.000 0.501 212 E N 3.173 123.421 120.200 0.080 0.000 2.130 212 E HA -0.291 4.058 4.350 -0.001 0.000 0.196 212 E C 1.702 178.436 176.600 0.224 0.000 0.998 212 E CA 1.472 57.986 56.400 0.190 0.000 0.806 212 E CB 0.060 29.927 29.700 0.277 0.000 0.738 212 E HN 0.905 nan 8.360 nan 0.000 0.459 213 A N 0.383 123.328 122.820 0.207 0.000 1.978 213 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 213 A C 2.381 180.117 177.584 0.255 0.000 1.170 213 A CA 1.513 53.696 52.037 0.243 0.000 0.636 213 A CB -0.607 18.553 19.000 0.267 0.000 0.810 213 A HN 0.245 nan 8.150 nan 0.000 0.448 214 V N 0.404 120.468 119.914 0.250 0.000 2.343 214 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 214 V C 2.344 178.766 176.094 0.547 0.000 1.051 214 V CA 2.501 65.028 62.300 0.379 0.000 1.036 214 V CB -0.733 31.248 31.823 0.264 0.000 0.654 214 V HN 0.757 nan 8.190 nan 0.000 0.451 215 D N 0.011 120.653 120.400 0.403 0.000 2.097 215 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 215 D C 2.005 178.358 176.300 0.088 0.000 0.984 215 D CA 1.389 55.499 54.000 0.183 0.000 0.826 215 D CB -0.164 40.724 40.800 0.145 0.000 0.973 215 D HN 0.404 nan 8.370 nan 0.000 0.460 216 I N 0.530 121.193 120.570 0.155 0.000 2.163 216 I HA -0.214 3.956 4.170 -0.001 0.000 0.243 216 I C 2.297 178.488 176.117 0.124 0.000 1.085 216 I CA 1.048 62.427 61.300 0.132 0.000 1.347 216 I CB -0.294 37.836 38.000 0.215 0.000 1.044 216 I HN 0.092 nan 8.210 nan 0.000 0.408 217 E N 0.169 120.466 120.200 0.161 0.000 2.077 217 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 217 E C 2.126 178.753 176.600 0.045 0.000 0.989 217 E CA 1.521 57.981 56.400 0.099 0.000 0.800 217 E CB -0.439 29.306 29.700 0.075 0.000 0.746 217 E HN 0.607 nan 8.360 nan 0.000 0.452 218 H N 0.179 119.309 119.070 0.100 0.000 2.389 218 H HA 0.050 4.605 4.556 -0.002 0.000 0.299 218 H C 2.249 177.651 175.328 0.123 0.000 1.081 218 H CA 1.391 57.507 56.048 0.113 0.000 1.345 218 H CB 0.126 29.968 29.762 0.133 0.000 1.393 218 H HN 0.001 nan 8.280 nan 0.000 0.520 219 R N -0.114 120.435 120.500 0.082 0.000 2.075 219 R HA -0.009 4.330 4.340 -0.001 0.000 0.232 219 R C 2.472 178.801 176.300 0.048 0.000 1.126 219 R CA 0.926 57.025 56.100 -0.002 0.000 0.963 219 R CB -0.154 30.078 30.300 -0.113 0.000 0.858 219 R HN 0.287 nan 8.270 nan 0.000 0.435 220 A N 1.128 123.967 122.820 0.032 0.000 1.933 220 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 220 A C 2.310 179.924 177.584 0.051 0.000 1.175 220 A CA 1.648 53.680 52.037 -0.007 0.000 0.628 220 A CB -0.490 18.511 19.000 0.002 0.000 0.814 220 A HN 0.396 nan 8.150 nan 0.000 0.444 221 A N -1.435 121.457 122.820 0.120 0.000 1.898 221 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 221 A C 2.099 179.830 177.584 0.247 0.000 1.181 221 A CA 1.207 53.338 52.037 0.157 0.000 0.620 221 A CB -0.797 18.263 19.000 0.100 0.000 0.819 221 A HN 0.820 nan 8.150 nan 0.000 0.442 222 W N 0.396 121.779 121.300 0.139 0.000 2.355 222 W HA -0.184 4.476 4.660 -0.002 0.000 0.309 222 W C 1.824 178.270 176.519 -0.122 0.000 1.206 222 W CA 1.918 59.250 57.345 -0.022 0.000 1.284 222 W CB -0.408 28.991 29.460 -0.101 0.000 1.145 222 W HN 0.365 nan 8.180 nan 0.000 0.502 223 L N 1.232 122.521 121.223 0.109 0.000 2.017 223 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 223 L C 2.403 179.183 176.870 -0.149 0.000 1.073 223 L CA 1.960 56.742 54.840 -0.095 0.000 0.745 223 L CB -1.225 40.729 42.059 -0.174 0.000 0.894 223 L HN -0.061 nan 8.230 nan 0.000 0.432 224 L N -0.606 120.579 121.223 -0.064 0.000 2.141 224 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 224 L C 2.650 179.501 176.870 -0.033 0.000 1.094 224 L CA 0.912 55.748 54.840 -0.008 0.000 0.763 224 L CB -0.904 41.197 42.059 0.069 0.000 0.908 224 L HN 0.390 nan 8.230 nan 0.000 0.437 225 A N 0.421 123.190 122.820 -0.085 0.000 1.902 225 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 225 A C 2.316 179.784 177.584 -0.193 0.000 1.181 225 A CA 1.970 53.928 52.037 -0.132 0.000 0.623 225 A CB -0.362 18.509 19.000 -0.216 0.000 0.818 225 A HN 0.250 nan 8.150 nan 0.000 0.443 226 K N 0.201 120.427 120.400 -0.290 0.000 2.057 226 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 226 K C 2.205 178.648 176.600 -0.262 0.000 1.049 226 K CA 2.109 58.175 56.287 -0.367 0.000 0.931 226 K CB -0.472 31.699 32.500 -0.549 0.000 0.714 226 K HN 0.598 nan 8.250 nan 0.000 0.440 227 Q N 0.474 120.180 119.800 -0.157 0.000 2.061 227 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 227 Q C 1.879 177.889 176.000 0.017 0.000 0.984 227 Q CA 2.047 57.831 55.803 -0.030 0.000 0.846 227 Q CB -0.140 28.646 28.738 0.081 0.000 0.902 227 Q HN 0.496 nan 8.270 nan 0.000 0.421 228 E N -0.054 120.172 120.200 0.044 0.000 2.070 228 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 228 E C 2.214 178.951 176.600 0.229 0.000 1.004 228 E CA 1.196 57.672 56.400 0.127 0.000 0.805 228 E CB -0.031 29.726 29.700 0.095 0.000 0.744 228 E HN 0.299 nan 8.360 nan 0.000 0.451 229 R N 0.378 120.936 120.500 0.095 0.000 2.096 229 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 229 R C 2.077 178.514 176.300 0.227 0.000 1.127 229 R CA 1.236 57.401 56.100 0.108 0.000 0.968 229 R CB -0.056 30.205 30.300 -0.066 0.000 0.861 229 R HN 0.141 nan 8.270 nan 0.000 0.440 230 N N -0.284 118.454 118.700 0.063 0.000 2.084 230 N HA -0.063 4.676 4.740 -0.001 0.000 0.190 230 N C 0.982 176.668 175.510 0.293 0.000 1.030 230 N CA 1.450 54.528 53.050 0.047 0.000 0.849 230 N CB -0.402 37.893 38.487 -0.321 0.000 1.012 230 N HN 0.350 nan 8.380 nan 0.000 0.423 231 G N -0.020 108.806 108.800 0.043 0.000 2.795 231 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.664 231 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.664 231 G C -1.210 173.717 174.900 0.044 0.000 1.381 231 G CA -0.525 44.395 45.100 -0.299 0.000 0.853 231 G HN 0.205 nan 8.290 nan 0.000 0.545 232 F N 2.060 121.979 119.950 -0.051 0.000 2.403 232 F HA 0.609 5.135 4.527 -0.002 0.000 0.355 232 F C -1.925 173.935 175.800 0.101 0.000 1.119 232 F CA -2.810 55.256 58.000 0.110 0.000 1.007 232 F CB 1.844 40.967 39.000 0.206 0.000 1.194 232 F HN 0.234 nan 8.300 nan 0.000 0.443 233 P HA -0.066 nan 4.420 nan 0.000 0.260 233 P C -1.125 176.370 177.300 0.324 0.000 1.172 233 P CA 0.754 64.019 63.100 0.274 0.000 0.760 233 P CB 0.021 31.848 31.700 0.211 0.000 0.773 234 F N 3.215 123.115 119.950 -0.083 0.000 2.507 234 F HA 0.308 4.834 4.527 -0.002 0.000 0.325 234 F C 0.054 175.613 175.800 -0.402 0.000 1.116 234 F CA -1.049 56.732 58.000 -0.365 0.000 0.930 234 F CB 1.415 40.164 39.000 -0.417 0.000 1.146 234 F HN 0.100 nan 8.300 nan 0.000 0.447 235 D N 4.179 123.832 120.400 -1.244 0.000 2.558 235 D HA 0.119 4.758 4.640 -0.001 0.000 0.221 235 D C 1.068 176.792 176.300 -0.960 0.000 1.143 235 D CA 0.279 53.625 54.000 -1.090 0.000 1.010 235 D CB 0.653 40.709 40.800 -1.240 0.000 1.068 235 D HN 0.668 nan 8.370 nan 0.000 0.511 236 T N 1.823 116.042 114.554 -0.558 0.000 2.699 236 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 236 T C 1.780 176.380 174.700 -0.166 0.000 1.036 236 T CA 0.870 62.837 62.100 -0.222 0.000 1.147 236 T CB 0.133 69.023 68.868 0.038 0.000 0.862 236 T HN 0.243 nan 8.240 nan 0.000 0.446 237 K N 1.351 121.653 120.400 -0.164 0.000 2.032 237 K HA 0.025 4.344 4.320 -0.001 0.000 0.209 237 K C 2.536 179.073 176.600 -0.105 0.000 1.048 237 K CA 1.587 57.815 56.287 -0.098 0.000 0.927 237 K CB -0.758 31.693 32.500 -0.083 0.000 0.712 237 K HN 0.346 nan 8.250 nan 0.000 0.441 238 A N 1.275 123.986 122.820 -0.182 0.000 1.933 238 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 238 A C 2.052 179.582 177.584 -0.091 0.000 1.175 238 A CA 1.285 53.239 52.037 -0.138 0.000 0.628 238 A CB -0.353 18.532 19.000 -0.190 0.000 0.814 238 A HN 0.246 nan 8.150 nan 0.000 0.444 239 I N 0.011 120.499 120.570 -0.136 0.000 2.500 239 I HA -0.133 4.036 4.170 -0.001 0.000 0.252 239 I C 2.144 178.323 176.117 0.103 0.000 1.142 239 I CA 1.099 62.410 61.300 0.017 0.000 1.451 239 I CB -1.595 36.459 38.000 0.089 0.000 1.093 239 I HN 0.461 nan 8.210 nan 0.000 0.430 240 E N 0.833 121.081 120.200 0.080 0.000 2.150 240 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 240 E C 1.896 178.561 176.600 0.109 0.000 0.985 240 E CA 0.990 57.473 56.400 0.139 0.000 0.814 240 E CB -0.008 29.747 29.700 0.091 0.000 0.752 240 E HN 0.577 nan 8.360 nan 0.000 0.466 241 E N 0.557 120.787 120.200 0.049 0.000 2.158 241 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 241 E C 2.068 178.688 176.600 0.035 0.000 0.982 241 E CA 0.337 56.752 56.400 0.025 0.000 0.823 241 E CB 0.011 29.716 29.700 0.008 0.000 0.766 241 E HN 0.095 nan 8.360 nan 0.000 0.468 242 L N 0.582 121.839 121.223 0.057 0.000 2.093 242 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 242 L C 2.233 179.139 176.870 0.060 0.000 1.085 242 L CA 1.523 56.391 54.840 0.047 0.000 0.755 242 L CB -0.479 41.620 42.059 0.066 0.000 0.904 242 L HN 0.099 nan 8.230 nan 0.000 0.435 243 Y N -0.426 119.846 120.300 -0.047 0.000 2.200 243 Y HA -0.161 4.388 4.550 -0.001 0.000 0.290 243 Y C 2.337 178.199 175.900 -0.063 0.000 1.137 243 Y CA 1.749 59.812 58.100 -0.061 0.000 1.163 243 Y CB -0.795 37.647 38.460 -0.029 0.000 0.988 243 Y HN 0.033 nan 8.280 nan 0.000 0.518 244 V N 0.818 120.642 119.914 -0.150 0.000 2.343 244 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 244 V C 2.444 178.451 176.094 -0.145 0.000 1.051 244 V CA 2.288 64.450 62.300 -0.230 0.000 1.036 244 V CB -0.737 31.008 31.823 -0.130 0.000 0.654 244 V HN 0.450 nan 8.190 nan 0.000 0.451 245 E N 0.071 120.227 120.200 -0.074 0.000 2.077 245 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 245 E C 2.202 178.759 176.600 -0.071 0.000 0.989 245 E CA 1.472 57.845 56.400 -0.046 0.000 0.800 245 E CB -0.117 29.579 29.700 -0.007 0.000 0.746 245 E HN 0.591 nan 8.360 nan 0.000 0.452 246 L N 0.221 121.378 121.223 -0.111 0.000 2.109 246 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 246 L C 2.675 179.482 176.870 -0.104 0.000 1.086 246 L CA 0.873 55.626 54.840 -0.146 0.000 0.760 246 L CB -0.402 41.551 42.059 -0.177 0.000 0.910 246 L HN 0.184 nan 8.230 nan 0.000 0.437 247 A N 0.152 122.899 122.820 -0.123 0.000 1.930 247 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 247 A C 2.525 180.052 177.584 -0.095 0.000 1.175 247 A CA 1.624 53.577 52.037 -0.140 0.000 0.627 247 A CB -0.567 18.248 19.000 -0.309 0.000 0.815 247 A HN 0.381 nan 8.150 nan 0.000 0.443 248 A N -0.346 122.422 122.820 -0.086 0.000 1.898 248 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 248 A C 2.168 179.746 177.584 -0.011 0.000 1.181 248 A CA 1.899 53.910 52.037 -0.044 0.000 0.620 248 A CB -0.383 18.594 19.000 -0.038 0.000 0.819 248 A HN 0.409 nan 8.150 nan 0.000 0.442 249 R N 0.254 120.748 120.500 -0.011 0.000 2.115 249 R HA -0.044 4.295 4.340 -0.001 0.000 0.230 249 R C 2.179 178.493 176.300 0.023 0.000 1.111 249 R CA 1.782 57.895 56.100 0.021 0.000 0.976 249 R CB -0.616 29.706 30.300 0.036 0.000 0.870 249 R HN 0.580 nan 8.270 nan 0.000 0.445 250 R N -0.534 119.948 120.500 -0.030 0.000 2.075 250 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 250 R C 1.917 178.276 176.300 0.098 0.000 1.126 250 R CA 1.811 57.879 56.100 -0.054 0.000 0.963 250 R CB -0.265 29.933 30.300 -0.170 0.000 0.858 250 R HN 0.193 nan 8.270 nan 0.000 0.435 251 S N 0.704 116.440 115.700 0.060 0.000 2.359 251 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 251 S C 1.686 176.343 174.600 0.096 0.000 1.035 251 S CA 1.669 59.916 58.200 0.079 0.000 1.018 251 S CB -0.317 62.903 63.200 0.033 0.000 0.876 251 S HN 0.409 nan 8.310 nan 0.000 0.448 252 E N 1.408 121.654 120.200 0.077 0.000 2.110 252 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 252 E C 1.809 178.475 176.600 0.110 0.000 0.988 252 E CA 1.026 57.471 56.400 0.076 0.000 0.804 252 E CB -0.405 29.329 29.700 0.058 0.000 0.745 252 E HN 0.485 nan 8.360 nan 0.000 0.458 253 L N -0.267 121.051 121.223 0.159 0.000 2.156 253 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 253 L C 2.313 179.321 176.870 0.231 0.000 1.095 253 L CA 0.493 55.464 54.840 0.218 0.000 0.770 253 L CB -0.363 41.895 42.059 0.332 0.000 0.914 253 L HN 0.250 nan 8.230 nan 0.000 0.439 254 L N 0.094 121.469 121.223 0.252 0.000 2.056 254 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 254 L C 2.713 179.666 176.870 0.139 0.000 1.078 254 L CA 1.606 56.564 54.840 0.197 0.000 0.749 254 L CB -0.598 41.591 42.059 0.215 0.000 0.901 254 L HN 0.114 nan 8.230 nan 0.000 0.433 255 R N -0.384 120.182 120.500 0.111 0.000 2.073 255 R HA -0.186 4.153 4.340 -0.001 0.000 0.234 255 R C 2.314 178.651 176.300 0.062 0.000 1.134 255 R CA 1.793 57.938 56.100 0.075 0.000 0.952 255 R CB -0.140 30.194 30.300 0.057 0.000 0.850 255 R HN 0.346 nan 8.270 nan 0.000 0.433 256 K N 0.227 120.666 120.400 0.065 0.000 2.057 256 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 256 K C 2.186 178.800 176.600 0.022 0.000 1.049 256 K CA 1.416 57.725 56.287 0.036 0.000 0.931 256 K CB -0.109 32.417 32.500 0.044 0.000 0.714 256 K HN 0.224 nan 8.250 nan 0.000 0.440 257 L N 0.650 121.924 121.223 0.086 0.000 2.056 257 L HA -0.141 4.198 4.340 -0.001 0.000 0.207 257 L C 2.504 179.427 176.870 0.088 0.000 1.078 257 L CA 1.505 56.416 54.840 0.118 0.000 0.749 257 L CB -0.785 41.442 42.059 0.279 0.000 0.901 257 L HN 0.336 nan 8.230 nan 0.000 0.433 258 T N -3.688 110.950 114.554 0.141 0.000 3.113 258 T HA -0.165 4.184 4.350 -0.001 0.000 0.263 258 T C 1.512 176.240 174.700 0.046 0.000 1.143 258 T CA 0.920 63.100 62.100 0.134 0.000 1.090 258 T CB -0.070 68.876 68.868 0.130 0.000 0.922 258 T HN 0.414 nan 8.240 nan 0.000 0.521 259 E N 0.979 121.177 120.200 -0.003 0.000 2.102 259 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 259 E C 1.796 178.326 176.600 -0.117 0.000 0.971 259 E CA 0.944 57.321 56.400 -0.038 0.000 0.821 259 E CB -0.035 29.644 29.700 -0.035 0.000 0.777 259 E HN 0.485 nan 8.360 nan 0.000 0.460 260 T N 0.261 114.678 114.554 -0.228 0.000 2.851 260 T HA -0.003 4.347 4.350 -0.001 0.000 0.262 260 T C 0.102 174.431 174.700 -0.619 0.000 1.043 260 T CA 0.729 62.543 62.100 -0.477 0.000 1.140 260 T CB -0.094 68.347 68.868 -0.713 0.000 0.872 260 T HN 0.017 nan 8.240 nan 0.000 0.446 261 F N 2.071 121.861 119.950 -0.266 0.000 2.307 261 F HA 0.562 5.089 4.527 -0.001 0.000 0.369 261 F C 1.042 176.776 175.800 -0.110 0.000 1.076 261 F CA -1.729 56.071 58.000 -0.334 0.000 1.149 261 F CB 0.203 38.647 39.000 -0.927 0.000 1.410 261 F HN 0.013 nan 8.300 nan 0.000 0.481 262 G N 1.225 110.110 108.800 0.142 0.000 2.664 262 G HA2 0.332 4.291 3.960 -0.001 0.000 0.242 262 G HA3 0.332 4.291 3.960 -0.001 0.000 0.242 262 G C 0.250 175.358 174.900 0.348 0.000 1.225 262 G CA -0.462 44.752 45.100 0.190 0.000 0.849 262 G HN 0.627 nan 8.290 nan 0.000 0.581 263 S N -0.479 115.358 115.700 0.228 0.000 2.606 263 S HA 0.622 5.091 4.470 -0.001 0.000 0.257 263 S C -0.359 174.449 174.600 0.348 0.000 1.327 263 S CA 0.357 58.605 58.200 0.079 0.000 0.984 263 S CB 0.542 63.583 63.200 -0.264 0.000 0.941 263 S HN 1.348 nan 8.310 nan 0.000 0.576 264 W N -2.368 118.929 121.300 -0.005 0.000 2.937 264 W HA 0.698 5.357 4.660 -0.001 0.000 0.360 264 W C -2.516 174.034 176.519 0.052 0.000 1.215 264 W CA -1.417 55.985 57.345 0.096 0.000 1.183 264 W CB 0.247 29.753 29.460 0.076 0.000 1.458 264 W HN 0.554 nan 8.180 nan 0.000 0.574 265 Y N 2.331 122.837 120.300 0.344 0.000 2.487 265 Y HA 0.551 5.100 4.550 -0.001 0.000 0.337 265 Y C 0.334 176.405 175.900 0.286 0.000 1.076 265 Y CA -0.806 57.419 58.100 0.209 0.000 1.115 265 Y CB 2.227 40.780 38.460 0.156 0.000 1.235 265 Y HN 0.477 nan 8.280 nan 0.000 0.468 266 Q N 2.017 122.024 119.800 0.344 0.000 2.462 266 Q HA 0.552 4.891 4.340 -0.001 0.000 0.285 266 Q C -3.238 172.883 176.000 0.201 0.000 1.035 266 Q CA -2.621 53.350 55.803 0.281 0.000 0.799 266 Q CB 2.885 31.797 28.738 0.289 0.000 1.452 266 Q HN 0.244 nan 8.270 nan 0.000 0.404 267 P HA 0.083 nan 4.420 nan 0.000 0.267 267 P C -1.117 176.242 177.300 0.099 0.000 1.205 267 P CA 0.060 63.228 63.100 0.114 0.000 0.765 267 P CB 0.740 32.493 31.700 0.088 0.000 0.828 268 K N 2.192 122.644 120.400 0.087 0.000 2.606 268 K HA 0.509 4.828 4.320 -0.001 0.000 0.259 268 K C 0.136 176.772 176.600 0.059 0.000 1.001 268 K CA 0.107 56.437 56.287 0.071 0.000 0.881 268 K CB 0.402 32.948 32.500 0.076 0.000 1.288 268 K HN 0.607 nan 8.250 nan 0.000 0.452 269 G N 1.862 110.685 108.800 0.039 0.000 2.192 269 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.193 269 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.193 269 G C 0.428 175.324 174.900 -0.006 0.000 0.999 269 G CA -0.242 44.872 45.100 0.024 0.000 0.659 269 G HN 1.014 nan 8.290 nan 0.000 0.503 270 G N 0.525 109.319 108.800 -0.009 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 1.050 175.937 174.900 -0.022 0.000 1.257 270 G CA 1.272 46.351 45.100 -0.035 0.000 0.935 270 G HN 1.174 nan 8.290 nan 0.000 0.480 271 T N -0.646 113.884 114.554 -0.040 0.000 2.969 271 T HA 0.237 4.586 4.350 -0.001 0.000 0.250 271 T C 0.654 175.343 174.700 -0.018 0.000 1.021 271 T CA 0.035 62.120 62.100 -0.024 0.000 1.003 271 T CB 0.365 69.215 68.868 -0.030 0.000 1.040 271 T HN 0.492 nan 8.240 nan 0.000 0.492 272 E N 0.639 120.822 120.200 -0.028 0.000 2.227 272 E HA 0.553 4.902 4.350 -0.001 0.000 0.268 272 E C -1.022 175.594 176.600 0.026 0.000 0.990 272 E CA -1.010 55.384 56.400 -0.010 0.000 0.856 272 E CB 1.378 31.061 29.700 -0.028 0.000 1.159 272 E HN 0.184 nan 8.360 nan 0.000 0.401 273 M N 3.478 123.103 119.600 0.041 0.000 2.277 273 M HA 0.295 4.775 4.480 -0.001 0.000 0.350 273 M C -1.430 174.944 176.300 0.122 0.000 1.180 273 M CA -0.360 54.986 55.300 0.077 0.000 1.103 273 M CB 0.643 33.272 32.600 0.048 0.000 1.577 273 M HN 0.428 nan 8.290 nan 0.000 0.459 274 F N 5.284 125.236 119.950 0.003 0.000 2.411 274 F HA 0.520 5.046 4.527 -0.001 0.000 0.355 274 F C -1.078 174.725 175.800 0.004 0.000 1.117 274 F CA -0.717 57.270 58.000 -0.021 0.000 1.139 274 F CB 0.331 39.300 39.000 -0.050 0.000 1.120 274 F HN 0.596 nan 8.300 nan 0.000 0.493 275 C N 5.787 124.701 119.300 -0.644 0.000 2.417 275 C HA 0.278 4.737 4.460 -0.001 0.000 0.324 275 C C -0.011 174.571 174.990 -0.681 0.000 1.240 275 C CA -0.905 57.819 59.018 -0.490 0.000 1.632 275 C CB 0.655 28.260 27.740 -0.225 0.000 2.241 275 C HN 0.885 nan 8.230 nan 0.000 0.499 276 H N 3.256 122.025 119.070 -0.501 0.000 3.107 276 H HA 0.019 4.574 4.556 -0.001 0.000 0.301 276 H C -1.534 173.639 175.328 -0.259 0.000 0.981 276 H CA -0.688 55.144 56.048 -0.360 0.000 1.443 276 H CB 0.847 30.516 29.762 -0.155 0.000 1.479 276 H HN 0.435 nan 8.280 nan 0.000 0.564 277 P HA -0.241 nan 4.420 nan 0.000 0.214 277 P C 1.541 178.828 177.300 -0.022 0.000 1.163 277 P CA 1.441 64.570 63.100 0.048 0.000 0.889 277 P CB 0.116 31.872 31.700 0.095 0.000 0.790 278 R N -0.972 119.486 120.500 -0.070 0.000 2.064 278 R HA -0.086 4.253 4.340 -0.001 0.000 0.228 278 R C 2.078 178.178 176.300 -0.334 0.000 1.144 278 R CA 2.306 58.264 56.100 -0.236 0.000 0.932 278 R CB -1.055 29.089 30.300 -0.261 0.000 0.833 278 R HN 0.103 nan 8.270 nan 0.000 0.429 279 T N -1.225 112.956 114.554 -0.622 0.000 2.732 279 T HA 0.035 4.384 4.350 -0.001 0.000 0.261 279 T C 1.182 175.761 174.700 -0.200 0.000 1.040 279 T CA 1.651 63.530 62.100 -0.369 0.000 1.145 279 T CB -0.316 68.326 68.868 -0.377 0.000 0.866 279 T HN 0.671 nan 8.240 nan 0.000 0.427 280 G N 1.825 110.523 108.800 -0.169 0.000 2.176 280 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.232 280 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.232 280 G C 0.088 174.942 174.900 -0.077 0.000 0.986 280 G CA 0.216 45.252 45.100 -0.107 0.000 0.643 280 G HN 0.749 nan 8.290 nan 0.000 0.522 281 K N 0.631 120.998 120.400 -0.054 0.000 2.298 281 K HA 0.569 4.888 4.320 -0.001 0.000 0.280 281 K C -2.718 173.874 176.600 -0.014 0.000 1.032 281 K CA -1.587 54.688 56.287 -0.021 0.000 0.958 281 K CB 1.050 33.553 32.500 0.006 0.000 0.978 281 K HN 0.041 nan 8.250 nan 0.000 0.472 282 P HA 0.005 nan 4.420 nan 0.000 0.268 282 P C -0.888 176.446 177.300 0.056 0.000 1.204 282 P CA -0.048 63.058 63.100 0.009 0.000 0.768 282 P CB 0.440 32.150 31.700 0.016 0.000 0.842 283 L N 5.474 126.759 121.223 0.104 0.000 2.784 283 L HA 0.263 4.603 4.340 -0.001 0.000 0.241 283 L C -1.258 175.745 176.870 0.222 0.000 1.352 283 L CA -1.381 53.585 54.840 0.210 0.000 0.911 283 L CB 0.905 43.210 42.059 0.410 0.000 1.227 283 L HN 0.294 nan 8.230 nan 0.000 0.501 284 P HA -0.282 nan 4.420 nan 0.000 0.220 284 P C 1.430 178.789 177.300 0.097 0.000 1.142 284 P CA 1.600 64.763 63.100 0.105 0.000 0.801 284 P CB 0.197 31.935 31.700 0.063 0.000 0.764 285 K N -0.683 119.765 120.400 0.081 0.000 2.062 285 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 285 K C 1.112 177.722 176.600 0.017 0.000 1.051 285 K CA 0.718 57.010 56.287 0.008 0.000 0.941 285 K CB -1.562 30.893 32.500 -0.075 0.000 0.719 285 K HN 0.112 nan 8.250 nan 0.000 0.440 286 Y N 1.212 121.564 120.300 0.087 0.000 2.683 286 Y HA 0.184 4.733 4.550 -0.001 0.000 0.340 286 Y C -1.835 174.092 175.900 0.044 0.000 1.245 286 Y CA -2.143 55.999 58.100 0.070 0.000 1.485 286 Y CB 0.242 38.797 38.460 0.158 0.000 1.328 286 Y HN 0.142 nan 8.280 nan 0.000 0.603 287 P HA 0.009 nan 4.420 nan 0.000 0.267 287 P C -0.511 176.838 177.300 0.081 0.000 1.200 287 P CA -0.040 63.119 63.100 0.099 0.000 0.772 287 P CB 0.529 32.269 31.700 0.067 0.000 0.855 288 R N 2.402 122.938 120.500 0.060 0.000 2.643 288 R HA 0.287 4.626 4.340 -0.001 0.000 0.270 288 R C 0.720 177.008 176.300 -0.020 0.000 1.061 288 R CA -0.072 56.054 56.100 0.043 0.000 1.107 288 R CB -0.330 29.988 30.300 0.030 0.000 0.999 288 R HN 0.585 nan 8.270 nan 0.000 0.460 289 I N -2.101 118.446 120.570 -0.038 0.000 3.540 289 I HA 0.609 4.778 4.170 -0.001 0.000 0.288 289 I C -0.439 175.547 176.117 -0.217 0.000 1.169 289 I CA -1.060 60.149 61.300 -0.152 0.000 1.038 289 I CB 1.862 39.789 38.000 -0.123 0.000 1.338 289 I HN 0.295 nan 8.210 nan 0.000 0.507 290 K N 0.404 120.559 120.400 -0.409 0.000 2.513 290 K HA 0.472 4.791 4.320 -0.001 0.000 0.251 290 K C -1.676 174.697 176.600 -0.377 0.000 0.939 290 K CA -0.407 55.630 56.287 -0.417 0.000 0.793 290 K CB 2.214 34.373 32.500 -0.568 0.000 1.241 290 K HN 0.786 nan 8.250 nan 0.000 0.431 291 T N 6.098 120.552 114.554 -0.168 0.000 2.947 291 T HA 0.282 4.632 4.350 -0.001 0.000 0.337 291 T C -2.502 172.176 174.700 -0.036 0.000 1.139 291 T CA -1.272 60.791 62.100 -0.062 0.000 0.992 291 T CB 0.830 69.686 68.868 -0.020 0.000 1.043 291 T HN 0.478 nan 8.240 nan 0.000 0.498 292 P HA 0.109 nan 4.420 nan 0.000 0.261 292 P C 0.811 178.120 177.300 0.015 0.000 1.173 292 P CA 0.148 63.238 63.100 -0.017 0.000 0.760 292 P CB 0.722 32.416 31.700 -0.009 0.000 0.783 293 K N 3.797 124.202 120.400 0.008 0.000 2.007 293 K HA 0.033 4.352 4.320 -0.001 0.000 0.206 293 K C 1.279 177.898 176.600 0.031 0.000 1.047 293 K CA 1.767 58.064 56.287 0.017 0.000 0.937 293 K CB -1.043 31.463 32.500 0.010 0.000 0.718 293 K HN 0.586 nan 8.250 nan 0.000 0.438 294 V N -2.922 117.016 119.914 0.041 0.000 2.617 294 V HA 0.872 4.991 4.120 -0.001 0.000 0.298 294 V C 0.301 176.441 176.094 0.078 0.000 1.048 294 V CA -0.261 62.070 62.300 0.051 0.000 0.964 294 V CB 0.653 32.505 31.823 0.048 0.000 1.004 294 V HN 1.218 nan 8.190 nan 0.000 0.466 295 G N 1.111 109.953 108.800 0.070 0.000 2.312 295 G HA2 0.592 4.551 3.960 -0.001 0.000 0.322 295 G HA3 0.592 4.551 3.960 -0.001 0.000 0.322 295 G C -0.566 174.370 174.900 0.059 0.000 1.645 295 G CA 0.003 45.152 45.100 0.082 0.000 0.919 295 G HN 1.821 nan 8.290 nan 0.000 0.699 296 G N -0.963 107.863 108.800 0.043 0.000 2.645 296 G HA2 0.830 4.790 3.960 -0.001 0.000 0.292 296 G HA3 0.830 4.790 3.960 -0.001 0.000 0.292 296 G C -0.671 174.240 174.900 0.018 0.000 1.415 296 G CA 0.195 45.313 45.100 0.030 0.000 0.785 296 G HN 1.327 nan 8.290 nan 0.000 0.483 317 T N -0.991 113.549 114.554 -0.024 0.000 3.317 317 T HA 0.329 4.678 4.350 -0.001 0.000 0.250 317 T C 1.153 175.819 174.700 -0.056 0.000 1.106 317 T CA 0.319 62.396 62.100 -0.038 0.000 0.986 317 T CB -0.407 68.440 68.868 -0.035 0.000 1.010 317 T HN 0.463 nan 8.240 nan 0.000 0.560 318 R N 1.919 122.390 120.500 -0.048 0.000 2.694 318 R HA 0.309 4.649 4.340 -0.001 0.000 0.268 318 R C 1.430 177.653 176.300 -0.129 0.000 1.061 318 R CA 0.123 56.182 56.100 -0.069 0.000 1.133 318 R CB -0.190 30.101 30.300 -0.016 0.000 1.020 318 R HN 0.665 nan 8.270 nan 0.000 0.475 319 E N 0.173 120.214 120.200 -0.264 0.000 2.318 319 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 319 E C -0.536 175.819 176.600 -0.408 0.000 0.998 319 E CA 0.645 56.807 56.400 -0.395 0.000 0.859 319 E CB -0.012 29.332 29.700 -0.594 0.000 0.812 319 E HN 0.655 nan 8.360 nan 0.000 0.492 320 Y N 0.308 120.563 120.300 -0.076 0.000 2.403 320 Y HA 0.461 5.010 4.550 -0.001 0.000 0.323 320 Y C 0.206 176.096 175.900 -0.017 0.000 1.226 320 Y CA -1.370 56.692 58.100 -0.064 0.000 1.235 320 Y CB 1.813 40.251 38.460 -0.036 0.000 1.248 320 Y HN -0.297 nan 8.280 nan 0.000 0.489 321 V N 2.106 122.141 119.914 0.201 0.000 2.443 321 V HA 0.552 4.671 4.120 -0.001 0.000 0.293 321 V C -0.182 175.979 176.094 0.112 0.000 1.021 321 V CA -1.602 60.769 62.300 0.118 0.000 0.848 321 V CB 1.110 32.981 31.823 0.081 0.000 0.998 321 V HN 0.957 nan 8.190 nan 0.000 0.424 322 A N 3.764 126.636 122.820 0.086 0.000 2.591 322 A HA 0.429 4.748 4.320 -0.001 0.000 0.244 322 A C 1.659 179.278 177.584 0.059 0.000 1.031 322 A CA 1.182 53.258 52.037 0.065 0.000 0.767 322 A CB -0.596 18.433 19.000 0.048 0.000 0.942 322 A HN 2.335 nan 8.150 nan 0.000 0.514 323 G N 1.234 110.067 108.800 0.055 0.000 2.234 323 G HA2 0.096 4.055 3.960 -0.001 0.000 0.260 323 G HA3 0.096 4.055 3.960 -0.001 0.000 0.260 323 G C 0.603 175.543 174.900 0.068 0.000 0.987 323 G CA 0.535 45.665 45.100 0.049 0.000 0.625 323 G HN 2.348 nan 8.290 nan 0.000 0.532 324 A N 2.345 125.221 122.820 0.093 0.000 2.415 324 A HA 0.674 4.993 4.320 -0.001 0.000 0.309 324 A C -1.266 176.420 177.584 0.170 0.000 1.356 324 A CA -0.770 51.336 52.037 0.116 0.000 0.998 324 A CB 0.426 19.495 19.000 0.115 0.000 1.145 324 A HN 0.320 nan 8.150 nan 0.000 0.545 325 P HA 0.370 nan 4.420 nan 0.000 0.275 325 P C -1.217 176.189 177.300 0.178 0.000 1.228 325 P CA 0.328 63.498 63.100 0.118 0.000 0.786 325 P CB 0.604 32.364 31.700 0.099 0.000 0.927 326 Y N -1.985 118.308 120.300 -0.013 0.000 2.625 326 Y HA 0.614 5.163 4.550 -0.001 0.000 0.338 326 Y C -0.952 174.919 175.900 -0.047 0.000 1.123 326 Y CA -1.222 56.863 58.100 -0.025 0.000 1.046 326 Y CB 0.357 38.835 38.460 0.031 0.000 1.299 326 Y HN 0.135 nan 8.280 nan 0.000 0.464 327 T N 3.931 118.499 114.554 0.023 0.000 2.753 327 T HA 0.426 4.775 4.350 -0.001 0.000 0.297 327 T C -2.761 171.988 174.700 0.081 0.000 0.981 327 T CA -1.261 60.804 62.100 -0.058 0.000 0.956 327 T CB 0.733 69.570 68.868 -0.052 0.000 0.936 327 T HN 0.360 nan 8.240 nan 0.000 0.463 328 P HA 0.262 nan 4.420 nan 0.000 0.267 328 P C -0.526 176.850 177.300 0.127 0.000 1.205 328 P CA -0.330 62.852 63.100 0.135 0.000 0.765 328 P CB 0.534 32.260 31.700 0.043 0.000 0.828 329 V N 0.265 120.280 119.914 0.169 0.000 3.158 329 V HA 0.829 4.948 4.120 -0.001 0.000 0.311 329 V C -0.721 175.507 176.094 0.224 0.000 1.181 329 V CA -1.143 61.271 62.300 0.190 0.000 1.054 329 V CB 2.319 34.267 31.823 0.209 0.000 1.085 329 V HN 0.615 nan 8.190 nan 0.000 0.446 330 E N -0.030 120.315 120.200 0.242 0.000 2.367 330 E HA 0.466 4.815 4.350 -0.001 0.000 0.273 330 E C -1.495 175.168 176.600 0.105 0.000 0.903 330 E CA -0.808 55.696 56.400 0.173 0.000 0.764 330 E CB 2.255 32.001 29.700 0.076 0.000 1.252 330 E HN 0.962 nan 8.360 nan 0.000 0.446 331 H N 1.880 120.821 119.070 -0.215 0.000 2.562 331 H HA 0.421 4.976 4.556 -0.001 0.000 0.314 331 H C -0.697 174.340 175.328 -0.486 0.000 1.079 331 H CA -0.864 54.803 56.048 -0.635 0.000 1.349 331 H CB 1.491 30.869 29.762 -0.640 0.000 1.432 331 H HN 0.435 nan 8.280 nan 0.000 0.479 332 V N 3.384 122.787 119.914 -0.851 0.000 2.540 332 V HA 0.435 4.554 4.120 -0.001 0.000 0.302 332 V C -0.560 174.854 176.094 -1.133 0.000 1.035 332 V CA -0.829 60.930 62.300 -0.901 0.000 0.873 332 V CB 1.151 32.452 31.823 -0.871 0.000 0.992 332 V HN 0.423 nan 8.190 nan 0.000 0.428 333 V N 5.052 124.538 119.914 -0.714 0.000 2.644 333 V HA 0.355 4.474 4.120 -0.001 0.000 0.295 333 V C 0.191 176.124 176.094 -0.268 0.000 1.053 333 V CA -0.434 61.587 62.300 -0.464 0.000 0.987 333 V CB 1.439 33.106 31.823 -0.261 0.000 1.006 333 V HN 0.882 nan 8.190 nan 0.000 0.472 334 F N 4.764 124.616 119.950 -0.165 0.000 2.602 334 F HA 0.156 4.682 4.527 -0.002 0.000 0.385 334 F C 0.515 176.390 175.800 0.126 0.000 1.063 334 F CA 0.300 58.370 58.000 0.116 0.000 1.233 334 F CB 0.132 39.269 39.000 0.228 0.000 1.067 334 F HN 0.576 nan 8.300 nan 0.000 0.564 335 N N 8.246 126.738 118.700 -0.347 0.000 2.518 335 N HA 0.351 5.090 4.740 -0.001 0.000 0.254 335 N C -2.306 172.687 175.510 -0.863 0.000 0.979 335 N CA -2.438 50.330 53.050 -0.471 0.000 0.930 335 N CB 1.790 40.077 38.487 -0.333 0.000 1.152 335 N HN 0.227 nan 8.380 nan 0.000 0.505 336 P HA -0.001 nan 4.420 nan 0.000 0.222 336 P C 0.544 177.590 177.300 -0.423 0.000 1.147 336 P CA 0.937 63.588 63.100 -0.748 0.000 0.790 336 P CB 0.429 31.450 31.700 -1.131 0.000 0.780 337 S N -1.561 113.964 115.700 -0.291 0.000 2.631 337 S HA 0.071 4.540 4.470 -0.001 0.000 0.217 337 S C 0.830 175.323 174.600 -0.178 0.000 0.958 337 S CA 0.107 58.257 58.200 -0.085 0.000 0.920 337 S CB -0.511 62.711 63.200 0.036 0.000 0.776 337 S HN 0.037 nan 8.310 nan 0.000 0.517 338 S N 1.736 117.244 115.700 -0.320 0.000 2.461 338 S HA 0.291 4.760 4.470 -0.001 0.000 0.322 338 S C 1.218 175.686 174.600 -0.219 0.000 1.063 338 S CA -0.862 57.132 58.200 -0.344 0.000 1.120 338 S CB 0.222 62.986 63.200 -0.727 0.000 0.968 338 S HN 0.209 nan 8.310 nan 0.000 0.467 339 R N 2.908 123.335 120.500 -0.122 0.000 2.127 339 R HA -0.095 4.244 4.340 -0.001 0.000 0.238 339 R C 1.312 177.601 176.300 -0.017 0.000 1.134 339 R CA 1.261 57.325 56.100 -0.060 0.000 0.975 339 R CB -0.675 29.608 30.300 -0.029 0.000 0.865 339 R HN 0.661 nan 8.270 nan 0.000 0.447 340 D N 0.243 120.634 120.400 -0.015 0.000 2.084 340 D HA -0.126 4.513 4.640 -0.001 0.000 0.196 340 D C 1.828 178.224 176.300 0.160 0.000 0.985 340 D CA 1.278 55.320 54.000 0.071 0.000 0.826 340 D CB -0.169 40.683 40.800 0.086 0.000 0.978 340 D HN 0.416 nan 8.370 nan 0.000 0.456 341 H N -0.213 118.861 119.070 0.006 0.000 2.319 341 H HA -0.084 4.472 4.556 -0.001 0.000 0.299 341 H C 2.432 177.778 175.328 0.031 0.000 1.092 341 H CA 0.910 56.990 56.048 0.054 0.000 1.302 341 H CB 0.142 29.884 29.762 -0.032 0.000 1.373 341 H HN 0.185 nan 8.280 nan 0.000 0.497 342 I N 0.869 121.495 120.570 0.094 0.000 2.099 342 I HA -0.337 3.832 4.170 -0.001 0.000 0.239 342 I C 2.876 178.982 176.117 -0.018 0.000 1.066 342 I CA 1.365 62.677 61.300 0.019 0.000 1.324 342 I CB -0.444 37.521 38.000 -0.058 0.000 1.037 342 I HN 0.369 nan 8.210 nan 0.000 0.401 343 Q N 2.039 121.866 119.800 0.046 0.000 2.152 343 Q HA -0.296 4.043 4.340 -0.001 0.000 0.206 343 Q C 2.093 178.182 176.000 0.148 0.000 0.985 343 Q CA 2.086 57.992 55.803 0.172 0.000 0.863 343 Q CB -0.272 28.582 28.738 0.194 0.000 0.904 343 Q HN 0.501 nan 8.270 nan 0.000 0.422 344 K N -0.122 120.306 120.400 0.048 0.000 2.026 344 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 344 K C 2.066 178.609 176.600 -0.095 0.000 1.048 344 K CA 1.201 57.460 56.287 -0.048 0.000 0.929 344 K CB 0.065 32.469 32.500 -0.160 0.000 0.713 344 K HN 0.003 nan 8.250 nan 0.000 0.439 345 K N 0.851 121.164 120.400 -0.146 0.000 2.103 345 K HA -0.046 4.273 4.320 -0.001 0.000 0.204 345 K C 2.187 178.746 176.600 -0.067 0.000 1.052 345 K CA 0.866 57.035 56.287 -0.197 0.000 0.945 345 K CB -0.186 31.985 32.500 -0.549 0.000 0.722 345 K HN 0.268 nan 8.250 nan 0.000 0.443 346 L N 0.980 122.178 121.223 -0.042 0.000 2.093 346 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 346 L C 2.507 179.541 176.870 0.273 0.000 1.085 346 L CA 1.165 56.048 54.840 0.072 0.000 0.755 346 L CB -0.384 41.609 42.059 -0.109 0.000 0.904 346 L HN 0.238 nan 8.230 nan 0.000 0.435 347 Q N -0.041 119.940 119.800 0.301 0.000 2.123 347 Q HA -0.193 4.147 4.340 -0.001 0.000 0.199 347 Q C 1.755 177.820 176.000 0.108 0.000 0.966 347 Q CA 1.048 56.982 55.803 0.219 0.000 0.845 347 Q CB -0.011 28.799 28.738 0.119 0.000 0.907 347 Q HN 0.518 nan 8.270 nan 0.000 0.439 348 E N -0.106 120.132 120.200 0.064 0.000 2.515 348 E HA -0.074 4.275 4.350 -0.001 0.000 0.201 348 E C 0.780 177.414 176.600 0.057 0.000 1.071 348 E CA 0.439 56.857 56.400 0.029 0.000 0.880 348 E CB 0.192 29.880 29.700 -0.019 0.000 0.828 348 E HN 0.246 nan 8.360 nan 0.000 0.540 349 A N -0.657 122.222 122.820 0.097 0.000 2.538 349 A HA 0.448 4.767 4.320 -0.001 0.000 0.269 349 A C 1.241 178.889 177.584 0.107 0.000 1.231 349 A CA 0.388 52.485 52.037 0.100 0.000 0.948 349 A CB 0.449 19.526 19.000 0.127 0.000 1.110 349 A HN 0.225 nan 8.150 nan 0.000 0.529 350 G N -1.880 106.988 108.800 0.114 0.000 2.163 350 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.213 350 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.213 350 G C -0.171 174.829 174.900 0.166 0.000 0.991 350 G CA -0.053 45.112 45.100 0.107 0.000 0.653 350 G HN 0.837 nan 8.290 nan 0.000 0.518 351 W N 1.637 122.940 121.300 0.006 0.000 2.287 351 W HA 0.582 5.241 4.660 -0.002 0.000 0.313 351 W C -0.198 176.324 176.519 0.005 0.000 1.267 351 W CA -0.830 56.517 57.345 0.003 0.000 1.201 351 W CB 1.141 30.598 29.460 -0.006 0.000 1.196 351 W HN 0.270 nan 8.180 nan 0.000 0.536 352 V N 9.772 129.390 119.914 -0.493 0.000 2.304 352 V HA 0.237 4.356 4.120 -0.001 0.000 0.278 352 V C -1.798 173.769 176.094 -0.877 0.000 1.018 352 V CA -1.967 60.001 62.300 -0.553 0.000 0.814 352 V CB 0.841 32.538 31.823 -0.211 0.000 1.021 352 V HN 0.471 nan 8.190 nan 0.000 0.440 353 P HA 0.132 nan 4.420 nan 0.000 0.265 353 P C 0.701 177.797 177.300 -0.339 0.000 1.187 353 P CA 0.405 62.881 63.100 -1.041 0.000 0.766 353 P CB 0.626 31.616 31.700 -1.183 0.000 0.820 354 T N 0.466 114.922 114.554 -0.165 0.000 2.971 354 T HA 0.083 4.432 4.350 -0.001 0.000 0.252 354 T C 0.209 174.954 174.700 0.075 0.000 1.022 354 T CA 0.225 62.333 62.100 0.013 0.000 0.980 354 T CB 0.072 68.965 68.868 0.042 0.000 1.044 354 T HN 0.458 nan 8.240 nan 0.000 0.501 355 K N 0.726 121.105 120.400 -0.035 0.000 2.507 355 K HA 0.619 4.938 4.320 -0.001 0.000 0.251 355 K C -1.950 174.580 176.600 -0.117 0.000 0.943 355 K CA -0.901 55.411 56.287 0.043 0.000 0.794 355 K CB 1.825 34.352 32.500 0.045 0.000 1.188 355 K HN -0.056 nan 8.250 nan 0.000 0.428 356 Y N 0.304 120.611 120.300 0.010 0.000 2.621 356 Y HA 0.421 4.970 4.550 -0.002 0.000 0.334 356 Y C 0.877 176.788 175.900 0.020 0.000 1.074 356 Y CA -0.786 57.321 58.100 0.012 0.000 1.149 356 Y CB 1.939 40.394 38.460 -0.010 0.000 1.302 356 Y HN 0.797 nan 8.280 nan 0.000 0.501 357 T N -3.086 111.576 114.554 0.179 0.000 2.910 357 T HA 0.263 4.613 4.350 -0.001 0.000 0.279 357 T C -0.119 174.639 174.700 0.097 0.000 0.989 357 T CA -0.894 61.271 62.100 0.108 0.000 0.968 357 T CB 0.735 69.649 68.868 0.077 0.000 1.135 357 T HN 0.471 nan 8.240 nan 0.000 0.562 358 D N 0.559 120.998 120.400 0.064 0.000 2.977 358 D HA 0.156 4.795 4.640 -0.001 0.000 0.241 358 D C 0.578 176.904 176.300 0.043 0.000 1.206 358 D CA 0.328 54.356 54.000 0.047 0.000 0.902 358 D CB 0.060 40.882 40.800 0.036 0.000 1.131 358 D HN 0.657 nan 8.370 nan 0.000 0.447 359 K N -1.097 119.336 120.400 0.055 0.000 2.612 359 K HA 0.149 4.468 4.320 -0.001 0.000 0.199 359 K C 1.038 177.674 176.600 0.060 0.000 1.520 359 K CA 0.506 56.822 56.287 0.049 0.000 1.039 359 K CB 0.661 33.189 32.500 0.047 0.000 1.286 359 K HN 0.126 nan 8.250 nan 0.000 0.622 360 G N 1.055 109.905 108.800 0.083 0.000 2.336 360 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.233 360 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.233 360 G C 0.266 175.301 174.900 0.225 0.000 1.053 360 G CA 0.111 45.274 45.100 0.105 0.000 0.625 360 G HN 0.546 nan 8.290 nan 0.000 0.511 361 A N 2.784 125.699 122.820 0.158 0.000 2.540 361 A HA 0.543 4.862 4.320 -0.001 0.000 0.239 361 A C -1.231 176.426 177.584 0.120 0.000 1.061 361 A CA 0.213 52.332 52.037 0.137 0.000 0.758 361 A CB 0.084 19.133 19.000 0.082 0.000 0.991 361 A HN 0.415 nan 8.150 nan 0.000 0.502 362 P HA 0.210 nan 4.420 nan 0.000 0.280 362 P C -0.323 176.927 177.300 -0.082 0.000 1.244 362 P CA -0.183 62.727 63.100 -0.317 0.000 0.784 362 P CB 0.947 32.391 31.700 -0.428 0.000 0.913 363 V N 4.137 123.998 119.914 -0.087 0.000 2.599 363 V HA -0.024 4.095 4.120 -0.001 0.000 0.300 363 V C 0.984 177.119 176.094 0.068 0.000 1.034 363 V CA 0.614 62.920 62.300 0.011 0.000 1.115 363 V CB 0.713 32.546 31.823 0.016 0.000 0.934 363 V HN 0.315 nan 8.190 nan 0.000 0.485 364 V N 4.777 124.713 119.914 0.037 0.000 2.468 364 V HA 0.256 4.375 4.120 -0.001 0.000 0.256 364 V C -0.388 175.696 176.094 -0.017 0.000 0.998 364 V CA -0.772 61.528 62.300 -0.001 0.000 1.114 364 V CB 0.649 32.464 31.823 -0.015 0.000 1.378 364 V HN 1.072 nan 8.190 nan 0.000 0.573 365 D N -1.328 119.069 120.400 -0.006 0.000 2.442 365 D HA 0.278 4.917 4.640 -0.001 0.000 0.254 365 D C 0.920 177.213 176.300 -0.012 0.000 1.069 365 D CA -0.731 53.268 54.000 -0.002 0.000 1.017 365 D CB 1.125 41.932 40.800 0.012 0.000 1.172 365 D HN 0.047 nan 8.370 nan 0.000 0.561 366 D N -0.928 119.470 120.400 -0.003 0.000 2.158 366 D HA -0.237 4.402 4.640 -0.001 0.000 0.197 366 D C 1.546 177.843 176.300 -0.004 0.000 0.995 366 D CA 1.445 55.442 54.000 -0.004 0.000 0.846 366 D CB 0.149 40.955 40.800 0.009 0.000 0.941 366 D HN 0.611 nan 8.370 nan 0.000 0.456 367 E N -0.639 119.565 120.200 0.007 0.000 2.077 367 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 367 E C 1.969 178.577 176.600 0.013 0.000 0.989 367 E CA 0.875 57.283 56.400 0.014 0.000 0.800 367 E CB 0.130 29.846 29.700 0.025 0.000 0.746 367 E HN 0.172 nan 8.360 nan 0.000 0.452 368 V N 1.129 121.048 119.914 0.010 0.000 2.323 368 V HA -0.223 3.897 4.120 -0.001 0.000 0.244 368 V C 2.455 178.516 176.094 -0.055 0.000 1.041 368 V CA 1.279 63.590 62.300 0.018 0.000 1.025 368 V CB -0.375 31.478 31.823 0.050 0.000 0.656 368 V HN 0.323 nan 8.190 nan 0.000 0.451 369 L N 0.103 121.264 121.223 -0.104 0.000 2.042 369 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 369 L C 2.648 179.455 176.870 -0.105 0.000 1.076 369 L CA 1.944 56.686 54.840 -0.163 0.000 0.749 369 L CB -0.615 41.371 42.059 -0.122 0.000 0.893 369 L HN 0.389 nan 8.230 nan 0.000 0.432 370 E N 0.623 120.793 120.200 -0.050 0.000 2.209 370 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 370 E C 1.884 178.473 176.600 -0.018 0.000 0.993 370 E CA 1.443 57.828 56.400 -0.025 0.000 0.819 370 E CB -0.264 29.433 29.700 -0.006 0.000 0.745 370 E HN 0.361 nan 8.360 nan 0.000 0.477 371 G N -0.515 108.278 108.800 -0.012 0.000 3.088 371 G HA2 0.111 4.071 3.960 -0.001 0.000 0.217 371 G HA3 0.111 4.071 3.960 -0.001 0.000 0.217 371 G C 0.144 175.058 174.900 0.024 0.000 1.159 371 G CA 0.005 45.116 45.100 0.018 0.000 0.760 371 G HN 0.106 nan 8.290 nan 0.000 0.550 372 V N 1.583 121.462 119.914 -0.057 0.000 2.740 372 V HA 0.328 4.447 4.120 -0.001 0.000 0.303 372 V C 0.002 176.081 176.094 -0.025 0.000 1.054 372 V CA 0.002 62.236 62.300 -0.111 0.000 1.106 372 V CB 1.002 32.548 31.823 -0.461 0.000 0.957 372 V HN 0.193 nan 8.190 nan 0.000 0.486 373 R N 3.168 123.706 120.500 0.062 0.000 2.538 373 R HA 0.672 5.011 4.340 -0.001 0.000 0.292 373 R C -1.112 175.244 176.300 0.093 0.000 1.008 373 R CA -0.412 55.727 56.100 0.065 0.000 0.896 373 R CB 1.885 32.229 30.300 0.073 0.000 1.187 373 R HN 0.635 nan 8.270 nan 0.000 0.440 374 V N -1.304 118.647 119.914 0.062 0.000 3.130 374 V HA 0.513 4.632 4.120 -0.001 0.000 0.310 374 V C 0.368 176.490 176.094 0.046 0.000 1.158 374 V CA -0.815 61.528 62.300 0.072 0.000 1.029 374 V CB 2.470 34.339 31.823 0.077 0.000 1.057 374 V HN 0.437 nan 8.190 nan 0.000 0.436 375 D N 0.210 120.636 120.400 0.043 0.000 2.077 375 D HA -0.065 4.574 4.640 -0.001 0.000 0.196 375 D C 0.812 177.121 176.300 0.014 0.000 0.986 375 D CA 1.776 55.792 54.000 0.026 0.000 0.829 375 D CB -0.164 40.651 40.800 0.024 0.000 0.983 375 D HN 0.870 nan 8.370 nan 0.000 0.453 376 D N 1.034 121.440 120.400 0.010 0.000 2.479 376 D HA -0.059 4.580 4.640 -0.001 0.000 0.257 376 D C -1.623 174.668 176.300 -0.016 0.000 1.230 376 D CA -1.023 52.971 54.000 -0.010 0.000 0.912 376 D CB 1.544 42.330 40.800 -0.022 0.000 1.130 376 D HN -0.060 nan 8.370 nan 0.000 0.515 377 P HA -0.158 nan 4.420 nan 0.000 0.215 377 P C 1.179 178.458 177.300 -0.036 0.000 1.153 377 P CA 1.070 64.158 63.100 -0.020 0.000 0.853 377 P CB 0.211 31.900 31.700 -0.019 0.000 0.788 378 E N 0.421 120.585 120.200 -0.060 0.000 2.077 378 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 378 E C 1.730 178.255 176.600 -0.126 0.000 0.989 378 E CA 1.382 57.725 56.400 -0.095 0.000 0.800 378 E CB -0.257 29.368 29.700 -0.125 0.000 0.746 378 E HN 0.123 nan 8.360 nan 0.000 0.452 379 K N -0.093 120.230 120.400 -0.128 0.000 2.148 379 K HA -0.182 4.137 4.320 -0.001 0.000 0.204 379 K C 2.299 178.912 176.600 0.022 0.000 1.050 379 K CA 1.272 57.497 56.287 -0.102 0.000 0.942 379 K CB -0.072 32.410 32.500 -0.030 0.000 0.724 379 K HN 0.063 nan 8.250 nan 0.000 0.446 380 Q N 1.157 120.960 119.800 0.004 0.000 2.020 380 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 380 Q C 1.889 177.896 176.000 0.011 0.000 0.982 380 Q CA 2.037 57.847 55.803 0.011 0.000 0.838 380 Q CB -0.317 28.423 28.738 0.004 0.000 0.899 380 Q HN 0.276 nan 8.270 nan 0.000 0.423 381 A N 0.253 123.072 122.820 -0.002 0.000 1.972 381 A HA -0.014 4.306 4.320 -0.001 0.000 0.219 381 A C 2.260 179.857 177.584 0.021 0.000 1.169 381 A CA 1.651 53.690 52.037 0.003 0.000 0.635 381 A CB -1.090 17.905 19.000 -0.009 0.000 0.810 381 A HN 0.530 nan 8.150 nan 0.000 0.446 382 A N 0.038 122.872 122.820 0.023 0.000 2.024 382 A HA -0.094 4.225 4.320 -0.001 0.000 0.220 382 A C 2.005 179.670 177.584 0.135 0.000 1.164 382 A CA 1.418 53.504 52.037 0.081 0.000 0.643 382 A CB -0.629 18.418 19.000 0.079 0.000 0.806 382 A HN 0.543 nan 8.150 nan 0.000 0.451 383 I N -0.292 120.332 120.570 0.089 0.000 2.286 383 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 383 I C 1.734 177.876 176.117 0.043 0.000 1.115 383 I CA 1.373 62.699 61.300 0.045 0.000 1.392 383 I CB -0.425 37.566 38.000 -0.016 0.000 1.065 383 I HN 0.263 nan 8.210 nan 0.000 0.418 384 D N 0.877 121.303 120.400 0.043 0.000 2.144 384 D HA -0.097 4.543 4.640 -0.001 0.000 0.200 384 D C 2.401 178.746 176.300 0.075 0.000 0.978 384 D CA 1.126 55.154 54.000 0.045 0.000 0.833 384 D CB -0.094 40.727 40.800 0.035 0.000 0.961 384 D HN 0.319 nan 8.370 nan 0.000 0.470 385 L N 0.589 121.867 121.223 0.092 0.000 2.083 385 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 385 L C 2.568 179.541 176.870 0.172 0.000 1.083 385 L CA 0.703 55.621 54.840 0.129 0.000 0.752 385 L CB -0.323 41.812 42.059 0.127 0.000 0.899 385 L HN 0.015 nan 8.230 nan 0.000 0.433 386 I N -0.108 120.554 120.570 0.152 0.000 2.252 386 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 386 I C 2.566 178.769 176.117 0.144 0.000 1.102 386 I CA 1.371 62.761 61.300 0.149 0.000 1.385 386 I CB -0.262 37.801 38.000 0.105 0.000 1.064 386 I HN 0.250 nan 8.210 nan 0.000 0.414 387 K N 0.464 120.922 120.400 0.097 0.000 2.057 387 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 387 K C 2.037 178.701 176.600 0.108 0.000 1.049 387 K CA 1.422 57.756 56.287 0.079 0.000 0.931 387 K CB -0.219 32.308 32.500 0.045 0.000 0.714 387 K HN 0.347 nan 8.250 nan 0.000 0.440 388 E N 0.293 120.567 120.200 0.123 0.000 2.077 388 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 388 E C 1.946 178.638 176.600 0.154 0.000 0.989 388 E CA 0.961 57.437 56.400 0.127 0.000 0.800 388 E CB -0.098 29.675 29.700 0.122 0.000 0.746 388 E HN 0.292 nan 8.360 nan 0.000 0.452 389 Y N 1.194 121.534 120.300 0.067 0.000 2.145 389 Y HA -0.217 4.332 4.550 -0.002 0.000 0.286 389 Y C 1.998 177.921 175.900 0.038 0.000 1.145 389 Y CA 1.742 59.878 58.100 0.059 0.000 1.148 389 Y CB -0.284 38.218 38.460 0.070 0.000 0.981 389 Y HN 0.022 nan 8.280 nan 0.000 0.507 390 L N -0.349 121.047 121.223 0.289 0.000 2.042 390 L HA -0.296 4.043 4.340 -0.001 0.000 0.210 390 L C 2.742 179.643 176.870 0.053 0.000 1.076 390 L CA 1.742 56.682 54.840 0.166 0.000 0.749 390 L CB -0.611 41.520 42.059 0.121 0.000 0.893 390 L HN 0.395 nan 8.230 nan 0.000 0.432 391 M N -0.043 119.593 119.600 0.059 0.000 2.099 391 M HA -0.196 4.283 4.480 -0.001 0.000 0.262 391 M C 2.362 178.675 176.300 0.021 0.000 1.067 391 M CA 1.931 57.262 55.300 0.051 0.000 1.124 391 M CB -0.228 32.422 32.600 0.084 0.000 1.353 391 M HN 0.134 nan 8.290 nan 0.000 0.410 392 I N 0.810 121.374 120.570 -0.011 0.000 2.208 392 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 392 I C 2.417 178.431 176.117 -0.170 0.000 1.097 392 I CA 1.510 62.754 61.300 -0.094 0.000 1.363 392 I CB -1.673 36.235 38.000 -0.155 0.000 1.051 392 I HN 0.404 nan 8.210 nan 0.000 0.413 393 Q N 1.384 121.054 119.800 -0.217 0.000 2.167 393 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 393 Q C 2.053 177.981 176.000 -0.120 0.000 0.970 393 Q CA 1.623 57.310 55.803 -0.192 0.000 0.855 393 Q CB -0.178 28.457 28.738 -0.172 0.000 0.911 393 Q HN 0.181 nan 8.270 nan 0.000 0.438 394 K N -0.259 120.092 120.400 -0.081 0.000 2.057 394 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 394 K C 1.789 178.324 176.600 -0.108 0.000 1.049 394 K CA 1.271 57.517 56.287 -0.069 0.000 0.931 394 K CB 0.046 32.531 32.500 -0.025 0.000 0.714 394 K HN 0.086 nan 8.250 nan 0.000 0.440 395 R N -0.007 120.430 120.500 -0.105 0.000 2.093 395 R HA 0.078 4.417 4.340 -0.001 0.000 0.224 395 R C 2.395 178.565 176.300 -0.218 0.000 1.101 395 R CA 1.099 57.114 56.100 -0.142 0.000 0.979 395 R CB -0.562 29.671 30.300 -0.112 0.000 0.877 395 R HN 0.307 nan 8.270 nan 0.000 0.441 396 I N 0.177 120.634 120.570 -0.188 0.000 2.315 396 I HA -0.144 4.025 4.170 -0.001 0.000 0.248 396 I C 2.414 178.373 176.117 -0.262 0.000 1.117 396 I CA 1.422 62.606 61.300 -0.195 0.000 1.404 396 I CB -0.622 37.322 38.000 -0.094 0.000 1.071 396 I HN 0.219 nan 8.210 nan 0.000 0.419 397 G N -0.058 108.613 108.800 -0.215 0.000 2.421 397 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.216 397 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.216 397 G C 1.563 176.289 174.900 -0.291 0.000 1.171 397 G CA 0.657 45.633 45.100 -0.207 0.000 0.775 397 G HN 0.389 nan 8.290 nan 0.000 0.543 398 Q N 0.613 120.190 119.800 -0.371 0.000 2.123 398 Q HA -0.090 4.250 4.340 -0.001 0.000 0.199 398 Q C 2.717 178.085 176.000 -1.054 0.000 0.966 398 Q CA 1.903 57.353 55.803 -0.588 0.000 0.845 398 Q CB -0.113 28.302 28.738 -0.539 0.000 0.907 398 Q HN 0.591 nan 8.270 nan 0.000 0.439 399 S N -1.354 113.795 115.700 -0.920 0.000 2.425 399 S HA 0.196 4.665 4.470 -0.001 0.000 0.225 399 S C 1.465 175.847 174.600 -0.363 0.000 1.024 399 S CA 0.491 58.220 58.200 -0.784 0.000 0.951 399 S CB 0.613 63.613 63.200 -0.335 0.000 0.796 399 S HN 0.419 nan 8.310 nan 0.000 0.498 400 A N 0.801 123.359 122.820 -0.437 0.000 1.857 400 A HA 0.422 4.741 4.320 -0.001 0.000 0.198 400 A C 1.683 179.015 177.584 -0.420 0.000 1.775 400 A CA 0.189 51.932 52.037 -0.490 0.000 1.281 400 A CB -0.009 18.378 19.000 -1.022 0.000 1.355 400 A HN 0.348 nan 8.150 nan 0.000 0.417 401 E N 0.575 120.550 120.200 -0.374 0.000 2.276 401 E HA 0.160 4.510 4.350 -0.001 0.000 0.193 401 E C 1.227 177.745 176.600 -0.136 0.000 0.983 401 E CA 0.196 56.466 56.400 -0.217 0.000 0.861 401 E CB 0.056 29.666 29.700 -0.150 0.000 0.817 401 E HN 0.487 nan 8.360 nan 0.000 0.485 402 G N 1.401 110.114 108.800 -0.145 0.000 2.664 402 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.242 402 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.242 402 G C 0.238 175.111 174.900 -0.045 0.000 1.225 402 G CA -0.348 44.700 45.100 -0.087 0.000 0.849 402 G HN -0.031 nan 8.290 nan 0.000 0.581 403 D N 0.210 120.607 120.400 -0.005 0.000 2.178 403 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 403 D C 1.654 178.015 176.300 0.101 0.000 0.980 403 D CA 1.010 55.024 54.000 0.023 0.000 0.842 403 D CB 0.260 41.084 40.800 0.040 0.000 0.948 403 D HN 0.283 nan 8.370 nan 0.000 0.472 404 K N 0.621 121.115 120.400 0.158 0.000 2.437 404 K HA 0.311 4.630 4.320 -0.001 0.000 0.205 404 K C 0.272 177.026 176.600 0.257 0.000 1.026 404 K CA -0.248 56.247 56.287 0.348 0.000 1.153 404 K CB 0.693 33.337 32.500 0.240 0.000 0.863 404 K HN -0.035 nan 8.250 nan 0.000 0.502 405 A N 0.760 123.631 122.820 0.086 0.000 2.520 405 A HA 0.009 4.328 4.320 -0.001 0.000 0.235 405 A C 0.789 178.455 177.584 0.138 0.000 1.065 405 A CA -0.221 51.776 52.037 -0.066 0.000 0.764 405 A CB 0.042 18.948 19.000 -0.156 0.000 1.002 405 A HN 0.293 nan 8.150 nan 0.000 0.502 406 W N 1.292 122.630 121.300 0.063 0.000 2.335 406 W HA -0.171 4.488 4.660 -0.002 0.000 0.311 406 W C 1.770 178.216 176.519 -0.121 0.000 1.213 406 W CA 0.984 58.283 57.345 -0.076 0.000 1.274 406 W CB -1.324 28.070 29.460 -0.110 0.000 1.148 406 W HN 0.646 nan 8.180 nan 0.000 0.498 407 L N -0.005 121.343 121.223 0.208 0.000 2.265 407 L HA -0.149 4.190 4.340 -0.001 0.000 0.215 407 L C 2.441 179.349 176.870 0.063 0.000 1.117 407 L CA 1.186 56.119 54.840 0.154 0.000 0.782 407 L CB -0.613 41.506 42.059 0.100 0.000 0.914 407 L HN -0.030 nan 8.230 nan 0.000 0.441 408 R N -1.914 118.603 120.500 0.028 0.000 2.246 408 R HA -0.026 4.314 4.340 -0.001 0.000 0.199 408 R C 1.427 177.625 176.300 -0.170 0.000 0.984 408 R CA 0.580 56.630 56.100 -0.083 0.000 1.015 408 R CB 0.141 30.356 30.300 -0.142 0.000 0.930 408 R HN 0.265 nan 8.270 nan 0.000 0.475 409 Y N 0.165 120.479 120.300 0.022 0.000 2.458 409 Y HA 0.117 4.666 4.550 -0.001 0.000 0.254 409 Y C 0.581 176.489 175.900 0.014 0.000 1.120 409 Y CA -0.405 57.716 58.100 0.034 0.000 1.282 409 Y CB 0.754 39.261 38.460 0.078 0.000 1.109 409 Y HN -0.284 nan 8.280 nan 0.000 0.526 410 V N 1.548 121.510 119.914 0.081 0.000 2.617 410 V HA 0.166 4.285 4.120 -0.001 0.000 0.304 410 V C 0.690 176.849 176.094 0.109 0.000 1.040 410 V CA -0.378 61.959 62.300 0.061 0.000 1.149 410 V CB -0.232 31.650 31.823 0.098 0.000 0.914 410 V HN 0.240 nan 8.190 nan 0.000 0.487 411 A N 4.011 126.923 122.820 0.153 0.000 2.239 411 A HA 0.508 4.828 4.320 -0.001 0.000 0.303 411 A C 1.193 178.834 177.584 0.094 0.000 1.114 411 A CA -0.495 51.624 52.037 0.137 0.000 0.871 411 A CB 0.284 19.411 19.000 0.212 0.000 1.201 411 A HN 0.799 nan 8.150 nan 0.000 0.506 412 E N 0.575 120.812 120.200 0.061 0.000 2.160 412 E HA -0.189 4.160 4.350 -0.001 0.000 0.195 412 E C 0.788 177.412 176.600 0.040 0.000 0.991 412 E CA 1.618 58.041 56.400 0.038 0.000 0.810 412 E CB -0.344 29.366 29.700 0.017 0.000 0.742 412 E HN 0.790 nan 8.360 nan 0.000 0.466 413 D N -0.411 120.026 120.400 0.061 0.000 2.338 413 D HA 0.048 4.687 4.640 -0.001 0.000 0.239 413 D C 1.117 177.434 176.300 0.029 0.000 1.095 413 D CA 0.670 54.696 54.000 0.042 0.000 0.888 413 D CB -0.400 40.440 40.800 0.068 0.000 0.899 413 D HN 0.156 nan 8.370 nan 0.000 0.525 414 G N -0.122 108.711 108.800 0.055 0.000 2.179 414 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.257 414 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.257 414 G C -0.040 174.906 174.900 0.077 0.000 1.010 414 G CA 0.415 45.550 45.100 0.058 0.000 0.736 414 G HN 0.536 nan 8.290 nan 0.000 0.513 415 K N -0.943 119.508 120.400 0.084 0.000 2.435 415 K HA 0.709 5.028 4.320 -0.001 0.000 0.251 415 K C -0.279 176.333 176.600 0.019 0.000 0.954 415 K CA -1.069 55.237 56.287 0.030 0.000 0.820 415 K CB 2.152 34.588 32.500 -0.107 0.000 1.292 415 K HN 0.095 nan 8.250 nan 0.000 0.436 416 I N 2.820 123.380 120.570 -0.018 0.000 2.315 416 I HA 0.144 4.313 4.170 -0.001 0.000 0.291 416 I C 0.000 176.118 176.117 0.002 0.000 1.006 416 I CA -0.513 60.801 61.300 0.024 0.000 1.265 416 I CB 0.646 38.621 38.000 -0.043 0.000 1.387 416 I HN 0.461 nan 8.210 nan 0.000 0.475 417 H N 6.098 125.265 119.070 0.161 0.000 2.588 417 H HA 0.186 4.741 4.556 -0.001 0.000 0.223 417 H C 0.689 176.096 175.328 0.132 0.000 1.804 417 H CA -0.351 55.789 56.048 0.153 0.000 1.269 417 H CB 0.340 30.181 29.762 0.131 0.000 1.670 417 H HN 0.778 nan 8.280 nan 0.000 0.539 418 G N 1.155 110.062 108.800 0.178 0.000 2.391 418 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.234 418 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.234 418 G C 0.373 175.357 174.900 0.141 0.000 1.284 418 G CA -0.196 44.977 45.100 0.123 0.000 0.873 418 G HN 0.412 nan 8.290 nan 0.000 0.549 419 S N -0.392 115.377 115.700 0.115 0.000 2.610 419 S HA 0.579 5.048 4.470 -0.001 0.000 0.273 419 S C -0.243 174.379 174.600 0.037 0.000 1.274 419 S CA -0.589 57.679 58.200 0.114 0.000 1.023 419 S CB 1.078 64.404 63.200 0.210 0.000 0.962 419 S HN 0.584 nan 8.310 nan 0.000 0.523 420 V N 4.822 124.752 119.914 0.027 0.000 2.612 420 V HA 0.372 4.491 4.120 -0.001 0.000 0.301 420 V C -0.563 175.502 176.094 -0.048 0.000 1.059 420 V CA -1.069 61.201 62.300 -0.050 0.000 0.886 420 V CB 1.878 33.718 31.823 0.028 0.000 1.007 420 V HN 0.899 nan 8.190 nan 0.000 0.426 421 N N 6.467 125.100 118.700 -0.111 0.000 2.469 421 N HA 0.322 5.061 4.740 -0.001 0.000 0.239 421 N C -1.807 173.681 175.510 -0.036 0.000 1.053 421 N CA -2.039 50.981 53.050 -0.051 0.000 0.937 421 N CB 2.088 40.543 38.487 -0.053 0.000 1.163 421 N HN 0.240 nan 8.380 nan 0.000 0.509 422 P HA -0.092 nan 4.420 nan 0.000 0.218 422 P C 0.076 177.463 177.300 0.144 0.000 1.146 422 P CA 1.293 64.478 63.100 0.142 0.000 0.820 422 P CB 0.334 32.107 31.700 0.121 0.000 0.778 423 N N -2.249 116.497 118.700 0.076 0.000 2.451 423 N HA 0.167 4.906 4.740 -0.001 0.000 0.271 423 N C 1.233 176.771 175.510 0.046 0.000 1.410 423 N CA -0.054 53.044 53.050 0.078 0.000 0.884 423 N CB -0.479 38.051 38.487 0.071 0.000 1.332 423 N HN -0.154 nan 8.380 nan 0.000 0.498 424 G N -0.675 108.135 108.800 0.017 0.000 2.509 424 G HA2 0.111 4.071 3.960 -0.001 0.000 0.218 424 G HA3 0.111 4.071 3.960 -0.001 0.000 0.218 424 G C 0.537 175.449 174.900 0.020 0.000 1.124 424 G CA 0.628 45.732 45.100 0.007 0.000 0.776 424 G HN 0.441 nan 8.290 nan 0.000 0.547 425 A N -0.182 122.656 122.820 0.031 0.000 2.312 425 A HA 0.569 4.888 4.320 -0.001 0.000 0.328 425 A C 1.560 179.170 177.584 0.044 0.000 1.158 425 A CA 0.067 52.124 52.037 0.034 0.000 0.821 425 A CB 1.506 20.526 19.000 0.033 0.000 1.170 425 A HN 0.640 nan 8.150 nan 0.000 0.490 426 V N 0.112 120.052 119.914 0.042 0.000 2.469 426 V HA -0.214 3.905 4.120 -0.001 0.000 0.251 426 V C 1.981 178.111 176.094 0.059 0.000 1.064 426 V CA 2.672 65.007 62.300 0.060 0.000 1.066 426 V CB -2.116 29.754 31.823 0.078 0.000 0.667 426 V HN 1.045 nan 8.190 nan 0.000 0.461 427 T N -2.556 112.021 114.554 0.038 0.000 3.072 427 T HA 0.345 4.694 4.350 -0.001 0.000 0.266 427 T C 1.680 176.424 174.700 0.074 0.000 1.127 427 T CA 1.136 63.259 62.100 0.038 0.000 1.107 427 T CB 0.125 68.994 68.868 0.003 0.000 0.910 427 T HN 1.593 nan 8.240 nan 0.000 0.513 428 G N 0.982 109.835 108.800 0.088 0.000 2.179 428 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.220 428 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.220 428 G C 0.240 175.234 174.900 0.157 0.000 0.990 428 G CA -0.273 44.902 45.100 0.125 0.000 0.646 428 G HN 0.624 nan 8.290 nan 0.000 0.517 429 R N 0.523 121.097 120.500 0.123 0.000 2.726 429 R HA 0.642 4.981 4.340 -0.001 0.000 0.272 429 R C 0.840 177.194 176.300 0.090 0.000 1.097 429 R CA 0.407 56.587 56.100 0.133 0.000 1.198 429 R CB 0.581 30.947 30.300 0.109 0.000 1.114 429 R HN 0.481 nan 8.270 nan 0.000 0.550 430 A N 0.395 123.213 122.820 -0.004 0.000 2.256 430 A HA 0.491 4.810 4.320 -0.001 0.000 0.318 430 A C -0.208 177.244 177.584 -0.220 0.000 1.103 430 A CA -0.476 51.484 52.037 -0.128 0.000 0.860 430 A CB 1.065 19.918 19.000 -0.244 0.000 1.182 430 A HN 0.740 nan 8.150 nan 0.000 0.501 431 T N -1.530 112.826 114.554 -0.330 0.000 2.924 431 T HA 0.742 5.091 4.350 -0.001 0.000 0.291 431 T C -0.903 173.478 174.700 -0.532 0.000 1.045 431 T CA -0.596 61.359 62.100 -0.242 0.000 1.015 431 T CB 1.148 69.960 68.868 -0.093 0.000 1.103 431 T HN 0.679 nan 8.240 nan 0.000 0.496 432 H N -0.350 118.649 119.070 -0.119 0.000 2.679 432 H HA 0.855 5.410 4.556 -0.002 0.000 0.360 432 H C -0.303 174.890 175.328 -0.225 0.000 1.105 432 H CA -0.538 55.424 56.048 -0.143 0.000 1.196 432 H CB 1.854 31.543 29.762 -0.123 0.000 1.636 432 H HN 1.143 nan 8.280 nan 0.000 0.531 433 A N 1.122 123.806 122.820 -0.227 0.000 2.601 433 A HA 0.575 4.894 4.320 -0.001 0.000 0.291 433 A C -1.581 175.686 177.584 -0.530 0.000 1.075 433 A CA -0.961 50.752 52.037 -0.540 0.000 0.671 433 A CB 0.525 18.881 19.000 -1.073 0.000 1.277 433 A HN 0.625 nan 8.150 nan 0.000 0.417 434 F N -2.223 117.628 119.950 -0.165 0.000 2.975 434 F HA -0.122 4.405 4.527 -0.001 0.000 0.319 434 F C -2.284 172.984 175.800 -0.887 0.000 0.976 434 F CA 0.415 58.123 58.000 -0.487 0.000 1.072 434 F CB -2.566 36.304 39.000 -0.217 0.000 1.165 434 F HN 0.438 nan 8.300 nan 0.000 0.758 435 P HA 0.224 nan 4.420 nan 0.000 0.287 435 P C -0.191 177.069 177.300 -0.066 0.000 1.296 435 P CA -0.498 62.495 63.100 -0.178 0.000 0.811 435 P CB 1.027 32.767 31.700 0.067 0.000 1.211 436 N N 0.718 119.408 118.700 -0.017 0.000 2.448 436 N HA 0.077 4.816 4.740 -0.001 0.000 0.250 436 N C 0.905 176.413 175.510 -0.002 0.000 1.136 436 N CA 0.004 53.044 53.050 -0.016 0.000 0.953 436 N CB -0.773 37.700 38.487 -0.024 0.000 1.251 436 N HN 0.285 nan 8.380 nan 0.000 0.502 437 L N 1.631 122.846 121.223 -0.013 0.000 2.549 437 L HA 0.005 4.344 4.340 -0.001 0.000 0.229 437 L C 1.512 178.312 176.870 -0.116 0.000 1.158 437 L CA 0.498 55.301 54.840 -0.061 0.000 0.842 437 L CB -0.239 41.855 42.059 0.058 0.000 0.952 437 L HN 0.508 nan 8.230 nan 0.000 0.452 438 A N 0.157 122.835 122.820 -0.237 0.000 2.415 438 A HA 0.055 4.374 4.320 -0.001 0.000 0.248 438 A C 1.258 178.736 177.584 -0.178 0.000 1.299 438 A CA -0.123 51.711 52.037 -0.339 0.000 0.899 438 A CB -0.197 18.340 19.000 -0.773 0.000 0.997 438 A HN 0.586 nan 8.150 nan 0.000 0.506 439 Q N -0.135 119.583 119.800 -0.137 0.000 2.063 439 Q HA 0.313 4.652 4.340 -0.001 0.000 0.245 439 Q C -0.648 175.312 176.000 -0.066 0.000 0.828 439 Q CA -0.510 55.246 55.803 -0.078 0.000 1.089 439 Q CB 0.131 28.855 28.738 -0.023 0.000 1.232 439 Q HN 0.264 nan 8.270 nan 0.000 0.445 440 I N 2.888 123.337 120.570 -0.203 0.000 2.588 440 I HA 0.226 4.395 4.170 -0.001 0.000 0.283 440 I C -1.905 174.121 176.117 -0.152 0.000 1.119 440 I CA -2.025 59.159 61.300 -0.194 0.000 1.419 440 I CB -0.156 37.430 38.000 -0.690 0.000 1.394 440 I HN 0.097 nan 8.210 nan 0.000 0.562 441 P HA 0.020 nan 4.420 nan 0.000 0.265 441 P C 0.278 177.544 177.300 -0.057 0.000 1.187 441 P CA 0.026 63.135 63.100 0.016 0.000 0.766 441 P CB 0.416 32.185 31.700 0.115 0.000 0.820 442 G N 1.319 110.095 108.800 -0.041 0.000 2.483 442 G HA2 0.232 4.191 3.960 -0.001 0.000 0.248 442 G HA3 0.232 4.191 3.960 -0.001 0.000 0.248 442 G C 1.300 176.189 174.900 -0.019 0.000 1.248 442 G CA -0.474 44.599 45.100 -0.045 0.000 0.838 442 G HN 0.450 nan 8.290 nan 0.000 0.566 443 V N 0.750 120.653 119.914 -0.018 0.000 2.660 443 V HA -0.170 3.949 4.120 -0.001 0.000 0.257 443 V C 2.159 178.259 176.094 0.009 0.000 1.088 443 V CA 1.699 64.005 62.300 0.009 0.000 1.106 443 V CB -0.643 31.195 31.823 0.024 0.000 0.686 443 V HN 0.682 nan 8.190 nan 0.000 0.481 444 R N 1.491 121.990 120.500 -0.001 0.000 2.310 444 R HA 0.219 4.558 4.340 -0.001 0.000 0.202 444 R C 1.037 177.334 176.300 -0.006 0.000 0.933 444 R CA 0.577 56.674 56.100 -0.005 0.000 1.054 444 R CB 0.090 30.385 30.300 -0.008 0.000 0.985 444 R HN 0.770 nan 8.270 nan 0.000 0.489 445 S N 0.569 116.271 115.700 0.003 0.000 2.654 445 S HA 0.427 4.896 4.470 -0.001 0.000 0.283 445 S C -2.606 171.993 174.600 -0.001 0.000 1.180 445 S CA -1.841 56.363 58.200 0.007 0.000 1.021 445 S CB 1.770 64.985 63.200 0.025 0.000 1.018 445 S HN -0.217 nan 8.310 nan 0.000 0.532 446 P HA 0.087 nan 4.420 nan 0.000 0.260 446 P C -0.647 176.651 177.300 -0.004 0.000 1.172 446 P CA 0.673 63.693 63.100 -0.133 0.000 0.760 446 P CB -0.401 31.232 31.700 -0.112 0.000 0.773 447 Y N 0.950 121.276 120.300 0.044 0.000 4.881 447 Y HA -0.250 4.300 4.550 -0.001 0.000 0.241 447 Y C 1.917 177.864 175.900 0.078 0.000 0.985 447 Y CA 1.280 59.417 58.100 0.061 0.000 1.976 447 Y CB -2.532 35.968 38.460 0.066 0.000 1.528 447 Y HN 0.531 nan 8.280 nan 0.000 0.581 448 G N -0.353 108.538 108.800 0.151 0.000 2.422 448 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 448 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 448 G C 1.327 176.288 174.900 0.102 0.000 1.140 448 G CA 1.220 46.389 45.100 0.115 0.000 0.775 448 G HN 0.455 nan 8.290 nan 0.000 0.545 449 E N 0.544 120.800 120.200 0.093 0.000 2.031 449 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 449 E C 2.689 179.360 176.600 0.117 0.000 0.994 449 E CA 1.348 57.802 56.400 0.090 0.000 0.800 449 E CB -0.160 29.583 29.700 0.071 0.000 0.752 449 E HN 0.479 nan 8.360 nan 0.000 0.447 450 Q N -0.747 119.139 119.800 0.144 0.000 2.084 450 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 450 Q C 2.443 178.535 176.000 0.153 0.000 0.978 450 Q CA 1.758 57.647 55.803 0.144 0.000 0.844 450 Q CB -0.467 28.374 28.738 0.172 0.000 0.898 450 Q HN 0.349 nan 8.270 nan 0.000 0.426 451 C N 0.070 119.499 119.300 0.215 0.000 2.413 451 C HA -0.115 4.344 4.460 -0.001 0.000 0.277 451 C C 2.592 177.687 174.990 0.175 0.000 1.228 451 C CA 0.809 59.990 59.018 0.271 0.000 1.731 451 C CB -0.733 27.241 27.740 0.390 0.000 2.042 451 C HN 0.432 nan 8.230 nan 0.000 0.468 452 R N 1.233 121.803 120.500 0.116 0.000 2.083 452 R HA -0.078 4.261 4.340 -0.001 0.000 0.237 452 R C 2.224 178.666 176.300 0.237 0.000 1.137 452 R CA 1.892 58.046 56.100 0.090 0.000 0.951 452 R CB -0.826 29.486 30.300 0.020 0.000 0.851 452 R HN 0.534 nan 8.270 nan 0.000 0.434 453 A N -0.237 122.696 122.820 0.189 0.000 2.070 453 A HA -0.032 4.287 4.320 -0.001 0.000 0.220 453 A C 2.150 179.870 177.584 0.227 0.000 1.159 453 A CA 1.562 53.725 52.037 0.209 0.000 0.656 453 A CB -0.685 18.406 19.000 0.152 0.000 0.800 453 A HN 0.407 nan 8.150 nan 0.000 0.453 454 A N -1.418 121.425 122.820 0.039 0.000 2.119 454 A HA 0.262 4.581 4.320 -0.001 0.000 0.217 454 A C 0.331 177.683 177.584 -0.387 0.000 1.153 454 A CA 0.260 52.082 52.037 -0.359 0.000 0.692 454 A CB -0.385 18.223 19.000 -0.654 0.000 0.799 454 A HN 0.359 nan 8.150 nan 0.000 0.458 455 F N 0.128 120.086 119.950 0.014 0.000 2.313 455 F HA 0.571 5.097 4.527 -0.001 0.000 0.369 455 F C 0.751 176.729 175.800 0.297 0.000 1.109 455 F CA 0.007 57.976 58.000 -0.053 0.000 1.132 455 F CB 1.365 40.076 39.000 -0.482 0.000 1.291 455 F HN 0.130 nan 8.300 nan 0.000 0.496 456 G N 0.706 109.881 108.800 0.625 0.000 2.732 456 G HA2 0.478 4.438 3.960 -0.001 0.000 0.296 456 G HA3 0.478 4.438 3.960 -0.001 0.000 0.296 456 G C 0.091 175.164 174.900 0.289 0.000 1.448 456 G CA -0.254 45.109 45.100 0.438 0.000 0.911 456 G HN 0.636 nan 8.290 nan 0.000 0.528 457 A N 0.577 123.545 122.820 0.247 0.000 1.978 457 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 457 A C 2.007 179.696 177.584 0.174 0.000 1.170 457 A CA 2.240 54.434 52.037 0.263 0.000 0.636 457 A CB -0.525 18.669 19.000 0.324 0.000 0.810 457 A HN 0.998 nan 8.150 nan 0.000 0.448 458 E N -0.744 119.454 120.200 -0.004 0.000 2.209 458 E HA -0.262 4.087 4.350 -0.001 0.000 0.196 458 E C 1.169 177.684 176.600 -0.141 0.000 0.993 458 E CA 1.460 57.799 56.400 -0.101 0.000 0.819 458 E CB -0.583 28.981 29.700 -0.227 0.000 0.745 458 E HN 0.745 nan 8.360 nan 0.000 0.477 459 H N -0.668 118.451 119.070 0.083 0.000 2.547 459 H HA 0.096 4.651 4.556 -0.001 0.000 0.266 459 H C -0.180 175.139 175.328 -0.016 0.000 0.988 459 H CA 0.668 56.725 56.048 0.015 0.000 1.147 459 H CB -0.343 29.414 29.762 -0.008 0.000 1.365 459 H HN 0.329 nan 8.280 nan 0.000 0.589 460 H N 0.536 119.569 119.070 -0.062 0.000 2.481 460 H HA 0.393 4.948 4.556 -0.001 0.000 0.333 460 H C -0.779 174.436 175.328 -0.188 0.000 1.066 460 H CA -0.576 55.307 56.048 -0.274 0.000 1.209 460 H CB 0.417 29.801 29.762 -0.631 0.000 1.445 460 H HN -0.034 nan 8.280 nan 0.000 0.488 461 L N 4.270 125.037 121.223 -0.759 0.000 2.295 461 L HA 0.235 4.575 4.340 -0.001 0.000 0.285 461 L C 0.224 176.696 176.870 -0.663 0.000 1.035 461 L CA -0.961 53.600 54.840 -0.466 0.000 0.806 461 L CB 1.267 43.179 42.059 -0.246 0.000 1.214 461 L HN 0.733 nan 8.230 nan 0.000 0.426 462 D N 1.859 122.153 120.400 -0.177 0.000 2.525 462 D HA 0.018 4.657 4.640 -0.001 0.000 0.235 462 D C 1.327 177.616 176.300 -0.018 0.000 1.137 462 D CA 0.719 54.764 54.000 0.076 0.000 0.868 462 D CB 1.472 42.506 40.800 0.391 0.000 1.180 462 D HN 0.667 nan 8.370 nan 0.000 0.465 463 G N 3.382 112.205 108.800 0.037 0.000 2.470 463 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.220 463 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.220 463 G C 1.143 176.070 174.900 0.046 0.000 1.121 463 G CA 0.515 45.631 45.100 0.025 0.000 0.766 463 G HN 0.514 nan 8.290 nan 0.000 0.553 464 I N 0.805 121.425 120.570 0.083 0.000 2.900 464 I HA 0.017 4.186 4.170 -0.001 0.000 0.251 464 I C 2.911 179.058 176.117 0.050 0.000 1.102 464 I CA 1.808 63.147 61.300 0.065 0.000 1.457 464 I CB -1.255 36.793 38.000 0.081 0.000 1.285 464 I HN 0.257 nan 8.210 nan 0.000 0.459 465 T N -1.338 113.256 114.554 0.066 0.000 3.067 465 T HA 0.151 4.501 4.350 -0.001 0.000 0.261 465 T C 1.659 176.378 174.700 0.032 0.000 1.110 465 T CA 0.889 63.017 62.100 0.048 0.000 1.113 465 T CB -0.032 68.870 68.868 0.056 0.000 0.917 465 T HN 0.535 nan 8.240 nan 0.000 0.499 466 G N 1.532 110.346 108.800 0.023 0.000 2.189 466 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.267 466 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.267 466 G C 0.070 174.970 174.900 0.001 0.000 0.975 466 G CA 0.253 45.345 45.100 -0.012 0.000 0.644 466 G HN 0.617 nan 8.290 nan 0.000 0.537 467 K N 0.897 121.324 120.400 0.046 0.000 2.185 467 K HA 0.470 4.789 4.320 -0.001 0.000 0.271 467 K C -2.307 174.363 176.600 0.117 0.000 1.013 467 K CA -2.385 53.940 56.287 0.062 0.000 0.943 467 K CB 0.541 33.078 32.500 0.061 0.000 0.998 467 K HN 0.082 nan 8.250 nan 0.000 0.468 468 P HA 0.033 nan 4.420 nan 0.000 0.269 468 P C -0.540 176.935 177.300 0.293 0.000 1.209 468 P CA -0.114 63.069 63.100 0.139 0.000 0.776 468 P CB 0.368 32.111 31.700 0.071 0.000 0.876 469 W N 1.612 122.944 121.300 0.053 0.000 2.213 469 W HA 0.408 5.067 4.660 -0.001 0.000 0.356 469 W C -0.398 176.169 176.519 0.081 0.000 1.273 469 W CA -0.103 57.315 57.345 0.121 0.000 1.391 469 W CB 0.362 29.986 29.460 0.274 0.000 1.187 469 W HN 0.025 nan 8.180 nan 0.000 0.649 470 V N 0.960 120.998 119.914 0.207 0.000 2.769 470 V HA 0.372 4.491 4.120 -0.001 0.000 0.312 470 V C -0.493 175.683 176.094 0.135 0.000 1.058 470 V CA -1.165 61.202 62.300 0.113 0.000 0.952 470 V CB 1.537 33.370 31.823 0.017 0.000 1.019 470 V HN 0.417 nan 8.190 nan 0.000 0.445 471 Q N 1.399 121.257 119.800 0.097 0.000 2.312 471 Q HA 0.755 5.094 4.340 -0.001 0.000 0.263 471 Q C -0.854 175.164 176.000 0.031 0.000 0.995 471 Q CA -0.625 55.222 55.803 0.074 0.000 0.853 471 Q CB 1.902 30.696 28.738 0.094 0.000 1.300 471 Q HN 0.956 nan 8.270 nan 0.000 0.448 472 A N 2.366 125.177 122.820 -0.014 0.000 2.319 472 A HA 0.775 5.094 4.320 -0.001 0.000 0.310 472 A C -0.468 177.089 177.584 -0.045 0.000 1.152 472 A CA -0.295 51.724 52.037 -0.029 0.000 0.783 472 A CB 1.301 20.260 19.000 -0.069 0.000 1.184 472 A HN 0.720 nan 8.150 nan 0.000 0.474 473 G N 1.380 110.193 108.800 0.021 0.000 2.478 473 G HA2 0.596 4.555 3.960 -0.001 0.000 0.317 473 G HA3 0.596 4.555 3.960 -0.001 0.000 0.317 473 G C -1.093 173.877 174.900 0.117 0.000 1.259 473 G CA -0.321 44.813 45.100 0.057 0.000 0.933 473 G HN 0.518 nan 8.290 nan 0.000 0.478 474 I N 1.650 122.309 120.570 0.149 0.000 2.545 474 I HA 0.447 4.616 4.170 -0.001 0.000 0.292 474 I C -1.060 175.276 176.117 0.365 0.000 1.040 474 I CA -0.750 60.699 61.300 0.248 0.000 1.068 474 I CB 2.589 40.765 38.000 0.292 0.000 1.251 474 I HN 0.283 nan 8.210 nan 0.000 0.424 475 D N 4.134 124.706 120.400 0.287 0.000 2.787 475 D HA 0.610 5.249 4.640 -0.001 0.000 0.246 475 D C -0.681 175.668 176.300 0.081 0.000 1.150 475 D CA -0.443 53.708 54.000 0.252 0.000 0.864 475 D CB 2.477 43.456 40.800 0.299 0.000 1.481 475 D HN 0.660 nan 8.370 nan 0.000 0.509 476 A N 2.507 125.295 122.820 -0.053 0.000 2.520 476 A HA 0.385 4.704 4.320 -0.001 0.000 0.245 476 A C 0.297 177.884 177.584 0.005 0.000 1.072 476 A CA 0.036 51.975 52.037 -0.163 0.000 0.761 476 A CB 0.081 18.930 19.000 -0.250 0.000 1.004 476 A HN 0.441 nan 8.150 nan 0.000 0.499 477 S N 1.599 117.302 115.700 0.005 0.000 2.523 477 S HA 0.449 4.918 4.470 -0.001 0.000 0.275 477 S C 1.270 175.933 174.600 0.105 0.000 1.281 477 S CA 0.314 58.557 58.200 0.071 0.000 1.050 477 S CB 0.970 64.195 63.200 0.042 0.000 0.937 477 S HN 2.039 nan 8.310 nan 0.000 0.492 478 G N 2.210 111.130 108.800 0.200 0.000 2.450 478 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.302 478 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.302 478 G C 0.677 175.721 174.900 0.240 0.000 0.957 478 G CA 0.620 45.866 45.100 0.242 0.000 1.005 478 G HN 0.720 nan 8.290 nan 0.000 0.514 479 L N -0.096 121.263 121.223 0.227 0.000 1.980 479 L HA -0.169 4.171 4.340 -0.001 0.000 0.232 479 L C 2.472 179.495 176.870 0.255 0.000 1.092 479 L CA 3.123 58.072 54.840 0.182 0.000 0.808 479 L CB -0.670 41.472 42.059 0.138 0.000 0.908 479 L HN 0.495 nan 8.230 nan 0.000 0.442 480 E N -1.027 119.363 120.200 0.316 0.000 2.338 480 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 480 E C 2.215 179.089 176.600 0.457 0.000 1.007 480 E CA 0.824 57.446 56.400 0.371 0.000 0.849 480 E CB -0.135 29.729 29.700 0.274 0.000 0.774 480 E HN 0.554 nan 8.360 nan 0.000 0.506 481 L N 0.064 121.552 121.223 0.443 0.000 2.270 481 L HA -0.043 4.296 4.340 -0.001 0.000 0.210 481 L C 2.312 179.391 176.870 0.350 0.000 1.104 481 L CA 0.612 55.666 54.840 0.357 0.000 0.804 481 L CB -0.112 42.075 42.059 0.213 0.000 0.937 481 L HN 0.044 nan 8.230 nan 0.000 0.450 482 R N -1.019 119.648 120.500 0.279 0.000 2.148 482 R HA -0.082 4.257 4.340 -0.001 0.000 0.223 482 R C 2.304 178.836 176.300 0.387 0.000 1.088 482 R CA 1.141 57.396 56.100 0.259 0.000 0.985 482 R CB -0.434 29.992 30.300 0.210 0.000 0.880 482 R HN 0.389 nan 8.270 nan 0.000 0.451 483 C N 0.629 120.195 119.300 0.442 0.000 2.440 483 C HA -0.033 4.426 4.460 -0.001 0.000 0.278 483 C C 2.532 177.803 174.990 0.468 0.000 1.295 483 C CA 0.111 59.449 59.018 0.534 0.000 1.738 483 C CB -0.792 27.272 27.740 0.539 0.000 1.987 483 C HN 0.419 nan 8.230 nan 0.000 0.492 484 L N 2.081 123.564 121.223 0.433 0.000 2.017 484 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 484 L C 2.597 179.677 176.870 0.351 0.000 1.073 484 L CA 2.369 57.440 54.840 0.386 0.000 0.745 484 L CB -0.971 41.263 42.059 0.292 0.000 0.894 484 L HN 0.248 nan 8.230 nan 0.000 0.432 485 A N -0.925 122.136 122.820 0.402 0.000 1.873 485 A HA -0.363 3.957 4.320 -0.001 0.000 0.218 485 A C 2.287 179.940 177.584 0.114 0.000 1.193 485 A CA 2.102 54.354 52.037 0.358 0.000 0.629 485 A CB -1.280 17.843 19.000 0.204 0.000 0.826 485 A HN 0.779 nan 8.150 nan 0.000 0.447 486 H N -1.278 117.695 119.070 -0.163 0.000 2.265 486 H HA -0.193 4.363 4.556 -0.001 0.000 0.295 486 H C 1.510 176.578 175.328 -0.433 0.000 1.084 486 H CA 2.496 58.190 56.048 -0.591 0.000 1.261 486 H CB -0.507 28.339 29.762 -1.528 0.000 1.360 486 H HN 0.423 nan 8.280 nan 0.000 0.487 487 F N -0.413 119.422 119.950 -0.191 0.000 2.604 487 F HA 0.003 4.529 4.527 -0.002 0.000 0.298 487 F C 2.212 178.011 175.800 -0.003 0.000 1.131 487 F CA 0.723 58.633 58.000 -0.150 0.000 1.457 487 F CB -0.201 38.833 39.000 0.058 0.000 1.095 487 F HN 0.268 nan 8.300 nan 0.000 0.574 488 M N -1.104 118.619 119.600 0.205 0.000 2.502 488 M HA 0.126 4.605 4.480 -0.001 0.000 0.243 488 M C 2.289 178.693 176.300 0.173 0.000 1.130 488 M CA 0.410 55.880 55.300 0.285 0.000 1.055 488 M CB -0.235 32.496 32.600 0.219 0.000 1.457 488 M HN 0.136 nan 8.290 nan 0.000 0.488 489 A N 1.941 124.762 122.820 0.002 0.000 1.908 489 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 489 A C 2.126 179.652 177.584 -0.098 0.000 1.181 489 A CA 1.857 53.861 52.037 -0.056 0.000 0.627 489 A CB -0.643 18.263 19.000 -0.156 0.000 0.818 489 A HN 0.642 nan 8.150 nan 0.000 0.445 490 R N -2.088 118.281 120.500 -0.219 0.000 2.189 490 R HA -0.016 4.323 4.340 -0.001 0.000 0.223 490 R C 1.349 177.426 176.300 -0.371 0.000 1.092 490 R CA 1.643 57.536 56.100 -0.345 0.000 0.989 490 R CB -0.528 29.461 30.300 -0.519 0.000 0.876 490 R HN 0.452 nan 8.270 nan 0.000 0.457 491 F N 1.526 121.466 119.950 -0.016 0.000 2.374 491 F HA 0.063 4.589 4.527 -0.002 0.000 0.291 491 F C 1.553 177.353 175.800 -0.000 0.000 1.084 491 F CA 0.715 58.711 58.000 -0.007 0.000 1.413 491 F CB 0.024 39.023 39.000 -0.003 0.000 1.099 491 F HN 0.128 nan 8.300 nan 0.000 0.534 492 D N -1.953 118.556 120.400 0.182 0.000 2.440 492 D HA 0.011 4.650 4.640 -0.001 0.000 0.216 492 D C -0.126 176.215 176.300 0.070 0.000 1.150 492 D CA 0.037 54.109 54.000 0.120 0.000 0.832 492 D CB -0.791 40.090 40.800 0.134 0.000 0.992 492 D HN 0.050 nan 8.370 nan 0.000 0.502 493 N N 0.617 119.338 118.700 0.033 0.000 2.714 493 N HA -0.177 4.562 4.740 -0.001 0.000 0.250 493 N C 1.129 176.646 175.510 0.012 0.000 1.117 493 N CA 1.321 54.374 53.050 0.004 0.000 0.719 493 N CB -1.583 36.904 38.487 0.000 0.000 1.081 493 N HN 0.671 nan 8.380 nan 0.000 0.557 494 G N -0.827 107.994 108.800 0.035 0.000 2.141 494 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.242 494 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.242 494 G C 0.845 175.805 174.900 0.099 0.000 0.982 494 G CA 0.783 45.915 45.100 0.053 0.000 0.662 494 G HN 0.560 nan 8.290 nan 0.000 0.527 495 E N -1.082 119.185 120.200 0.112 0.000 2.038 495 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 495 E C 1.954 178.676 176.600 0.204 0.000 1.000 495 E CA 1.501 57.986 56.400 0.141 0.000 0.803 495 E CB -0.148 29.625 29.700 0.122 0.000 0.750 495 E HN 0.605 nan 8.360 nan 0.000 0.448 496 Y N 1.148 121.497 120.300 0.082 0.000 2.200 496 Y HA -0.160 4.389 4.550 -0.002 0.000 0.290 496 Y C 2.205 178.149 175.900 0.073 0.000 1.137 496 Y CA 1.133 59.278 58.100 0.075 0.000 1.163 496 Y CB -0.559 37.945 38.460 0.073 0.000 0.988 496 Y HN 0.002 nan 8.280 nan 0.000 0.518 497 A N -0.863 121.974 122.820 0.028 0.000 1.978 497 A HA -0.293 4.027 4.320 -0.001 0.000 0.220 497 A C 2.051 179.602 177.584 -0.056 0.000 1.170 497 A CA 2.209 54.218 52.037 -0.047 0.000 0.636 497 A CB -1.180 17.840 19.000 0.034 0.000 0.810 497 A HN 0.743 nan 8.150 nan 0.000 0.448 498 H N 0.211 119.242 119.070 -0.066 0.000 2.355 498 H HA -0.029 4.527 4.556 -0.001 0.000 0.303 498 H C 2.059 177.342 175.328 -0.074 0.000 1.061 498 H CA 1.594 57.611 56.048 -0.051 0.000 1.368 498 H CB -0.159 29.593 29.762 -0.017 0.000 1.412 498 H HN 0.692 nan 8.280 nan 0.000 0.523 499 E N 0.218 120.359 120.200 -0.099 0.000 2.204 499 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 499 E C 2.113 178.576 176.600 -0.229 0.000 0.989 499 E CA 1.091 57.410 56.400 -0.134 0.000 0.824 499 E CB -0.364 29.358 29.700 0.037 0.000 0.756 499 E HN 0.623 nan 8.360 nan 0.000 0.477 500 I N 0.856 121.206 120.570 -0.366 0.000 2.756 500 I HA -0.136 4.033 4.170 -0.001 0.000 0.262 500 I C 1.648 177.618 176.117 -0.244 0.000 1.225 500 I CA 0.677 61.740 61.300 -0.394 0.000 1.472 500 I CB 0.196 37.817 38.000 -0.632 0.000 1.094 500 I HN 0.191 nan 8.210 nan 0.000 0.454 501 L N 0.277 121.354 121.223 -0.242 0.000 2.591 501 L HA 0.050 4.389 4.340 -0.001 0.000 0.228 501 L C 0.539 177.307 176.870 -0.170 0.000 1.133 501 L CA -0.034 54.695 54.840 -0.185 0.000 0.880 501 L CB -0.649 41.300 42.059 -0.183 0.000 1.033 501 L HN 0.212 nan 8.230 nan 0.000 0.450 502 N N 1.514 120.106 118.700 -0.179 0.000 2.868 502 N HA 0.358 5.097 4.740 -0.001 0.000 0.252 502 N C 0.360 175.826 175.510 -0.074 0.000 1.130 502 N CA 0.754 53.729 53.050 -0.126 0.000 1.026 502 N CB 0.105 38.519 38.487 -0.120 0.000 1.335 502 N HN 0.303 nan 8.380 nan 0.000 0.516 503 G N 2.200 110.966 108.800 -0.057 0.000 2.760 503 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.246 503 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.246 503 G C -0.819 174.062 174.900 -0.032 0.000 1.359 503 G CA -0.459 44.622 45.100 -0.031 0.000 0.861 503 G HN 0.693 nan 8.290 nan 0.000 0.541 504 D N -0.734 119.662 120.400 -0.008 0.000 2.371 504 D HA 0.369 5.008 4.640 -0.001 0.000 0.256 504 D C 1.637 177.927 176.300 -0.016 0.000 1.193 504 D CA -0.006 53.994 54.000 0.001 0.000 0.881 504 D CB 0.756 41.581 40.800 0.040 0.000 1.143 504 D HN 0.590 nan 8.370 nan 0.000 0.473 505 I N 4.592 125.114 120.570 -0.080 0.000 2.286 505 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 505 I C 1.620 177.675 176.117 -0.102 0.000 1.115 505 I CA 1.708 62.934 61.300 -0.124 0.000 1.392 505 I CB -0.255 37.609 38.000 -0.227 0.000 1.065 505 I HN 0.602 nan 8.210 nan 0.000 0.418 506 H N -0.672 118.431 119.070 0.056 0.000 2.395 506 H HA -0.016 4.539 4.556 -0.001 0.000 0.299 506 H C 2.203 177.569 175.328 0.063 0.000 1.070 506 H CA 1.828 57.910 56.048 0.057 0.000 1.356 506 H CB -0.679 29.111 29.762 0.047 0.000 1.401 506 H HN 0.296 nan 8.280 nan 0.000 0.524 507 T N 0.841 115.491 114.554 0.160 0.000 2.821 507 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 507 T C 2.051 176.801 174.700 0.084 0.000 1.046 507 T CA 1.091 63.253 62.100 0.102 0.000 1.139 507 T CB 0.170 69.080 68.868 0.071 0.000 0.871 507 T HN 0.307 nan 8.240 nan 0.000 0.454 508 K N 0.806 121.251 120.400 0.075 0.000 2.097 508 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 508 K C 1.965 178.633 176.600 0.114 0.000 1.050 508 K CA 1.097 57.425 56.287 0.067 0.000 0.938 508 K CB 0.016 32.542 32.500 0.044 0.000 0.718 508 K HN 0.148 nan 8.250 nan 0.000 0.442 509 N N 0.946 119.751 118.700 0.176 0.000 2.216 509 N HA -0.168 4.572 4.740 -0.001 0.000 0.183 509 N C 1.671 177.316 175.510 0.225 0.000 1.017 509 N CA 0.790 54.025 53.050 0.308 0.000 0.861 509 N CB -0.166 38.538 38.487 0.361 0.000 0.986 509 N HN 0.344 nan 8.380 nan 0.000 0.428 510 Q N 0.785 120.671 119.800 0.143 0.000 2.061 510 Q HA -0.114 4.225 4.340 -0.001 0.000 0.204 510 Q C 2.010 178.036 176.000 0.042 0.000 0.984 510 Q CA 1.216 57.062 55.803 0.072 0.000 0.846 510 Q CB -0.095 28.681 28.738 0.064 0.000 0.902 510 Q HN 0.354 nan 8.270 nan 0.000 0.421 511 I N 0.517 121.117 120.570 0.051 0.000 2.142 511 I HA -0.282 3.887 4.170 -0.001 0.000 0.240 511 I C 2.493 178.622 176.117 0.020 0.000 1.078 511 I CA 1.116 62.431 61.300 0.026 0.000 1.343 511 I CB -0.484 37.530 38.000 0.023 0.000 1.046 511 I HN 0.247 nan 8.210 nan 0.000 0.405 512 A N 0.535 123.382 122.820 0.045 0.000 1.933 512 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 512 A C 2.345 179.952 177.584 0.038 0.000 1.175 512 A CA 1.849 53.897 52.037 0.018 0.000 0.628 512 A CB -0.661 18.326 19.000 -0.022 0.000 0.814 512 A HN 0.460 nan 8.150 nan 0.000 0.444 513 A N -1.265 121.599 122.820 0.073 0.000 2.251 513 A HA 0.308 4.627 4.320 -0.001 0.000 0.209 513 A C 0.605 178.118 177.584 -0.118 0.000 1.187 513 A CA 0.739 52.735 52.037 -0.068 0.000 0.823 513 A CB -0.402 18.384 19.000 -0.356 0.000 0.846 513 A HN 0.571 nan 8.150 nan 0.000 0.486 514 E N -0.773 119.391 120.200 -0.060 0.000 2.389 514 E HA -0.181 4.168 4.350 -0.001 0.000 0.243 514 E C -0.740 175.818 176.600 -0.070 0.000 1.154 514 E CA 0.354 56.722 56.400 -0.054 0.000 0.723 514 E CB -2.061 27.608 29.700 -0.052 0.000 1.261 514 E HN 0.656 nan 8.360 nan 0.000 0.390 515 L N 0.424 121.601 121.223 -0.075 0.000 2.399 515 L HA 0.257 4.596 4.340 -0.001 0.000 0.266 515 L C -0.455 176.396 176.870 -0.032 0.000 1.114 515 L CA -1.812 52.985 54.840 -0.071 0.000 0.804 515 L CB 0.176 42.182 42.059 -0.090 0.000 1.146 515 L HN -0.079 nan 8.230 nan 0.000 0.451 516 P HA -0.059 nan 4.420 nan 0.000 0.217 516 P C 0.355 177.653 177.300 -0.003 0.000 1.151 516 P CA 1.072 64.165 63.100 -0.011 0.000 0.828 516 P CB 0.148 31.842 31.700 -0.010 0.000 0.788 517 T N -4.902 109.652 114.554 0.001 0.000 2.865 517 T HA 0.427 4.776 4.350 -0.001 0.000 0.294 517 T C 0.879 175.589 174.700 0.016 0.000 1.119 517 T CA -0.909 61.195 62.100 0.007 0.000 1.007 517 T CB 2.507 71.377 68.868 0.004 0.000 1.225 517 T HN -0.172 nan 8.240 nan 0.000 0.515 518 R N -0.017 120.495 120.500 0.019 0.000 2.115 518 R HA -0.062 4.277 4.340 -0.001 0.000 0.226 518 R C 1.222 177.524 176.300 0.004 0.000 1.100 518 R CA 1.547 57.665 56.100 0.031 0.000 0.980 518 R CB -0.387 29.934 30.300 0.034 0.000 0.875 518 R HN 0.679 nan 8.270 nan 0.000 0.445 519 D N 0.080 120.476 120.400 -0.006 0.000 2.117 519 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 519 D C 1.417 177.724 176.300 0.012 0.000 0.987 519 D CA 1.080 55.071 54.000 -0.014 0.000 0.829 519 D CB -0.461 40.335 40.800 -0.007 0.000 0.961 519 D HN 0.405 nan 8.370 nan 0.000 0.460 520 N N 0.454 119.168 118.700 0.025 0.000 2.149 520 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 520 N C 1.753 177.314 175.510 0.086 0.000 1.019 520 N CA 1.077 54.155 53.050 0.045 0.000 0.857 520 N CB 0.123 38.624 38.487 0.023 0.000 0.997 520 N HN 0.030 nan 8.380 nan 0.000 0.426 521 A N 1.086 123.952 122.820 0.077 0.000 1.933 521 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 521 A C 2.126 179.801 177.584 0.151 0.000 1.175 521 A CA 1.199 53.323 52.037 0.146 0.000 0.628 521 A CB -0.277 18.804 19.000 0.136 0.000 0.814 521 A HN 0.305 nan 8.150 nan 0.000 0.444 522 K N -1.091 119.316 120.400 0.012 0.000 2.001 522 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 522 K C 2.315 178.950 176.600 0.057 0.000 1.048 522 K CA 1.706 57.928 56.287 -0.108 0.000 0.932 522 K CB -0.437 31.910 32.500 -0.256 0.000 0.715 522 K HN 0.535 nan 8.250 nan 0.000 0.437 523 T N 0.174 114.788 114.554 0.100 0.000 2.962 523 T HA -0.153 4.196 4.350 -0.001 0.000 0.270 523 T C 1.594 176.362 174.700 0.112 0.000 1.088 523 T CA 0.857 63.037 62.100 0.133 0.000 1.127 523 T CB -0.249 68.682 68.868 0.105 0.000 0.883 523 T HN 0.239 nan 8.240 nan 0.000 0.493 524 F N 1.253 121.194 119.950 -0.015 0.000 2.074 524 F HA 0.138 4.663 4.527 -0.002 0.000 0.293 524 F C 1.858 177.607 175.800 -0.086 0.000 1.116 524 F CA 0.809 58.773 58.000 -0.061 0.000 1.212 524 F CB -0.966 37.957 39.000 -0.129 0.000 0.998 524 F HN 0.167 nan 8.300 nan 0.000 0.471 525 I N -0.094 120.061 120.570 -0.692 0.000 2.208 525 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 525 I C 2.065 177.866 176.117 -0.528 0.000 1.097 525 I CA 1.748 62.579 61.300 -0.783 0.000 1.363 525 I CB -0.812 36.926 38.000 -0.437 0.000 1.051 525 I HN 0.234 nan 8.210 nan 0.000 0.413 526 Y N 0.435 120.594 120.300 -0.235 0.000 2.263 526 Y HA 0.009 4.558 4.550 -0.001 0.000 0.292 526 Y C 2.597 178.332 175.900 -0.274 0.000 1.130 526 Y CA 1.116 59.040 58.100 -0.294 0.000 1.179 526 Y CB -1.460 36.957 38.460 -0.072 0.000 0.998 526 Y HN 0.186 nan 8.280 nan 0.000 0.532 527 G N -0.325 108.475 108.800 -0.000 0.000 2.446 527 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.217 527 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.217 527 G C 1.685 176.557 174.900 -0.046 0.000 1.168 527 G CA 1.021 46.138 45.100 0.029 0.000 0.771 527 G HN 0.411 nan 8.290 nan 0.000 0.551 528 F N 1.371 121.100 119.950 -0.367 0.000 2.046 528 F HA -0.049 4.477 4.527 -0.002 0.000 0.297 528 F C 2.222 177.856 175.800 -0.277 0.000 1.123 528 F CA 1.512 59.285 58.000 -0.379 0.000 1.199 528 F CB -0.753 37.807 39.000 -0.733 0.000 0.972 528 F HN 0.105 nan 8.300 nan 0.000 0.474 529 L N -0.238 120.483 121.223 -0.835 0.000 2.127 529 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 529 L C 0.935 177.460 176.870 -0.575 0.000 1.089 529 L CA 1.742 56.024 54.840 -0.930 0.000 0.757 529 L CB -1.173 40.404 42.059 -0.803 0.000 0.899 529 L HN 0.291 nan 8.230 nan 0.000 0.434 530 Y N 0.055 120.249 120.300 -0.178 0.000 2.746 530 Y HA 0.521 5.070 4.550 -0.001 0.000 0.312 530 Y C 1.610 177.473 175.900 -0.061 0.000 1.117 530 Y CA -0.844 57.197 58.100 -0.098 0.000 1.324 530 Y CB -0.372 38.064 38.460 -0.040 0.000 1.173 530 Y HN 0.193 nan 8.280 nan 0.000 0.529 531 G N -0.089 108.720 108.800 0.016 0.000 2.137 531 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.237 531 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.237 531 G C 0.417 175.364 174.900 0.077 0.000 1.002 531 G CA -0.084 45.047 45.100 0.051 0.000 0.702 531 G HN 0.695 nan 8.290 nan 0.000 0.515 532 A N 0.199 123.063 122.820 0.073 0.000 2.477 532 A HA 0.663 4.982 4.320 -0.001 0.000 0.246 532 A C 1.359 178.998 177.584 0.092 0.000 1.078 532 A CA 1.022 53.112 52.037 0.088 0.000 0.770 532 A CB 0.341 19.395 19.000 0.091 0.000 1.011 532 A HN 1.807 nan 8.150 nan 0.000 0.494 533 G N 0.770 109.616 108.800 0.077 0.000 2.651 533 G HA2 0.295 4.254 3.960 -0.001 0.000 0.260 533 G HA3 0.295 4.254 3.960 -0.001 0.000 0.260 533 G C 0.330 175.280 174.900 0.083 0.000 1.216 533 G CA -0.007 45.135 45.100 0.070 0.000 0.913 533 G HN 0.702 nan 8.290 nan 0.000 0.535 534 D N -0.680 119.765 120.400 0.074 0.000 2.123 534 D HA -0.135 4.504 4.640 -0.001 0.000 0.196 534 D C 2.007 178.349 176.300 0.069 0.000 0.992 534 D CA 1.431 55.477 54.000 0.076 0.000 0.833 534 D CB -0.057 40.779 40.800 0.060 0.000 0.954 534 D HN 0.719 nan 8.370 nan 0.000 0.455 535 E N 0.650 120.884 120.200 0.058 0.000 2.051 535 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 535 E C 1.934 178.571 176.600 0.061 0.000 0.991 535 E CA 1.184 57.615 56.400 0.053 0.000 0.799 535 E CB 0.132 29.859 29.700 0.045 0.000 0.748 535 E HN -0.108 nan 8.360 nan 0.000 0.449 536 K N 0.829 121.269 120.400 0.067 0.000 2.063 536 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 536 K C 1.946 178.601 176.600 0.092 0.000 1.048 536 K CA 1.418 57.749 56.287 0.074 0.000 0.928 536 K CB -0.402 32.142 32.500 0.074 0.000 0.713 536 K HN 0.188 nan 8.250 nan 0.000 0.442 537 I N 0.608 121.244 120.570 0.110 0.000 2.163 537 I HA -0.173 3.996 4.170 -0.001 0.000 0.243 537 I C 2.312 178.503 176.117 0.122 0.000 1.085 537 I CA 1.831 63.223 61.300 0.153 0.000 1.347 537 I CB -1.783 36.328 38.000 0.185 0.000 1.044 537 I HN 0.410 nan 8.210 nan 0.000 0.408 538 G N 0.131 108.982 108.800 0.084 0.000 2.476 538 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.218 538 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.218 538 G C 1.605 176.536 174.900 0.051 0.000 1.164 538 G CA 0.997 46.130 45.100 0.055 0.000 0.768 538 G HN 0.467 nan 8.290 nan 0.000 0.560 539 Q N -0.262 119.572 119.800 0.057 0.000 2.030 539 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 539 Q C 2.629 178.663 176.000 0.056 0.000 0.986 539 Q CA 1.571 57.405 55.803 0.052 0.000 0.843 539 Q CB -0.200 28.571 28.738 0.054 0.000 0.904 539 Q HN 0.404 nan 8.270 nan 0.000 0.420 540 I N 0.909 121.526 120.570 0.078 0.000 2.145 540 I HA -0.239 3.930 4.170 -0.001 0.000 0.244 540 I C 2.455 178.614 176.117 0.071 0.000 1.075 540 I CA 1.543 62.897 61.300 0.090 0.000 1.332 540 I CB -1.638 36.448 38.000 0.143 0.000 1.033 540 I HN 0.347 nan 8.210 nan 0.000 0.410 541 V N -0.918 119.028 119.914 0.054 0.000 3.623 541 V HA 0.458 4.577 4.120 -0.001 0.000 0.271 541 V C 1.270 177.360 176.094 -0.006 0.000 1.248 541 V CA 0.327 62.625 62.300 -0.004 0.000 1.156 541 V CB -0.730 31.046 31.823 -0.079 0.000 0.870 541 V HN 0.603 nan 8.190 nan 0.000 0.453 542 G N -0.416 108.392 108.800 0.014 0.000 2.289 542 G HA2 0.194 4.153 3.960 -0.001 0.000 0.280 542 G HA3 0.194 4.153 3.960 -0.001 0.000 0.280 542 G C 0.073 174.977 174.900 0.006 0.000 1.089 542 G CA 0.316 45.422 45.100 0.012 0.000 0.939 542 G HN 1.714 nan 8.290 nan 0.000 0.499 543 A N -1.374 121.452 122.820 0.011 0.000 3.065 543 A HA 1.060 5.379 4.320 -0.001 0.000 0.293 543 A C 0.630 178.225 177.584 0.018 0.000 1.213 543 A CA 0.305 52.346 52.037 0.008 0.000 0.667 543 A CB 0.340 19.338 19.000 -0.004 0.000 1.412 543 A HN 1.885 nan 8.150 nan 0.000 0.601 544 G N -1.058 107.752 108.800 0.017 0.000 2.488 544 G HA2 0.470 4.429 3.960 -0.001 0.000 0.318 544 G HA3 0.470 4.429 3.960 -0.001 0.000 0.318 544 G C 0.582 175.499 174.900 0.028 0.000 1.188 544 G CA 0.139 45.253 45.100 0.023 0.000 0.944 544 G HN 1.007 nan 8.290 nan 0.000 0.495 545 K N -0.520 119.899 120.400 0.032 0.000 2.152 545 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 545 K C 1.623 178.244 176.600 0.034 0.000 1.048 545 K CA 1.943 58.252 56.287 0.037 0.000 0.933 545 K CB -0.041 32.480 32.500 0.035 0.000 0.721 545 K HN 0.458 nan 8.250 nan 0.000 0.447 546 E N 0.712 120.927 120.200 0.026 0.000 2.106 546 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 546 E C 2.064 178.676 176.600 0.020 0.000 0.984 546 E CA 1.067 57.480 56.400 0.022 0.000 0.806 546 E CB -0.047 29.662 29.700 0.016 0.000 0.750 546 E HN 0.230 nan 8.360 nan 0.000 0.458 547 R N 0.682 121.192 120.500 0.016 0.000 2.148 547 R HA -0.014 4.325 4.340 -0.001 0.000 0.227 547 R C 2.037 178.348 176.300 0.018 0.000 1.103 547 R CA 1.600 57.704 56.100 0.007 0.000 0.983 547 R CB -0.858 29.439 30.300 -0.005 0.000 0.874 547 R HN 0.222 nan 8.270 nan 0.000 0.451 548 G N 0.377 109.199 108.800 0.038 0.000 2.408 548 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 548 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 548 G C 1.186 176.131 174.900 0.075 0.000 1.150 548 G CA 0.626 45.767 45.100 0.068 0.000 0.776 548 G HN 0.359 nan 8.290 nan 0.000 0.542 549 K N 0.429 120.863 120.400 0.056 0.000 2.001 549 K HA -0.046 4.274 4.320 -0.001 0.000 0.208 549 K C 2.413 179.044 176.600 0.051 0.000 1.048 549 K CA 1.322 57.642 56.287 0.056 0.000 0.932 549 K CB -0.206 32.318 32.500 0.041 0.000 0.715 549 K HN 0.359 nan 8.250 nan 0.000 0.437 550 E N 0.781 121.003 120.200 0.036 0.000 2.068 550 E HA -0.258 4.091 4.350 -0.001 0.000 0.207 550 E C 1.988 178.614 176.600 0.045 0.000 1.032 550 E CA 1.512 57.928 56.400 0.027 0.000 0.839 550 E CB -0.212 29.494 29.700 0.010 0.000 0.758 550 E HN 0.053 nan 8.360 nan 0.000 0.457 551 L N 1.334 122.590 121.223 0.055 0.000 2.012 551 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 551 L C 2.237 179.169 176.870 0.103 0.000 1.073 551 L CA 1.686 56.594 54.840 0.113 0.000 0.748 551 L CB -0.756 41.333 42.059 0.051 0.000 0.891 551 L HN 0.034 nan 8.230 nan 0.000 0.431 552 K N 0.448 120.884 120.400 0.060 0.000 2.009 552 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 552 K C 2.074 178.720 176.600 0.078 0.000 1.049 552 K CA 1.977 58.292 56.287 0.046 0.000 0.929 552 K CB -0.123 32.471 32.500 0.156 0.000 0.714 552 K HN 0.520 nan 8.250 nan 0.000 0.440 553 K N 0.432 120.879 120.400 0.079 0.000 2.228 553 K HA -0.098 4.221 4.320 -0.001 0.000 0.202 553 K C 2.094 178.719 176.600 0.042 0.000 1.051 553 K CA 1.105 57.435 56.287 0.070 0.000 0.960 553 K CB -0.071 32.458 32.500 0.048 0.000 0.743 553 K HN -0.063 nan 8.250 nan 0.000 0.458 554 K N 0.373 120.793 120.400 0.032 0.000 2.002 554 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 554 K C 1.579 178.114 176.600 -0.107 0.000 1.048 554 K CA 1.593 57.860 56.287 -0.033 0.000 0.930 554 K CB -0.147 32.341 32.500 -0.019 0.000 0.714 554 K HN 0.157 nan 8.250 nan 0.000 0.438 555 F N 0.404 120.244 119.950 -0.183 0.000 2.367 555 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 555 F C 1.917 177.707 175.800 -0.017 0.000 1.094 555 F CA 0.234 58.117 58.000 -0.196 0.000 1.409 555 F CB -0.156 38.522 39.000 -0.537 0.000 1.064 555 F HN 0.066 nan 8.300 nan 0.000 0.528 556 L N 0.373 121.732 121.223 0.226 0.000 2.072 556 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 556 L C 2.053 178.993 176.870 0.115 0.000 1.079 556 L CA 1.884 56.900 54.840 0.293 0.000 0.752 556 L CB -0.748 41.485 42.059 0.289 0.000 0.906 556 L HN 0.094 nan 8.230 nan 0.000 0.436 557 E N -0.960 119.274 120.200 0.058 0.000 2.208 557 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 557 E C 1.581 178.176 176.600 -0.007 0.000 0.988 557 E CA 0.936 57.345 56.400 0.015 0.000 0.828 557 E CB -0.167 29.532 29.700 -0.001 0.000 0.763 557 E HN 0.490 nan 8.360 nan 0.000 0.478 558 N N 0.178 118.860 118.700 -0.031 0.000 2.512 558 N HA -0.065 4.674 4.740 -0.001 0.000 0.183 558 N C -0.515 174.986 175.510 -0.015 0.000 1.073 558 N CA 0.839 53.856 53.050 -0.054 0.000 0.911 558 N CB 0.479 38.876 38.487 -0.150 0.000 0.964 558 N HN -0.155 nan 8.380 nan 0.000 0.447 559 T N 0.648 115.203 114.554 0.001 0.000 3.477 559 T HA 0.175 4.524 4.350 -0.001 0.000 0.277 559 T C -2.396 172.291 174.700 -0.022 0.000 1.090 559 T CA -0.790 61.295 62.100 -0.025 0.000 1.635 559 T CB 1.632 70.432 68.868 -0.114 0.000 0.817 559 T HN 0.063 nan 8.240 nan 0.000 0.609 560 P HA -0.021 nan 4.420 nan 0.000 0.225 560 P C 1.468 178.720 177.300 -0.080 0.000 1.148 560 P CA 0.480 63.561 63.100 -0.032 0.000 0.779 560 P CB 0.163 31.851 31.700 -0.021 0.000 0.780 561 A N -0.022 122.755 122.820 -0.072 0.000 2.125 561 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 561 A C 2.229 179.692 177.584 -0.202 0.000 1.156 561 A CA 0.814 52.778 52.037 -0.121 0.000 0.671 561 A CB -1.448 17.564 19.000 0.020 0.000 0.794 561 A HN 0.159 nan 8.150 nan 0.000 0.459 562 I N -0.559 119.922 120.570 -0.147 0.000 2.226 562 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 562 I C 2.936 178.941 176.117 -0.187 0.000 1.100 562 I CA 1.062 62.269 61.300 -0.156 0.000 1.374 562 I CB -0.302 37.615 38.000 -0.139 0.000 1.057 562 I HN 0.376 nan 8.210 nan 0.000 0.413 563 A N 0.711 123.428 122.820 -0.171 0.000 1.898 563 A HA -0.115 4.204 4.320 -0.001 0.000 0.216 563 A C 2.555 179.984 177.584 -0.259 0.000 1.181 563 A CA 1.655 53.592 52.037 -0.166 0.000 0.620 563 A CB -0.765 18.168 19.000 -0.112 0.000 0.819 563 A HN 0.414 nan 8.150 nan 0.000 0.442 564 A N -0.257 122.323 122.820 -0.401 0.000 1.883 564 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 564 A C 2.144 179.209 177.584 -0.864 0.000 1.186 564 A CA 1.851 53.467 52.037 -0.701 0.000 0.624 564 A CB -0.729 17.625 19.000 -1.078 0.000 0.822 564 A HN 0.733 nan 8.150 nan 0.000 0.444 565 L N -0.126 120.619 121.223 -0.796 0.000 2.012 565 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 565 L C 2.445 179.222 176.870 -0.156 0.000 1.073 565 L CA 2.140 56.786 54.840 -0.323 0.000 0.748 565 L CB -0.687 41.328 42.059 -0.073 0.000 0.891 565 L HN 0.372 nan 8.230 nan 0.000 0.431 566 R N -0.377 120.024 120.500 -0.166 0.000 2.083 566 R HA -0.180 4.159 4.340 -0.001 0.000 0.237 566 R C 2.119 178.362 176.300 -0.095 0.000 1.137 566 R CA 1.944 57.979 56.100 -0.108 0.000 0.951 566 R CB -0.406 29.831 30.300 -0.105 0.000 0.851 566 R HN 0.571 nan 8.270 nan 0.000 0.434 567 E N -0.107 120.019 120.200 -0.124 0.000 2.077 567 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 567 E C 2.050 178.619 176.600 -0.051 0.000 0.989 567 E CA 1.280 57.627 56.400 -0.089 0.000 0.800 567 E CB -0.164 29.475 29.700 -0.102 0.000 0.746 567 E HN 0.127 nan 8.360 nan 0.000 0.452 568 S N 0.533 116.214 115.700 -0.033 0.000 2.368 568 S HA -0.134 4.335 4.470 -0.001 0.000 0.225 568 S C 2.001 176.611 174.600 0.018 0.000 1.030 568 S CA 0.822 59.056 58.200 0.056 0.000 0.999 568 S CB -0.195 63.149 63.200 0.240 0.000 0.844 568 S HN 0.170 nan 8.310 nan 0.000 0.459 569 I N 1.216 121.781 120.570 -0.008 0.000 2.163 569 I HA -0.209 3.960 4.170 -0.001 0.000 0.243 569 I C 2.913 179.010 176.117 -0.033 0.000 1.085 569 I CA 1.190 62.471 61.300 -0.032 0.000 1.347 569 I CB -0.434 37.535 38.000 -0.051 0.000 1.044 569 I HN 0.329 nan 8.210 nan 0.000 0.408 570 Q N 0.474 120.249 119.800 -0.041 0.000 2.030 570 Q HA -0.297 4.042 4.340 -0.001 0.000 0.204 570 Q C 2.511 178.477 176.000 -0.056 0.000 0.986 570 Q CA 2.674 58.444 55.803 -0.055 0.000 0.843 570 Q CB -0.634 28.066 28.738 -0.063 0.000 0.904 570 Q HN 0.717 nan 8.270 nan 0.000 0.420 571 Q N -0.000 119.775 119.800 -0.042 0.000 2.226 571 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 571 Q C 2.021 177.999 176.000 -0.036 0.000 0.975 571 Q CA 1.964 57.745 55.803 -0.037 0.000 0.866 571 Q CB -1.054 27.672 28.738 -0.020 0.000 0.915 571 Q HN 0.519 nan 8.270 nan 0.000 0.440 572 T N 0.465 114.999 114.554 -0.034 0.000 2.851 572 T HA 0.095 4.444 4.350 -0.001 0.000 0.262 572 T C 1.992 176.663 174.700 -0.049 0.000 1.043 572 T CA 1.210 63.282 62.100 -0.046 0.000 1.140 572 T CB -0.086 68.749 68.868 -0.056 0.000 0.872 572 T HN 0.483 nan 8.240 nan 0.000 0.446 573 L N 0.494 121.705 121.223 -0.021 0.000 2.168 573 L HA 0.183 4.522 4.340 -0.001 0.000 0.203 573 L C 0.552 177.453 176.870 0.052 0.000 1.078 573 L CA 0.331 55.208 54.840 0.061 0.000 0.780 573 L CB -0.066 42.091 42.059 0.164 0.000 0.939 573 L HN 0.053 nan 8.230 nan 0.000 0.451 574 V N 0.594 120.453 119.914 -0.092 0.000 2.539 574 V HA 0.233 4.352 4.120 -0.001 0.000 0.292 574 V C -0.045 175.967 176.094 -0.137 0.000 1.045 574 V CA -0.707 61.461 62.300 -0.221 0.000 0.945 574 V CB 1.480 33.113 31.823 -0.316 0.000 0.993 574 V HN 0.325 nan 8.190 nan 0.000 0.464 588 W N 3.545 124.840 121.300 -0.008 0.000 2.361 588 W HA 0.371 5.030 4.660 -0.001 0.000 0.309 588 W C 1.304 177.803 176.519 -0.033 0.000 1.122 588 W CA -0.440 56.891 57.345 -0.024 0.000 1.208 588 W CB 1.228 30.681 29.460 -0.013 0.000 1.246 588 W HN 0.637 nan 8.180 nan 0.000 0.490 589 K N 1.570 122.069 120.400 0.166 0.000 2.167 589 K HA 0.058 4.377 4.320 -0.001 0.000 0.203 589 K C 0.460 177.089 176.600 0.048 0.000 1.052 589 K CA 0.999 57.327 56.287 0.068 0.000 0.956 589 K CB 0.257 32.763 32.500 0.009 0.000 0.735 589 K HN 0.416 nan 8.250 nan 0.000 0.451 590 R N -0.400 120.144 120.500 0.074 0.000 2.633 590 R HA 0.118 4.457 4.340 -0.001 0.000 0.256 590 R C -1.215 175.026 176.300 -0.098 0.000 1.131 590 R CA -0.420 55.606 56.100 -0.123 0.000 0.994 590 R CB 1.102 31.168 30.300 -0.389 0.000 1.261 590 R HN -0.046 nan 8.270 nan 0.000 0.446 591 R N 4.392 124.767 120.500 -0.208 0.000 2.586 591 R HA 0.211 4.550 4.340 -0.001 0.000 0.306 591 R C -1.002 175.188 176.300 -0.183 0.000 1.079 591 R CA -0.107 55.747 56.100 -0.410 0.000 1.083 591 R CB 0.477 30.363 30.300 -0.690 0.000 1.306 591 R HN 0.498 nan 8.270 nan 0.000 0.567 592 W N 0.008 121.225 121.300 -0.138 0.000 3.296 592 W HA 0.390 5.049 4.660 -0.001 0.000 0.314 592 W C -1.648 174.832 176.519 -0.064 0.000 1.238 592 W CA -1.123 56.160 57.345 -0.104 0.000 1.193 592 W CB 0.383 29.805 29.460 -0.064 0.000 1.383 592 W HN -0.348 nan 8.180 nan 0.000 0.545 593 I N 2.678 123.390 120.570 0.237 0.000 2.566 593 I HA 0.293 4.462 4.170 -0.001 0.000 0.303 593 I C 0.289 176.624 176.117 0.363 0.000 0.983 593 I CA -1.104 60.281 61.300 0.142 0.000 1.235 593 I CB 1.675 39.695 38.000 0.034 0.000 1.386 593 I HN 0.392 nan 8.210 nan 0.000 0.494 594 K N 3.448 124.020 120.400 0.287 0.000 2.267 594 K HA 0.408 4.727 4.320 -0.001 0.000 0.282 594 K C 0.166 176.864 176.600 0.163 0.000 1.078 594 K CA -0.262 56.214 56.287 0.316 0.000 0.903 594 K CB 0.779 33.459 32.500 0.301 0.000 1.111 594 K HN 0.872 nan 8.250 nan 0.000 0.475 595 G N 2.992 111.868 108.800 0.126 0.000 2.634 595 G HA2 0.056 4.016 3.960 -0.001 0.000 0.255 595 G HA3 0.056 4.016 3.960 -0.001 0.000 0.255 595 G C 1.089 175.961 174.900 -0.047 0.000 1.205 595 G CA -0.603 44.530 45.100 0.055 0.000 0.884 595 G HN 0.731 nan 8.290 nan 0.000 0.549 596 L N 0.005 121.104 121.223 -0.208 0.000 2.129 596 L HA -0.120 4.219 4.340 -0.001 0.000 0.212 596 L C 2.113 178.586 176.870 -0.663 0.000 1.087 596 L CA 1.768 56.237 54.840 -0.617 0.000 0.757 596 L CB -0.279 41.053 42.059 -1.213 0.000 0.896 596 L HN 0.698 nan 8.230 nan 0.000 0.434 597 D N -1.233 118.986 120.400 -0.301 0.000 2.342 597 D HA 0.121 4.760 4.640 -0.001 0.000 0.221 597 D C 1.370 177.715 176.300 0.076 0.000 1.101 597 D CA 0.596 54.639 54.000 0.072 0.000 0.837 597 D CB 0.405 41.386 40.800 0.301 0.000 0.938 597 D HN 0.265 nan 8.370 nan 0.000 0.508 598 G N 1.014 109.825 108.800 0.019 0.000 2.217 598 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.246 598 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.246 598 G C 0.530 175.473 174.900 0.072 0.000 0.990 598 G CA 0.100 45.212 45.100 0.019 0.000 0.627 598 G HN 0.696 nan 8.290 nan 0.000 0.522 599 R N 0.913 121.477 120.500 0.106 0.000 2.801 599 R HA 0.454 4.794 4.340 -0.001 0.000 0.273 599 R C -0.289 176.032 176.300 0.036 0.000 1.080 599 R CA 0.021 56.208 56.100 0.145 0.000 1.197 599 R CB 0.477 30.940 30.300 0.272 0.000 1.109 599 R HN 0.250 nan 8.270 nan 0.000 0.535 600 K N 0.914 121.217 120.400 -0.162 0.000 2.201 600 K HA 0.284 4.603 4.320 -0.001 0.000 0.278 600 K C -0.915 175.685 176.600 0.001 0.000 1.027 600 K CA -0.646 55.438 56.287 -0.340 0.000 0.909 600 K CB 1.859 33.806 32.500 -0.921 0.000 1.062 600 K HN 0.307 nan 8.250 nan 0.000 0.465 601 V N 3.487 123.496 119.914 0.158 0.000 2.326 601 V HA 0.052 4.171 4.120 -0.001 0.000 0.281 601 V C -0.302 175.902 176.094 0.184 0.000 1.015 601 V CA -0.930 61.458 62.300 0.146 0.000 0.823 601 V CB 0.537 32.429 31.823 0.115 0.000 1.009 601 V HN 0.731 nan 8.190 nan 0.000 0.436 602 H N 4.178 123.281 119.070 0.055 0.000 3.070 602 H HA 0.258 4.813 4.556 -0.001 0.000 0.313 602 H C -0.438 174.872 175.328 -0.031 0.000 0.997 602 H CA 0.426 56.485 56.048 0.018 0.000 1.438 602 H CB 0.840 30.591 29.762 -0.019 0.000 1.455 602 H HN 0.413 nan 8.280 nan 0.000 0.575 603 V N 7.744 127.308 119.914 -0.582 0.000 2.407 603 V HA 0.202 4.321 4.120 -0.001 0.000 0.278 603 V C 1.231 176.878 176.094 -0.744 0.000 1.037 603 V CA -0.351 61.660 62.300 -0.482 0.000 0.900 603 V CB 1.444 33.100 31.823 -0.279 0.000 0.983 603 V HN 0.900 nan 8.190 nan 0.000 0.459 604 R N 1.833 122.114 120.500 -0.365 0.000 2.112 604 R HA 0.229 4.568 4.340 -0.001 0.000 0.216 604 R C 0.286 176.611 176.300 0.041 0.000 1.080 604 R CA 0.485 56.474 56.100 -0.184 0.000 0.996 604 R CB 0.316 30.588 30.300 -0.047 0.000 0.902 604 R HN 0.631 nan 8.270 nan 0.000 0.449 605 S N -0.968 114.783 115.700 0.084 0.000 2.540 605 S HA 0.265 4.734 4.470 -0.001 0.000 0.275 605 S C -2.335 172.379 174.600 0.191 0.000 1.123 605 S CA -1.178 57.157 58.200 0.225 0.000 0.907 605 S CB 2.220 65.532 63.200 0.187 0.000 1.081 605 S HN -0.181 nan 8.310 nan 0.000 0.476 606 P HA -0.159 nan 4.420 nan 0.000 0.216 606 P C 1.370 178.697 177.300 0.044 0.000 1.150 606 P CA 1.047 64.182 63.100 0.059 0.000 0.837 606 P CB -0.098 31.542 31.700 -0.101 0.000 0.786 607 H N -0.996 118.076 119.070 0.002 0.000 2.524 607 H HA 0.204 4.759 4.556 -0.002 0.000 0.282 607 H C 1.088 176.415 175.328 -0.002 0.000 1.016 607 H CA 1.341 57.386 56.048 -0.006 0.000 1.270 607 H CB -0.320 29.439 29.762 -0.004 0.000 1.394 607 H HN 0.021 nan 8.280 nan 0.000 0.568 608 A N 0.597 123.054 122.820 -0.605 0.000 2.430 608 A HA 0.590 4.909 4.320 -0.001 0.000 0.243 608 A C 2.334 179.769 177.584 -0.249 0.000 1.254 608 A CA 0.392 52.132 52.037 -0.496 0.000 0.914 608 A CB -0.274 18.386 19.000 -0.568 0.000 0.998 608 A HN 0.517 nan 8.150 nan 0.000 0.515 609 A N 0.159 122.892 122.820 -0.145 0.000 1.902 609 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 609 A C 1.983 179.508 177.584 -0.097 0.000 1.181 609 A CA 1.770 53.755 52.037 -0.087 0.000 0.623 609 A CB -0.518 18.467 19.000 -0.025 0.000 0.818 609 A HN 0.767 nan 8.150 nan 0.000 0.443 610 L N 0.969 122.150 121.223 -0.070 0.000 2.083 610 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 610 L C 2.075 178.927 176.870 -0.031 0.000 1.083 610 L CA 2.479 57.307 54.840 -0.020 0.000 0.752 610 L CB -0.877 41.216 42.059 0.056 0.000 0.899 610 L HN 0.590 nan 8.230 nan 0.000 0.433 611 N N -1.308 117.271 118.700 -0.203 0.000 2.120 611 N HA -0.200 4.539 4.740 -0.001 0.000 0.188 611 N C 1.528 176.847 175.510 -0.319 0.000 1.024 611 N CA 1.980 54.669 53.050 -0.602 0.000 0.852 611 N CB 0.008 37.968 38.487 -0.879 0.000 1.003 611 N HN 0.454 nan 8.380 nan 0.000 0.424 612 T N 2.022 116.447 114.554 -0.215 0.000 2.652 612 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 612 T C 1.970 176.622 174.700 -0.080 0.000 1.039 612 T CA 1.162 63.182 62.100 -0.133 0.000 1.153 612 T CB -0.428 68.373 68.868 -0.112 0.000 0.863 612 T HN 0.182 nan 8.240 nan 0.000 0.428 613 L N 0.798 121.965 121.223 -0.094 0.000 2.012 613 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 613 L C 2.155 179.030 176.870 0.008 0.000 1.073 613 L CA 1.727 56.497 54.840 -0.117 0.000 0.748 613 L CB -0.575 41.321 42.059 -0.272 0.000 0.891 613 L HN 0.264 nan 8.230 nan 0.000 0.431 614 L N -1.318 119.955 121.223 0.083 0.000 2.095 614 L HA -0.123 4.216 4.340 -0.001 0.000 0.204 614 L C 2.624 179.607 176.870 0.188 0.000 1.080 614 L CA 1.265 56.256 54.840 0.251 0.000 0.759 614 L CB -0.674 41.599 42.059 0.357 0.000 0.914 614 L HN 0.422 nan 8.230 nan 0.000 0.439 615 Q N -0.279 119.552 119.800 0.052 0.000 2.119 615 Q HA -0.208 4.131 4.340 -0.001 0.000 0.201 615 Q C 2.416 178.454 176.000 0.064 0.000 0.972 615 Q CA 1.795 57.605 55.803 0.012 0.000 0.847 615 Q CB 0.071 28.743 28.738 -0.111 0.000 0.903 615 Q HN 0.367 nan 8.270 nan 0.000 0.433 616 S N -0.403 115.336 115.700 0.065 0.000 2.355 616 S HA -0.133 4.336 4.470 -0.001 0.000 0.222 616 S C 1.936 176.616 174.600 0.133 0.000 1.031 616 S CA 1.137 59.392 58.200 0.092 0.000 0.993 616 S CB -0.326 62.917 63.200 0.071 0.000 0.859 616 S HN 0.531 nan 8.310 nan 0.000 0.453 617 A N 0.999 123.929 122.820 0.184 0.000 1.865 617 A HA 0.058 4.377 4.320 -0.001 0.000 0.217 617 A C 2.398 180.087 177.584 0.175 0.000 1.191 617 A CA 1.995 54.166 52.037 0.223 0.000 0.623 617 A CB -1.783 17.506 19.000 0.481 0.000 0.826 617 A HN 0.650 nan 8.150 nan 0.000 0.444 618 G N -0.760 108.157 108.800 0.195 0.000 2.442 618 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.219 618 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.219 618 G C 1.713 176.733 174.900 0.201 0.000 1.141 618 G CA 1.545 46.745 45.100 0.168 0.000 0.763 618 G HN 0.843 nan 8.290 nan 0.000 0.554 619 A N 0.496 123.439 122.820 0.205 0.000 1.898 619 A HA 0.162 4.481 4.320 -0.001 0.000 0.216 619 A C 2.414 180.200 177.584 0.336 0.000 1.181 619 A CA 1.110 53.310 52.037 0.272 0.000 0.620 619 A CB -0.324 18.803 19.000 0.211 0.000 0.819 619 A HN 0.343 nan 8.150 nan 0.000 0.442 620 L N -0.668 120.713 121.223 0.265 0.000 2.109 620 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 620 L C 2.461 179.614 176.870 0.471 0.000 1.086 620 L CA 0.937 55.964 54.840 0.312 0.000 0.760 620 L CB -0.583 41.556 42.059 0.133 0.000 0.910 620 L HN 0.364 nan 8.230 nan 0.000 0.437 621 I N -0.376 120.429 120.570 0.392 0.000 2.179 621 I HA -0.341 3.828 4.170 -0.001 0.000 0.242 621 I C 2.631 178.981 176.117 0.388 0.000 1.088 621 I CA 1.302 62.846 61.300 0.406 0.000 1.357 621 I CB -0.301 37.760 38.000 0.102 0.000 1.051 621 I HN 0.379 nan 8.210 nan 0.000 0.409 622 C N 0.337 119.884 119.300 0.411 0.000 2.422 622 C HA -0.149 4.310 4.460 -0.001 0.000 0.279 622 C C 2.784 178.112 174.990 0.563 0.000 1.305 622 C CA 0.725 60.115 59.018 0.619 0.000 1.757 622 C CB -0.941 27.233 27.740 0.724 0.000 1.962 622 C HN 0.429 nan 8.230 nan 0.000 0.499 623 K N 0.606 121.272 120.400 0.443 0.000 2.025 623 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 623 K C 2.048 178.707 176.600 0.099 0.000 1.049 623 K CA 1.013 57.408 56.287 0.180 0.000 0.933 623 K CB -0.315 32.357 32.500 0.287 0.000 0.714 623 K HN 0.437 nan 8.250 nan 0.000 0.438 624 L N 0.237 121.595 121.223 0.224 0.000 2.131 624 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 624 L C 2.137 179.068 176.870 0.101 0.000 1.092 624 L CA 1.164 56.073 54.840 0.115 0.000 0.759 624 L CB -0.295 41.797 42.059 0.055 0.000 0.903 624 L HN 0.452 nan 8.230 nan 0.000 0.435 625 W N 1.660 122.961 121.300 0.002 0.000 2.333 625 W HA -0.258 4.402 4.660 -0.001 0.000 0.316 625 W C 2.359 178.832 176.519 -0.076 0.000 1.215 625 W CA 2.460 59.796 57.345 -0.015 0.000 1.278 625 W CB -0.519 28.968 29.460 0.045 0.000 1.154 625 W HN 0.314 nan 8.180 nan 0.000 0.486 626 I N -1.488 118.849 120.570 -0.387 0.000 2.493 626 I HA -0.194 3.975 4.170 -0.001 0.000 0.254 626 I C 2.137 178.040 176.117 -0.357 0.000 1.160 626 I CA 1.657 62.594 61.300 -0.605 0.000 1.445 626 I CB -0.838 36.775 38.000 -0.646 0.000 1.086 626 I HN 0.045 nan 8.210 nan 0.000 0.433 627 I N 1.334 121.735 120.570 -0.283 0.000 2.233 627 I HA -0.213 3.956 4.170 -0.001 0.000 0.243 627 I C 2.610 178.562 176.117 -0.275 0.000 1.093 627 I CA 1.333 62.485 61.300 -0.246 0.000 1.380 627 I CB -0.299 37.589 38.000 -0.187 0.000 1.067 627 I HN 0.162 nan 8.210 nan 0.000 0.413 628 K N 0.827 121.055 120.400 -0.288 0.000 2.148 628 K HA -0.119 4.200 4.320 -0.001 0.000 0.204 628 K C 1.953 178.346 176.600 -0.344 0.000 1.050 628 K CA 1.663 57.718 56.287 -0.386 0.000 0.942 628 K CB -0.450 31.802 32.500 -0.415 0.000 0.724 628 K HN 0.184 nan 8.250 nan 0.000 0.446 629 T N 0.645 114.999 114.554 -0.335 0.000 2.674 629 T HA -0.151 4.198 4.350 -0.001 0.000 0.265 629 T C 1.568 176.090 174.700 -0.297 0.000 1.039 629 T CA 1.562 63.460 62.100 -0.337 0.000 1.150 629 T CB -0.265 68.305 68.868 -0.495 0.000 0.864 629 T HN 0.412 nan 8.240 nan 0.000 0.427 630 E N 0.862 120.919 120.200 -0.239 0.000 2.110 630 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 630 E C 2.225 178.715 176.600 -0.183 0.000 0.988 630 E CA 1.258 57.533 56.400 -0.208 0.000 0.804 630 E CB -0.080 29.492 29.700 -0.213 0.000 0.745 630 E HN 0.629 nan 8.360 nan 0.000 0.458 631 E N -0.004 120.065 120.200 -0.218 0.000 2.118 631 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 631 E C 2.136 178.607 176.600 -0.215 0.000 0.992 631 E CA 1.353 57.625 56.400 -0.213 0.000 0.804 631 E CB -0.037 29.498 29.700 -0.275 0.000 0.741 631 E HN 0.304 nan 8.360 nan 0.000 0.458 632 M N 0.071 119.519 119.600 -0.254 0.000 2.200 632 M HA -0.078 4.401 4.480 -0.001 0.000 0.265 632 M C 2.200 178.380 176.300 -0.199 0.000 1.066 632 M CA 0.928 56.090 55.300 -0.230 0.000 1.127 632 M CB 0.006 32.461 32.600 -0.243 0.000 1.379 632 M HN 0.199 nan 8.290 nan 0.000 0.420 633 L N -0.788 120.285 121.223 -0.249 0.000 2.046 633 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 633 L C 2.320 179.122 176.870 -0.113 0.000 1.077 633 L CA 0.845 55.516 54.840 -0.282 0.000 0.747 633 L CB -0.639 41.034 42.059 -0.644 0.000 0.896 633 L HN 0.127 nan 8.230 nan 0.000 0.432 634 V N -0.376 119.507 119.914 -0.052 0.000 2.548 634 V HA -0.207 3.913 4.120 -0.001 0.000 0.249 634 V C 2.197 178.266 176.094 -0.042 0.000 1.055 634 V CA 1.434 63.739 62.300 0.009 0.000 1.065 634 V CB -0.390 31.441 31.823 0.012 0.000 0.681 634 V HN 0.442 nan 8.190 nan 0.000 0.462 635 E N -0.098 120.053 120.200 -0.082 0.000 2.274 635 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 635 E C 1.878 178.437 176.600 -0.069 0.000 0.996 635 E CA 0.588 56.938 56.400 -0.083 0.000 0.840 635 E CB -0.011 29.623 29.700 -0.110 0.000 0.772 635 E HN 0.562 nan 8.360 nan 0.000 0.491 636 K N -0.690 119.668 120.400 -0.072 0.000 2.444 636 K HA 0.072 4.391 4.320 -0.001 0.000 0.193 636 K C 1.011 177.588 176.600 -0.040 0.000 1.024 636 K CA 0.502 56.752 56.287 -0.061 0.000 1.077 636 K CB 0.808 33.261 32.500 -0.079 0.000 0.833 636 K HN 0.212 nan 8.250 nan 0.000 0.517 637 G N 0.932 109.716 108.800 -0.027 0.000 2.176 637 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.232 637 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.232 637 G C -0.168 174.744 174.900 0.019 0.000 0.986 637 G CA -0.496 44.598 45.100 -0.010 0.000 0.643 637 G HN 0.030 nan 8.290 nan 0.000 0.522 638 L N 1.061 122.314 121.223 0.050 0.000 2.426 638 L HA 0.508 4.847 4.340 -0.001 0.000 0.271 638 L C 0.769 177.764 176.870 0.209 0.000 1.169 638 L CA 0.245 55.172 54.840 0.145 0.000 0.836 638 L CB 1.077 43.247 42.059 0.185 0.000 1.112 638 L HN 0.292 nan 8.230 nan 0.000 0.465 639 K N 2.170 122.635 120.400 0.109 0.000 2.206 639 K HA 0.233 4.552 4.320 -0.001 0.000 0.264 639 K C -0.706 175.659 176.600 -0.392 0.000 0.967 639 K CA -0.582 55.676 56.287 -0.048 0.000 0.844 639 K CB 0.526 32.998 32.500 -0.046 0.000 1.099 639 K HN 0.684 nan 8.250 nan 0.000 0.441 640 H N 2.466 121.139 119.070 -0.662 0.000 2.864 640 H HA 0.368 4.923 4.556 -0.001 0.000 0.281 640 H C -0.263 174.688 175.328 -0.628 0.000 1.093 640 H CA 0.198 55.587 56.048 -1.097 0.000 1.453 640 H CB 0.606 29.915 29.762 -0.755 0.000 1.462 640 H HN 0.901 nan 8.280 nan 0.000 0.480 641 G N 3.251 111.851 108.800 -0.333 0.000 2.352 641 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.305 641 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.305 641 G C -0.323 174.467 174.900 -0.183 0.000 1.537 641 G CA -0.849 44.066 45.100 -0.308 0.000 0.959 641 G HN 0.701 nan 8.290 nan 0.000 0.668 642 W N -0.012 121.205 121.300 -0.137 0.000 2.421 642 W HA 0.062 4.721 4.660 -0.001 0.000 0.270 642 W C 1.889 178.420 176.519 0.019 0.000 1.233 642 W CA 0.936 58.114 57.345 -0.279 0.000 1.226 642 W CB 0.341 29.560 29.460 -0.403 0.000 1.121 642 W HN 0.632 nan 8.180 nan 0.000 0.579 643 D N -1.345 119.194 120.400 0.231 0.000 2.460 643 D HA 0.214 4.853 4.640 -0.001 0.000 0.229 643 D C 0.897 177.297 176.300 0.168 0.000 1.170 643 D CA 0.230 54.349 54.000 0.198 0.000 0.827 643 D CB -0.416 40.452 40.800 0.113 0.000 0.973 643 D HN 0.095 nan 8.370 nan 0.000 0.496 644 G N -0.195 108.740 108.800 0.225 0.000 3.366 644 G HA2 0.177 4.136 3.960 -0.001 0.000 0.179 644 G HA3 0.177 4.136 3.960 -0.001 0.000 0.179 644 G C 0.057 175.062 174.900 0.175 0.000 1.143 644 G CA -0.266 44.912 45.100 0.129 0.000 0.810 644 G HN 0.035 nan 8.290 nan 0.000 0.697 645 D N -0.859 119.581 120.400 0.067 0.000 2.482 645 D HA 0.213 4.852 4.640 -0.001 0.000 0.251 645 D C 0.047 176.361 176.300 0.022 0.000 1.073 645 D CA 0.549 54.557 54.000 0.012 0.000 0.892 645 D CB 1.247 42.093 40.800 0.078 0.000 1.202 645 D HN 0.287 nan 8.370 nan 0.000 0.496 646 F N 0.075 120.035 119.950 0.017 0.000 2.662 646 F HA 0.764 5.290 4.527 -0.001 0.000 0.312 646 F C -1.879 173.903 175.800 -0.030 0.000 1.113 646 F CA -1.632 56.371 58.000 0.005 0.000 0.951 646 F CB 1.659 40.569 39.000 -0.150 0.000 1.344 646 F HN -0.161 nan 8.300 nan 0.000 0.462 647 A N 1.475 124.284 122.820 -0.017 0.000 2.456 647 A HA 0.599 4.918 4.320 -0.001 0.000 0.288 647 A C -2.243 175.291 177.584 -0.084 0.000 1.042 647 A CA -0.593 51.255 52.037 -0.314 0.000 0.738 647 A CB 0.330 18.634 19.000 -1.159 0.000 1.266 647 A HN 0.693 nan 8.150 nan 0.000 0.407 648 Y N 2.446 122.681 120.300 -0.107 0.000 2.544 648 Y HA 0.201 4.750 4.550 -0.001 0.000 0.330 648 Y C 1.503 177.259 175.900 -0.240 0.000 1.136 648 Y CA 0.282 58.299 58.100 -0.138 0.000 1.417 648 Y CB 0.704 39.147 38.460 -0.028 0.000 1.229 648 Y HN 0.725 nan 8.280 nan 0.000 0.532 649 M N 2.011 121.439 119.600 -0.287 0.000 2.653 649 M HA 0.408 4.887 4.480 -0.001 0.000 0.259 649 M C 0.288 176.352 176.300 -0.393 0.000 1.244 649 M CA 0.420 55.415 55.300 -0.508 0.000 1.163 649 M CB 0.681 32.580 32.600 -1.168 0.000 1.309 649 M HN 0.556 nan 8.290 nan 0.000 0.509 650 A N -0.271 122.362 122.820 -0.312 0.000 2.605 650 A HA 0.545 4.864 4.320 -0.001 0.000 0.294 650 A C -2.639 174.981 177.584 0.060 0.000 1.062 650 A CA -0.444 51.558 52.037 -0.059 0.000 0.682 650 A CB 0.878 19.846 19.000 -0.054 0.000 1.278 650 A HN 0.362 nan 8.150 nan 0.000 0.410 651 W N 2.339 123.632 121.300 -0.011 0.000 2.543 651 W HA 0.594 5.253 4.660 -0.002 0.000 0.318 651 W C -1.773 174.764 176.519 0.031 0.000 1.002 651 W CA -0.880 56.479 57.345 0.024 0.000 1.302 651 W CB 1.632 31.147 29.460 0.092 0.000 1.299 651 W HN 0.486 nan 8.180 nan 0.000 0.424 652 V N 9.419 129.225 119.914 -0.179 0.000 2.204 652 V HA 0.216 4.335 4.120 -0.001 0.000 0.264 652 V C 0.780 176.614 176.094 -0.434 0.000 1.106 652 V CA -0.032 62.000 62.300 -0.446 0.000 0.947 652 V CB -0.287 31.477 31.823 -0.099 0.000 1.164 652 V HN 0.824 nan 8.190 nan 0.000 0.461 653 H N 2.396 121.103 119.070 -0.605 0.000 4.080 653 H HA -0.221 4.334 4.556 -0.001 0.000 0.083 653 H C 1.199 176.543 175.328 0.027 0.000 0.599 653 H CA 2.199 58.021 56.048 -0.376 0.000 1.322 653 H CB -0.890 28.781 29.762 -0.152 0.000 1.340 653 H HN 0.830 nan 8.280 nan 0.000 0.865 654 D N 1.933 122.511 120.400 0.297 0.000 2.623 654 D HA 0.237 4.876 4.640 -0.001 0.000 0.252 654 D C 0.188 176.766 176.300 0.464 0.000 1.294 654 D CA 0.148 54.388 54.000 0.400 0.000 0.824 654 D CB 0.643 41.579 40.800 0.228 0.000 1.070 654 D HN 0.594 nan 8.370 nan 0.000 0.487 655 E N 0.998 121.484 120.200 0.478 0.000 2.292 655 E HA 0.490 4.839 4.350 -0.001 0.000 0.272 655 E C -0.941 175.895 176.600 0.394 0.000 0.881 655 E CA -0.914 55.741 56.400 0.424 0.000 0.754 655 E CB 2.184 32.031 29.700 0.245 0.000 1.201 655 E HN 0.272 nan 8.360 nan 0.000 0.425 656 I N 0.076 120.788 120.570 0.238 0.000 2.689 656 I HA 0.531 4.700 4.170 -0.001 0.000 0.299 656 I C -1.050 174.959 176.117 -0.179 0.000 1.059 656 I CA -0.959 60.315 61.300 -0.043 0.000 1.055 656 I CB 2.161 39.931 38.000 -0.383 0.000 1.243 656 I HN 0.263 nan 8.210 nan 0.000 0.425 657 Q N 4.647 124.244 119.800 -0.339 0.000 2.327 657 Q HA 0.582 4.921 4.340 -0.001 0.000 0.270 657 Q C -1.179 174.550 176.000 -0.452 0.000 1.022 657 Q CA -0.645 54.908 55.803 -0.416 0.000 0.773 657 Q CB 2.917 31.245 28.738 -0.683 0.000 1.251 657 Q HN 0.658 nan 8.270 nan 0.000 0.457 658 V N 1.029 120.744 119.914 -0.333 0.000 2.487 658 V HA 0.648 4.767 4.120 -0.001 0.000 0.298 658 V C 0.490 176.537 176.094 -0.077 0.000 1.028 658 V CA -1.002 61.141 62.300 -0.262 0.000 0.860 658 V CB 1.967 33.606 31.823 -0.306 0.000 0.991 658 V HN 0.801 nan 8.190 nan 0.000 0.427 659 G N 2.459 111.277 108.800 0.030 0.000 2.403 659 G HA2 0.442 4.401 3.960 -0.001 0.000 0.259 659 G HA3 0.442 4.401 3.960 -0.001 0.000 0.259 659 G C -0.440 174.718 174.900 0.431 0.000 1.244 659 G CA -0.080 45.222 45.100 0.337 0.000 0.849 659 G HN 0.800 nan 8.290 nan 0.000 0.532 660 C N 2.343 121.823 119.300 0.301 0.000 2.482 660 C HA 0.434 4.894 4.460 -0.001 0.000 0.317 660 C C 1.641 176.188 174.990 -0.738 0.000 1.197 660 C CA -0.784 58.150 59.018 -0.141 0.000 1.432 660 C CB 1.704 29.384 27.740 -0.101 0.000 2.062 660 C HN 1.066 nan 8.230 nan 0.000 0.471 661 R N 1.246 120.853 120.500 -1.488 0.000 2.127 661 R HA -0.076 4.263 4.340 -0.001 0.000 0.238 661 R C 0.852 176.716 176.300 -0.727 0.000 1.134 661 R CA 1.949 57.015 56.100 -1.723 0.000 0.975 661 R CB 0.140 29.804 30.300 -1.059 0.000 0.865 661 R HN 0.932 nan 8.270 nan 0.000 0.447 662 T N -4.710 109.587 114.554 -0.429 0.000 2.816 662 T HA 0.204 4.553 4.350 -0.001 0.000 0.299 662 T C 0.346 174.957 174.700 -0.149 0.000 1.230 662 T CA -0.962 61.003 62.100 -0.225 0.000 1.007 662 T CB 1.741 70.511 68.868 -0.163 0.000 1.289 662 T HN 0.073 nan 8.240 nan 0.000 0.508 663 E N 0.067 120.211 120.200 -0.093 0.000 2.150 663 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 663 E C 1.649 178.212 176.600 -0.063 0.000 0.985 663 E CA 1.275 57.638 56.400 -0.062 0.000 0.814 663 E CB 0.029 29.706 29.700 -0.038 0.000 0.752 663 E HN 0.797 nan 8.360 nan 0.000 0.466 664 E N 1.425 121.584 120.200 -0.068 0.000 2.077 664 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 664 E C 1.861 178.415 176.600 -0.075 0.000 0.989 664 E CA 0.980 57.343 56.400 -0.062 0.000 0.800 664 E CB -0.197 29.468 29.700 -0.058 0.000 0.746 664 E HN 0.225 nan 8.360 nan 0.000 0.452 665 I N 0.323 120.835 120.570 -0.097 0.000 2.315 665 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 665 I C 2.326 178.378 176.117 -0.109 0.000 1.117 665 I CA 0.927 62.163 61.300 -0.107 0.000 1.404 665 I CB -0.351 37.571 38.000 -0.130 0.000 1.071 665 I HN 0.227 nan 8.210 nan 0.000 0.419 666 A N -0.010 122.752 122.820 -0.096 0.000 1.933 666 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 666 A C 2.311 179.853 177.584 -0.070 0.000 1.175 666 A CA 1.718 53.708 52.037 -0.078 0.000 0.628 666 A CB -0.657 18.312 19.000 -0.051 0.000 0.814 666 A HN 0.499 nan 8.150 nan 0.000 0.444 667 Q N -0.230 119.534 119.800 -0.060 0.000 2.084 667 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 667 Q C 1.956 177.920 176.000 -0.061 0.000 0.978 667 Q CA 1.993 57.767 55.803 -0.047 0.000 0.844 667 Q CB -0.181 28.534 28.738 -0.038 0.000 0.898 667 Q HN 0.424 nan 8.270 nan 0.000 0.426 668 V N 0.113 119.979 119.914 -0.081 0.000 2.427 668 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 668 V C 2.336 178.350 176.094 -0.134 0.000 1.051 668 V CA 1.284 63.525 62.300 -0.098 0.000 1.048 668 V CB -0.294 31.464 31.823 -0.108 0.000 0.666 668 V HN 0.239 nan 8.190 nan 0.000 0.456 669 V N -0.014 119.800 119.914 -0.166 0.000 2.295 669 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 669 V C 2.190 178.197 176.094 -0.145 0.000 1.049 669 V CA 2.251 64.418 62.300 -0.222 0.000 1.024 669 V CB -0.487 31.190 31.823 -0.244 0.000 0.648 669 V HN 0.438 nan 8.190 nan 0.000 0.447 670 I N -0.031 120.487 120.570 -0.086 0.000 2.179 670 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 670 I C 2.594 178.707 176.117 -0.006 0.000 1.088 670 I CA 1.818 63.102 61.300 -0.026 0.000 1.357 670 I CB -0.490 37.506 38.000 -0.008 0.000 1.051 670 I HN 0.415 nan 8.210 nan 0.000 0.409 671 E N 0.265 120.450 120.200 -0.025 0.000 2.077 671 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 671 E C 2.116 178.707 176.600 -0.015 0.000 0.989 671 E CA 1.813 58.205 56.400 -0.013 0.000 0.800 671 E CB -0.281 29.404 29.700 -0.026 0.000 0.746 671 E HN 0.477 nan 8.360 nan 0.000 0.452 672 T N 1.145 115.665 114.554 -0.057 0.000 2.777 672 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 672 T C 2.070 176.752 174.700 -0.029 0.000 1.040 672 T CA 1.148 63.202 62.100 -0.077 0.000 1.141 672 T CB -0.211 68.561 68.868 -0.160 0.000 0.868 672 T HN 0.261 nan 8.240 nan 0.000 0.444 673 A N 1.287 124.103 122.820 -0.007 0.000 1.972 673 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 673 A C 2.262 180.053 177.584 0.346 0.000 1.169 673 A CA 1.921 54.045 52.037 0.145 0.000 0.635 673 A CB -0.639 18.451 19.000 0.149 0.000 0.810 673 A HN 0.447 nan 8.150 nan 0.000 0.446 674 Q N 0.255 120.164 119.800 0.181 0.000 2.123 674 Q HA -0.127 4.212 4.340 -0.001 0.000 0.199 674 Q C 1.748 177.822 176.000 0.123 0.000 0.966 674 Q CA 2.090 57.975 55.803 0.137 0.000 0.845 674 Q CB -0.347 28.437 28.738 0.076 0.000 0.907 674 Q HN 0.752 nan 8.270 nan 0.000 0.439 675 E N -0.119 120.140 120.200 0.099 0.000 2.072 675 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 675 E C 1.937 178.629 176.600 0.153 0.000 0.985 675 E CA 0.904 57.360 56.400 0.094 0.000 0.801 675 E CB -0.253 29.473 29.700 0.042 0.000 0.750 675 E HN 0.487 nan 8.360 nan 0.000 0.452 676 A N 1.276 124.190 122.820 0.157 0.000 1.933 676 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 676 A C 2.149 179.958 177.584 0.376 0.000 1.175 676 A CA 1.598 53.758 52.037 0.206 0.000 0.628 676 A CB -0.410 18.663 19.000 0.121 0.000 0.814 676 A HN 0.187 nan 8.150 nan 0.000 0.444 677 M N -0.321 119.484 119.600 0.341 0.000 2.117 677 M HA -0.091 4.388 4.480 -0.001 0.000 0.262 677 M C 1.953 178.301 176.300 0.079 0.000 1.065 677 M CA 1.477 56.832 55.300 0.092 0.000 1.114 677 M CB -0.375 32.110 32.600 -0.192 0.000 1.361 677 M HN 0.281 nan 8.290 nan 0.000 0.408 678 R N -1.395 119.168 120.500 0.105 0.000 2.120 678 R HA -0.182 4.157 4.340 -0.001 0.000 0.234 678 R C 2.102 178.467 176.300 0.108 0.000 1.123 678 R CA 1.671 57.820 56.100 0.082 0.000 0.975 678 R CB -1.509 28.841 30.300 0.082 0.000 0.866 678 R HN 0.662 nan 8.270 nan 0.000 0.446 679 W N 1.232 122.528 121.300 -0.005 0.000 2.379 679 W HA -0.172 4.487 4.660 -0.001 0.000 0.307 679 W C 1.951 178.441 176.519 -0.048 0.000 1.200 679 W CA 1.158 58.489 57.345 -0.023 0.000 1.297 679 W CB -0.176 29.259 29.460 -0.041 0.000 1.140 679 W HN -0.225 nan 8.180 nan 0.000 0.507 680 V N 1.138 121.189 119.914 0.228 0.000 2.295 680 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 680 V C 2.468 178.479 176.094 -0.138 0.000 1.049 680 V CA 2.147 64.434 62.300 -0.022 0.000 1.024 680 V CB -1.728 30.149 31.823 0.090 0.000 0.648 680 V HN 0.431 nan 8.190 nan 0.000 0.447 681 G N -0.387 108.371 108.800 -0.071 0.000 2.442 681 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.219 681 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.219 681 G C 1.311 176.210 174.900 -0.002 0.000 1.141 681 G CA 1.305 46.382 45.100 -0.039 0.000 0.763 681 G HN 0.627 nan 8.290 nan 0.000 0.554 682 D N -0.744 119.593 120.400 -0.106 0.000 2.123 682 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 682 D C 2.083 178.239 176.300 -0.240 0.000 0.976 682 D CA 1.045 54.957 54.000 -0.146 0.000 0.831 682 D CB -0.248 40.436 40.800 -0.195 0.000 0.974 682 D HN 0.421 nan 8.370 nan 0.000 0.469 683 H N -1.079 117.632 119.070 -0.597 0.000 2.353 683 H HA -0.133 4.422 4.556 -0.001 0.000 0.298 683 H C 0.599 175.718 175.328 -0.348 0.000 1.103 683 H CA 1.724 57.325 56.048 -0.744 0.000 1.293 683 H CB -0.093 28.873 29.762 -1.327 0.000 1.372 683 H HN 0.274 nan 8.280 nan 0.000 0.501 684 W N 1.454 122.624 121.300 -0.216 0.000 3.015 684 W HA 0.292 4.951 4.660 -0.002 0.000 0.429 684 W C -0.053 176.454 176.519 -0.019 0.000 0.976 684 W CA -0.412 56.846 57.345 -0.145 0.000 2.086 684 W CB -0.650 28.802 29.460 -0.014 0.000 1.125 684 W HN 0.254 nan 8.180 nan 0.000 0.721 685 N N 0.589 119.367 118.700 0.130 0.000 2.707 685 N HA -0.284 4.456 4.740 -0.001 0.000 0.253 685 N C -0.314 175.320 175.510 0.207 0.000 0.998 685 N CA 0.993 54.113 53.050 0.117 0.000 0.751 685 N CB -1.916 36.616 38.487 0.075 0.000 0.920 685 N HN 0.024 nan 8.380 nan 0.000 0.539 686 F N 1.150 121.114 119.950 0.023 0.000 2.572 686 F HA 0.008 4.534 4.527 -0.001 0.000 0.370 686 F C 2.029 177.905 175.800 0.127 0.000 1.103 686 F CA -0.060 57.929 58.000 -0.018 0.000 1.286 686 F CB 0.610 39.545 39.000 -0.109 0.000 1.105 686 F HN -0.029 nan 8.300 nan 0.000 0.583 687 R N 2.820 123.381 120.500 0.101 0.000 2.319 687 R HA 0.059 4.398 4.340 -0.001 0.000 0.204 687 R C -0.448 175.854 176.300 0.003 0.000 0.954 687 R CA 0.220 56.318 56.100 -0.005 0.000 1.066 687 R CB -0.531 29.652 30.300 -0.196 0.000 0.991 687 R HN 0.429 nan 8.270 nan 0.000 0.486 688 C N 0.897 120.249 119.300 0.087 0.000 2.535 688 C HA 0.370 4.829 4.460 -0.001 0.000 0.319 688 C C -0.302 174.826 174.990 0.230 0.000 1.171 688 C CA -1.376 57.727 59.018 0.141 0.000 1.394 688 C CB 0.507 28.334 27.740 0.146 0.000 1.990 688 C HN 0.319 nan 8.230 nan 0.000 0.466 689 L N 5.747 127.044 121.223 0.124 0.000 2.490 689 L HA 0.389 4.729 4.340 -0.001 0.000 0.274 689 L C -0.428 176.491 176.870 0.081 0.000 1.201 689 L CA 0.867 55.763 54.840 0.093 0.000 0.869 689 L CB 0.368 42.454 42.059 0.046 0.000 1.123 689 L HN 0.610 nan 8.230 nan 0.000 0.484 690 L N 4.715 125.965 121.223 0.045 0.000 2.325 690 L HA 0.563 4.903 4.340 -0.001 0.000 0.278 690 L C -0.468 176.378 176.870 -0.040 0.000 1.023 690 L CA -0.688 54.142 54.840 -0.015 0.000 0.811 690 L CB 1.547 43.552 42.059 -0.089 0.000 1.249 690 L HN 0.603 nan 8.230 nan 0.000 0.431 691 D N 0.202 120.566 120.400 -0.060 0.000 2.592 691 D HA 0.627 5.266 4.640 -0.001 0.000 0.263 691 D C -0.771 175.471 176.300 -0.096 0.000 1.132 691 D CA -0.141 53.826 54.000 -0.056 0.000 0.996 691 D CB 2.763 43.551 40.800 -0.020 0.000 1.442 691 D HN 0.583 nan 8.370 nan 0.000 0.486 692 T N -2.903 111.619 114.554 -0.052 0.000 2.883 692 T HA 0.584 4.933 4.350 -0.001 0.000 0.301 692 T C -0.968 173.753 174.700 0.034 0.000 1.158 692 T CA -0.882 61.198 62.100 -0.034 0.000 1.007 692 T CB 2.602 71.467 68.868 -0.006 0.000 1.186 692 T HN 0.330 nan 8.240 nan 0.000 0.499 693 E N 0.376 120.617 120.200 0.068 0.000 2.199 693 E HA 0.602 4.951 4.350 -0.001 0.000 0.265 693 E C -0.428 176.237 176.600 0.109 0.000 0.882 693 E CA -0.944 55.504 56.400 0.079 0.000 0.759 693 E CB 1.358 31.105 29.700 0.079 0.000 1.148 693 E HN 1.015 nan 8.360 nan 0.000 0.412 694 G N 3.242 112.097 108.800 0.091 0.000 2.453 694 G HA2 0.564 4.523 3.960 -0.001 0.000 0.323 694 G HA3 0.564 4.523 3.960 -0.001 0.000 0.323 694 G C -1.139 173.811 174.900 0.082 0.000 1.198 694 G CA -0.586 44.571 45.100 0.094 0.000 0.959 694 G HN 0.418 nan 8.290 nan 0.000 0.482 695 K N 0.866 121.319 120.400 0.089 0.000 2.468 695 K HA 0.429 4.748 4.320 -0.001 0.000 0.252 695 K C -1.025 175.617 176.600 0.070 0.000 0.932 695 K CA -0.676 55.662 56.287 0.084 0.000 0.794 695 K CB 2.975 35.544 32.500 0.115 0.000 1.241 695 K HN 0.500 nan 8.250 nan 0.000 0.428 696 M N 1.724 121.358 119.600 0.056 0.000 2.364 696 M HA 0.610 5.089 4.480 -0.001 0.000 0.334 696 M C -0.636 175.698 176.300 0.057 0.000 1.107 696 M CA -0.001 55.325 55.300 0.044 0.000 0.988 696 M CB 1.639 34.253 32.600 0.023 0.000 1.673 696 M HN 0.871 nan 8.290 nan 0.000 0.441 697 G N 3.528 112.366 108.800 0.064 0.000 2.430 697 G HA2 0.404 4.363 3.960 -0.001 0.000 0.300 697 G HA3 0.404 4.363 3.960 -0.001 0.000 0.300 697 G C -3.193 171.752 174.900 0.075 0.000 1.330 697 G CA -0.611 44.532 45.100 0.072 0.000 0.813 697 G HN 0.412 nan 8.290 nan 0.000 0.487 698 P HA 0.109 nan 4.420 nan 0.000 0.234 698 P C 0.095 177.430 177.300 0.059 0.000 1.175 698 P CA 0.830 63.958 63.100 0.046 0.000 0.801 698 P CB 0.297 32.004 31.700 0.011 0.000 0.891 699 N N -3.266 115.510 118.700 0.127 0.000 3.039 699 N HA 0.045 4.784 4.740 -0.001 0.000 0.257 699 N C -0.000 175.717 175.510 0.345 0.000 1.497 699 N CA -0.871 52.313 53.050 0.224 0.000 0.861 699 N CB -0.478 38.132 38.487 0.205 0.000 1.479 699 N HN -0.314 nan 8.380 nan 0.000 0.547 700 W N 0.308 121.747 121.300 0.232 0.000 2.465 700 W HA 0.230 4.889 4.660 -0.002 0.000 0.268 700 W C 1.801 178.421 176.519 0.168 0.000 1.242 700 W CA 1.534 59.005 57.345 0.209 0.000 1.248 700 W CB -1.111 28.446 29.460 0.161 0.000 1.118 700 W HN 0.785 nan 8.180 nan 0.000 0.587 701 A N -0.120 122.908 122.820 0.347 0.000 1.930 701 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 701 A C 2.036 179.738 177.584 0.196 0.000 1.175 701 A CA 1.786 53.949 52.037 0.209 0.000 0.627 701 A CB -0.675 18.422 19.000 0.161 0.000 0.815 701 A HN 0.249 nan 8.150 nan 0.000 0.443 702 I N -1.366 119.329 120.570 0.208 0.000 2.867 702 I HA -0.094 4.075 4.170 -0.001 0.000 0.265 702 I C 0.989 177.222 176.117 0.194 0.000 1.162 702 I CA 0.303 61.702 61.300 0.165 0.000 1.471 702 I CB 0.048 38.126 38.000 0.129 0.000 1.123 702 I HN 0.225 nan 8.210 nan 0.000 0.440 703 C N 0.651 120.113 119.300 0.269 0.000 2.480 703 C HA 0.252 4.711 4.460 -0.001 0.000 0.317 703 C C 0.637 175.876 174.990 0.414 0.000 1.300 703 C CA -0.043 59.142 59.018 0.277 0.000 1.706 703 C CB -2.344 25.529 27.740 0.222 0.000 1.840 703 C HN 0.464 nan 8.230 nan 0.000 0.596 704 H N 0.000 119.228 119.070 0.263 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 704 H CA 0.000 56.194 56.048 0.243 0.000 1.023 704 H CB 0.000 29.991 29.762 0.381 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496