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 1x9m_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 TPKVGGIFKX DATA SEQUENCE XXXXXXXXXX XXCELDTREY 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 XXXXXVKWKR 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 0.000 176.373 176.300 0.121 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 I N 1.567 122.171 120.570 0.057 0.000 2.828 2 I HA 0.897 5.066 4.170 -0.002 0.000 0.302 2 I C -1.526 174.612 176.117 0.034 0.000 1.101 2 I CA -1.009 60.315 61.300 0.039 0.000 1.031 2 I CB 2.363 40.332 38.000 -0.051 0.000 1.231 2 I HN 0.424 nan 8.210 nan 0.000 0.427 3 V N 3.021 122.975 119.914 0.067 0.000 2.555 3 V HA 0.741 4.860 4.120 -0.002 0.000 0.302 3 V C -0.099 175.996 176.094 0.000 0.000 1.038 3 V CA -0.257 62.064 62.300 0.036 0.000 0.887 3 V CB 1.501 33.393 31.823 0.114 0.000 0.991 3 V HN 0.914 nan 8.190 nan 0.000 0.434 4 S N 2.346 117.975 115.700 -0.117 0.000 2.596 4 S HA 0.743 5.212 4.470 -0.002 0.000 0.270 4 S C -2.070 172.662 174.600 0.220 0.000 1.155 4 S CA -0.503 57.706 58.200 0.016 0.000 0.827 4 S CB 2.158 65.314 63.200 -0.073 0.000 1.130 4 S HN 0.991 nan 8.310 nan 0.000 0.467 5 D N 0.209 120.866 120.400 0.429 0.000 2.654 5 D HA 0.602 5.241 4.640 -0.002 0.000 0.231 5 D C -1.111 175.411 176.300 0.370 0.000 1.239 5 D CA -0.500 53.798 54.000 0.496 0.000 0.790 5 D CB 1.408 42.412 40.800 0.339 0.000 1.480 5 D HN 0.743 nan 8.370 nan 0.000 0.442 6 I N -1.392 119.357 120.570 0.299 0.000 3.042 6 I HA 0.764 4.933 4.170 -0.002 0.000 0.310 6 I C -1.185 174.971 176.117 0.065 0.000 1.117 6 I CA -0.723 60.633 61.300 0.095 0.000 1.003 6 I CB 2.381 40.451 38.000 0.117 0.000 1.228 6 I HN 0.098 nan 8.210 nan 0.000 0.443 7 E N 2.844 122.999 120.200 -0.074 0.000 2.210 7 E HA 0.777 5.126 4.350 -0.002 0.000 0.266 7 E C -1.010 175.559 176.600 -0.051 0.000 0.883 7 E CA -0.723 55.706 56.400 0.047 0.000 0.761 7 E CB 2.237 32.043 29.700 0.177 0.000 1.156 7 E HN 0.892 nan 8.360 nan 0.000 0.412 8 A N 2.196 125.017 122.820 0.001 0.000 2.524 8 A HA 0.431 4.750 4.320 -0.002 0.000 0.286 8 A C 0.461 177.996 177.584 -0.082 0.000 1.203 8 A CA -0.666 51.271 52.037 -0.167 0.000 0.736 8 A CB 0.829 19.777 19.000 -0.085 0.000 1.322 8 A HN 0.582 nan 8.150 nan 0.000 0.424 9 N N -0.150 118.416 118.700 -0.224 0.000 2.461 9 N HA 0.379 5.119 4.740 -0.002 0.000 0.188 9 N C 0.055 175.620 175.510 0.092 0.000 1.134 9 N CA 1.023 54.124 53.050 0.084 0.000 0.878 9 N CB 0.180 38.703 38.487 0.059 0.000 0.972 9 N HN 1.261 nan 8.380 nan 0.000 0.456 10 A N -0.536 122.259 122.820 -0.042 0.000 2.483 10 A HA 0.479 4.798 4.320 -0.002 0.000 0.294 10 A C -1.094 176.444 177.584 -0.077 0.000 1.077 10 A CA -0.878 51.116 52.037 -0.072 0.000 0.633 10 A CB 0.025 19.023 19.000 -0.004 0.000 1.318 10 A HN 0.082 nan 8.150 nan 0.000 0.455 11 L N 0.885 122.053 121.223 -0.092 0.000 2.476 11 L HA 0.115 4.454 4.340 -0.002 0.000 0.264 11 L C 1.912 178.845 176.870 0.106 0.000 1.224 11 L CA -0.349 54.472 54.840 -0.033 0.000 0.821 11 L CB 0.192 42.198 42.059 -0.087 0.000 1.101 11 L HN 0.912 nan 8.230 nan 0.000 0.488 12 L N 2.302 123.659 121.223 0.223 0.000 2.034 12 L HA -0.301 4.038 4.340 -0.002 0.000 0.217 12 L C 2.783 179.632 176.870 -0.035 0.000 1.077 12 L CA 2.701 57.573 54.840 0.054 0.000 0.769 12 L CB -0.951 41.113 42.059 0.009 0.000 0.890 12 L HN 0.851 nan 8.230 nan 0.000 0.435 13 E N -1.100 119.071 120.200 -0.049 0.000 2.130 13 E HA -0.236 4.113 4.350 -0.002 0.000 0.196 13 E C 1.912 178.474 176.600 -0.063 0.000 0.998 13 E CA 1.832 58.181 56.400 -0.085 0.000 0.806 13 E CB -1.073 28.565 29.700 -0.104 0.000 0.738 13 E HN 0.808 nan 8.360 nan 0.000 0.459 14 S N -1.358 114.315 115.700 -0.044 0.000 2.846 14 S HA 0.433 4.902 4.470 -0.002 0.000 0.249 14 S C 0.359 174.939 174.600 -0.033 0.000 1.028 14 S CA 0.282 58.459 58.200 -0.038 0.000 1.043 14 S CB -0.029 63.152 63.200 -0.032 0.000 0.990 14 S HN 0.502 nan 8.310 nan 0.000 0.564 15 V N 3.563 123.456 119.914 -0.036 0.000 2.585 15 V HA 0.353 4.472 4.120 -0.002 0.000 0.296 15 V C 1.206 177.264 176.094 -0.061 0.000 1.035 15 V CA 1.406 63.679 62.300 -0.045 0.000 1.084 15 V CB 1.133 32.926 31.823 -0.050 0.000 0.953 15 V HN 0.741 nan 8.190 nan 0.000 0.483 16 T N 2.490 117.004 114.554 -0.066 0.000 2.986 16 T HA 0.337 4.686 4.350 -0.002 0.000 0.264 16 T C 0.296 174.945 174.700 -0.084 0.000 0.964 16 T CA -0.147 61.917 62.100 -0.061 0.000 0.895 16 T CB 0.094 68.937 68.868 -0.041 0.000 1.163 16 T HN 0.552 nan 8.240 nan 0.000 0.517 17 K N 0.484 120.800 120.400 -0.141 0.000 2.501 17 K HA 0.574 4.893 4.320 -0.002 0.000 0.252 17 K C -1.935 174.466 176.600 -0.333 0.000 0.934 17 K CA -1.100 55.069 56.287 -0.197 0.000 0.797 17 K CB 2.020 34.432 32.500 -0.146 0.000 1.270 17 K HN 0.111 nan 8.250 nan 0.000 0.431 18 F N 4.514 124.135 119.950 -0.548 0.000 2.420 18 F HA 0.263 4.789 4.527 -0.002 0.000 0.352 18 F C 0.592 176.158 175.800 -0.390 0.000 1.108 18 F CA 0.176 57.785 58.000 -0.652 0.000 1.162 18 F CB 0.657 38.870 39.000 -1.312 0.000 1.118 18 F HN 0.716 nan 8.300 nan 0.000 0.510 19 H N 4.850 123.539 119.070 -0.634 0.000 2.379 19 H HA 0.201 4.756 4.556 -0.002 0.000 0.308 19 H C 0.470 175.311 175.328 -0.813 0.000 1.047 19 H CA 1.202 56.999 56.048 -0.418 0.000 1.371 19 H CB 0.085 29.823 29.762 -0.040 0.000 1.449 19 H HN 0.673 nan 8.280 nan 0.000 0.564 20 C N -1.983 116.708 119.300 -1.015 0.000 3.295 20 C HA 0.849 5.308 4.460 -0.002 0.000 0.341 20 C C 0.174 174.667 174.990 -0.828 0.000 1.418 20 C CA -0.403 58.100 59.018 -0.858 0.000 1.240 20 C CB 1.576 29.169 27.740 -0.245 0.000 1.562 20 C HN 0.577 nan 8.230 nan 0.000 0.457 21 G N -0.435 108.226 108.800 -0.233 0.000 2.720 21 G HA2 0.708 4.667 3.960 -0.002 0.000 0.295 21 G HA3 0.708 4.667 3.960 -0.002 0.000 0.295 21 G C -2.054 173.005 174.900 0.264 0.000 1.437 21 G CA -0.471 44.561 45.100 -0.113 0.000 0.886 21 G HN 1.386 nan 8.290 nan 0.000 0.509 22 V N 1.269 121.389 119.914 0.343 0.000 2.789 22 V HA 0.633 4.752 4.120 -0.002 0.000 0.311 22 V C -0.522 175.851 176.094 0.465 0.000 1.073 22 V CA -0.640 61.923 62.300 0.438 0.000 0.921 22 V CB 1.920 33.940 31.823 0.328 0.000 1.009 22 V HN 0.682 nan 8.190 nan 0.000 0.426 23 I N 3.794 124.644 120.570 0.468 0.000 2.533 23 I HA 0.419 4.588 4.170 -0.002 0.000 0.290 23 I C -1.633 174.592 176.117 0.179 0.000 1.056 23 I CA -0.756 60.725 61.300 0.301 0.000 1.057 23 I CB 2.181 40.338 38.000 0.262 0.000 1.240 23 I HN 0.675 nan 8.210 nan 0.000 0.423 24 Y N 5.903 126.153 120.300 -0.084 0.000 2.328 24 Y HA 0.406 4.955 4.550 -0.002 0.000 0.337 24 Y C -0.755 174.977 175.900 -0.280 0.000 0.966 24 Y CA -0.546 57.325 58.100 -0.381 0.000 1.136 24 Y CB 1.135 39.203 38.460 -0.652 0.000 1.170 24 Y HN 0.441 nan 8.280 nan 0.000 0.470 25 D N 4.878 124.722 120.400 -0.928 0.000 2.349 25 D HA 0.084 4.723 4.640 -0.002 0.000 0.232 25 D C 0.103 175.897 176.300 -0.843 0.000 1.071 25 D CA -0.113 53.528 54.000 -0.598 0.000 0.832 25 D CB 0.810 41.408 40.800 -0.337 0.000 1.086 25 D HN 0.733 nan 8.370 nan 0.000 0.504 26 Y N 1.628 121.672 120.300 -0.427 0.000 2.274 26 Y HA -0.218 4.331 4.550 -0.001 0.000 0.290 26 Y C 2.629 178.421 175.900 -0.180 0.000 1.145 26 Y CA 1.575 59.542 58.100 -0.220 0.000 1.203 26 Y CB 0.050 38.495 38.460 -0.024 0.000 0.984 26 Y HN 0.459 nan 8.280 nan 0.000 0.533 27 S N -1.590 114.091 115.700 -0.032 0.000 2.447 27 S HA -0.138 4.331 4.470 -0.002 0.000 0.233 27 S C 1.775 176.328 174.600 -0.078 0.000 1.006 27 S CA 1.425 59.604 58.200 -0.035 0.000 0.957 27 S CB -0.742 62.437 63.200 -0.035 0.000 0.773 27 S HN 0.524 nan 8.310 nan 0.000 0.507 28 T N -3.480 110.976 114.554 -0.162 0.000 2.959 28 T HA 0.637 4.987 4.350 -0.002 0.000 0.254 28 T C 1.082 175.668 174.700 -0.189 0.000 1.003 28 T CA 0.645 62.656 62.100 -0.148 0.000 0.950 28 T CB -0.088 68.693 68.868 -0.144 0.000 1.090 28 T HN 1.347 nan 8.240 nan 0.000 0.503 29 A N -0.063 122.545 122.820 -0.352 0.000 2.872 29 A HA 0.154 4.473 4.320 -0.002 0.000 0.273 29 A C 0.397 177.827 177.584 -0.256 0.000 1.442 29 A CA 1.457 53.295 52.037 -0.331 0.000 0.801 29 A CB -2.582 16.398 19.000 -0.033 0.000 1.031 29 A HN 1.530 nan 8.150 nan 0.000 0.582 30 E N -1.202 118.747 120.200 -0.418 0.000 2.244 30 E HA 0.698 5.047 4.350 -0.002 0.000 0.266 30 E C -0.793 175.677 176.600 -0.215 0.000 0.914 30 E CA -0.559 55.741 56.400 -0.168 0.000 0.794 30 E CB 0.850 30.501 29.700 -0.080 0.000 1.210 30 E HN 0.955 nan 8.360 nan 0.000 0.414 31 Y N 0.004 120.353 120.300 0.082 0.000 2.330 31 Y HA 0.523 5.072 4.550 -0.002 0.000 0.336 31 Y C 0.068 176.010 175.900 0.070 0.000 1.036 31 Y CA -0.655 57.524 58.100 0.131 0.000 1.125 31 Y CB 2.058 40.605 38.460 0.144 0.000 1.194 31 Y HN 0.411 nan 8.280 nan 0.000 0.469 32 V N 2.923 122.978 119.914 0.234 0.000 2.531 32 V HA 0.404 4.523 4.120 -0.002 0.000 0.301 32 V C -0.583 175.591 176.094 0.134 0.000 1.034 32 V CA -0.900 61.461 62.300 0.101 0.000 0.865 32 V CB 1.879 33.730 31.823 0.047 0.000 0.995 32 V HN 0.786 nan 8.190 nan 0.000 0.424 33 S N 3.859 119.556 115.700 -0.006 0.000 2.489 33 S HA 0.744 5.213 4.470 -0.002 0.000 0.291 33 S C -1.214 173.319 174.600 -0.112 0.000 1.151 33 S CA -0.378 57.864 58.200 0.071 0.000 1.082 33 S CB 0.819 64.066 63.200 0.077 0.000 1.019 33 S HN 0.543 nan 8.310 nan 0.000 0.492 34 Y N 1.480 121.870 120.300 0.150 0.000 2.331 34 Y HA 0.466 5.015 4.550 -0.002 0.000 0.334 34 Y C 0.754 176.687 175.900 0.056 0.000 0.960 34 Y CA -0.832 57.370 58.100 0.170 0.000 1.130 34 Y CB 1.055 39.716 38.460 0.334 0.000 1.164 34 Y HN 0.478 nan 8.280 nan 0.000 0.458 35 R N 3.313 123.859 120.500 0.077 0.000 2.541 35 R HA 0.326 4.665 4.340 -0.002 0.000 0.254 35 R C -1.659 174.585 176.300 -0.093 0.000 1.130 35 R CA -1.808 54.145 56.100 -0.245 0.000 1.152 35 R CB 0.045 30.168 30.300 -0.294 0.000 1.222 35 R HN 0.311 nan 8.270 nan 0.000 0.579 36 P HA -0.259 nan 4.420 nan 0.000 0.217 36 P C 0.855 178.250 177.300 0.159 0.000 1.158 36 P CA 1.878 64.973 63.100 -0.008 0.000 0.887 36 P CB 0.061 31.719 31.700 -0.070 0.000 0.792 37 S N -2.498 113.260 115.700 0.097 0.000 2.603 37 S HA -0.007 4.462 4.470 -0.002 0.000 0.220 37 S C 1.018 175.709 174.600 0.152 0.000 0.967 37 S CA 0.461 58.732 58.200 0.119 0.000 0.920 37 S CB -0.708 62.538 63.200 0.077 0.000 0.773 37 S HN 0.105 nan 8.310 nan 0.000 0.529 38 D N 0.500 121.033 120.400 0.221 0.000 2.340 38 D HA 0.199 4.838 4.640 -0.002 0.000 0.217 38 D C 0.877 177.366 176.300 0.316 0.000 1.081 38 D CA -0.190 53.979 54.000 0.281 0.000 0.842 38 D CB -0.192 40.824 40.800 0.361 0.000 0.934 38 D HN 0.315 nan 8.370 nan 0.000 0.511 39 F N 2.557 122.504 119.950 -0.006 0.000 2.091 39 F HA -0.139 4.387 4.527 -0.002 0.000 0.299 39 F C 2.217 177.832 175.800 -0.308 0.000 1.103 39 F CA 1.697 59.438 58.000 -0.432 0.000 1.228 39 F CB -0.684 37.999 39.000 -0.528 0.000 0.984 39 F HN 0.032 nan 8.300 nan 0.000 0.477 40 G N -0.728 107.927 108.800 -0.241 0.000 2.422 40 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.218 40 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.218 40 G C 1.816 176.588 174.900 -0.213 0.000 1.146 40 G CA 0.870 45.771 45.100 -0.331 0.000 0.769 40 G HN 0.623 nan 8.290 nan 0.000 0.547 41 A N -0.275 122.526 122.820 -0.032 0.000 1.968 41 A HA 0.074 4.393 4.320 -0.002 0.000 0.217 41 A C 2.127 179.704 177.584 -0.011 0.000 1.169 41 A CA 1.492 53.570 52.037 0.068 0.000 0.638 41 A CB -0.535 18.609 19.000 0.239 0.000 0.812 41 A HN 0.454 nan 8.150 nan 0.000 0.446 42 Y N 0.773 120.909 120.300 -0.274 0.000 2.114 42 Y HA -0.175 4.374 4.550 -0.002 0.000 0.284 42 Y C 1.916 177.520 175.900 -0.493 0.000 1.143 42 Y CA 1.909 59.589 58.100 -0.701 0.000 1.135 42 Y CB -0.399 37.737 38.460 -0.540 0.000 0.980 42 Y HN 0.207 nan 8.280 nan 0.000 0.499 43 L N -0.083 120.767 121.223 -0.621 0.000 2.079 43 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 43 L C 2.092 178.747 176.870 -0.357 0.000 1.081 43 L CA 1.544 55.944 54.840 -0.732 0.000 0.752 43 L CB -0.677 40.796 42.059 -0.976 0.000 0.896 43 L HN 0.218 nan 8.230 nan 0.000 0.433 44 D N 0.276 120.514 120.400 -0.271 0.000 2.117 44 D HA -0.158 4.481 4.640 -0.002 0.000 0.197 44 D C 2.253 178.482 176.300 -0.118 0.000 0.987 44 D CA 1.536 55.456 54.000 -0.133 0.000 0.829 44 D CB -0.050 40.699 40.800 -0.085 0.000 0.961 44 D HN 0.314 nan 8.370 nan 0.000 0.460 45 A N 0.636 123.347 122.820 -0.182 0.000 1.902 45 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 45 A C 2.395 179.876 177.584 -0.171 0.000 1.181 45 A CA 0.908 52.854 52.037 -0.152 0.000 0.623 45 A CB -0.725 18.174 19.000 -0.168 0.000 0.818 45 A HN 0.211 nan 8.150 nan 0.000 0.443 46 L N -0.783 120.285 121.223 -0.257 0.000 2.056 46 L HA -0.178 4.161 4.340 -0.002 0.000 0.207 46 L C 2.517 179.383 176.870 -0.006 0.000 1.078 46 L CA 1.540 56.308 54.840 -0.120 0.000 0.749 46 L CB -0.658 41.380 42.059 -0.035 0.000 0.901 46 L HN 0.474 nan 8.230 nan 0.000 0.433 47 E N 0.229 120.451 120.200 0.036 0.000 2.204 47 E HA -0.154 4.195 4.350 -0.002 0.000 0.194 47 E C 2.261 178.850 176.600 -0.018 0.000 0.989 47 E CA 0.917 57.329 56.400 0.020 0.000 0.824 47 E CB -0.055 29.676 29.700 0.051 0.000 0.756 47 E HN 0.483 nan 8.360 nan 0.000 0.477 48 A N 1.403 124.206 122.820 -0.028 0.000 1.930 48 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 48 A C 2.049 179.618 177.584 -0.025 0.000 1.175 48 A CA 1.502 53.523 52.037 -0.026 0.000 0.627 48 A CB -0.243 18.741 19.000 -0.027 0.000 0.815 48 A HN 0.116 nan 8.150 nan 0.000 0.443 49 E N -0.026 120.154 120.200 -0.033 0.000 2.106 49 E HA -0.094 4.255 4.350 -0.002 0.000 0.192 49 E C 1.723 178.313 176.600 -0.017 0.000 0.984 49 E CA 1.432 57.815 56.400 -0.028 0.000 0.806 49 E CB -0.323 29.352 29.700 -0.041 0.000 0.750 49 E HN 0.242 nan 8.360 nan 0.000 0.458 50 V N 0.782 120.678 119.914 -0.029 0.000 2.427 50 V HA -0.204 3.915 4.120 -0.002 0.000 0.248 50 V C 2.351 178.436 176.094 -0.016 0.000 1.051 50 V CA 1.638 63.914 62.300 -0.041 0.000 1.048 50 V CB -0.870 30.905 31.823 -0.079 0.000 0.666 50 V HN 0.447 nan 8.190 nan 0.000 0.456 51 A N 0.182 122.994 122.820 -0.014 0.000 1.972 51 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 51 A C 2.254 179.846 177.584 0.014 0.000 1.169 51 A CA 1.454 53.489 52.037 -0.003 0.000 0.635 51 A CB -0.431 18.564 19.000 -0.009 0.000 0.810 51 A HN 0.552 nan 8.150 nan 0.000 0.446 52 R N -1.166 119.343 120.500 0.015 0.000 2.313 52 R HA 0.199 4.538 4.340 -0.002 0.000 0.199 52 R C 1.091 177.422 176.300 0.052 0.000 0.958 52 R CA 0.455 56.568 56.100 0.021 0.000 1.047 52 R CB -0.174 30.130 30.300 0.007 0.000 0.955 52 R HN 0.654 nan 8.270 nan 0.000 0.481 53 G N 0.812 109.673 108.800 0.101 0.000 2.176 53 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.252 53 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.252 53 G C 0.344 175.380 174.900 0.227 0.000 1.024 53 G CA 0.032 45.270 45.100 0.231 0.000 0.755 53 G HN 0.544 nan 8.290 nan 0.000 0.507 54 G N -1.344 107.527 108.800 0.119 0.000 2.531 54 G HA2 0.766 4.725 3.960 -0.002 0.000 0.281 54 G HA3 0.766 4.725 3.960 -0.002 0.000 0.281 54 G C -0.198 174.725 174.900 0.039 0.000 1.382 54 G CA -0.942 44.194 45.100 0.060 0.000 1.045 54 G HN 0.724 nan 8.290 nan 0.000 0.533 55 L N -0.728 120.473 121.223 -0.036 0.000 2.388 55 L HA 0.559 4.898 4.340 -0.002 0.000 0.264 55 L C -0.789 176.027 176.870 -0.090 0.000 0.998 55 L CA -0.620 54.160 54.840 -0.101 0.000 0.817 55 L CB 2.566 44.472 42.059 -0.255 0.000 1.338 55 L HN 0.291 nan 8.230 nan 0.000 0.414 56 I N 2.207 122.733 120.570 -0.074 0.000 2.436 56 I HA 0.425 4.594 4.170 -0.002 0.000 0.289 56 I C -0.806 175.254 176.117 -0.095 0.000 1.010 56 I CA -0.849 60.391 61.300 -0.100 0.000 1.098 56 I CB 2.121 40.087 38.000 -0.056 0.000 1.266 56 I HN 0.136 nan 8.210 nan 0.000 0.434 57 V N 6.611 126.430 119.914 -0.158 0.000 2.398 57 V HA 0.484 4.603 4.120 -0.002 0.000 0.286 57 V C -0.556 175.456 176.094 -0.136 0.000 1.026 57 V CA -0.392 61.879 62.300 -0.048 0.000 0.868 57 V CB 1.288 33.121 31.823 0.017 0.000 0.982 57 V HN 0.393 nan 8.190 nan 0.000 0.443 58 F N 1.811 121.898 119.950 0.228 0.000 2.603 58 F HA 0.521 5.047 4.527 -0.002 0.000 0.317 58 F C -0.128 175.829 175.800 0.262 0.000 1.066 58 F CA -0.930 57.223 58.000 0.254 0.000 0.941 58 F CB 1.837 40.999 39.000 0.271 0.000 1.291 58 F HN 0.531 nan 8.300 nan 0.000 0.472 59 H N 1.664 120.972 119.070 0.396 0.000 2.581 59 H HA 0.304 4.859 4.556 -0.002 0.000 0.308 59 H C 0.199 175.670 175.328 0.239 0.000 1.040 59 H CA -0.318 55.885 56.048 0.259 0.000 1.231 59 H CB 0.437 30.317 29.762 0.198 0.000 1.396 59 H HN 0.567 nan 8.280 nan 0.000 0.467 60 N N 2.411 121.062 118.700 -0.082 0.000 2.818 60 N HA -0.152 4.587 4.740 -0.002 0.000 0.250 60 N C 1.221 176.800 175.510 0.115 0.000 1.108 60 N CA 1.068 54.105 53.050 -0.022 0.000 0.745 60 N CB -1.183 37.287 38.487 -0.029 0.000 1.104 60 N HN 0.856 nan 8.380 nan 0.000 0.557 61 G N -1.233 107.689 108.800 0.204 0.000 2.421 61 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.217 61 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.217 61 G C 1.148 176.117 174.900 0.116 0.000 1.143 61 G CA 1.071 46.217 45.100 0.076 0.000 0.784 61 G HN 0.577 nan 8.290 nan 0.000 0.541 62 H N 0.551 119.655 119.070 0.057 0.000 2.353 62 H HA 0.061 4.616 4.556 -0.002 0.000 0.300 62 H C 2.477 177.702 175.328 -0.172 0.000 1.090 62 H CA 1.376 57.410 56.048 -0.022 0.000 1.327 62 H CB 0.111 29.937 29.762 0.106 0.000 1.383 62 H HN 0.335 nan 8.280 nan 0.000 0.508 63 K N -1.658 118.770 120.400 0.047 0.000 2.211 63 K HA -0.021 4.298 4.320 -0.002 0.000 0.201 63 K C 1.175 177.780 176.600 0.008 0.000 1.052 63 K CA 0.651 56.935 56.287 -0.005 0.000 0.973 63 K CB 0.405 32.930 32.500 0.042 0.000 0.766 63 K HN 0.213 nan 8.250 nan 0.000 0.466 64 Y N 1.199 121.429 120.300 -0.117 0.000 2.891 64 Y HA 0.014 4.563 4.550 -0.002 0.000 0.228 64 Y C 1.053 176.844 175.900 -0.182 0.000 1.000 64 Y CA 0.664 58.681 58.100 -0.138 0.000 1.491 64 Y CB -0.054 38.337 38.460 -0.115 0.000 1.394 64 Y HN -0.103 nan 8.280 nan 0.000 0.477 65 D N 0.379 120.612 120.400 -0.278 0.000 2.126 65 D HA -0.239 4.400 4.640 -0.002 0.000 0.190 65 D C 2.230 178.239 176.300 -0.484 0.000 1.001 65 D CA 2.565 56.266 54.000 -0.499 0.000 0.841 65 D CB -0.635 39.682 40.800 -0.805 0.000 0.949 65 D HN 0.243 nan 8.370 nan 0.000 0.446 66 V N 1.310 120.961 119.914 -0.439 0.000 2.255 66 V HA -0.162 3.957 4.120 -0.002 0.000 0.247 66 V C -0.682 175.292 176.094 -0.199 0.000 1.051 66 V CA 1.971 64.137 62.300 -0.224 0.000 1.018 66 V CB -1.562 30.165 31.823 -0.160 0.000 0.641 66 V HN 0.275 nan 8.190 nan 0.000 0.445 67 P HA -0.057 nan 4.420 nan 0.000 0.222 67 P C 1.512 178.665 177.300 -0.244 0.000 1.153 67 P CA 1.806 64.749 63.100 -0.263 0.000 0.798 67 P CB 0.036 31.558 31.700 -0.297 0.000 0.796 68 A N 0.365 122.962 122.820 -0.371 0.000 1.930 68 A HA -0.091 4.228 4.320 -0.002 0.000 0.217 68 A C 2.371 179.846 177.584 -0.182 0.000 1.175 68 A CA 1.097 52.895 52.037 -0.398 0.000 0.627 68 A CB -1.529 16.976 19.000 -0.824 0.000 0.815 68 A HN 0.115 nan 8.150 nan 0.000 0.443 69 L N -0.819 120.352 121.223 -0.087 0.000 2.093 69 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 69 L C 2.760 179.696 176.870 0.110 0.000 1.085 69 L CA 1.640 56.527 54.840 0.079 0.000 0.755 69 L CB -0.797 41.368 42.059 0.177 0.000 0.904 69 L HN 0.334 nan 8.230 nan 0.000 0.435 70 T N -0.509 114.098 114.554 0.087 0.000 2.708 70 T HA -0.243 4.106 4.350 -0.002 0.000 0.266 70 T C 1.917 176.591 174.700 -0.043 0.000 1.037 70 T CA 1.569 63.662 62.100 -0.011 0.000 1.146 70 T CB -0.076 68.710 68.868 -0.136 0.000 0.865 70 T HN 0.245 nan 8.240 nan 0.000 0.435 71 K N 0.707 121.075 120.400 -0.053 0.000 2.002 71 K HA -0.022 4.297 4.320 -0.002 0.000 0.209 71 K C 2.240 178.833 176.600 -0.012 0.000 1.048 71 K CA 1.210 57.469 56.287 -0.047 0.000 0.930 71 K CB -0.311 32.141 32.500 -0.081 0.000 0.714 71 K HN 0.269 nan 8.250 nan 0.000 0.438 72 L N 0.422 121.651 121.223 0.010 0.000 2.141 72 L HA -0.110 4.229 4.340 -0.002 0.000 0.209 72 L C 2.608 179.609 176.870 0.218 0.000 1.094 72 L CA 0.990 55.873 54.840 0.070 0.000 0.763 72 L CB -0.471 41.585 42.059 -0.005 0.000 0.908 72 L HN 0.313 nan 8.230 nan 0.000 0.437 73 A N 0.132 123.045 122.820 0.154 0.000 1.898 73 A HA -0.233 4.086 4.320 -0.002 0.000 0.216 73 A C 2.316 179.898 177.584 -0.003 0.000 1.181 73 A CA 1.865 53.895 52.037 -0.012 0.000 0.620 73 A CB -0.323 18.576 19.000 -0.168 0.000 0.819 73 A HN 0.200 nan 8.150 nan 0.000 0.442 74 K N 0.002 120.404 120.400 0.003 0.000 2.025 74 K HA 0.052 4.371 4.320 -0.002 0.000 0.207 74 K C 1.794 178.404 176.600 0.016 0.000 1.049 74 K CA 1.327 57.616 56.287 0.003 0.000 0.933 74 K CB -0.556 31.945 32.500 0.002 0.000 0.714 74 K HN 0.441 nan 8.250 nan 0.000 0.438 75 L N 0.217 121.454 121.223 0.024 0.000 2.027 75 L HA -0.197 4.142 4.340 -0.002 0.000 0.206 75 L C 2.529 179.421 176.870 0.038 0.000 1.074 75 L CA 1.589 56.442 54.840 0.023 0.000 0.745 75 L CB -0.295 41.770 42.059 0.010 0.000 0.898 75 L HN 0.321 nan 8.230 nan 0.000 0.433 76 Q N -0.868 118.977 119.800 0.076 0.000 2.302 76 Q HA 0.036 4.375 4.340 -0.002 0.000 0.202 76 Q C 1.691 177.739 176.000 0.080 0.000 0.936 76 Q CA 0.781 56.641 55.803 0.096 0.000 0.886 76 Q CB 0.445 29.283 28.738 0.166 0.000 0.986 76 Q HN 0.498 nan 8.270 nan 0.000 0.487 77 L N -0.553 120.699 121.223 0.050 0.000 2.966 77 L HA 0.206 4.545 4.340 -0.002 0.000 0.262 77 L C 0.228 177.085 176.870 -0.021 0.000 1.165 77 L CA -0.221 54.614 54.840 -0.009 0.000 0.978 77 L CB 0.227 42.227 42.059 -0.098 0.000 1.337 77 L HN 0.279 nan 8.230 nan 0.000 0.563 78 N N 1.990 120.687 118.700 -0.006 0.000 2.727 78 N HA -0.220 4.519 4.740 -0.002 0.000 0.249 78 N C 0.121 175.622 175.510 -0.016 0.000 1.048 78 N CA 0.230 53.277 53.050 -0.005 0.000 0.714 78 N CB -0.118 38.368 38.487 -0.001 0.000 0.959 78 N HN 0.349 nan 8.380 nan 0.000 0.544 79 R N 0.807 121.288 120.500 -0.032 0.000 2.637 79 R HA 0.248 4.587 4.340 -0.002 0.000 0.291 79 R C -0.979 175.314 176.300 -0.010 0.000 0.963 79 R CA -0.577 55.501 56.100 -0.036 0.000 0.901 79 R CB 1.014 31.256 30.300 -0.097 0.000 1.160 79 R HN 0.094 nan 8.270 nan 0.000 0.457 80 E N 3.743 123.959 120.200 0.026 0.000 2.130 80 E HA 0.143 4.492 4.350 -0.002 0.000 0.284 80 E C -1.337 175.293 176.600 0.051 0.000 1.018 80 E CA -0.087 56.349 56.400 0.059 0.000 0.817 80 E CB 0.838 30.625 29.700 0.146 0.000 1.078 80 E HN 0.336 nan 8.360 nan 0.000 0.396 81 F N 4.065 123.809 119.950 -0.345 0.000 2.536 81 F HA 0.293 4.819 4.527 -0.002 0.000 0.322 81 F C -0.817 174.642 175.800 -0.568 0.000 1.144 81 F CA -0.561 57.251 58.000 -0.313 0.000 0.924 81 F CB 1.006 39.847 39.000 -0.264 0.000 1.181 81 F HN 0.324 nan 8.300 nan 0.000 0.438 82 H N 7.912 126.652 119.070 -0.549 0.000 3.108 82 H HA 0.272 4.827 4.556 -0.002 0.000 0.301 82 H C -0.785 174.262 175.328 -0.467 0.000 1.139 82 H CA -0.573 55.246 56.048 -0.381 0.000 1.552 82 H CB 1.544 31.199 29.762 -0.178 0.000 1.663 82 H HN 0.517 nan 8.280 nan 0.000 0.517 83 L N 4.480 125.455 121.223 -0.413 0.000 2.455 83 L HA 0.145 4.484 4.340 -0.002 0.000 0.272 83 L C -1.868 174.968 176.870 -0.057 0.000 1.174 83 L CA -1.506 53.193 54.840 -0.235 0.000 0.869 83 L CB 0.151 42.186 42.059 -0.040 0.000 1.130 83 L HN 0.229 nan 8.230 nan 0.000 0.474 84 P HA 0.114 nan 4.420 nan 0.000 0.275 84 P C 0.272 177.257 177.300 -0.525 0.000 1.228 84 P CA -0.534 62.398 63.100 -0.281 0.000 0.786 84 P CB 0.692 32.212 31.700 -0.301 0.000 0.927 85 R N 3.311 123.225 120.500 -0.977 0.000 2.096 85 R HA -0.190 4.149 4.340 -0.002 0.000 0.240 85 R C 1.629 177.470 176.300 -0.765 0.000 1.139 85 R CA 1.869 56.966 56.100 -1.672 0.000 0.952 85 R CB -0.331 28.823 30.300 -1.909 0.000 0.854 85 R HN 0.597 nan 8.270 nan 0.000 0.436 86 E N 0.010 119.884 120.200 -0.543 0.000 2.333 86 E HA -0.182 4.167 4.350 -0.002 0.000 0.198 86 E C 0.539 177.133 176.600 -0.011 0.000 1.007 86 E CA 1.426 57.674 56.400 -0.253 0.000 0.845 86 E CB -0.441 29.070 29.700 -0.316 0.000 0.766 86 E HN 0.476 nan 8.360 nan 0.000 0.507 87 N N -0.304 118.265 118.700 -0.218 0.000 2.336 87 N HA 0.086 4.825 4.740 -0.002 0.000 0.189 87 N C -0.633 174.890 175.510 0.022 0.000 1.113 87 N CA 0.077 53.054 53.050 -0.121 0.000 0.858 87 N CB 0.469 38.844 38.487 -0.188 0.000 0.970 87 N HN 0.108 nan 8.380 nan 0.000 0.471 88 C N 0.827 120.203 119.300 0.127 0.000 2.382 88 C HA 0.574 5.033 4.460 -0.002 0.000 0.327 88 C C 0.187 175.433 174.990 0.427 0.000 1.250 88 C CA -1.184 58.017 59.018 0.304 0.000 1.707 88 C CB 0.139 28.156 27.740 0.460 0.000 2.272 88 C HN 0.238 nan 8.230 nan 0.000 0.506 89 I N 2.327 123.075 120.570 0.297 0.000 2.569 89 I HA 0.380 4.549 4.170 -0.002 0.000 0.296 89 I C -0.791 175.579 176.117 0.422 0.000 1.028 89 I CA 0.051 61.477 61.300 0.210 0.000 1.082 89 I CB 1.727 39.617 38.000 -0.183 0.000 1.264 89 I HN 0.574 nan 8.210 nan 0.000 0.429 90 D N 3.345 124.059 120.400 0.523 0.000 2.549 90 D HA 0.169 4.808 4.640 -0.002 0.000 0.251 90 D C 0.896 177.323 176.300 0.213 0.000 1.153 90 D CA -0.316 53.836 54.000 0.254 0.000 0.861 90 D CB 1.868 42.601 40.800 -0.112 0.000 1.207 90 D HN 0.683 nan 8.370 nan 0.000 0.543 91 T N 1.293 115.986 114.554 0.233 0.000 2.962 91 T HA -0.151 4.198 4.350 -0.002 0.000 0.270 91 T C 1.836 176.649 174.700 0.189 0.000 1.088 91 T CA 0.386 62.646 62.100 0.267 0.000 1.127 91 T CB 0.069 69.167 68.868 0.383 0.000 0.883 91 T HN 0.297 nan 8.240 nan 0.000 0.493 92 L N 1.250 122.415 121.223 -0.095 0.000 2.044 92 L HA 0.178 4.517 4.340 -0.002 0.000 0.205 92 L C 2.581 179.416 176.870 -0.057 0.000 1.075 92 L CA 1.212 55.933 54.840 -0.198 0.000 0.747 92 L CB -0.779 40.974 42.059 -0.511 0.000 0.903 92 L HN 0.125 nan 8.230 nan 0.000 0.435 93 V N -0.255 119.590 119.914 -0.116 0.000 2.332 93 V HA -0.315 3.804 4.120 -0.002 0.000 0.248 93 V C 2.621 178.668 176.094 -0.079 0.000 1.055 93 V CA 2.058 64.258 62.300 -0.166 0.000 1.038 93 V CB -0.531 31.021 31.823 -0.453 0.000 0.651 93 V HN 0.429 nan 8.190 nan 0.000 0.450 94 L N -0.395 120.840 121.223 0.020 0.000 2.046 94 L HA -0.168 4.172 4.340 -0.002 0.000 0.208 94 L C 2.618 179.519 176.870 0.052 0.000 1.077 94 L CA 1.705 56.613 54.840 0.113 0.000 0.747 94 L CB -0.418 41.790 42.059 0.247 0.000 0.896 94 L HN 0.356 nan 8.230 nan 0.000 0.432 95 S N -0.471 115.298 115.700 0.115 0.000 2.368 95 S HA -0.170 4.299 4.470 -0.002 0.000 0.225 95 S C 1.933 176.603 174.600 0.117 0.000 1.030 95 S CA 1.121 59.430 58.200 0.181 0.000 0.999 95 S CB -0.205 63.161 63.200 0.278 0.000 0.844 95 S HN 0.376 nan 8.310 nan 0.000 0.459 96 R N 0.246 120.789 120.500 0.071 0.000 2.189 96 R HA 0.059 4.399 4.340 -0.002 0.000 0.223 96 R C 2.120 178.432 176.300 0.020 0.000 1.092 96 R CA 0.584 56.718 56.100 0.056 0.000 0.989 96 R CB -0.234 30.092 30.300 0.043 0.000 0.876 96 R HN 0.285 nan 8.270 nan 0.000 0.457 97 L N 0.298 121.501 121.223 -0.033 0.000 2.084 97 L HA 0.046 4.385 4.340 -0.002 0.000 0.202 97 L C 1.777 178.520 176.870 -0.212 0.000 1.074 97 L CA 1.566 56.359 54.840 -0.079 0.000 0.757 97 L CB -0.127 41.872 42.059 -0.099 0.000 0.918 97 L HN 0.024 nan 8.230 nan 0.000 0.444 98 I N -0.544 119.798 120.570 -0.381 0.000 2.353 98 I HA -0.161 4.008 4.170 -0.002 0.000 0.248 98 I C 0.762 176.617 176.117 -0.436 0.000 1.119 98 I CA 0.683 61.637 61.300 -0.577 0.000 1.417 98 I CB -0.313 37.268 38.000 -0.697 0.000 1.078 98 I HN 0.278 nan 8.210 nan 0.000 0.421 99 H N 0.603 119.645 119.070 -0.046 0.000 2.533 99 H HA 0.236 4.791 4.556 -0.002 0.000 0.281 99 H C 1.558 176.880 175.328 -0.010 0.000 1.238 99 H CA 0.079 56.116 56.048 -0.018 0.000 1.024 99 H CB 0.185 29.953 29.762 0.010 0.000 1.604 99 H HN 0.244 nan 8.280 nan 0.000 0.531 100 S N 0.387 116.119 115.700 0.054 0.000 2.507 100 S HA -0.163 4.306 4.470 -0.002 0.000 0.235 100 S C 1.601 176.236 174.600 0.058 0.000 0.988 100 S CA 0.715 58.952 58.200 0.063 0.000 0.944 100 S CB -0.053 63.187 63.200 0.067 0.000 0.762 100 S HN 0.538 nan 8.310 nan 0.000 0.526 101 N N 1.449 120.159 118.700 0.016 0.000 2.412 101 N HA 0.094 4.833 4.740 -0.002 0.000 0.184 101 N C 0.234 175.722 175.510 -0.037 0.000 1.101 101 N CA 0.072 53.084 53.050 -0.063 0.000 0.881 101 N CB -0.264 38.024 38.487 -0.332 0.000 0.969 101 N HN 0.421 nan 8.380 nan 0.000 0.459 102 L N 0.557 121.789 121.223 0.015 0.000 2.331 102 L HA 0.399 4.738 4.340 -0.002 0.000 0.275 102 L C 0.518 177.415 176.870 0.045 0.000 1.022 102 L CA -0.950 53.901 54.840 0.019 0.000 0.812 102 L CB 1.373 43.442 42.059 0.016 0.000 1.257 102 L HN -0.176 nan 8.230 nan 0.000 0.435 103 K N 1.353 121.778 120.400 0.041 0.000 2.127 103 K HA 0.473 4.792 4.320 -0.002 0.000 0.240 103 K C -0.941 175.702 176.600 0.071 0.000 1.024 103 K CA -0.521 55.799 56.287 0.055 0.000 0.918 103 K CB 1.313 33.843 32.500 0.051 0.000 1.108 103 K HN 0.751 nan 8.250 nan 0.000 0.485 104 D N -3.317 117.133 120.400 0.083 0.000 2.599 104 D HA 0.075 4.714 4.640 -0.002 0.000 0.252 104 D C 0.150 176.511 176.300 0.102 0.000 1.232 104 D CA -0.704 53.358 54.000 0.103 0.000 0.819 104 D CB 0.662 41.531 40.800 0.114 0.000 1.401 104 D HN 0.378 nan 8.370 nan 0.000 0.429 105 T N -2.821 111.795 114.554 0.104 0.000 3.194 105 T HA 0.130 4.479 4.350 -0.002 0.000 0.251 105 T C -0.240 174.514 174.700 0.090 0.000 1.132 105 T CA 0.346 62.501 62.100 0.091 0.000 1.028 105 T CB -1.304 67.600 68.868 0.060 0.000 0.976 105 T HN 0.710 nan 8.240 nan 0.000 0.535 106 D N 1.653 122.110 120.400 0.095 0.000 2.803 106 D HA -0.234 4.405 4.640 -0.002 0.000 0.233 106 D C 0.202 176.538 176.300 0.060 0.000 1.182 106 D CA 0.330 54.385 54.000 0.092 0.000 0.726 106 D CB -1.982 38.898 40.800 0.133 0.000 0.987 106 D HN 0.317 nan 8.370 nan 0.000 0.412 107 M N -0.806 118.826 119.600 0.053 0.000 2.360 107 M HA -0.161 4.318 4.480 -0.002 0.000 0.202 107 M C 1.695 177.979 176.300 -0.026 0.000 0.390 107 M CA 1.491 56.802 55.300 0.019 0.000 0.470 107 M CB -2.385 30.213 32.600 -0.005 0.000 1.637 107 M HN 1.529 nan 8.290 nan 0.000 0.885 108 G N -1.051 107.738 108.800 -0.019 0.000 2.179 108 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.260 108 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.260 108 G C 0.748 175.631 174.900 -0.028 0.000 0.977 108 G CA 0.420 45.498 45.100 -0.036 0.000 0.641 108 G HN 0.547 nan 8.290 nan 0.000 0.533 109 L N -0.370 120.839 121.223 -0.023 0.000 2.291 109 L HA 0.257 4.596 4.340 -0.002 0.000 0.214 109 L C 1.378 178.266 176.870 0.031 0.000 1.120 109 L CA 0.731 55.534 54.840 -0.062 0.000 0.799 109 L CB -0.209 41.774 42.059 -0.127 0.000 0.925 109 L HN 0.238 nan 8.230 nan 0.000 0.446 110 L N -0.160 121.118 121.223 0.092 0.000 2.334 110 L HA 0.375 4.714 4.340 -0.002 0.000 0.276 110 L C 0.128 177.048 176.870 0.083 0.000 1.014 110 L CA -0.731 54.183 54.840 0.124 0.000 0.815 110 L CB 1.690 43.840 42.059 0.151 0.000 1.268 110 L HN -0.014 nan 8.230 nan 0.000 0.428 111 R N 0.955 121.503 120.500 0.081 0.000 2.351 111 R HA 0.029 4.368 4.340 -0.002 0.000 0.318 111 R C 1.311 177.663 176.300 0.086 0.000 1.055 111 R CA 0.047 56.189 56.100 0.070 0.000 0.968 111 R CB 0.719 31.056 30.300 0.061 0.000 0.974 111 R HN 0.823 nan 8.270 nan 0.000 0.439 112 S N 2.343 118.108 115.700 0.108 0.000 2.383 112 S HA -0.168 4.301 4.470 -0.002 0.000 0.229 112 S C 2.075 176.737 174.600 0.103 0.000 1.030 112 S CA 1.094 59.381 58.200 0.146 0.000 1.002 112 S CB -0.337 63.037 63.200 0.290 0.000 0.829 112 S HN 0.797 nan 8.310 nan 0.000 0.467 113 G N 1.630 110.481 108.800 0.084 0.000 2.462 113 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.220 113 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.220 113 G C 1.576 176.503 174.900 0.044 0.000 1.121 113 G CA 1.229 46.361 45.100 0.054 0.000 0.758 113 G HN 0.838 nan 8.290 nan 0.000 0.559 114 K N 0.027 120.458 120.400 0.051 0.000 2.379 114 K HA 0.538 4.857 4.320 -0.002 0.000 0.194 114 K C 1.008 177.634 176.600 0.043 0.000 1.031 114 K CA 0.024 56.337 56.287 0.044 0.000 1.037 114 K CB -0.263 32.266 32.500 0.048 0.000 0.824 114 K HN 0.368 nan 8.250 nan 0.000 0.516 115 L N 2.109 123.362 121.223 0.050 0.000 2.439 115 L HA 0.269 4.608 4.340 -0.002 0.000 0.269 115 L C -1.891 174.999 176.870 0.034 0.000 1.179 115 L CA -1.981 52.887 54.840 0.047 0.000 0.828 115 L CB 0.895 42.990 42.059 0.059 0.000 1.106 115 L HN 0.255 nan 8.230 nan 0.000 0.467 116 P HA 0.416 nan 4.420 nan 0.000 0.282 116 P C -0.066 177.243 177.300 0.015 0.000 1.259 116 P CA 0.035 63.148 63.100 0.022 0.000 0.826 116 P CB 1.621 33.336 31.700 0.025 0.000 1.064 125 L N 0.994 122.182 121.223 -0.058 0.000 2.386 125 L HA 0.507 4.846 4.340 -0.002 0.000 0.271 125 L C 0.197 177.030 176.870 -0.063 0.000 0.993 125 L CA -0.806 54.021 54.840 -0.021 0.000 0.819 125 L CB 1.902 43.992 42.059 0.052 0.000 1.294 125 L HN 0.858 nan 8.230 nan 0.000 0.414 126 E N 1.692 121.850 120.200 -0.071 0.000 2.415 126 E HA 0.034 4.383 4.350 -0.002 0.000 0.263 126 E C 0.612 177.185 176.600 -0.046 0.000 0.995 126 E CA 0.412 56.730 56.400 -0.136 0.000 0.915 126 E CB 1.731 31.310 29.700 -0.201 0.000 0.951 126 E HN 0.743 nan 8.360 nan 0.000 0.449 127 A N 5.351 128.079 122.820 -0.154 0.000 1.865 127 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 127 A C 1.886 179.437 177.584 -0.056 0.000 1.191 127 A CA 1.605 53.522 52.037 -0.200 0.000 0.623 127 A CB -0.890 17.819 19.000 -0.485 0.000 0.826 127 A HN 0.874 nan 8.150 nan 0.000 0.444 128 W N -0.526 120.803 121.300 0.049 0.000 2.358 128 W HA 0.028 4.687 4.660 -0.002 0.000 0.303 128 W C 2.553 179.075 176.519 0.004 0.000 1.208 128 W CA 0.527 57.890 57.345 0.031 0.000 1.274 128 W CB -0.566 28.904 29.460 0.017 0.000 1.138 128 W HN 0.406 nan 8.180 nan 0.000 0.515 129 G N -0.417 108.535 108.800 0.254 0.000 2.422 129 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.218 129 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.218 129 G C 1.162 176.145 174.900 0.139 0.000 1.146 129 G CA 1.110 46.307 45.100 0.163 0.000 0.769 129 G HN 0.350 nan 8.290 nan 0.000 0.547 130 Y N 1.654 121.989 120.300 0.060 0.000 2.097 130 Y HA -0.146 4.403 4.550 -0.002 0.000 0.282 130 Y C 3.025 178.957 175.900 0.054 0.000 1.152 130 Y CA 2.051 60.176 58.100 0.041 0.000 1.136 130 Y CB -0.218 38.240 38.460 -0.004 0.000 0.975 130 Y HN 0.099 nan 8.280 nan 0.000 0.498 131 R N 0.045 120.615 120.500 0.117 0.000 2.091 131 R HA -0.186 4.153 4.340 -0.002 0.000 0.238 131 R C 2.326 178.618 176.300 -0.013 0.000 1.136 131 R CA 1.972 58.113 56.100 0.069 0.000 0.959 131 R CB -0.699 29.733 30.300 0.219 0.000 0.856 131 R HN 0.398 nan 8.270 nan 0.000 0.437 132 L N -0.373 120.845 121.223 -0.008 0.000 2.046 132 L HA -0.108 4.231 4.340 -0.002 0.000 0.208 132 L C 2.575 179.430 176.870 -0.024 0.000 1.077 132 L CA 1.462 56.275 54.840 -0.044 0.000 0.747 132 L CB -0.729 41.170 42.059 -0.266 0.000 0.896 132 L HN 0.390 nan 8.230 nan 0.000 0.432 133 G N -0.961 107.807 108.800 -0.054 0.000 2.443 133 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.219 133 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.219 133 G C 1.403 176.215 174.900 -0.146 0.000 1.131 133 G CA 0.255 45.317 45.100 -0.063 0.000 0.775 133 G HN 0.260 nan 8.290 nan 0.000 0.547 134 E N 0.143 120.190 120.200 -0.254 0.000 2.474 134 E HA 0.117 4.466 4.350 -0.002 0.000 0.194 134 E C 2.430 178.975 176.600 -0.093 0.000 1.041 134 E CA -0.168 56.090 56.400 -0.236 0.000 0.874 134 E CB -0.050 29.393 29.700 -0.429 0.000 0.914 134 E HN 0.294 nan 8.360 nan 0.000 0.498 135 M N 0.743 120.318 119.600 -0.042 0.000 2.106 135 M HA -0.189 4.290 4.480 -0.002 0.000 0.259 135 M C 1.904 178.167 176.300 -0.060 0.000 1.068 135 M CA 1.557 56.851 55.300 -0.010 0.000 1.100 135 M CB -0.872 31.761 32.600 0.055 0.000 1.351 135 M HN 0.038 nan 8.290 nan 0.000 0.404 136 K N -0.339 120.076 120.400 0.026 0.000 2.026 136 K HA -0.102 4.217 4.320 -0.002 0.000 0.208 136 K C 2.164 178.816 176.600 0.087 0.000 1.048 136 K CA 1.458 57.847 56.287 0.170 0.000 0.929 136 K CB -0.614 31.969 32.500 0.139 0.000 0.713 136 K HN 0.493 nan 8.250 nan 0.000 0.439 137 G N 1.312 110.116 108.800 0.006 0.000 2.422 137 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.218 137 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.218 137 G C 1.209 176.074 174.900 -0.058 0.000 1.146 137 G CA 0.608 45.693 45.100 -0.026 0.000 0.769 137 G HN 0.317 nan 8.290 nan 0.000 0.547 138 E N -0.718 119.449 120.200 -0.056 0.000 2.072 138 E HA -0.123 4.226 4.350 -0.002 0.000 0.191 138 E C 2.085 178.624 176.600 -0.102 0.000 0.985 138 E CA 0.800 57.184 56.400 -0.027 0.000 0.801 138 E CB -0.238 29.511 29.700 0.082 0.000 0.750 138 E HN 0.512 nan 8.360 nan 0.000 0.452 139 Y N 2.323 122.309 120.300 -0.523 0.000 2.145 139 Y HA -0.238 4.311 4.550 -0.002 0.000 0.286 139 Y C 2.200 177.907 175.900 -0.322 0.000 1.145 139 Y CA 1.773 59.468 58.100 -0.675 0.000 1.148 139 Y CB -0.160 37.748 38.460 -0.921 0.000 0.981 139 Y HN -0.194 nan 8.280 nan 0.000 0.507 140 K N -0.100 120.028 120.400 -0.453 0.000 2.103 140 K HA -0.198 4.121 4.320 -0.002 0.000 0.207 140 K C 1.580 177.959 176.600 -0.368 0.000 1.048 140 K CA 1.938 57.933 56.287 -0.487 0.000 0.930 140 K CB -0.275 32.068 32.500 -0.262 0.000 0.716 140 K HN 0.347 nan 8.250 nan 0.000 0.444 141 D N 0.949 121.206 120.400 -0.239 0.000 2.149 141 D HA -0.113 4.526 4.640 -0.002 0.000 0.201 141 D C 1.389 177.595 176.300 -0.156 0.000 0.972 141 D CA 1.129 55.017 54.000 -0.188 0.000 0.835 141 D CB -0.157 40.580 40.800 -0.105 0.000 0.966 141 D HN 0.296 nan 8.370 nan 0.000 0.476 142 D N 0.036 120.374 120.400 -0.103 0.000 2.097 142 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 142 D C 1.742 177.967 176.300 -0.124 0.000 0.984 142 D CA 0.439 54.411 54.000 -0.047 0.000 0.826 142 D CB -0.486 40.382 40.800 0.113 0.000 0.973 142 D HN 0.124 nan 8.370 nan 0.000 0.460 143 F N 1.566 121.284 119.950 -0.386 0.000 2.069 143 F HA -0.204 4.322 4.527 -0.002 0.000 0.298 143 F C 2.216 177.816 175.800 -0.334 0.000 1.113 143 F CA 1.616 59.360 58.000 -0.425 0.000 1.214 143 F CB -0.033 38.540 39.000 -0.711 0.000 0.978 143 F HN -0.211 nan 8.300 nan 0.000 0.474 144 K N 0.112 120.372 120.400 -0.234 0.000 2.063 144 K HA -0.256 4.063 4.320 -0.002 0.000 0.208 144 K C 2.498 178.946 176.600 -0.253 0.000 1.048 144 K CA 1.573 57.645 56.287 -0.358 0.000 0.928 144 K CB -0.297 31.844 32.500 -0.597 0.000 0.713 144 K HN 0.211 nan 8.250 nan 0.000 0.442 145 R N 0.349 120.720 120.500 -0.215 0.000 2.073 145 R HA -0.116 4.223 4.340 -0.002 0.000 0.234 145 R C 2.330 178.527 176.300 -0.171 0.000 1.134 145 R CA 1.885 57.889 56.100 -0.161 0.000 0.952 145 R CB -0.204 30.022 30.300 -0.122 0.000 0.850 145 R HN 0.258 nan 8.270 nan 0.000 0.433 146 M N 0.523 119.992 119.600 -0.217 0.000 2.117 146 M HA -0.197 4.282 4.480 -0.002 0.000 0.262 146 M C 2.332 178.476 176.300 -0.261 0.000 1.065 146 M CA 1.517 56.675 55.300 -0.236 0.000 1.114 146 M CB -0.207 32.220 32.600 -0.288 0.000 1.361 146 M HN 0.235 nan 8.290 nan 0.000 0.408 147 L N -0.181 120.841 121.223 -0.334 0.000 1.970 147 L HA -0.251 4.088 4.340 -0.002 0.000 0.212 147 L C 2.270 179.052 176.870 -0.147 0.000 1.071 147 L CA 1.670 56.352 54.840 -0.263 0.000 0.751 147 L CB -0.625 41.299 42.059 -0.224 0.000 0.889 147 L HN 0.314 nan 8.230 nan 0.000 0.432 148 E N -0.210 119.919 120.200 -0.119 0.000 2.160 148 E HA -0.249 4.100 4.350 -0.002 0.000 0.195 148 E C 2.236 178.790 176.600 -0.078 0.000 0.991 148 E CA 1.429 57.782 56.400 -0.079 0.000 0.810 148 E CB -0.084 29.573 29.700 -0.072 0.000 0.742 148 E HN 0.580 nan 8.360 nan 0.000 0.466 149 E N 0.845 120.988 120.200 -0.095 0.000 2.204 149 E HA -0.202 4.147 4.350 -0.002 0.000 0.195 149 E C 1.539 178.094 176.600 -0.074 0.000 0.990 149 E CA 1.298 57.649 56.400 -0.081 0.000 0.821 149 E CB -0.567 29.079 29.700 -0.089 0.000 0.750 149 E HN 0.363 nan 8.360 nan 0.000 0.477 150 Q N -1.652 118.096 119.800 -0.087 0.000 2.246 150 Q HA 0.365 4.704 4.340 -0.002 0.000 0.202 150 Q C 1.229 177.193 176.000 -0.059 0.000 0.883 150 Q CA 0.156 55.914 55.803 -0.075 0.000 0.952 150 Q CB 0.796 29.477 28.738 -0.094 0.000 1.078 150 Q HN 0.640 nan 8.270 nan 0.000 0.493 151 G N 1.016 109.784 108.800 -0.053 0.000 2.168 151 G HA2 -0.254 3.706 3.960 -0.002 0.000 0.263 151 G HA3 -0.254 3.706 3.960 -0.002 0.000 0.263 151 G C 0.057 174.938 174.900 -0.031 0.000 0.977 151 G CA 0.242 45.319 45.100 -0.038 0.000 0.659 151 G HN 0.248 nan 8.290 nan 0.000 0.533 152 E N 0.435 120.611 120.200 -0.040 0.000 2.212 152 E HA 0.417 4.766 4.350 -0.002 0.000 0.270 152 E C 0.359 176.955 176.600 -0.006 0.000 0.956 152 E CA -0.721 55.665 56.400 -0.024 0.000 0.825 152 E CB 1.056 30.739 29.700 -0.028 0.000 1.167 152 E HN 0.443 nan 8.360 nan 0.000 0.400 153 E N 2.150 122.357 120.200 0.011 0.000 2.415 153 E HA -0.085 4.265 4.350 -0.002 0.000 0.262 153 E C -1.075 175.560 176.600 0.058 0.000 1.038 153 E CA -0.036 56.384 56.400 0.033 0.000 0.921 153 E CB 0.454 30.166 29.700 0.020 0.000 0.950 153 E HN 0.361 nan 8.360 nan 0.000 0.438 154 Y N 3.850 124.131 120.300 -0.032 0.000 2.330 154 Y HA 0.383 4.932 4.550 -0.002 0.000 0.336 154 Y C -1.193 174.687 175.900 -0.033 0.000 1.036 154 Y CA -0.691 57.388 58.100 -0.036 0.000 1.125 154 Y CB 1.091 39.524 38.460 -0.046 0.000 1.194 154 Y HN 0.187 nan 8.280 nan 0.000 0.469 155 V N 4.732 124.079 119.914 -0.946 0.000 2.459 155 V HA 0.347 4.466 4.120 -0.002 0.000 0.295 155 V C -0.050 175.395 176.094 -1.082 0.000 1.029 155 V CA -0.539 61.342 62.300 -0.699 0.000 0.874 155 V CB 1.003 32.670 31.823 -0.261 0.000 0.985 155 V HN 0.972 nan 8.190 nan 0.000 0.438 156 D N 2.929 122.999 120.400 -0.549 0.000 2.662 156 D HA 0.363 5.002 4.640 -0.002 0.000 0.233 156 D C 1.507 177.669 176.300 -0.229 0.000 1.129 156 D CA 0.912 54.757 54.000 -0.260 0.000 0.851 156 D CB -0.030 40.751 40.800 -0.032 0.000 1.152 156 D HN 1.892 nan 8.370 nan 0.000 0.507 157 G N 1.456 110.155 108.800 -0.167 0.000 2.205 157 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.261 157 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.261 157 G C 1.430 175.926 174.900 -0.673 0.000 0.980 157 G CA 1.442 46.455 45.100 -0.145 0.000 0.632 157 G HN 1.590 nan 8.290 nan 0.000 0.533 158 M N 0.400 119.250 119.600 -1.251 0.000 2.358 158 M HA 0.039 4.518 4.480 -0.002 0.000 0.264 158 M C 2.117 177.549 176.300 -1.446 0.000 1.064 158 M CA 2.401 56.388 55.300 -2.189 0.000 1.093 158 M CB -0.528 31.049 32.600 -1.705 0.000 1.401 158 M HN 0.343 nan 8.290 nan 0.000 0.440 159 E N 0.447 119.849 120.200 -1.330 0.000 2.333 159 E HA -0.210 4.139 4.350 -0.002 0.000 0.198 159 E C 0.799 176.722 176.600 -1.128 0.000 1.007 159 E CA 1.341 56.594 56.400 -1.911 0.000 0.845 159 E CB -0.754 27.776 29.700 -1.950 0.000 0.766 159 E HN 0.880 nan 8.360 nan 0.000 0.507 160 W N -0.747 120.305 121.300 -0.413 0.000 3.220 160 W HA 0.228 4.887 4.660 -0.001 0.000 0.328 160 W C 1.214 177.877 176.519 0.240 0.000 1.205 160 W CA -1.017 56.314 57.345 -0.022 0.000 1.773 160 W CB 0.082 29.573 29.460 0.052 0.000 1.086 160 W HN -0.012 nan 8.180 nan 0.000 0.622 161 W N 0.695 122.076 121.300 0.134 0.000 2.409 161 W HA 0.031 4.690 4.660 -0.002 0.000 0.299 161 W C 0.478 177.107 176.519 0.183 0.000 1.203 161 W CA 0.639 58.082 57.345 0.162 0.000 1.298 161 W CB -1.122 28.376 29.460 0.065 0.000 1.127 161 W HN -0.272 nan 8.180 nan 0.000 0.528 162 N N -0.631 118.196 118.700 0.212 0.000 2.265 162 N HA 0.139 4.878 4.740 -0.002 0.000 0.300 162 N C -1.210 174.114 175.510 -0.310 0.000 1.148 162 N CA -0.761 52.320 53.050 0.052 0.000 0.772 162 N CB 2.006 40.571 38.487 0.131 0.000 1.434 162 N HN -0.267 nan 8.380 nan 0.000 0.481 163 F N 2.119 121.815 119.950 -0.422 0.000 2.459 163 F HA 0.281 4.807 4.527 -0.002 0.000 0.346 163 F C -0.002 175.716 175.800 -0.137 0.000 1.128 163 F CA -0.145 57.627 58.000 -0.380 0.000 1.268 163 F CB 0.289 39.202 39.000 -0.145 0.000 1.161 163 F HN 0.639 nan 8.300 nan 0.000 0.583 164 N N 1.767 119.686 118.700 -1.302 0.000 2.823 164 N HA 0.212 4.951 4.740 -0.002 0.000 0.251 164 N C -0.436 174.451 175.510 -1.038 0.000 1.392 164 N CA -0.724 51.751 53.050 -0.957 0.000 0.864 164 N CB 0.760 39.062 38.487 -0.308 0.000 1.481 164 N HN 0.401 nan 8.380 nan 0.000 0.508 165 E N -0.400 119.465 120.200 -0.558 0.000 2.268 165 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 165 E C 1.648 178.158 176.600 -0.150 0.000 0.995 165 E CA 1.639 57.869 56.400 -0.283 0.000 0.836 165 E CB -0.476 29.145 29.700 -0.130 0.000 0.763 165 E HN 0.837 nan 8.360 nan 0.000 0.491 166 E N 1.327 121.470 120.200 -0.096 0.000 2.072 166 E HA -0.092 4.257 4.350 -0.002 0.000 0.191 166 E C 1.789 178.417 176.600 0.047 0.000 0.985 166 E CA 1.316 57.740 56.400 0.040 0.000 0.801 166 E CB -0.569 29.251 29.700 0.200 0.000 0.750 166 E HN 0.272 nan 8.360 nan 0.000 0.452 167 M N -1.042 118.484 119.600 -0.124 0.000 2.080 167 M HA -0.119 4.360 4.480 -0.002 0.000 0.260 167 M C 2.544 178.795 176.300 -0.081 0.000 1.068 167 M CA 2.488 57.577 55.300 -0.352 0.000 1.109 167 M CB -0.125 32.215 32.600 -0.435 0.000 1.342 167 M HN 0.439 nan 8.290 nan 0.000 0.405 168 M N 0.951 120.549 119.600 -0.004 0.000 2.108 168 M HA -0.231 4.248 4.480 -0.002 0.000 0.261 168 M C 1.199 177.529 176.300 0.050 0.000 1.066 168 M CA 2.013 57.391 55.300 0.130 0.000 1.107 168 M CB -0.493 32.244 32.600 0.228 0.000 1.356 168 M HN 0.250 nan 8.290 nan 0.000 0.406 169 D N -1.178 119.211 120.400 -0.018 0.000 2.144 169 D HA -0.160 4.479 4.640 -0.002 0.000 0.199 169 D C 1.828 178.056 176.300 -0.121 0.000 0.984 169 D CA 1.437 55.381 54.000 -0.092 0.000 0.834 169 D CB -0.445 40.254 40.800 -0.167 0.000 0.955 169 D HN 0.449 nan 8.370 nan 0.000 0.465 170 Y N 1.149 121.409 120.300 -0.066 0.000 2.293 170 Y HA -0.090 4.459 4.550 -0.002 0.000 0.291 170 Y C 2.204 178.095 175.900 -0.014 0.000 1.137 170 Y CA 0.956 59.025 58.100 -0.053 0.000 1.202 170 Y CB -0.440 37.944 38.460 -0.126 0.000 0.990 170 Y HN 0.037 nan 8.280 nan 0.000 0.537 171 N N -0.411 118.372 118.700 0.139 0.000 2.120 171 N HA -0.175 4.564 4.740 -0.002 0.000 0.188 171 N C 1.749 177.331 175.510 0.120 0.000 1.024 171 N CA 1.251 54.381 53.050 0.132 0.000 0.852 171 N CB -0.076 38.481 38.487 0.117 0.000 1.003 171 N HN 0.086 nan 8.380 nan 0.000 0.424 172 V N 1.172 121.127 119.914 0.068 0.000 2.270 172 V HA -0.240 3.879 4.120 -0.002 0.000 0.245 172 V C 2.962 179.039 176.094 -0.028 0.000 1.043 172 V CA 2.471 64.781 62.300 0.017 0.000 1.014 172 V CB -1.252 30.531 31.823 -0.067 0.000 0.645 172 V HN 0.566 nan 8.190 nan 0.000 0.447 173 Q N -0.399 119.378 119.800 -0.039 0.000 2.112 173 Q HA -0.384 3.955 4.340 -0.002 0.000 0.206 173 Q C 1.836 177.855 176.000 0.032 0.000 0.987 173 Q CA 2.519 58.301 55.803 -0.034 0.000 0.858 173 Q CB -1.128 27.587 28.738 -0.038 0.000 0.905 173 Q HN 0.744 nan 8.270 nan 0.000 0.420 174 D N -0.565 119.888 120.400 0.089 0.000 2.104 174 D HA -0.123 4.516 4.640 -0.002 0.000 0.194 174 D C 1.812 178.168 176.300 0.094 0.000 0.994 174 D CA 1.702 55.767 54.000 0.109 0.000 0.830 174 D CB 0.042 40.932 40.800 0.151 0.000 0.959 174 D HN 0.358 nan 8.370 nan 0.000 0.452 175 V N -0.256 119.735 119.914 0.129 0.000 2.358 175 V HA -0.190 3.929 4.120 -0.002 0.000 0.246 175 V C 2.467 178.617 176.094 0.094 0.000 1.047 175 V CA 0.924 63.319 62.300 0.159 0.000 1.035 175 V CB -0.360 31.632 31.823 0.281 0.000 0.658 175 V HN 0.119 nan 8.190 nan 0.000 0.452 176 V N -0.107 119.839 119.914 0.053 0.000 2.287 176 V HA -0.250 3.869 4.120 -0.002 0.000 0.248 176 V C 2.404 178.401 176.094 -0.162 0.000 1.053 176 V CA 2.171 64.439 62.300 -0.053 0.000 1.027 176 V CB -0.446 31.296 31.823 -0.135 0.000 0.646 176 V HN 0.427 nan 8.190 nan 0.000 0.447 177 V N -0.573 119.264 119.914 -0.129 0.000 2.453 177 V HA -0.203 3.916 4.120 -0.002 0.000 0.247 177 V C 2.500 178.442 176.094 -0.254 0.000 1.048 177 V CA 2.326 64.492 62.300 -0.224 0.000 1.049 177 V CB -0.787 31.039 31.823 0.005 0.000 0.672 177 V HN 0.607 nan 8.190 nan 0.000 0.457 178 T N -0.394 114.095 114.554 -0.109 0.000 2.821 178 T HA -0.214 4.135 4.350 -0.002 0.000 0.267 178 T C 1.947 176.603 174.700 -0.072 0.000 1.046 178 T CA 1.688 63.761 62.100 -0.045 0.000 1.139 178 T CB -0.138 68.775 68.868 0.076 0.000 0.871 178 T HN 0.450 nan 8.240 nan 0.000 0.454 179 K N 1.059 121.388 120.400 -0.118 0.000 2.025 179 K HA -0.010 4.309 4.320 -0.002 0.000 0.207 179 K C 2.535 179.012 176.600 -0.204 0.000 1.049 179 K CA 1.179 57.386 56.287 -0.133 0.000 0.933 179 K CB -0.313 32.020 32.500 -0.279 0.000 0.714 179 K HN 0.260 nan 8.250 nan 0.000 0.438 180 A N 1.860 124.437 122.820 -0.405 0.000 1.883 180 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 180 A C 2.159 179.404 177.584 -0.565 0.000 1.186 180 A CA 1.349 53.007 52.037 -0.633 0.000 0.624 180 A CB -0.721 17.475 19.000 -1.339 0.000 0.822 180 A HN 0.435 nan 8.150 nan 0.000 0.444 181 L N -0.997 119.920 121.223 -0.511 0.000 1.994 181 L HA -0.182 4.157 4.340 -0.002 0.000 0.208 181 L C 2.561 179.432 176.870 0.001 0.000 1.071 181 L CA 2.041 56.794 54.840 -0.146 0.000 0.745 181 L CB -0.387 41.679 42.059 0.012 0.000 0.892 181 L HN 0.493 nan 8.230 nan 0.000 0.431 182 L N 0.395 121.616 121.223 -0.003 0.000 1.997 182 L HA -0.307 4.032 4.340 -0.002 0.000 0.216 182 L C 2.317 179.185 176.870 -0.004 0.000 1.074 182 L CA 2.070 56.929 54.840 0.031 0.000 0.763 182 L CB -0.605 41.484 42.059 0.050 0.000 0.890 182 L HN 0.277 nan 8.230 nan 0.000 0.434 183 E N -0.758 119.435 120.200 -0.011 0.000 2.153 183 E HA -0.275 4.075 4.350 -0.002 0.000 0.194 183 E C 2.165 178.782 176.600 0.027 0.000 0.988 183 E CA 1.317 57.717 56.400 -0.001 0.000 0.811 183 E CB -0.154 29.555 29.700 0.015 0.000 0.746 183 E HN 0.499 nan 8.360 nan 0.000 0.466 184 K N 0.863 121.299 120.400 0.061 0.000 2.097 184 K HA -0.124 4.195 4.320 -0.002 0.000 0.205 184 K C 1.995 178.680 176.600 0.140 0.000 1.050 184 K CA 0.813 57.185 56.287 0.143 0.000 0.938 184 K CB 0.054 32.706 32.500 0.253 0.000 0.718 184 K HN 0.083 nan 8.250 nan 0.000 0.442 185 L N 0.813 122.104 121.223 0.113 0.000 2.072 185 L HA -0.121 4.218 4.340 -0.002 0.000 0.205 185 L C 2.214 179.109 176.870 0.040 0.000 1.079 185 L CA 0.788 55.688 54.840 0.100 0.000 0.752 185 L CB -0.284 41.840 42.059 0.108 0.000 0.906 185 L HN 0.179 nan 8.230 nan 0.000 0.436 186 L N -0.239 120.897 121.223 -0.146 0.000 2.456 186 L HA -0.110 4.229 4.340 -0.002 0.000 0.224 186 L C 2.552 179.394 176.870 -0.047 0.000 1.148 186 L CA 0.947 55.544 54.840 -0.404 0.000 0.825 186 L CB -0.461 41.349 42.059 -0.414 0.000 0.937 186 L HN 0.368 nan 8.230 nan 0.000 0.450 187 S N -2.268 113.466 115.700 0.057 0.000 2.562 187 S HA -0.084 4.385 4.470 -0.002 0.000 0.221 187 S C 0.842 175.538 174.600 0.160 0.000 0.975 187 S CA -0.204 58.062 58.200 0.110 0.000 0.918 187 S CB -0.288 62.976 63.200 0.105 0.000 0.772 187 S HN 0.302 nan 8.310 nan 0.000 0.531 188 D N 2.164 122.693 120.400 0.216 0.000 2.374 188 D HA 0.171 4.810 4.640 -0.002 0.000 0.240 188 D C 0.668 177.131 176.300 0.272 0.000 1.229 188 D CA -0.050 54.098 54.000 0.247 0.000 0.895 188 D CB 0.762 41.731 40.800 0.283 0.000 1.046 188 D HN 0.329 nan 8.370 nan 0.000 0.498 189 K N 2.104 122.617 120.400 0.188 0.000 2.281 189 K HA -0.233 4.086 4.320 -0.002 0.000 0.203 189 K C 1.571 178.211 176.600 0.067 0.000 1.046 189 K CA 0.862 57.233 56.287 0.139 0.000 0.938 189 K CB -0.050 32.519 32.500 0.114 0.000 0.737 189 K HN 0.512 nan 8.250 nan 0.000 0.458 190 H N -0.331 118.705 119.070 -0.057 0.000 2.387 190 H HA -0.135 4.420 4.556 -0.002 0.000 0.299 190 H C 1.162 176.193 175.328 -0.496 0.000 1.090 190 H CA 1.755 57.628 56.048 -0.291 0.000 1.332 190 H CB 0.120 29.605 29.762 -0.461 0.000 1.386 190 H HN 0.236 nan 8.280 nan 0.000 0.516 191 Y N -1.896 118.266 120.300 -0.229 0.000 2.503 191 Y HA 0.202 4.751 4.550 -0.001 0.000 0.277 191 Y C -0.133 175.208 175.900 -0.933 0.000 1.102 191 Y CA -0.117 57.635 58.100 -0.581 0.000 1.261 191 Y CB 0.560 38.642 38.460 -0.629 0.000 1.096 191 Y HN 0.000 nan 8.280 nan 0.000 0.546 192 F N 0.850 120.728 119.950 -0.120 0.000 2.500 192 F HA 0.448 4.975 4.527 -0.001 0.000 0.349 192 F C -2.595 173.201 175.800 -0.007 0.000 1.127 192 F CA -3.413 54.406 58.000 -0.302 0.000 0.998 192 F CB 1.049 39.717 39.000 -0.555 0.000 1.237 192 F HN -0.295 nan 8.300 nan 0.000 0.439 193 P HA -0.016 nan 4.420 nan 0.000 0.260 193 P C -1.994 175.467 177.300 0.269 0.000 1.172 193 P CA -0.560 62.668 63.100 0.213 0.000 0.760 193 P CB 0.419 32.234 31.700 0.193 0.000 0.773 194 P HA -0.142 nan 4.420 nan 0.000 0.222 194 P C 1.311 178.671 177.300 0.100 0.000 1.147 194 P CA 1.467 64.652 63.100 0.142 0.000 0.790 194 P CB -0.221 31.541 31.700 0.103 0.000 0.780 195 E N -0.266 119.980 120.200 0.076 0.000 2.418 195 E HA -0.002 4.347 4.350 -0.002 0.000 0.197 195 E C 0.835 177.422 176.600 -0.022 0.000 1.026 195 E CA 0.534 56.949 56.400 0.026 0.000 0.862 195 E CB -0.824 28.885 29.700 0.016 0.000 0.799 195 E HN 0.269 nan 8.360 nan 0.000 0.518 196 I N 0.755 121.305 120.570 -0.035 0.000 2.441 196 I HA 0.264 4.433 4.170 -0.002 0.000 0.295 196 I C -0.828 175.153 176.117 -0.228 0.000 0.994 196 I CA -1.093 60.062 61.300 -0.243 0.000 1.144 196 I CB 2.205 39.856 38.000 -0.582 0.000 1.314 196 I HN -0.030 nan 8.210 nan 0.000 0.445 197 D N 5.476 125.725 120.400 -0.250 0.000 2.411 197 D HA 0.182 4.821 4.640 -0.002 0.000 0.225 197 D C 0.398 176.550 176.300 -0.247 0.000 1.156 197 D CA -0.207 53.706 54.000 -0.146 0.000 0.874 197 D CB 0.494 41.230 40.800 -0.107 0.000 1.034 197 D HN 0.277 nan 8.370 nan 0.000 0.502 198 F N 1.230 121.110 119.950 -0.116 0.000 2.771 198 F HA -0.041 4.485 4.527 -0.002 0.000 0.299 198 F C 2.408 178.139 175.800 -0.114 0.000 1.177 198 F CA 0.779 58.720 58.000 -0.097 0.000 1.450 198 F CB -0.043 38.846 39.000 -0.184 0.000 1.114 198 F HN 0.373 nan 8.300 nan 0.000 0.587 199 T N -4.609 109.863 114.554 -0.137 0.000 3.122 199 T HA 0.059 4.408 4.350 -0.002 0.000 0.250 199 T C 0.555 175.076 174.700 -0.299 0.000 1.067 199 T CA 0.202 62.061 62.100 -0.403 0.000 0.966 199 T CB -0.115 68.242 68.868 -0.853 0.000 1.002 199 T HN 0.102 nan 8.240 nan 0.000 0.542 200 D N 1.277 121.572 120.400 -0.175 0.000 2.908 200 D HA 0.314 4.953 4.640 -0.002 0.000 0.361 200 D C -0.331 175.898 176.300 -0.118 0.000 1.416 200 D CA -0.437 53.487 54.000 -0.126 0.000 0.796 200 D CB 0.764 41.501 40.800 -0.105 0.000 1.185 200 D HN 0.377 nan 8.370 nan 0.000 0.451 201 V N -2.623 117.231 119.914 -0.100 0.000 3.078 201 V HA 0.986 5.105 4.120 -0.002 0.000 0.311 201 V C 0.748 176.813 176.094 -0.048 0.000 1.138 201 V CA -0.735 61.510 62.300 -0.092 0.000 1.007 201 V CB 1.307 33.048 31.823 -0.137 0.000 1.045 201 V HN 0.033 nan 8.190 nan 0.000 0.432 202 G N 0.545 109.309 108.800 -0.059 0.000 2.599 202 G HA2 0.325 4.284 3.960 -0.002 0.000 0.264 202 G HA3 0.325 4.284 3.960 -0.002 0.000 0.264 202 G C 0.203 175.080 174.900 -0.038 0.000 1.200 202 G CA 0.230 45.301 45.100 -0.049 0.000 0.896 202 G HN 1.417 nan 8.290 nan 0.000 0.536 203 Y N -1.065 119.217 120.300 -0.031 0.000 2.207 203 Y HA -0.127 4.422 4.550 -0.002 0.000 0.287 203 Y C 2.603 178.547 175.900 0.073 0.000 1.156 203 Y CA 2.001 60.072 58.100 -0.048 0.000 1.182 203 Y CB -1.096 37.391 38.460 0.045 0.000 0.979 203 Y HN 0.327 nan 8.280 nan 0.000 0.521 204 T N 0.122 114.326 114.554 -0.583 0.000 2.746 204 T HA -0.186 4.163 4.350 -0.002 0.000 0.267 204 T C 1.719 176.421 174.700 0.003 0.000 1.039 204 T CA 2.217 64.170 62.100 -0.244 0.000 1.142 204 T CB -0.691 67.942 68.868 -0.391 0.000 0.866 204 T HN 0.554 nan 8.240 nan 0.000 0.444 205 T N 1.648 116.173 114.554 -0.047 0.000 2.788 205 T HA -0.032 4.317 4.350 -0.002 0.000 0.268 205 T C 1.531 176.290 174.700 0.098 0.000 1.044 205 T CA 0.880 62.979 62.100 -0.000 0.000 1.139 205 T CB -0.498 68.326 68.868 -0.072 0.000 0.867 205 T HN 0.351 nan 8.240 nan 0.000 0.454 206 F N 0.399 120.311 119.950 -0.062 0.000 2.095 206 F HA -0.103 4.424 4.527 -0.001 0.000 0.298 206 F C 1.802 177.606 175.800 0.007 0.000 1.104 206 F CA 1.245 59.231 58.000 -0.024 0.000 1.232 206 F CB -0.404 38.364 39.000 -0.387 0.000 0.987 206 F HN 0.253 nan 8.300 nan 0.000 0.475 207 W N 0.015 121.570 121.300 0.426 0.000 2.418 207 W HA -0.093 4.566 4.660 -0.002 0.000 0.292 207 W C 2.905 179.512 176.519 0.147 0.000 1.213 207 W CA 0.942 58.453 57.345 0.276 0.000 1.283 207 W CB -0.894 28.722 29.460 0.259 0.000 1.119 207 W HN 0.103 nan 8.180 nan 0.000 0.542 208 S N -0.072 115.824 115.700 0.328 0.000 2.406 208 S HA -0.109 4.360 4.470 -0.002 0.000 0.228 208 S C 1.467 176.157 174.600 0.150 0.000 1.020 208 S CA 1.048 59.370 58.200 0.204 0.000 0.965 208 S CB -0.330 62.955 63.200 0.141 0.000 0.798 208 S HN 0.191 nan 8.310 nan 0.000 0.488 209 E N 1.945 122.243 120.200 0.163 0.000 2.400 209 E HA 0.131 4.480 4.350 -0.002 0.000 0.195 209 E C 0.934 177.647 176.600 0.188 0.000 1.012 209 E CA 0.417 56.922 56.400 0.175 0.000 0.875 209 E CB 0.242 30.042 29.700 0.168 0.000 0.859 209 E HN 0.736 nan 8.360 nan 0.000 0.498 210 S N 0.652 116.394 115.700 0.071 0.000 2.652 210 S HA 0.308 4.777 4.470 -0.002 0.000 0.270 210 S C 0.292 174.789 174.600 -0.172 0.000 1.243 210 S CA -0.900 57.150 58.200 -0.251 0.000 0.999 210 S CB 1.389 64.242 63.200 -0.578 0.000 0.973 210 S HN 0.068 nan 8.310 nan 0.000 0.544 211 L N 1.508 122.548 121.223 -0.305 0.000 2.514 211 L HA 0.138 4.477 4.340 -0.002 0.000 0.280 211 L C 1.830 178.697 176.870 -0.005 0.000 1.223 211 L CA 0.530 55.264 54.840 -0.177 0.000 0.864 211 L CB -0.093 41.788 42.059 -0.296 0.000 1.118 211 L HN 1.026 nan 8.230 nan 0.000 0.494 212 E N 3.201 123.448 120.200 0.078 0.000 2.114 212 E HA -0.301 4.048 4.350 -0.002 0.000 0.199 212 E C 1.701 178.436 176.600 0.225 0.000 1.008 212 E CA 1.594 58.106 56.400 0.187 0.000 0.810 212 E CB 0.009 29.866 29.700 0.262 0.000 0.739 212 E HN 0.911 nan 8.360 nan 0.000 0.456 213 A N 0.434 123.381 122.820 0.212 0.000 1.986 213 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 213 A C 2.377 180.117 177.584 0.260 0.000 1.171 213 A CA 1.606 53.793 52.037 0.249 0.000 0.640 213 A CB -0.643 18.514 19.000 0.261 0.000 0.811 213 A HN 0.252 nan 8.150 nan 0.000 0.451 214 V N 0.354 120.420 119.914 0.253 0.000 2.295 214 V HA -0.257 3.862 4.120 -0.002 0.000 0.246 214 V C 2.378 178.810 176.094 0.564 0.000 1.049 214 V CA 2.474 65.001 62.300 0.380 0.000 1.024 214 V CB -0.752 31.224 31.823 0.255 0.000 0.648 214 V HN 0.736 nan 8.190 nan 0.000 0.447 215 D N 0.017 120.675 120.400 0.430 0.000 2.117 215 D HA -0.134 4.505 4.640 -0.002 0.000 0.198 215 D C 1.981 178.349 176.300 0.113 0.000 0.982 215 D CA 1.391 55.520 54.000 0.215 0.000 0.828 215 D CB -0.171 40.731 40.800 0.171 0.000 0.967 215 D HN 0.422 nan 8.370 nan 0.000 0.464 216 I N 0.477 121.152 120.570 0.175 0.000 2.226 216 I HA -0.184 3.985 4.170 -0.002 0.000 0.245 216 I C 2.235 178.444 176.117 0.152 0.000 1.100 216 I CA 0.939 62.329 61.300 0.150 0.000 1.374 216 I CB -0.241 37.893 38.000 0.224 0.000 1.057 216 I HN 0.049 nan 8.210 nan 0.000 0.413 217 E N 0.140 120.453 120.200 0.189 0.000 2.106 217 E HA -0.218 4.131 4.350 -0.002 0.000 0.192 217 E C 2.082 178.722 176.600 0.066 0.000 0.984 217 E CA 1.415 57.891 56.400 0.125 0.000 0.806 217 E CB -0.338 29.419 29.700 0.095 0.000 0.750 217 E HN 0.614 nan 8.360 nan 0.000 0.458 218 H N 0.143 119.294 119.070 0.136 0.000 2.395 218 H HA 0.088 4.643 4.556 -0.002 0.000 0.299 218 H C 2.226 177.660 175.328 0.178 0.000 1.070 218 H CA 1.255 57.401 56.048 0.165 0.000 1.356 218 H CB 0.127 29.997 29.762 0.180 0.000 1.401 218 H HN -0.014 nan 8.280 nan 0.000 0.524 219 R N 0.044 120.616 120.500 0.119 0.000 2.075 219 R HA -0.050 4.289 4.340 -0.002 0.000 0.232 219 R C 2.464 178.827 176.300 0.105 0.000 1.126 219 R CA 0.991 57.115 56.100 0.040 0.000 0.963 219 R CB -0.180 30.072 30.300 -0.079 0.000 0.858 219 R HN 0.292 nan 8.270 nan 0.000 0.435 220 A N 1.164 124.038 122.820 0.090 0.000 1.877 220 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 220 A C 2.353 180.016 177.584 0.131 0.000 1.186 220 A CA 1.691 53.769 52.037 0.069 0.000 0.620 220 A CB -0.673 18.376 19.000 0.081 0.000 0.822 220 A HN 0.396 nan 8.150 nan 0.000 0.443 221 A N -1.574 121.353 122.820 0.179 0.000 1.933 221 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 221 A C 2.096 179.863 177.584 0.305 0.000 1.175 221 A CA 1.292 53.453 52.037 0.208 0.000 0.628 221 A CB -0.804 18.273 19.000 0.128 0.000 0.814 221 A HN 0.836 nan 8.150 nan 0.000 0.444 222 W N 0.192 121.613 121.300 0.201 0.000 2.379 222 W HA -0.164 4.495 4.660 -0.002 0.000 0.307 222 W C 1.776 178.261 176.519 -0.058 0.000 1.200 222 W CA 1.815 59.175 57.345 0.025 0.000 1.297 222 W CB -0.353 29.060 29.460 -0.078 0.000 1.140 222 W HN 0.366 nan 8.180 nan 0.000 0.507 223 L N 1.147 122.469 121.223 0.165 0.000 2.056 223 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 223 L C 2.390 179.240 176.870 -0.034 0.000 1.078 223 L CA 1.885 56.726 54.840 0.001 0.000 0.749 223 L CB -1.186 40.835 42.059 -0.064 0.000 0.901 223 L HN -0.083 nan 8.230 nan 0.000 0.433 224 L N -0.756 120.490 121.223 0.038 0.000 2.201 224 L HA -0.101 4.238 4.340 -0.002 0.000 0.212 224 L C 2.618 179.503 176.870 0.025 0.000 1.105 224 L CA 0.847 55.736 54.840 0.081 0.000 0.775 224 L CB -0.871 41.285 42.059 0.161 0.000 0.913 224 L HN 0.364 nan 8.230 nan 0.000 0.440 225 A N 0.503 123.300 122.820 -0.039 0.000 1.902 225 A HA -0.250 4.070 4.320 -0.002 0.000 0.217 225 A C 2.317 179.800 177.584 -0.168 0.000 1.181 225 A CA 1.976 53.952 52.037 -0.103 0.000 0.623 225 A CB -0.343 18.539 19.000 -0.195 0.000 0.818 225 A HN 0.251 nan 8.150 nan 0.000 0.443 226 K N 0.165 120.412 120.400 -0.254 0.000 2.057 226 K HA -0.179 4.140 4.320 -0.002 0.000 0.207 226 K C 2.183 178.644 176.600 -0.231 0.000 1.049 226 K CA 2.011 58.099 56.287 -0.331 0.000 0.931 226 K CB -0.428 31.783 32.500 -0.481 0.000 0.714 226 K HN 0.589 nan 8.250 nan 0.000 0.440 227 Q N 0.382 120.119 119.800 -0.105 0.000 2.096 227 Q HA -0.207 4.132 4.340 -0.002 0.000 0.204 227 Q C 1.726 177.754 176.000 0.046 0.000 0.982 227 Q CA 1.856 57.664 55.803 0.009 0.000 0.850 227 Q CB -0.051 28.766 28.738 0.131 0.000 0.901 227 Q HN 0.494 nan 8.270 nan 0.000 0.422 228 E N -0.043 120.195 120.200 0.064 0.000 2.077 228 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 228 E C 2.172 178.899 176.600 0.211 0.000 0.989 228 E CA 1.009 57.489 56.400 0.134 0.000 0.800 228 E CB 0.012 29.776 29.700 0.106 0.000 0.746 228 E HN 0.347 nan 8.360 nan 0.000 0.452 229 R N 0.647 121.200 120.500 0.089 0.000 2.120 229 R HA -0.076 4.263 4.340 -0.002 0.000 0.234 229 R C 2.021 178.458 176.300 0.228 0.000 1.123 229 R CA 0.940 57.102 56.100 0.104 0.000 0.975 229 R CB -0.225 30.038 30.300 -0.062 0.000 0.866 229 R HN 0.149 nan 8.270 nan 0.000 0.446 230 N N 0.076 118.829 118.700 0.088 0.000 2.058 230 N HA -0.067 4.672 4.740 -0.002 0.000 0.191 230 N C 1.074 176.807 175.510 0.372 0.000 1.037 230 N CA 1.488 54.614 53.050 0.127 0.000 0.848 230 N CB -0.353 37.985 38.487 -0.248 0.000 1.021 230 N HN 0.342 nan 8.380 nan 0.000 0.422 231 G N -0.070 108.802 108.800 0.120 0.000 2.746 231 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.685 231 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.685 231 G C -1.244 173.716 174.900 0.100 0.000 1.350 231 G CA -0.593 44.407 45.100 -0.166 0.000 0.837 231 G HN 0.191 nan 8.290 nan 0.000 0.564 232 F N 2.176 122.121 119.950 -0.008 0.000 2.402 232 F HA 0.617 5.143 4.527 -0.002 0.000 0.355 232 F C -1.873 173.981 175.800 0.089 0.000 1.123 232 F CA -2.784 55.291 58.000 0.125 0.000 1.021 232 F CB 1.832 40.962 39.000 0.217 0.000 1.160 232 F HN 0.244 nan 8.300 nan 0.000 0.451 233 P HA -0.009 nan 4.420 nan 0.000 0.262 233 P C -1.210 176.264 177.300 0.290 0.000 1.182 233 P CA 0.610 63.848 63.100 0.231 0.000 0.761 233 P CB 0.160 31.960 31.700 0.166 0.000 0.795 234 F N 2.892 122.770 119.950 -0.120 0.000 2.540 234 F HA 0.323 4.849 4.527 -0.002 0.000 0.317 234 F C -0.179 175.358 175.800 -0.438 0.000 1.104 234 F CA -0.980 56.773 58.000 -0.411 0.000 0.913 234 F CB 1.529 40.245 39.000 -0.475 0.000 1.170 234 F HN 0.106 nan 8.300 nan 0.000 0.450 235 D N 4.195 123.789 120.400 -1.343 0.000 2.517 235 D HA 0.136 4.775 4.640 -0.002 0.000 0.220 235 D C 1.019 176.722 176.300 -0.996 0.000 1.158 235 D CA 0.247 53.573 54.000 -1.123 0.000 0.992 235 D CB 0.807 40.832 40.800 -1.292 0.000 1.058 235 D HN 0.681 nan 8.370 nan 0.000 0.516 236 T N 1.735 115.963 114.554 -0.544 0.000 2.665 236 T HA -0.238 4.111 4.350 -0.002 0.000 0.268 236 T C 2.181 176.786 174.700 -0.158 0.000 1.035 236 T CA 2.426 64.411 62.100 -0.192 0.000 1.151 236 T CB -0.070 68.830 68.868 0.053 0.000 0.862 236 T HN 0.537 nan 8.240 nan 0.000 0.438 237 K N 1.277 121.585 120.400 -0.153 0.000 2.063 237 K HA 0.200 4.519 4.320 -0.002 0.000 0.208 237 K C 2.544 179.082 176.600 -0.103 0.000 1.048 237 K CA 1.678 57.910 56.287 -0.092 0.000 0.928 237 K CB -1.367 31.088 32.500 -0.075 0.000 0.713 237 K HN 0.496 nan 8.250 nan 0.000 0.442 238 A N 0.872 123.579 122.820 -0.188 0.000 1.902 238 A HA -0.004 4.315 4.320 -0.002 0.000 0.217 238 A C 2.282 179.807 177.584 -0.099 0.000 1.181 238 A CA 1.632 53.578 52.037 -0.151 0.000 0.623 238 A CB -0.210 18.658 19.000 -0.220 0.000 0.818 238 A HN 0.442 nan 8.150 nan 0.000 0.443 239 I N 0.179 120.661 120.570 -0.146 0.000 2.439 239 I HA -0.155 4.014 4.170 -0.002 0.000 0.251 239 I C 2.187 178.362 176.117 0.098 0.000 1.139 239 I CA 1.167 62.479 61.300 0.020 0.000 1.438 239 I CB -1.590 36.493 38.000 0.139 0.000 1.085 239 I HN 0.475 nan 8.210 nan 0.000 0.427 240 E N 0.811 121.056 120.200 0.075 0.000 2.110 240 E HA -0.212 4.138 4.350 -0.002 0.000 0.193 240 E C 1.901 178.569 176.600 0.114 0.000 0.988 240 E CA 1.058 57.537 56.400 0.133 0.000 0.804 240 E CB -0.031 29.721 29.700 0.087 0.000 0.745 240 E HN 0.588 nan 8.360 nan 0.000 0.458 241 E N 0.564 120.795 120.200 0.051 0.000 2.158 241 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 241 E C 2.099 178.721 176.600 0.037 0.000 0.982 241 E CA 0.336 56.754 56.400 0.028 0.000 0.823 241 E CB 0.005 29.710 29.700 0.009 0.000 0.766 241 E HN 0.093 nan 8.360 nan 0.000 0.468 242 L N 0.535 121.792 121.223 0.057 0.000 2.093 242 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 242 L C 2.254 179.159 176.870 0.059 0.000 1.085 242 L CA 1.542 56.412 54.840 0.050 0.000 0.755 242 L CB -0.510 41.588 42.059 0.065 0.000 0.904 242 L HN 0.093 nan 8.230 nan 0.000 0.435 243 Y N -0.476 119.795 120.300 -0.049 0.000 2.224 243 Y HA -0.168 4.381 4.550 -0.002 0.000 0.289 243 Y C 2.256 178.117 175.900 -0.064 0.000 1.146 243 Y CA 1.740 59.800 58.100 -0.066 0.000 1.182 243 Y CB -0.713 37.725 38.460 -0.036 0.000 0.983 243 Y HN 0.045 nan 8.280 nan 0.000 0.524 244 V N 0.703 120.526 119.914 -0.151 0.000 2.295 244 V HA -0.291 3.828 4.120 -0.002 0.000 0.246 244 V C 2.432 178.432 176.094 -0.157 0.000 1.049 244 V CA 2.241 64.403 62.300 -0.232 0.000 1.024 244 V CB -0.727 31.025 31.823 -0.120 0.000 0.648 244 V HN 0.451 nan 8.190 nan 0.000 0.447 245 E N 0.179 120.330 120.200 -0.081 0.000 2.058 245 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 245 E C 2.236 178.789 176.600 -0.079 0.000 0.997 245 E CA 1.636 58.006 56.400 -0.049 0.000 0.801 245 E CB -0.146 29.553 29.700 -0.001 0.000 0.746 245 E HN 0.573 nan 8.360 nan 0.000 0.450 246 L N 0.371 121.517 121.223 -0.127 0.000 2.046 246 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 246 L C 2.756 179.544 176.870 -0.137 0.000 1.077 246 L CA 1.048 55.786 54.840 -0.171 0.000 0.747 246 L CB -0.543 41.394 42.059 -0.204 0.000 0.896 246 L HN 0.212 nan 8.230 nan 0.000 0.432 247 A N 0.161 122.877 122.820 -0.173 0.000 1.908 247 A HA -0.186 4.133 4.320 -0.002 0.000 0.218 247 A C 2.530 180.038 177.584 -0.128 0.000 1.181 247 A CA 1.851 53.770 52.037 -0.196 0.000 0.627 247 A CB -0.684 18.076 19.000 -0.400 0.000 0.818 247 A HN 0.411 nan 8.150 nan 0.000 0.445 248 A N -0.446 122.307 122.820 -0.112 0.000 1.898 248 A HA -0.103 4.216 4.320 -0.002 0.000 0.216 248 A C 2.179 179.748 177.584 -0.025 0.000 1.181 248 A CA 1.999 53.999 52.037 -0.060 0.000 0.620 248 A CB -0.397 18.573 19.000 -0.050 0.000 0.819 248 A HN 0.439 nan 8.150 nan 0.000 0.442 249 R N 0.220 120.706 120.500 -0.023 0.000 2.092 249 R HA -0.057 4.282 4.340 -0.002 0.000 0.231 249 R C 2.222 178.531 176.300 0.015 0.000 1.119 249 R CA 1.830 57.937 56.100 0.011 0.000 0.970 249 R CB -0.622 29.696 30.300 0.029 0.000 0.864 249 R HN 0.571 nan 8.270 nan 0.000 0.440 250 R N -0.392 120.084 120.500 -0.040 0.000 2.073 250 R HA -0.066 4.273 4.340 -0.002 0.000 0.234 250 R C 1.929 178.286 176.300 0.095 0.000 1.134 250 R CA 2.027 58.093 56.100 -0.056 0.000 0.952 250 R CB -0.337 29.857 30.300 -0.175 0.000 0.850 250 R HN 0.223 nan 8.270 nan 0.000 0.433 251 S N 0.548 116.279 115.700 0.051 0.000 2.370 251 S HA -0.172 4.297 4.470 -0.002 0.000 0.226 251 S C 1.671 176.322 174.600 0.086 0.000 1.033 251 S CA 1.563 59.806 58.200 0.071 0.000 1.011 251 S CB -0.278 62.936 63.200 0.023 0.000 0.852 251 S HN 0.398 nan 8.310 nan 0.000 0.457 252 E N 1.563 121.805 120.200 0.069 0.000 2.072 252 E HA -0.032 4.317 4.350 -0.002 0.000 0.191 252 E C 1.842 178.503 176.600 0.101 0.000 0.985 252 E CA 0.995 57.436 56.400 0.068 0.000 0.801 252 E CB -0.436 29.294 29.700 0.050 0.000 0.750 252 E HN 0.476 nan 8.360 nan 0.000 0.452 253 L N -0.161 121.153 121.223 0.151 0.000 2.056 253 L HA -0.125 4.214 4.340 -0.002 0.000 0.207 253 L C 2.429 179.422 176.870 0.205 0.000 1.078 253 L CA 0.791 55.754 54.840 0.205 0.000 0.749 253 L CB -0.467 41.789 42.059 0.329 0.000 0.901 253 L HN 0.246 nan 8.230 nan 0.000 0.433 254 L N 0.087 121.453 121.223 0.238 0.000 2.046 254 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 254 L C 2.737 179.680 176.870 0.122 0.000 1.077 254 L CA 1.643 56.583 54.840 0.167 0.000 0.747 254 L CB -0.586 41.591 42.059 0.197 0.000 0.896 254 L HN 0.122 nan 8.230 nan 0.000 0.432 255 R N -0.335 120.225 120.500 0.101 0.000 2.083 255 R HA -0.205 4.134 4.340 -0.002 0.000 0.237 255 R C 2.305 178.638 176.300 0.054 0.000 1.137 255 R CA 1.979 58.119 56.100 0.067 0.000 0.951 255 R CB -0.158 30.172 30.300 0.051 0.000 0.851 255 R HN 0.383 nan 8.270 nan 0.000 0.434 256 K N 0.093 120.526 120.400 0.055 0.000 2.097 256 K HA -0.081 4.238 4.320 -0.002 0.000 0.205 256 K C 2.144 178.747 176.600 0.005 0.000 1.050 256 K CA 1.166 57.467 56.287 0.023 0.000 0.938 256 K CB -0.031 32.486 32.500 0.028 0.000 0.718 256 K HN 0.223 nan 8.250 nan 0.000 0.442 257 L N 0.691 121.957 121.223 0.072 0.000 2.109 257 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 257 L C 2.563 179.501 176.870 0.114 0.000 1.086 257 L CA 1.362 56.271 54.840 0.114 0.000 0.760 257 L CB -0.704 41.529 42.059 0.290 0.000 0.910 257 L HN 0.332 nan 8.230 nan 0.000 0.437 258 T N -3.311 111.335 114.554 0.153 0.000 2.951 258 T HA -0.103 4.246 4.350 -0.002 0.000 0.268 258 T C 1.938 176.669 174.700 0.052 0.000 1.073 258 T CA 1.198 63.391 62.100 0.155 0.000 1.134 258 T CB -0.426 68.523 68.868 0.134 0.000 0.884 258 T HN 0.451 nan 8.240 nan 0.000 0.479 259 E N 1.726 121.926 120.200 -0.001 0.000 2.046 259 E HA -0.085 4.264 4.350 -0.002 0.000 0.190 259 E C 2.285 178.815 176.600 -0.117 0.000 0.982 259 E CA 1.741 58.117 56.400 -0.039 0.000 0.800 259 E CB -1.734 27.942 29.700 -0.040 0.000 0.756 259 E HN 0.687 nan 8.360 nan 0.000 0.449 260 T N -0.039 114.374 114.554 -0.235 0.000 2.737 260 T HA 0.091 4.440 4.350 -0.002 0.000 0.265 260 T C 0.001 174.336 174.700 -0.608 0.000 1.038 260 T CA 0.918 62.725 62.100 -0.489 0.000 1.144 260 T CB -0.224 68.183 68.868 -0.768 0.000 0.866 260 T HN 0.310 nan 8.240 nan 0.000 0.434 261 F N 1.615 121.416 119.950 -0.249 0.000 2.332 261 F HA 0.590 5.117 4.527 -0.002 0.000 0.368 261 F C 0.958 176.709 175.800 -0.082 0.000 1.110 261 F CA -1.730 56.082 58.000 -0.314 0.000 1.087 261 F CB 0.549 39.004 39.000 -0.908 0.000 1.235 261 F HN 0.016 nan 8.300 nan 0.000 0.470 262 G N 1.332 110.233 108.800 0.168 0.000 2.572 262 G HA2 0.409 4.368 3.960 -0.002 0.000 0.261 262 G HA3 0.409 4.368 3.960 -0.002 0.000 0.261 262 G C -0.054 175.045 174.900 0.333 0.000 1.197 262 G CA -0.587 44.631 45.100 0.196 0.000 0.870 262 G HN 0.675 nan 8.290 nan 0.000 0.548 263 S N -0.738 115.079 115.700 0.196 0.000 2.608 263 S HA 0.668 5.137 4.470 -0.002 0.000 0.261 263 S C -0.451 174.285 174.600 0.227 0.000 1.314 263 S CA -0.065 58.130 58.200 -0.010 0.000 0.992 263 S CB 0.702 63.673 63.200 -0.382 0.000 0.935 263 S HN 1.146 nan 8.310 nan 0.000 0.564 264 W N -1.701 119.535 121.300 -0.107 0.000 2.961 264 W HA 0.726 5.386 4.660 -0.002 0.000 0.368 264 W C -2.418 174.053 176.519 -0.081 0.000 1.213 264 W CA -1.487 55.863 57.345 0.008 0.000 1.173 264 W CB 0.358 29.831 29.460 0.022 0.000 1.487 264 W HN 0.542 nan 8.180 nan 0.000 0.585 265 Y N 1.870 122.367 120.300 0.329 0.000 2.409 265 Y HA 0.544 5.093 4.550 -0.002 0.000 0.339 265 Y C 0.347 176.411 175.900 0.273 0.000 1.033 265 Y CA -0.792 57.427 58.100 0.199 0.000 1.094 265 Y CB 2.111 40.668 38.460 0.161 0.000 1.210 265 Y HN 0.325 nan 8.280 nan 0.000 0.456 266 Q N 3.288 123.273 119.800 0.309 0.000 2.421 266 Q HA 0.430 4.769 4.340 -0.002 0.000 0.280 266 Q C -2.830 173.285 176.000 0.191 0.000 1.085 266 Q CA -2.574 53.386 55.803 0.261 0.000 0.807 266 Q CB 2.500 31.380 28.738 0.238 0.000 1.405 266 Q HN 0.328 nan 8.270 nan 0.000 0.419 267 P HA 0.063 nan 4.420 nan 0.000 0.268 267 P C -1.052 176.307 177.300 0.099 0.000 1.205 267 P CA 0.096 63.263 63.100 0.111 0.000 0.771 267 P CB 0.451 32.201 31.700 0.084 0.000 0.858 268 K N 1.992 122.445 120.400 0.087 0.000 2.582 268 K HA 0.508 4.827 4.320 -0.002 0.000 0.259 268 K C 0.169 176.805 176.600 0.059 0.000 0.973 268 K CA 0.189 56.519 56.287 0.072 0.000 0.880 268 K CB 0.211 32.758 32.500 0.078 0.000 1.310 268 K HN 0.505 nan 8.250 nan 0.000 0.443 269 G N 1.800 110.624 108.800 0.039 0.000 2.157 269 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.239 269 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.239 269 G C 0.468 175.365 174.900 -0.004 0.000 0.982 269 G CA -0.080 45.035 45.100 0.025 0.000 0.650 269 G HN 1.062 nan 8.290 nan 0.000 0.527 270 G N -0.348 108.446 108.800 -0.011 0.000 2.365 270 G HA2 0.496 4.455 3.960 -0.002 0.000 0.249 270 G HA3 0.496 4.455 3.960 -0.002 0.000 0.249 270 G C 0.865 175.744 174.900 -0.034 0.000 1.288 270 G CA 1.188 46.260 45.100 -0.047 0.000 0.887 270 G HN 0.828 nan 8.290 nan 0.000 0.524 271 T N 0.835 115.354 114.554 -0.058 0.000 2.914 271 T HA 0.057 4.406 4.350 -0.002 0.000 0.240 271 T C 1.157 175.844 174.700 -0.022 0.000 1.025 271 T CA 1.112 63.190 62.100 -0.037 0.000 1.198 271 T CB -0.346 68.493 68.868 -0.049 0.000 0.892 271 T HN 0.706 nan 8.240 nan 0.000 0.417 272 E N 0.949 121.131 120.200 -0.031 0.000 2.314 272 E HA 0.340 4.689 4.350 -0.002 0.000 0.262 272 E C -0.378 176.234 176.600 0.020 0.000 1.093 272 E CA -0.717 55.677 56.400 -0.010 0.000 0.908 272 E CB 0.885 30.573 29.700 -0.020 0.000 1.091 272 E HN 0.449 nan 8.360 nan 0.000 0.425 273 M N 1.975 121.593 119.600 0.030 0.000 2.235 273 M HA 0.205 4.684 4.480 -0.002 0.000 0.351 273 M C -0.899 175.455 176.300 0.090 0.000 1.178 273 M CA -0.653 54.688 55.300 0.068 0.000 1.143 273 M CB 0.498 33.126 32.600 0.047 0.000 1.530 273 M HN 0.596 nan 8.290 nan 0.000 0.461 274 F N 4.684 124.627 119.950 -0.012 0.000 2.467 274 F HA 0.330 4.856 4.527 -0.002 0.000 0.362 274 F C -0.928 174.836 175.800 -0.061 0.000 1.090 274 F CA -0.569 57.395 58.000 -0.060 0.000 1.202 274 F CB 0.293 39.239 39.000 -0.091 0.000 1.113 274 F HN 0.481 nan 8.300 nan 0.000 0.541 275 C N 6.345 125.203 119.300 -0.736 0.000 2.417 275 C HA 0.259 4.718 4.460 -0.002 0.000 0.324 275 C C -0.012 174.479 174.990 -0.832 0.000 1.240 275 C CA -0.887 57.793 59.018 -0.564 0.000 1.632 275 C CB 0.737 28.310 27.740 -0.278 0.000 2.241 275 C HN 0.724 nan 8.230 nan 0.000 0.499 276 H N 3.396 122.126 119.070 -0.567 0.000 3.070 276 H HA 0.041 4.596 4.556 -0.002 0.000 0.313 276 H C -1.685 173.456 175.328 -0.312 0.000 0.997 276 H CA -0.442 55.350 56.048 -0.428 0.000 1.438 276 H CB 1.019 30.659 29.762 -0.204 0.000 1.455 276 H HN 0.433 nan 8.280 nan 0.000 0.575 277 P HA -0.125 nan 4.420 nan 0.000 0.220 277 P C 1.538 178.853 177.300 0.025 0.000 1.148 277 P CA 2.185 65.185 63.100 -0.166 0.000 0.803 277 P CB 0.297 31.886 31.700 -0.186 0.000 0.782 278 R N -0.371 120.292 120.500 0.272 0.000 2.055 278 R HA 0.026 4.365 4.340 -0.002 0.000 0.221 278 R C 2.256 178.612 176.300 0.092 0.000 1.154 278 R CA 2.076 58.296 56.100 0.200 0.000 0.975 278 R CB -2.279 28.172 30.300 0.252 0.000 0.869 278 R HN 0.393 nan 8.270 nan 0.000 0.437 279 T N -4.262 110.320 114.554 0.047 0.000 3.054 279 T HA 0.331 4.680 4.350 -0.002 0.000 0.259 279 T C 1.825 176.506 174.700 -0.032 0.000 1.092 279 T CA 1.309 63.370 62.100 -0.065 0.000 1.121 279 T CB 0.391 69.145 68.868 -0.189 0.000 0.912 279 T HN 1.585 nan 8.240 nan 0.000 0.489 280 G N 1.713 110.514 108.800 0.002 0.000 2.179 280 G HA2 -0.301 3.659 3.960 -0.002 0.000 0.260 280 G HA3 -0.301 3.659 3.960 -0.002 0.000 0.260 280 G C 0.028 174.898 174.900 -0.051 0.000 0.977 280 G CA 0.275 45.351 45.100 -0.040 0.000 0.641 280 G HN 0.891 nan 8.290 nan 0.000 0.533 281 K N 1.516 121.892 120.400 -0.039 0.000 2.453 281 K HA 0.313 4.632 4.320 -0.002 0.000 0.280 281 K C -2.085 174.493 176.600 -0.037 0.000 1.045 281 K CA -1.075 55.191 56.287 -0.035 0.000 1.059 281 K CB 0.400 32.876 32.500 -0.040 0.000 0.901 281 K HN 0.091 nan 8.250 nan 0.000 0.475 282 P HA -0.047 nan 4.420 nan 0.000 0.266 282 P C -0.936 176.378 177.300 0.025 0.000 1.195 282 P CA 0.263 63.349 63.100 -0.023 0.000 0.768 282 P CB 0.452 32.149 31.700 -0.004 0.000 0.838 283 L N 5.841 127.097 121.223 0.056 0.000 2.599 283 L HA 0.271 4.610 4.340 -0.002 0.000 0.241 283 L C -1.593 175.418 176.870 0.235 0.000 1.207 283 L CA -1.573 53.381 54.840 0.190 0.000 0.987 283 L CB 1.248 43.477 42.059 0.283 0.000 1.318 283 L HN 0.259 nan 8.230 nan 0.000 0.458 284 P HA -0.217 nan 4.420 nan 0.000 0.217 284 P C 1.231 178.610 177.300 0.132 0.000 1.151 284 P CA 1.217 64.389 63.100 0.120 0.000 0.849 284 P CB 0.231 31.978 31.700 0.078 0.000 0.787 285 K N -2.022 118.464 120.400 0.143 0.000 2.217 285 K HA -0.019 4.300 4.320 -0.002 0.000 0.202 285 K C 0.826 177.466 176.600 0.066 0.000 1.051 285 K CA 0.484 56.819 56.287 0.080 0.000 0.952 285 K CB -0.786 31.732 32.500 0.030 0.000 0.736 285 K HN 0.295 nan 8.250 nan 0.000 0.453 286 Y N 1.705 122.060 120.300 0.092 0.000 2.457 286 Y HA 0.021 4.570 4.550 -0.001 0.000 0.341 286 Y C -1.673 174.255 175.900 0.046 0.000 1.240 286 Y CA -1.713 56.428 58.100 0.068 0.000 1.437 286 Y CB -0.168 38.371 38.460 0.132 0.000 1.328 286 Y HN -0.008 nan 8.280 nan 0.000 0.588 287 P HA 0.049 nan 4.420 nan 0.000 0.270 287 P C -0.705 176.656 177.300 0.101 0.000 1.223 287 P CA -0.196 62.959 63.100 0.092 0.000 0.785 287 P CB 0.553 32.288 31.700 0.058 0.000 0.923 288 R N 1.852 122.392 120.500 0.067 0.000 2.594 288 R HA 0.357 4.696 4.340 -0.002 0.000 0.272 288 R C 0.569 176.864 176.300 -0.008 0.000 1.074 288 R CA -0.258 55.871 56.100 0.048 0.000 1.105 288 R CB -0.283 30.033 30.300 0.028 0.000 1.008 288 R HN 0.569 nan 8.270 nan 0.000 0.472 289 I N -1.865 118.690 120.570 -0.025 0.000 3.237 289 I HA 0.587 4.756 4.170 -0.002 0.000 0.308 289 I C -0.387 175.597 176.117 -0.221 0.000 1.093 289 I CA -1.111 60.109 61.300 -0.133 0.000 1.001 289 I CB 1.860 39.831 38.000 -0.048 0.000 1.245 289 I HN 0.174 nan 8.210 nan 0.000 0.485 290 K N 0.468 120.609 120.400 -0.431 0.000 2.464 290 K HA 0.540 4.859 4.320 -0.002 0.000 0.253 290 K C -1.442 174.949 176.600 -0.349 0.000 0.933 290 K CA -0.724 55.308 56.287 -0.426 0.000 0.801 290 K CB 2.501 34.634 32.500 -0.611 0.000 1.271 290 K HN 0.642 nan 8.250 nan 0.000 0.430 291 T N 3.587 118.044 114.554 -0.161 0.000 2.912 291 T HA 0.278 4.627 4.350 -0.002 0.000 0.326 291 T C -2.581 172.105 174.700 -0.023 0.000 1.080 291 T CA -1.513 60.554 62.100 -0.055 0.000 1.000 291 T CB 0.977 69.829 68.868 -0.026 0.000 1.008 291 T HN 0.252 nan 8.240 nan 0.000 0.473 292 P HA 0.130 nan 4.420 nan 0.000 0.261 292 P C 0.808 178.124 177.300 0.027 0.000 1.165 292 P CA 0.285 63.395 63.100 0.017 0.000 0.759 292 P CB 0.476 32.232 31.700 0.095 0.000 0.772 293 K N 2.115 122.526 120.400 0.018 0.000 2.262 293 K HA 0.206 4.525 4.320 -0.002 0.000 0.200 293 K C 0.849 177.472 176.600 0.037 0.000 1.049 293 K CA 1.453 57.753 56.287 0.022 0.000 0.979 293 K CB -0.360 32.147 32.500 0.013 0.000 0.773 293 K HN 0.499 nan 8.250 nan 0.000 0.474 294 V N -4.593 115.353 119.914 0.054 0.000 3.001 294 V HA 0.943 5.062 4.120 -0.002 0.000 0.314 294 V C -0.004 176.144 176.094 0.089 0.000 1.099 294 V CA -0.289 62.049 62.300 0.063 0.000 0.989 294 V CB 1.209 33.067 31.823 0.058 0.000 1.040 294 V HN 1.268 nan 8.190 nan 0.000 0.434 295 G N 0.129 108.973 108.800 0.074 0.000 2.627 295 G HA2 0.564 4.523 3.960 -0.002 0.000 0.680 295 G HA3 0.564 4.523 3.960 -0.002 0.000 0.680 295 G C -0.386 174.546 174.900 0.052 0.000 1.341 295 G CA 0.041 45.184 45.100 0.072 0.000 0.835 295 G HN 2.285 nan 8.290 nan 0.000 0.643 296 G N -0.722 108.094 108.800 0.027 0.000 2.682 296 G HA2 0.683 4.642 3.960 -0.002 0.000 0.303 296 G HA3 0.683 4.642 3.960 -0.002 0.000 0.303 296 G C 0.635 175.508 174.900 -0.046 0.000 1.341 296 G CA -0.017 45.093 45.100 0.017 0.000 0.784 296 G HN 0.767 nan 8.290 nan 0.000 0.497 297 I N -0.728 119.789 120.570 -0.088 0.000 2.339 297 I HA 0.272 4.441 4.170 -0.002 0.000 0.245 297 I C 0.640 176.479 176.117 -0.462 0.000 1.096 297 I CA 1.079 62.181 61.300 -0.330 0.000 1.408 297 I CB -0.875 36.845 38.000 -0.466 0.000 1.092 297 I HN 0.200 nan 8.210 nan 0.000 0.423 298 F N 0.382 120.332 119.950 0.001 0.000 2.572 298 F HA 0.464 4.991 4.527 -0.002 0.000 0.342 298 F C 0.847 176.648 175.800 0.002 0.000 1.064 298 F CA -0.823 57.177 58.000 -0.000 0.000 1.008 298 F CB 0.840 39.840 39.000 0.000 0.000 1.303 298 F HN -0.340 nan 8.300 nan 0.000 0.492 314 E N 1.456 121.734 120.200 0.130 0.000 2.344 314 E HA 0.403 4.752 4.350 -0.002 0.000 0.270 314 E C -0.716 176.008 176.600 0.206 0.000 1.021 314 E CA -0.204 56.280 56.400 0.140 0.000 0.887 314 E CB 0.562 30.308 29.700 0.077 0.000 0.997 314 E HN 0.521 nan 8.360 nan 0.000 0.429 315 L N 3.693 125.001 121.223 0.142 0.000 2.416 315 L HA 0.053 4.392 4.340 -0.002 0.000 0.272 315 L C 0.356 177.218 176.870 -0.014 0.000 1.161 315 L CA -0.118 54.736 54.840 0.023 0.000 0.845 315 L CB 0.528 42.557 42.059 -0.050 0.000 1.119 315 L HN 0.618 nan 8.230 nan 0.000 0.464 316 D N 1.757 122.119 120.400 -0.064 0.000 2.365 316 D HA 0.055 4.694 4.640 -0.002 0.000 0.237 316 D C 0.303 176.557 176.300 -0.078 0.000 1.190 316 D CA -0.178 53.794 54.000 -0.046 0.000 0.867 316 D CB 1.051 41.829 40.800 -0.037 0.000 1.050 316 D HN 0.390 nan 8.370 nan 0.000 0.491 317 T N 4.811 119.329 114.554 -0.061 0.000 3.393 317 T HA 0.130 4.479 4.350 -0.002 0.000 0.248 317 T C 0.711 175.357 174.700 -0.090 0.000 0.992 317 T CA -0.214 61.840 62.100 -0.076 0.000 0.929 317 T CB -0.126 68.707 68.868 -0.058 0.000 1.065 317 T HN 0.114 nan 8.240 nan 0.000 0.597 318 R N 0.709 121.154 120.500 -0.093 0.000 2.486 318 R HA 0.478 4.818 4.340 -0.002 0.000 0.286 318 R C 1.478 177.658 176.300 -0.200 0.000 0.999 318 R CA -0.229 55.802 56.100 -0.116 0.000 0.993 318 R CB 0.549 30.819 30.300 -0.050 0.000 1.084 318 R HN 0.311 nan 8.270 nan 0.000 0.487 319 E N 2.310 122.291 120.200 -0.366 0.000 2.274 319 E HA -0.073 4.277 4.350 -0.002 0.000 0.194 319 E C -0.134 176.112 176.600 -0.589 0.000 0.996 319 E CA 1.245 57.310 56.400 -0.559 0.000 0.840 319 E CB -0.232 28.972 29.700 -0.827 0.000 0.772 319 E HN 0.455 nan 8.360 nan 0.000 0.491 320 Y N -1.551 118.693 120.300 -0.092 0.000 2.453 320 Y HA 0.568 5.117 4.550 -0.002 0.000 0.326 320 Y C 0.082 175.963 175.900 -0.032 0.000 1.186 320 Y CA -1.881 56.176 58.100 -0.072 0.000 1.200 320 Y CB 2.048 40.485 38.460 -0.037 0.000 1.247 320 Y HN -0.079 nan 8.280 nan 0.000 0.482 321 V N 1.725 121.746 119.914 0.179 0.000 2.483 321 V HA 0.584 4.703 4.120 -0.002 0.000 0.297 321 V C -0.218 175.940 176.094 0.107 0.000 1.027 321 V CA -1.566 60.794 62.300 0.100 0.000 0.855 321 V CB 1.251 33.109 31.823 0.058 0.000 0.995 321 V HN 0.953 nan 8.190 nan 0.000 0.424 322 A N 3.707 126.577 122.820 0.084 0.000 2.573 322 A HA 0.453 4.772 4.320 -0.002 0.000 0.250 322 A C 1.602 179.221 177.584 0.059 0.000 1.049 322 A CA 1.114 53.192 52.037 0.067 0.000 0.767 322 A CB -0.689 18.342 19.000 0.053 0.000 0.965 322 A HN 2.319 nan 8.150 nan 0.000 0.514 323 G N 1.229 110.062 108.800 0.055 0.000 2.225 323 G HA2 0.115 4.074 3.960 -0.002 0.000 0.254 323 G HA3 0.115 4.074 3.960 -0.002 0.000 0.254 323 G C 0.550 175.486 174.900 0.060 0.000 0.988 323 G CA 0.387 45.514 45.100 0.046 0.000 0.625 323 G HN 2.299 nan 8.290 nan 0.000 0.527 324 A N 2.321 125.194 122.820 0.087 0.000 2.506 324 A HA 0.696 5.015 4.320 -0.002 0.000 0.320 324 A C -1.183 176.498 177.584 0.162 0.000 1.424 324 A CA -0.817 51.284 52.037 0.107 0.000 1.044 324 A CB 0.471 19.534 19.000 0.105 0.000 1.140 324 A HN 0.311 nan 8.150 nan 0.000 0.538 325 P HA 0.346 nan 4.420 nan 0.000 0.272 325 P C -1.116 176.304 177.300 0.201 0.000 1.223 325 P CA 0.371 63.543 63.100 0.120 0.000 0.784 325 P CB 0.550 32.303 31.700 0.088 0.000 0.923 326 Y N -2.655 117.655 120.300 0.017 0.000 2.670 326 Y HA 0.617 5.166 4.550 -0.002 0.000 0.334 326 Y C -1.060 174.839 175.900 -0.001 0.000 1.185 326 Y CA -1.173 56.934 58.100 0.012 0.000 1.053 326 Y CB 0.326 38.817 38.460 0.051 0.000 1.298 326 Y HN 0.144 nan 8.280 nan 0.000 0.459 327 T N 3.856 118.460 114.554 0.083 0.000 2.770 327 T HA 0.443 4.792 4.350 -0.002 0.000 0.297 327 T C -2.800 171.974 174.700 0.123 0.000 0.997 327 T CA -1.310 60.787 62.100 -0.005 0.000 0.949 327 T CB 0.825 69.698 68.868 0.008 0.000 0.941 327 T HN 0.355 nan 8.240 nan 0.000 0.457 328 P HA 0.287 nan 4.420 nan 0.000 0.268 328 P C -0.656 176.731 177.300 0.144 0.000 1.204 328 P CA -0.371 62.831 63.100 0.169 0.000 0.768 328 P CB 0.563 32.307 31.700 0.073 0.000 0.842 329 V N 0.059 120.082 119.914 0.182 0.000 3.130 329 V HA 0.784 4.904 4.120 -0.002 0.000 0.310 329 V C -0.810 175.425 176.094 0.235 0.000 1.158 329 V CA -1.181 61.241 62.300 0.203 0.000 1.029 329 V CB 2.375 34.341 31.823 0.237 0.000 1.057 329 V HN 0.618 nan 8.190 nan 0.000 0.436 330 E N 0.713 121.048 120.200 0.225 0.000 2.288 330 E HA 0.474 4.823 4.350 -0.002 0.000 0.268 330 E C -1.181 175.444 176.600 0.043 0.000 0.885 330 E CA -0.808 55.679 56.400 0.146 0.000 0.767 330 E CB 2.241 31.975 29.700 0.057 0.000 1.220 330 E HN 0.938 nan 8.360 nan 0.000 0.427 331 H N 2.011 120.936 119.070 -0.241 0.000 2.620 331 H HA 0.336 4.891 4.556 -0.002 0.000 0.313 331 H C -1.046 173.975 175.328 -0.512 0.000 1.075 331 H CA -0.722 54.944 56.048 -0.636 0.000 1.397 331 H CB 1.123 30.567 29.762 -0.531 0.000 1.446 331 H HN 0.268 nan 8.280 nan 0.000 0.493 332 V N 6.646 125.987 119.914 -0.955 0.000 2.448 332 V HA 0.161 4.280 4.120 -0.002 0.000 0.295 332 V C -0.091 175.270 176.094 -1.222 0.000 1.025 332 V CA -0.814 60.873 62.300 -1.023 0.000 0.859 332 V CB 1.573 32.670 31.823 -1.210 0.000 0.988 332 V HN 0.482 nan 8.190 nan 0.000 0.431 333 V N 4.580 124.040 119.914 -0.756 0.000 2.539 333 V HA 0.355 4.474 4.120 -0.002 0.000 0.292 333 V C 0.002 175.937 176.094 -0.265 0.000 1.045 333 V CA -0.626 61.383 62.300 -0.485 0.000 0.945 333 V CB 1.523 33.181 31.823 -0.275 0.000 0.993 333 V HN 0.725 nan 8.190 nan 0.000 0.464 334 F N 4.967 124.832 119.950 -0.143 0.000 2.612 334 F HA 0.097 4.623 4.527 -0.002 0.000 0.389 334 F C 0.491 176.380 175.800 0.148 0.000 1.055 334 F CA 0.415 58.510 58.000 0.157 0.000 1.232 334 F CB 0.083 39.228 39.000 0.243 0.000 1.044 334 F HN 0.594 nan 8.300 nan 0.000 0.560 335 N N 8.127 126.601 118.700 -0.376 0.000 2.518 335 N HA 0.379 5.118 4.740 -0.002 0.000 0.254 335 N C -2.297 172.687 175.510 -0.876 0.000 0.979 335 N CA -2.517 50.231 53.050 -0.503 0.000 0.930 335 N CB 1.744 40.011 38.487 -0.367 0.000 1.152 335 N HN 0.185 nan 8.380 nan 0.000 0.505 336 P HA -0.016 nan 4.420 nan 0.000 0.221 336 P C 0.644 177.720 177.300 -0.373 0.000 1.145 336 P CA 0.937 63.597 63.100 -0.734 0.000 0.795 336 P CB 0.438 31.494 31.700 -1.073 0.000 0.775 337 S N -1.557 113.999 115.700 -0.240 0.000 2.562 337 S HA 0.026 4.495 4.470 -0.002 0.000 0.221 337 S C 1.011 175.514 174.600 -0.162 0.000 0.975 337 S CA 0.192 58.357 58.200 -0.059 0.000 0.918 337 S CB -0.480 62.740 63.200 0.034 0.000 0.772 337 S HN 0.093 nan 8.310 nan 0.000 0.531 338 S N 1.304 116.817 115.700 -0.312 0.000 2.411 338 S HA 0.292 4.761 4.470 -0.002 0.000 0.294 338 S C 0.949 175.428 174.600 -0.201 0.000 1.115 338 S CA -0.737 57.262 58.200 -0.336 0.000 1.071 338 S CB 0.355 63.115 63.200 -0.733 0.000 0.967 338 S HN 0.305 nan 8.310 nan 0.000 0.488 339 R N 2.874 123.309 120.500 -0.108 0.000 2.237 339 R HA -0.048 4.291 4.340 -0.002 0.000 0.219 339 R C 1.165 177.466 176.300 0.001 0.000 1.080 339 R CA 1.262 57.334 56.100 -0.046 0.000 0.995 339 R CB -0.065 30.218 30.300 -0.028 0.000 0.875 339 R HN 0.660 nan 8.270 nan 0.000 0.462 340 D N -0.253 120.154 120.400 0.010 0.000 2.183 340 D HA -0.107 4.532 4.640 -0.002 0.000 0.205 340 D C 1.574 177.983 176.300 0.182 0.000 0.962 340 D CA 1.059 55.112 54.000 0.088 0.000 0.849 340 D CB 0.212 41.077 40.800 0.108 0.000 0.978 340 D HN 0.143 nan 8.370 nan 0.000 0.488 341 H N 0.144 119.218 119.070 0.006 0.000 2.321 341 H HA -0.007 4.548 4.556 -0.002 0.000 0.300 341 H C 2.176 177.536 175.328 0.053 0.000 1.087 341 H CA 1.025 57.107 56.048 0.057 0.000 1.319 341 H CB -0.511 29.224 29.762 -0.044 0.000 1.379 341 H HN 0.238 nan 8.280 nan 0.000 0.501 342 I N 0.396 121.049 120.570 0.137 0.000 2.163 342 I HA -0.313 3.857 4.170 -0.002 0.000 0.243 342 I C 2.736 178.858 176.117 0.007 0.000 1.085 342 I CA 1.645 62.978 61.300 0.056 0.000 1.347 342 I CB -0.332 37.659 38.000 -0.014 0.000 1.044 342 I HN 0.308 nan 8.210 nan 0.000 0.408 343 Q N 1.939 121.781 119.800 0.069 0.000 2.084 343 Q HA -0.281 4.059 4.340 -0.002 0.000 0.202 343 Q C 2.166 178.226 176.000 0.100 0.000 0.978 343 Q CA 1.990 57.896 55.803 0.172 0.000 0.844 343 Q CB -0.169 28.666 28.738 0.161 0.000 0.898 343 Q HN 0.482 nan 8.270 nan 0.000 0.426 344 K N 0.006 120.407 120.400 0.000 0.000 2.032 344 K HA -0.157 4.163 4.320 -0.002 0.000 0.209 344 K C 2.062 178.567 176.600 -0.158 0.000 1.048 344 K CA 1.344 57.562 56.287 -0.114 0.000 0.927 344 K CB 0.057 32.403 32.500 -0.256 0.000 0.712 344 K HN -0.017 nan 8.250 nan 0.000 0.441 345 K N 0.831 121.109 120.400 -0.204 0.000 2.103 345 K HA -0.057 4.262 4.320 -0.002 0.000 0.204 345 K C 2.184 178.714 176.600 -0.118 0.000 1.052 345 K CA 0.982 57.111 56.287 -0.263 0.000 0.945 345 K CB -0.250 31.862 32.500 -0.647 0.000 0.722 345 K HN 0.277 nan 8.250 nan 0.000 0.443 346 L N 0.995 122.180 121.223 -0.063 0.000 2.093 346 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 346 L C 2.547 179.558 176.870 0.236 0.000 1.085 346 L CA 1.096 55.981 54.840 0.076 0.000 0.755 346 L CB -0.323 41.737 42.059 0.002 0.000 0.904 346 L HN 0.251 nan 8.230 nan 0.000 0.435 347 Q N -0.039 119.897 119.800 0.227 0.000 2.119 347 Q HA -0.205 4.134 4.340 -0.002 0.000 0.201 347 Q C 1.949 177.989 176.000 0.067 0.000 0.972 347 Q CA 1.288 57.178 55.803 0.146 0.000 0.847 347 Q CB -0.034 28.727 28.738 0.039 0.000 0.903 347 Q HN 0.558 nan 8.270 nan 0.000 0.433 348 E N 0.441 120.655 120.200 0.024 0.000 2.265 348 E HA -0.130 4.219 4.350 -0.002 0.000 0.196 348 E C 1.378 178.000 176.600 0.036 0.000 0.996 348 E CA 0.799 57.200 56.400 0.002 0.000 0.832 348 E CB 0.005 29.681 29.700 -0.040 0.000 0.756 348 E HN 0.265 nan 8.360 nan 0.000 0.491 349 A N 0.147 123.011 122.820 0.073 0.000 2.251 349 A HA 0.334 4.653 4.320 -0.002 0.000 0.209 349 A C 1.548 179.187 177.584 0.093 0.000 1.187 349 A CA 0.653 52.741 52.037 0.085 0.000 0.823 349 A CB -0.002 19.066 19.000 0.114 0.000 0.846 349 A HN 0.302 nan 8.150 nan 0.000 0.486 350 G N -2.434 106.426 108.800 0.100 0.000 2.148 350 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.203 350 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.203 350 G C -0.170 174.824 174.900 0.157 0.000 0.993 350 G CA -0.054 45.104 45.100 0.096 0.000 0.661 350 G HN 0.799 nan 8.290 nan 0.000 0.518 351 W N 1.562 122.857 121.300 -0.007 0.000 2.266 351 W HA 0.582 5.241 4.660 -0.002 0.000 0.317 351 W C -0.201 176.315 176.519 -0.005 0.000 1.310 351 W CA -0.891 56.450 57.345 -0.008 0.000 1.207 351 W CB 1.098 30.547 29.460 -0.018 0.000 1.199 351 W HN 0.253 nan 8.180 nan 0.000 0.544 352 V N 9.814 129.466 119.914 -0.437 0.000 2.313 352 V HA 0.248 4.367 4.120 -0.002 0.000 0.278 352 V C -1.793 173.784 176.094 -0.862 0.000 1.017 352 V CA -1.921 60.064 62.300 -0.525 0.000 0.823 352 V CB 0.932 32.641 31.823 -0.191 0.000 1.010 352 V HN 0.458 nan 8.190 nan 0.000 0.443 353 P HA 0.172 nan 4.420 nan 0.000 0.268 353 P C 0.619 177.779 177.300 -0.233 0.000 1.205 353 P CA 0.219 62.746 63.100 -0.956 0.000 0.771 353 P CB 0.998 32.035 31.700 -1.105 0.000 0.858 354 T N 1.037 115.556 114.554 -0.058 0.000 2.964 354 T HA 0.129 4.479 4.350 -0.002 0.000 0.249 354 T C 0.283 175.082 174.700 0.166 0.000 1.000 354 T CA 0.301 62.455 62.100 0.089 0.000 0.992 354 T CB 0.070 68.984 68.868 0.075 0.000 1.087 354 T HN 0.160 nan 8.240 nan 0.000 0.489 355 K N 1.630 122.085 120.400 0.093 0.000 2.265 355 K HA 0.457 4.776 4.320 -0.002 0.000 0.267 355 K C -1.594 175.015 176.600 0.016 0.000 0.994 355 K CA -0.498 55.854 56.287 0.108 0.000 0.860 355 K CB 1.463 34.010 32.500 0.077 0.000 1.099 355 K HN 0.239 nan 8.250 nan 0.000 0.448 356 Y N -0.067 120.240 120.300 0.011 0.000 2.587 356 Y HA 0.297 4.846 4.550 -0.002 0.000 0.337 356 Y C 0.768 176.677 175.900 0.016 0.000 1.065 356 Y CA -0.580 57.524 58.100 0.007 0.000 1.126 356 Y CB 1.984 40.435 38.460 -0.015 0.000 1.279 356 Y HN 0.427 nan 8.280 nan 0.000 0.489 357 T N -0.608 114.048 114.554 0.170 0.000 2.936 357 T HA 0.309 4.659 4.350 -0.002 0.000 0.282 357 T C 1.080 175.841 174.700 0.103 0.000 1.003 357 T CA 0.157 62.319 62.100 0.104 0.000 1.005 357 T CB 0.967 69.875 68.868 0.067 0.000 1.097 357 T HN 0.820 nan 8.240 nan 0.000 0.532 358 D N 0.537 120.978 120.400 0.068 0.000 2.133 358 D HA -0.136 4.503 4.640 -0.002 0.000 0.195 358 D C 2.109 178.439 176.300 0.051 0.000 0.997 358 D CA 2.126 56.157 54.000 0.052 0.000 0.840 358 D CB -0.927 39.896 40.800 0.039 0.000 0.947 358 D HN 0.634 nan 8.370 nan 0.000 0.452 359 K N -0.689 119.743 120.400 0.054 0.000 2.555 359 K HA 0.432 4.751 4.320 -0.002 0.000 0.193 359 K C 2.211 178.852 176.600 0.067 0.000 1.032 359 K CA 1.299 57.616 56.287 0.050 0.000 1.004 359 K CB -1.045 31.482 32.500 0.044 0.000 0.804 359 K HN 1.673 nan 8.250 nan 0.000 0.496 360 G N -1.968 106.891 108.800 0.099 0.000 2.176 360 G HA2 0.067 4.026 3.960 -0.002 0.000 0.253 360 G HA3 0.067 4.026 3.960 -0.002 0.000 0.253 360 G C 0.478 175.537 174.900 0.265 0.000 0.979 360 G CA 0.574 45.766 45.100 0.153 0.000 0.641 360 G HN 1.537 nan 8.290 nan 0.000 0.530 361 A N 0.524 123.440 122.820 0.161 0.000 2.340 361 A HA 0.735 5.054 4.320 -0.002 0.000 0.268 361 A C -1.856 175.713 177.584 -0.025 0.000 1.100 361 A CA -1.074 51.017 52.037 0.089 0.000 0.803 361 A CB 0.577 19.605 19.000 0.047 0.000 1.043 361 A HN 0.144 nan 8.150 nan 0.000 0.488 362 P HA 0.213 nan 4.420 nan 0.000 0.271 362 P C -0.539 176.669 177.300 -0.154 0.000 1.216 362 P CA -0.158 62.629 63.100 -0.523 0.000 0.771 362 P CB 0.737 32.162 31.700 -0.458 0.000 0.864 363 V N 4.690 124.538 119.914 -0.109 0.000 2.572 363 V HA 0.046 4.165 4.120 -0.002 0.000 0.291 363 V C 0.566 176.705 176.094 0.076 0.000 1.039 363 V CA 0.402 62.706 62.300 0.008 0.000 1.055 363 V CB 0.893 32.731 31.823 0.025 0.000 0.969 363 V HN 0.252 nan 8.190 nan 0.000 0.482 364 V N 5.351 125.288 119.914 0.039 0.000 2.313 364 V HA 0.327 4.446 4.120 -0.002 0.000 0.262 364 V C -0.491 175.592 176.094 -0.018 0.000 1.011 364 V CA -0.713 61.592 62.300 0.008 0.000 0.858 364 V CB 0.796 32.622 31.823 0.004 0.000 1.104 364 V HN 1.066 nan 8.190 nan 0.000 0.456 365 D N -0.452 119.939 120.400 -0.016 0.000 2.467 365 D HA 0.279 4.918 4.640 -0.002 0.000 0.245 365 D C 0.840 177.124 176.300 -0.028 0.000 1.038 365 D CA -0.775 53.216 54.000 -0.016 0.000 1.038 365 D CB 1.232 42.032 40.800 -0.002 0.000 1.278 365 D HN 0.091 nan 8.370 nan 0.000 0.564 366 D N -0.947 119.442 120.400 -0.018 0.000 2.158 366 D HA -0.242 4.397 4.640 -0.002 0.000 0.197 366 D C 1.641 177.928 176.300 -0.022 0.000 0.995 366 D CA 2.169 56.157 54.000 -0.019 0.000 0.846 366 D CB 0.205 41.002 40.800 -0.006 0.000 0.941 366 D HN 0.645 nan 8.370 nan 0.000 0.456 367 E N -0.460 119.733 120.200 -0.012 0.000 2.047 367 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 367 E C 2.193 178.787 176.600 -0.010 0.000 0.987 367 E CA 1.129 57.526 56.400 -0.006 0.000 0.799 367 E CB -0.475 29.228 29.700 0.006 0.000 0.752 367 E HN 0.143 nan 8.360 nan 0.000 0.449 368 V N 1.778 121.687 119.914 -0.009 0.000 2.255 368 V HA -0.269 3.850 4.120 -0.002 0.000 0.247 368 V C 2.565 178.600 176.094 -0.099 0.000 1.051 368 V CA 1.843 64.139 62.300 -0.007 0.000 1.018 368 V CB -0.581 31.260 31.823 0.031 0.000 0.641 368 V HN 0.307 nan 8.190 nan 0.000 0.445 369 L N -0.150 120.987 121.223 -0.143 0.000 2.081 369 L HA -0.202 4.137 4.340 -0.002 0.000 0.212 369 L C 2.737 179.525 176.870 -0.137 0.000 1.080 369 L CA 1.635 56.354 54.840 -0.202 0.000 0.754 369 L CB -0.665 41.306 42.059 -0.147 0.000 0.893 369 L HN 0.380 nan 8.230 nan 0.000 0.433 370 E N 0.641 120.796 120.200 -0.076 0.000 2.153 370 E HA -0.172 4.177 4.350 -0.002 0.000 0.194 370 E C 1.977 178.550 176.600 -0.044 0.000 0.988 370 E CA 1.405 57.777 56.400 -0.047 0.000 0.811 370 E CB -0.069 29.617 29.700 -0.024 0.000 0.746 370 E HN 0.451 nan 8.360 nan 0.000 0.466 371 G N 0.166 108.941 108.800 -0.043 0.000 2.880 371 G HA2 0.049 4.008 3.960 -0.002 0.000 0.209 371 G HA3 0.049 4.008 3.960 -0.002 0.000 0.209 371 G C 0.531 175.417 174.900 -0.024 0.000 1.157 371 G CA -0.106 44.986 45.100 -0.013 0.000 0.779 371 G HN 0.051 nan 8.290 nan 0.000 0.539 372 V N 1.919 121.756 119.914 -0.129 0.000 2.585 372 V HA 0.290 4.409 4.120 -0.002 0.000 0.296 372 V C -0.031 176.014 176.094 -0.083 0.000 1.035 372 V CA -0.045 62.131 62.300 -0.207 0.000 1.084 372 V CB 0.849 32.330 31.823 -0.570 0.000 0.953 372 V HN 0.184 nan 8.190 nan 0.000 0.483 373 R N 3.793 124.301 120.500 0.012 0.000 2.476 373 R HA 0.640 4.979 4.340 -0.002 0.000 0.305 373 R C -1.048 175.293 176.300 0.068 0.000 0.965 373 R CA -0.455 55.665 56.100 0.034 0.000 0.867 373 R CB 1.858 32.188 30.300 0.050 0.000 1.176 373 R HN 0.618 nan 8.270 nan 0.000 0.447 374 V N -0.958 118.983 119.914 0.045 0.000 2.823 374 V HA 0.394 4.513 4.120 -0.002 0.000 0.312 374 V C 0.680 176.797 176.094 0.037 0.000 1.072 374 V CA -0.939 61.398 62.300 0.061 0.000 0.937 374 V CB 2.242 34.105 31.823 0.067 0.000 1.013 374 V HN 0.666 nan 8.190 nan 0.000 0.430 375 D N 0.270 120.691 120.400 0.036 0.000 2.317 375 D HA -0.067 4.572 4.640 -0.002 0.000 0.211 375 D C 0.565 176.871 176.300 0.010 0.000 0.966 375 D CA 0.491 54.503 54.000 0.021 0.000 0.876 375 D CB -0.180 40.632 40.800 0.020 0.000 0.927 375 D HN 0.676 nan 8.370 nan 0.000 0.519 376 D N 1.043 121.449 120.400 0.009 0.000 2.346 376 D HA 0.056 4.695 4.640 -0.002 0.000 0.260 376 D C -1.532 174.757 176.300 -0.018 0.000 1.252 376 D CA -1.930 52.065 54.000 -0.008 0.000 0.895 376 D CB 1.742 42.534 40.800 -0.013 0.000 1.097 376 D HN -0.109 nan 8.370 nan 0.000 0.489 377 P HA -0.184 nan 4.420 nan 0.000 0.215 377 P C 1.126 178.401 177.300 -0.042 0.000 1.163 377 P CA 1.225 64.310 63.100 -0.026 0.000 0.894 377 P CB 0.253 31.939 31.700 -0.024 0.000 0.791 378 E N 0.015 120.176 120.200 -0.065 0.000 2.110 378 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 378 E C 1.705 178.225 176.600 -0.133 0.000 0.988 378 E CA 1.222 57.562 56.400 -0.101 0.000 0.804 378 E CB -0.190 29.432 29.700 -0.130 0.000 0.745 378 E HN 0.151 nan 8.360 nan 0.000 0.458 379 K N -0.135 120.193 120.400 -0.120 0.000 2.217 379 K HA -0.140 4.179 4.320 -0.002 0.000 0.202 379 K C 2.216 178.824 176.600 0.015 0.000 1.051 379 K CA 1.012 57.249 56.287 -0.083 0.000 0.952 379 K CB 0.005 32.505 32.500 -0.001 0.000 0.736 379 K HN 0.027 nan 8.250 nan 0.000 0.453 380 Q N 1.202 120.998 119.800 -0.006 0.000 2.079 380 Q HA -0.051 4.288 4.340 -0.002 0.000 0.200 380 Q C 1.852 177.850 176.000 -0.003 0.000 0.974 380 Q CA 1.849 57.651 55.803 -0.001 0.000 0.840 380 Q CB -0.231 28.504 28.738 -0.006 0.000 0.898 380 Q HN 0.262 nan 8.270 nan 0.000 0.430 381 A N 0.138 122.949 122.820 -0.015 0.000 1.969 381 A HA 0.050 4.369 4.320 -0.002 0.000 0.218 381 A C 2.197 179.783 177.584 0.003 0.000 1.169 381 A CA 1.497 53.528 52.037 -0.011 0.000 0.635 381 A CB -0.935 18.051 19.000 -0.023 0.000 0.810 381 A HN 0.491 nan 8.150 nan 0.000 0.445 382 A N -0.283 122.537 122.820 0.000 0.000 2.121 382 A HA 0.033 4.352 4.320 -0.002 0.000 0.218 382 A C 1.946 179.605 177.584 0.124 0.000 1.154 382 A CA 1.117 53.184 52.037 0.050 0.000 0.679 382 A CB -0.557 18.435 19.000 -0.013 0.000 0.795 382 A HN 0.519 nan 8.150 nan 0.000 0.458 383 I N -0.456 120.161 120.570 0.079 0.000 2.315 383 I HA -0.187 3.982 4.170 -0.002 0.000 0.248 383 I C 1.678 177.817 176.117 0.037 0.000 1.117 383 I CA 1.179 62.504 61.300 0.041 0.000 1.404 383 I CB -0.286 37.699 38.000 -0.026 0.000 1.071 383 I HN 0.251 nan 8.210 nan 0.000 0.419 384 D N 0.793 121.213 120.400 0.034 0.000 2.178 384 D HA -0.100 4.539 4.640 -0.002 0.000 0.202 384 D C 2.358 178.699 176.300 0.067 0.000 0.974 384 D CA 1.133 55.155 54.000 0.036 0.000 0.841 384 D CB 0.017 40.832 40.800 0.024 0.000 0.953 384 D HN 0.325 nan 8.370 nan 0.000 0.478 385 L N 0.424 121.698 121.223 0.084 0.000 2.141 385 L HA -0.075 4.264 4.340 -0.002 0.000 0.209 385 L C 2.506 179.478 176.870 0.170 0.000 1.094 385 L CA 0.541 55.453 54.840 0.120 0.000 0.763 385 L CB -0.210 41.917 42.059 0.114 0.000 0.908 385 L HN -0.004 nan 8.230 nan 0.000 0.437 386 I N -0.153 120.510 120.570 0.155 0.000 2.252 386 I HA -0.255 3.914 4.170 -0.002 0.000 0.245 386 I C 2.514 178.722 176.117 0.151 0.000 1.102 386 I CA 1.252 62.647 61.300 0.158 0.000 1.385 386 I CB -0.180 37.894 38.000 0.123 0.000 1.064 386 I HN 0.213 nan 8.210 nan 0.000 0.414 387 K N 0.460 120.919 120.400 0.099 0.000 2.097 387 K HA -0.227 4.092 4.320 -0.002 0.000 0.205 387 K C 1.987 178.647 176.600 0.099 0.000 1.050 387 K CA 1.382 57.714 56.287 0.075 0.000 0.938 387 K CB -0.230 32.292 32.500 0.037 0.000 0.718 387 K HN 0.373 nan 8.250 nan 0.000 0.442 388 E N 0.492 120.762 120.200 0.115 0.000 2.106 388 E HA -0.220 4.129 4.350 -0.002 0.000 0.192 388 E C 1.926 178.610 176.600 0.139 0.000 0.984 388 E CA 0.843 57.313 56.400 0.116 0.000 0.806 388 E CB -0.123 29.644 29.700 0.112 0.000 0.750 388 E HN 0.309 nan 8.360 nan 0.000 0.458 389 Y N 1.133 121.466 120.300 0.055 0.000 2.200 389 Y HA -0.160 4.389 4.550 -0.002 0.000 0.290 389 Y C 1.901 177.815 175.900 0.023 0.000 1.137 389 Y CA 1.585 59.713 58.100 0.046 0.000 1.163 389 Y CB -0.128 38.369 38.460 0.061 0.000 0.988 389 Y HN 0.030 nan 8.280 nan 0.000 0.518 390 L N -0.489 120.881 121.223 0.244 0.000 2.046 390 L HA -0.269 4.070 4.340 -0.002 0.000 0.208 390 L C 2.691 179.573 176.870 0.019 0.000 1.077 390 L CA 1.551 56.471 54.840 0.133 0.000 0.747 390 L CB -0.611 41.510 42.059 0.103 0.000 0.896 390 L HN 0.353 nan 8.230 nan 0.000 0.432 391 M N 0.032 119.649 119.600 0.029 0.000 2.117 391 M HA -0.195 4.284 4.480 -0.002 0.000 0.262 391 M C 2.344 178.633 176.300 -0.019 0.000 1.065 391 M CA 1.935 57.247 55.300 0.020 0.000 1.114 391 M CB -0.347 32.290 32.600 0.061 0.000 1.361 391 M HN 0.136 nan 8.290 nan 0.000 0.408 392 I N 0.623 121.159 120.570 -0.057 0.000 2.226 392 I HA -0.281 3.888 4.170 -0.002 0.000 0.245 392 I C 2.421 178.410 176.117 -0.213 0.000 1.100 392 I CA 1.473 62.686 61.300 -0.145 0.000 1.374 392 I CB -1.437 36.447 38.000 -0.195 0.000 1.057 392 I HN 0.386 nan 8.210 nan 0.000 0.413 393 Q N 1.332 120.974 119.800 -0.264 0.000 2.084 393 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 393 Q C 2.177 178.087 176.000 -0.151 0.000 0.978 393 Q CA 1.636 57.300 55.803 -0.232 0.000 0.844 393 Q CB -0.175 28.431 28.738 -0.221 0.000 0.898 393 Q HN 0.109 nan 8.270 nan 0.000 0.426 394 K N 0.075 120.406 120.400 -0.115 0.000 2.044 394 K HA -0.123 4.196 4.320 -0.002 0.000 0.210 394 K C 1.952 178.467 176.600 -0.143 0.000 1.049 394 K CA 1.354 57.581 56.287 -0.101 0.000 0.927 394 K CB -0.126 32.338 32.500 -0.060 0.000 0.713 394 K HN 0.192 nan 8.250 nan 0.000 0.443 395 R N 0.376 120.791 120.500 -0.141 0.000 2.081 395 R HA -0.017 4.322 4.340 -0.002 0.000 0.235 395 R C 2.485 178.637 176.300 -0.246 0.000 1.131 395 R CA 0.944 56.935 56.100 -0.182 0.000 0.960 395 R CB -0.699 29.498 30.300 -0.171 0.000 0.856 395 R HN 0.314 nan 8.270 nan 0.000 0.436 396 I N -0.002 120.446 120.570 -0.203 0.000 2.252 396 I HA -0.153 4.016 4.170 -0.002 0.000 0.245 396 I C 2.473 178.443 176.117 -0.245 0.000 1.102 396 I CA 1.470 62.663 61.300 -0.179 0.000 1.385 396 I CB -0.707 37.247 38.000 -0.077 0.000 1.064 396 I HN 0.231 nan 8.210 nan 0.000 0.414 397 G N -0.099 108.574 108.800 -0.212 0.000 2.418 397 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.217 397 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.217 397 G C 1.582 176.308 174.900 -0.289 0.000 1.158 397 G CA 0.614 45.591 45.100 -0.205 0.000 0.771 397 G HN 0.393 nan 8.290 nan 0.000 0.545 398 Q N 0.601 120.173 119.800 -0.379 0.000 2.083 398 Q HA -0.085 4.254 4.340 -0.002 0.000 0.198 398 Q C 2.764 178.132 176.000 -1.052 0.000 0.969 398 Q CA 1.860 57.310 55.803 -0.588 0.000 0.838 398 Q CB -0.081 28.329 28.738 -0.546 0.000 0.900 398 Q HN 0.592 nan 8.270 nan 0.000 0.436 399 S N -1.299 113.812 115.700 -0.982 0.000 2.439 399 S HA 0.200 4.669 4.470 -0.002 0.000 0.224 399 S C 1.498 175.861 174.600 -0.396 0.000 1.029 399 S CA 0.457 58.124 58.200 -0.889 0.000 0.946 399 S CB 0.598 63.526 63.200 -0.454 0.000 0.797 399 S HN 0.407 nan 8.310 nan 0.000 0.504 400 A N 0.990 123.541 122.820 -0.450 0.000 1.878 400 A HA 0.452 4.771 4.320 -0.002 0.000 0.201 400 A C 1.719 179.052 177.584 -0.418 0.000 1.684 400 A CA 0.193 51.917 52.037 -0.521 0.000 1.113 400 A CB 0.013 18.321 19.000 -1.154 0.000 1.131 400 A HN 0.354 nan 8.150 nan 0.000 0.472 401 E N 0.392 120.387 120.200 -0.341 0.000 2.364 401 E HA 0.170 4.519 4.350 -0.002 0.000 0.196 401 E C 1.165 177.690 176.600 -0.125 0.000 0.990 401 E CA 0.149 56.433 56.400 -0.193 0.000 0.886 401 E CB 0.161 29.789 29.700 -0.120 0.000 0.866 401 E HN 0.503 nan 8.360 nan 0.000 0.493 402 G N 0.578 109.295 108.800 -0.137 0.000 2.664 402 G HA2 0.080 4.039 3.960 -0.002 0.000 0.242 402 G HA3 0.080 4.039 3.960 -0.002 0.000 0.242 402 G C 0.664 175.545 174.900 -0.032 0.000 1.225 402 G CA 0.372 45.423 45.100 -0.082 0.000 0.849 402 G HN 0.207 nan 8.290 nan 0.000 0.581 403 D N 0.383 120.789 120.400 0.009 0.000 2.221 403 D HA -0.084 4.555 4.640 -0.002 0.000 0.204 403 D C 1.660 178.050 176.300 0.150 0.000 0.982 403 D CA 1.283 55.316 54.000 0.054 0.000 0.857 403 D CB -0.071 40.769 40.800 0.068 0.000 0.934 403 D HN 0.307 nan 8.370 nan 0.000 0.475 404 K N -0.164 120.338 120.400 0.171 0.000 2.576 404 K HA 0.543 4.862 4.320 -0.002 0.000 0.209 404 K C 0.327 177.054 176.600 0.212 0.000 1.049 404 K CA 0.051 56.532 56.287 0.324 0.000 1.140 404 K CB 0.373 32.984 32.500 0.184 0.000 0.871 404 K HN 0.452 nan 8.250 nan 0.000 0.479 405 A N 0.582 123.455 122.820 0.089 0.000 2.483 405 A HA 0.051 4.370 4.320 -0.002 0.000 0.238 405 A C 0.775 178.433 177.584 0.124 0.000 1.070 405 A CA -0.265 51.730 52.037 -0.070 0.000 0.770 405 A CB 0.060 18.967 19.000 -0.156 0.000 1.008 405 A HN 0.315 nan 8.150 nan 0.000 0.497 406 W N 1.359 122.668 121.300 0.016 0.000 2.321 406 W HA -0.180 4.479 4.660 -0.002 0.000 0.306 406 W C 1.736 178.143 176.519 -0.186 0.000 1.217 406 W CA 0.998 58.266 57.345 -0.128 0.000 1.257 406 W CB -1.321 28.015 29.460 -0.207 0.000 1.145 406 W HN 0.650 nan 8.180 nan 0.000 0.509 407 L N -0.056 121.253 121.223 0.143 0.000 2.265 407 L HA -0.149 4.190 4.340 -0.002 0.000 0.215 407 L C 2.476 179.364 176.870 0.031 0.000 1.117 407 L CA 1.213 56.110 54.840 0.094 0.000 0.782 407 L CB -0.657 41.432 42.059 0.050 0.000 0.914 407 L HN -0.042 nan 8.230 nan 0.000 0.441 408 R N -1.785 118.727 120.500 0.020 0.000 2.240 408 R HA -0.044 4.296 4.340 -0.002 0.000 0.203 408 R C 1.512 177.712 176.300 -0.166 0.000 1.011 408 R CA 0.715 56.770 56.100 -0.075 0.000 1.007 408 R CB 0.103 30.340 30.300 -0.105 0.000 0.911 408 R HN 0.289 nan 8.270 nan 0.000 0.468 409 Y N -0.471 119.833 120.300 0.007 0.000 2.481 409 Y HA 0.118 4.667 4.550 -0.001 0.000 0.258 409 Y C 0.785 176.684 175.900 -0.002 0.000 1.103 409 Y CA -0.282 57.833 58.100 0.024 0.000 1.287 409 Y CB 0.709 39.212 38.460 0.072 0.000 1.108 409 Y HN -0.212 nan 8.280 nan 0.000 0.529 410 V N 1.862 121.802 119.914 0.043 0.000 2.557 410 V HA 0.323 4.442 4.120 -0.002 0.000 0.301 410 V C 0.432 176.572 176.094 0.077 0.000 1.026 410 V CA -0.328 61.976 62.300 0.007 0.000 1.137 410 V CB -0.156 31.663 31.823 -0.006 0.000 0.917 410 V HN 0.241 nan 8.190 nan 0.000 0.484 411 A N 4.750 127.649 122.820 0.131 0.000 2.240 411 A HA 0.685 5.004 4.320 -0.002 0.000 0.292 411 A C 1.383 179.015 177.584 0.080 0.000 1.121 411 A CA 0.368 52.479 52.037 0.123 0.000 0.851 411 A CB 0.166 19.292 19.000 0.210 0.000 1.167 411 A HN 1.367 nan 8.150 nan 0.000 0.503 412 E N -0.042 120.189 120.200 0.053 0.000 2.153 412 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 412 E C 1.002 177.618 176.600 0.027 0.000 0.988 412 E CA 1.732 58.149 56.400 0.028 0.000 0.811 412 E CB -0.937 28.768 29.700 0.010 0.000 0.746 412 E HN 0.792 nan 8.360 nan 0.000 0.466 413 D N -1.568 118.862 120.400 0.050 0.000 2.371 413 D HA 0.226 4.865 4.640 -0.002 0.000 0.234 413 D C 1.365 177.662 176.300 -0.005 0.000 1.049 413 D CA 0.724 54.737 54.000 0.021 0.000 0.907 413 D CB -0.429 40.401 40.800 0.050 0.000 0.891 413 D HN 0.798 nan 8.370 nan 0.000 0.531 414 G N -0.233 108.582 108.800 0.026 0.000 2.160 414 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.251 414 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.251 414 G C -0.011 174.909 174.900 0.034 0.000 1.008 414 G CA 0.349 45.464 45.100 0.026 0.000 0.724 414 G HN 0.521 nan 8.290 nan 0.000 0.514 415 K N -0.863 119.552 120.400 0.024 0.000 2.385 415 K HA 0.744 5.063 4.320 -0.002 0.000 0.248 415 K C -0.203 176.354 176.600 -0.070 0.000 0.955 415 K CA -1.021 55.236 56.287 -0.050 0.000 0.816 415 K CB 2.116 34.487 32.500 -0.215 0.000 1.250 415 K HN 0.106 nan 8.250 nan 0.000 0.434 416 I N 2.822 123.344 120.570 -0.079 0.000 2.321 416 I HA 0.162 4.331 4.170 -0.002 0.000 0.291 416 I C -0.178 175.921 176.117 -0.030 0.000 0.998 416 I CA -0.554 60.738 61.300 -0.013 0.000 1.227 416 I CB 0.740 38.703 38.000 -0.062 0.000 1.368 416 I HN 0.464 nan 8.210 nan 0.000 0.466 417 H N 6.049 125.216 119.070 0.162 0.000 2.638 417 H HA 0.219 4.774 4.556 -0.002 0.000 0.242 417 H C 0.558 175.975 175.328 0.147 0.000 1.610 417 H CA -0.360 55.782 56.048 0.157 0.000 1.275 417 H CB 0.565 30.406 29.762 0.131 0.000 1.583 417 H HN 0.753 nan 8.280 nan 0.000 0.556 418 G N 1.204 110.126 108.800 0.202 0.000 2.491 418 G HA2 0.065 4.024 3.960 -0.002 0.000 0.242 418 G HA3 0.065 4.024 3.960 -0.002 0.000 0.242 418 G C 0.287 175.291 174.900 0.174 0.000 1.266 418 G CA -0.327 44.864 45.100 0.151 0.000 0.844 418 G HN 0.424 nan 8.290 nan 0.000 0.571 419 S N -0.351 115.453 115.700 0.174 0.000 2.584 419 S HA 0.539 5.008 4.470 -0.002 0.000 0.273 419 S C -0.172 174.488 174.600 0.099 0.000 1.311 419 S CA -0.559 57.746 58.200 0.176 0.000 1.034 419 S CB 0.930 64.313 63.200 0.305 0.000 0.939 419 S HN 0.532 nan 8.310 nan 0.000 0.513 420 V N 4.995 124.952 119.914 0.071 0.000 2.623 420 V HA 0.408 4.527 4.120 -0.002 0.000 0.304 420 V C -0.460 175.625 176.094 -0.015 0.000 1.054 420 V CA -1.078 61.207 62.300 -0.025 0.000 0.882 420 V CB 1.862 33.703 31.823 0.030 0.000 1.002 420 V HN 0.898 nan 8.190 nan 0.000 0.424 421 N N 6.225 124.879 118.700 -0.076 0.000 2.527 421 N HA 0.351 5.090 4.740 -0.002 0.000 0.236 421 N C -1.860 173.640 175.510 -0.017 0.000 0.999 421 N CA -2.187 50.852 53.050 -0.018 0.000 0.935 421 N CB 2.064 40.542 38.487 -0.015 0.000 1.132 421 N HN 0.225 nan 8.380 nan 0.000 0.511 422 P HA -0.125 nan 4.420 nan 0.000 0.218 422 P C -0.097 177.302 177.300 0.165 0.000 1.146 422 P CA 1.311 64.510 63.100 0.165 0.000 0.820 422 P CB 0.226 32.024 31.700 0.162 0.000 0.778 423 N N -1.863 116.895 118.700 0.097 0.000 2.628 423 N HA 0.101 4.840 4.740 -0.002 0.000 0.299 423 N C 1.133 176.685 175.510 0.070 0.000 1.834 423 N CA -0.028 53.085 53.050 0.104 0.000 0.871 423 N CB 0.171 38.717 38.487 0.099 0.000 1.377 423 N HN -0.061 nan 8.380 nan 0.000 0.493 424 G N 0.038 108.862 108.800 0.040 0.000 2.443 424 G HA2 0.071 4.030 3.960 -0.002 0.000 0.219 424 G HA3 0.071 4.030 3.960 -0.002 0.000 0.219 424 G C 0.569 175.497 174.900 0.046 0.000 1.131 424 G CA 0.597 45.714 45.100 0.029 0.000 0.775 424 G HN 0.404 nan 8.290 nan 0.000 0.547 425 A N -0.211 122.646 122.820 0.061 0.000 2.295 425 A HA 0.575 4.894 4.320 -0.002 0.000 0.318 425 A C 1.642 179.280 177.584 0.090 0.000 1.134 425 A CA 0.123 52.204 52.037 0.072 0.000 0.827 425 A CB 1.426 20.471 19.000 0.074 0.000 1.136 425 A HN 0.699 nan 8.150 nan 0.000 0.493 426 V N -0.287 119.685 119.914 0.096 0.000 2.380 426 V HA -0.237 3.882 4.120 -0.002 0.000 0.251 426 V C 2.010 178.179 176.094 0.125 0.000 1.063 426 V CA 2.769 65.140 62.300 0.118 0.000 1.055 426 V CB -2.197 29.714 31.823 0.147 0.000 0.657 426 V HN 1.091 nan 8.190 nan 0.000 0.455 427 T N -2.489 112.136 114.554 0.118 0.000 3.113 427 T HA 0.330 4.679 4.350 -0.002 0.000 0.263 427 T C 1.685 176.472 174.700 0.145 0.000 1.143 427 T CA 1.191 63.365 62.100 0.125 0.000 1.090 427 T CB 0.036 68.974 68.868 0.116 0.000 0.922 427 T HN 1.682 nan 8.240 nan 0.000 0.521 428 G N 1.009 109.897 108.800 0.147 0.000 2.179 428 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.220 428 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.220 428 G C 0.219 175.243 174.900 0.206 0.000 0.990 428 G CA -0.268 44.938 45.100 0.176 0.000 0.646 428 G HN 0.641 nan 8.290 nan 0.000 0.517 429 R N 0.688 121.293 120.500 0.176 0.000 2.679 429 R HA 0.596 4.935 4.340 -0.002 0.000 0.269 429 R C 0.949 177.309 176.300 0.100 0.000 1.076 429 R CA 0.415 56.620 56.100 0.175 0.000 1.160 429 R CB 0.563 30.960 30.300 0.161 0.000 1.054 429 R HN 0.497 nan 8.270 nan 0.000 0.507 430 A N 0.831 123.627 122.820 -0.039 0.000 2.271 430 A HA 0.417 4.736 4.320 -0.002 0.000 0.288 430 A C -0.099 177.336 177.584 -0.249 0.000 1.094 430 A CA -0.393 51.532 52.037 -0.188 0.000 0.828 430 A CB 0.792 19.522 19.000 -0.449 0.000 1.091 430 A HN 0.748 nan 8.150 nan 0.000 0.493 431 T N -1.041 113.320 114.554 -0.322 0.000 2.908 431 T HA 0.738 5.087 4.350 -0.002 0.000 0.290 431 T C -0.715 173.717 174.700 -0.448 0.000 1.034 431 T CA -0.660 61.312 62.100 -0.212 0.000 1.010 431 T CB 1.148 69.976 68.868 -0.066 0.000 1.068 431 T HN 0.660 nan 8.240 nan 0.000 0.481 432 H N 0.148 119.156 119.070 -0.104 0.000 2.717 432 H HA 0.792 5.347 4.556 -0.002 0.000 0.366 432 H C -0.536 174.677 175.328 -0.191 0.000 1.132 432 H CA -1.209 54.770 56.048 -0.115 0.000 1.180 432 H CB 2.083 31.781 29.762 -0.106 0.000 1.678 432 H HN 1.090 nan 8.280 nan 0.000 0.537 433 A N 1.224 123.953 122.820 -0.151 0.000 2.601 433 A HA 0.503 4.822 4.320 -0.002 0.000 0.291 433 A C -1.515 175.816 177.584 -0.421 0.000 1.075 433 A CA -0.805 50.945 52.037 -0.479 0.000 0.671 433 A CB 0.617 19.021 19.000 -0.994 0.000 1.277 433 A HN 0.583 nan 8.150 nan 0.000 0.417 434 F N -2.164 117.686 119.950 -0.168 0.000 2.975 434 F HA -0.126 4.400 4.527 -0.001 0.000 0.319 434 F C -2.261 173.054 175.800 -0.809 0.000 0.976 434 F CA 0.567 58.291 58.000 -0.460 0.000 1.072 434 F CB -2.395 36.492 39.000 -0.188 0.000 1.165 434 F HN 0.434 nan 8.300 nan 0.000 0.758 435 P HA 0.216 nan 4.420 nan 0.000 0.284 435 P C -0.216 177.033 177.300 -0.085 0.000 1.287 435 P CA -0.506 62.461 63.100 -0.222 0.000 0.824 435 P CB 1.031 32.737 31.700 0.010 0.000 1.180 436 N N 0.918 119.589 118.700 -0.048 0.000 2.415 436 N HA 0.069 4.808 4.740 -0.002 0.000 0.250 436 N C 0.785 176.295 175.510 0.001 0.000 1.127 436 N CA 0.037 53.071 53.050 -0.027 0.000 0.945 436 N CB -0.654 37.805 38.487 -0.047 0.000 1.196 436 N HN 0.299 nan 8.380 nan 0.000 0.499 437 L N 1.914 123.134 121.223 -0.005 0.000 2.610 437 L HA 0.072 4.411 4.340 -0.002 0.000 0.232 437 L C 1.466 178.281 176.870 -0.092 0.000 1.149 437 L CA 0.281 55.094 54.840 -0.045 0.000 0.872 437 L CB -0.197 41.896 42.059 0.056 0.000 0.992 437 L HN 0.531 nan 8.230 nan 0.000 0.447 438 A N 0.078 122.755 122.820 -0.238 0.000 2.379 438 A HA 0.050 4.370 4.320 -0.002 0.000 0.236 438 A C 1.279 178.756 177.584 -0.179 0.000 1.272 438 A CA -0.121 51.710 52.037 -0.343 0.000 0.886 438 A CB -0.090 18.424 19.000 -0.809 0.000 0.962 438 A HN 0.574 nan 8.150 nan 0.000 0.504 439 Q N -0.378 119.346 119.800 -0.126 0.000 2.089 439 Q HA 0.443 4.782 4.340 -0.002 0.000 0.248 439 Q C -0.684 175.283 176.000 -0.056 0.000 0.828 439 Q CA -0.299 55.455 55.803 -0.082 0.000 1.102 439 Q CB -0.189 28.523 28.738 -0.042 0.000 1.221 439 Q HN 0.441 nan 8.270 nan 0.000 0.455 440 I N 2.994 123.470 120.570 -0.157 0.000 2.588 440 I HA 0.205 4.374 4.170 -0.002 0.000 0.283 440 I C -1.941 174.086 176.117 -0.150 0.000 1.119 440 I CA -2.170 59.056 61.300 -0.123 0.000 1.419 440 I CB 0.641 38.309 38.000 -0.552 0.000 1.394 440 I HN 0.061 nan 8.210 nan 0.000 0.562 441 P HA -0.014 nan 4.420 nan 0.000 0.262 441 P C 0.116 177.346 177.300 -0.118 0.000 1.182 441 P CA 0.015 63.101 63.100 -0.024 0.000 0.761 441 P CB 0.369 32.113 31.700 0.073 0.000 0.795 442 G N 1.511 110.240 108.800 -0.118 0.000 2.606 442 G HA2 0.227 4.186 3.960 -0.002 0.000 0.252 442 G HA3 0.227 4.186 3.960 -0.002 0.000 0.252 442 G C 1.282 176.119 174.900 -0.104 0.000 1.206 442 G CA -0.426 44.589 45.100 -0.141 0.000 0.861 442 G HN 0.438 nan 8.290 nan 0.000 0.561 443 V N -0.791 119.045 119.914 -0.130 0.000 2.867 443 V HA -0.077 4.043 4.120 -0.002 0.000 0.260 443 V C 2.186 178.231 176.094 -0.082 0.000 1.099 443 V CA 1.151 63.372 62.300 -0.132 0.000 1.122 443 V CB -0.559 31.102 31.823 -0.270 0.000 0.708 443 V HN 0.491 nan 8.190 nan 0.000 0.490 444 R N 1.988 122.459 120.500 -0.048 0.000 2.275 444 R HA 0.219 4.558 4.340 -0.002 0.000 0.199 444 R C 1.313 177.597 176.300 -0.026 0.000 0.989 444 R CA 0.847 56.931 56.100 -0.026 0.000 1.016 444 R CB -0.628 29.672 30.300 -0.001 0.000 0.918 444 R HN 0.821 nan 8.270 nan 0.000 0.473 445 S N 0.782 116.468 115.700 -0.024 0.000 2.687 445 S HA 0.508 4.977 4.470 -0.002 0.000 0.283 445 S C -2.665 171.927 174.600 -0.014 0.000 1.170 445 S CA -1.684 56.509 58.200 -0.012 0.000 1.008 445 S CB 1.906 65.107 63.200 0.002 0.000 1.026 445 S HN -0.174 nan 8.310 nan 0.000 0.541 446 P HA 0.128 nan 4.420 nan 0.000 0.260 446 P C -0.650 176.688 177.300 0.063 0.000 1.185 446 P CA 0.577 63.632 63.100 -0.075 0.000 0.763 446 P CB -0.404 31.283 31.700 -0.021 0.000 0.776 447 Y N 1.033 121.339 120.300 0.010 0.000 4.916 447 Y HA -0.269 4.280 4.550 -0.002 0.000 0.247 447 Y C 1.979 177.901 175.900 0.037 0.000 0.962 447 Y CA 1.290 59.406 58.100 0.027 0.000 1.933 447 Y CB -2.490 35.992 38.460 0.037 0.000 1.451 447 Y HN 0.524 nan 8.280 nan 0.000 0.539 448 G N 0.110 108.977 108.800 0.112 0.000 2.442 448 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.219 448 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.219 448 G C 1.478 176.398 174.900 0.033 0.000 1.141 448 G CA 1.236 46.371 45.100 0.058 0.000 0.763 448 G HN 0.440 nan 8.290 nan 0.000 0.554 449 E N 0.464 120.673 120.200 0.015 0.000 2.077 449 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 449 E C 2.672 179.307 176.600 0.058 0.000 0.989 449 E CA 0.993 57.396 56.400 0.005 0.000 0.800 449 E CB -0.231 29.462 29.700 -0.012 0.000 0.746 449 E HN 0.593 nan 8.360 nan 0.000 0.452 450 Q N -0.497 119.366 119.800 0.104 0.000 2.123 450 Q HA -0.095 4.244 4.340 -0.002 0.000 0.199 450 Q C 2.452 178.536 176.000 0.140 0.000 0.966 450 Q CA 1.234 57.110 55.803 0.122 0.000 0.845 450 Q CB -0.062 28.775 28.738 0.165 0.000 0.907 450 Q HN 0.286 nan 8.270 nan 0.000 0.439 451 C N 0.339 119.755 119.300 0.195 0.000 2.473 451 C HA -0.063 4.396 4.460 -0.002 0.000 0.279 451 C C 2.488 177.585 174.990 0.179 0.000 1.250 451 C CA 0.402 59.583 59.018 0.271 0.000 1.713 451 C CB -0.771 27.197 27.740 0.380 0.000 2.066 451 C HN 0.465 nan 8.230 nan 0.000 0.474 452 R N 1.202 121.750 120.500 0.081 0.000 2.120 452 R HA -0.085 4.254 4.340 -0.002 0.000 0.234 452 R C 2.250 178.681 176.300 0.218 0.000 1.123 452 R CA 1.520 57.657 56.100 0.062 0.000 0.975 452 R CB -0.886 29.359 30.300 -0.092 0.000 0.866 452 R HN 0.591 nan 8.270 nan 0.000 0.446 453 A N 1.084 123.999 122.820 0.158 0.000 2.015 453 A HA 0.006 4.325 4.320 -0.002 0.000 0.219 453 A C 2.250 179.957 177.584 0.205 0.000 1.163 453 A CA 1.404 53.550 52.037 0.181 0.000 0.646 453 A CB -0.286 18.786 19.000 0.121 0.000 0.806 453 A HN 0.326 nan 8.150 nan 0.000 0.448 454 A N -1.480 121.358 122.820 0.030 0.000 2.168 454 A HA 0.290 4.609 4.320 -0.002 0.000 0.215 454 A C 0.246 177.571 177.584 -0.431 0.000 1.152 454 A CA 0.252 52.069 52.037 -0.367 0.000 0.716 454 A CB -0.396 18.233 19.000 -0.619 0.000 0.794 454 A HN 0.342 nan 8.150 nan 0.000 0.465 455 F N -0.124 119.798 119.950 -0.047 0.000 2.361 455 F HA 0.587 5.113 4.527 -0.001 0.000 0.364 455 F C 0.713 176.658 175.800 0.241 0.000 1.117 455 F CA -0.008 57.925 58.000 -0.112 0.000 1.071 455 F CB 1.634 40.278 39.000 -0.595 0.000 1.188 455 F HN 0.137 nan 8.300 nan 0.000 0.464 456 G N 0.816 110.001 108.800 0.642 0.000 2.616 456 G HA2 0.464 4.423 3.960 -0.002 0.000 0.294 456 G HA3 0.464 4.423 3.960 -0.002 0.000 0.294 456 G C -0.020 175.090 174.900 0.351 0.000 1.489 456 G CA -0.242 45.165 45.100 0.513 0.000 0.836 456 G HN 0.683 nan 8.290 nan 0.000 0.527 457 A N 0.256 123.248 122.820 0.285 0.000 2.019 457 A HA -0.001 4.319 4.320 -0.002 0.000 0.219 457 A C 1.981 179.678 177.584 0.188 0.000 1.164 457 A CA 2.167 54.376 52.037 0.286 0.000 0.644 457 A CB -0.501 18.713 19.000 0.357 0.000 0.805 457 A HN 0.989 nan 8.150 nan 0.000 0.449 458 E N -0.735 119.468 120.200 0.006 0.000 2.209 458 E HA -0.250 4.099 4.350 -0.002 0.000 0.196 458 E C 1.130 177.623 176.600 -0.179 0.000 0.993 458 E CA 1.368 57.700 56.400 -0.113 0.000 0.819 458 E CB -0.575 28.973 29.700 -0.253 0.000 0.745 458 E HN 0.740 nan 8.360 nan 0.000 0.477 459 H N -0.532 118.581 119.070 0.072 0.000 2.547 459 H HA 0.084 4.639 4.556 -0.002 0.000 0.266 459 H C -0.183 175.116 175.328 -0.048 0.000 0.988 459 H CA 0.692 56.737 56.048 -0.005 0.000 1.147 459 H CB -0.342 29.402 29.762 -0.030 0.000 1.365 459 H HN 0.349 nan 8.280 nan 0.000 0.589 460 H N 0.561 119.575 119.070 -0.095 0.000 2.511 460 H HA 0.367 4.922 4.556 -0.002 0.000 0.328 460 H C -0.714 174.486 175.328 -0.213 0.000 1.044 460 H CA -0.573 55.284 56.048 -0.318 0.000 1.212 460 H CB 0.383 29.710 29.762 -0.725 0.000 1.428 460 H HN -0.033 nan 8.280 nan 0.000 0.483 461 L N 4.429 125.210 121.223 -0.737 0.000 2.276 461 L HA 0.204 4.543 4.340 -0.002 0.000 0.286 461 L C 0.304 176.819 176.870 -0.591 0.000 1.061 461 L CA -0.836 53.741 54.840 -0.439 0.000 0.807 461 L CB 0.975 42.885 42.059 -0.249 0.000 1.177 461 L HN 0.749 nan 8.230 nan 0.000 0.429 462 D N 2.132 122.473 120.400 -0.098 0.000 2.525 462 D HA -0.006 4.633 4.640 -0.002 0.000 0.235 462 D C 1.327 177.650 176.300 0.038 0.000 1.137 462 D CA 0.803 54.906 54.000 0.172 0.000 0.868 462 D CB 1.446 42.502 40.800 0.427 0.000 1.180 462 D HN 0.661 nan 8.370 nan 0.000 0.465 463 G N 3.256 112.120 108.800 0.107 0.000 2.470 463 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.220 463 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.220 463 G C 1.170 176.110 174.900 0.067 0.000 1.121 463 G CA 0.504 45.641 45.100 0.063 0.000 0.766 463 G HN 0.519 nan 8.290 nan 0.000 0.553 464 I N 0.864 121.495 120.570 0.103 0.000 2.900 464 I HA 0.026 4.195 4.170 -0.002 0.000 0.251 464 I C 2.815 178.967 176.117 0.058 0.000 1.102 464 I CA 1.809 63.154 61.300 0.076 0.000 1.457 464 I CB -1.214 36.839 38.000 0.087 0.000 1.285 464 I HN 0.252 nan 8.210 nan 0.000 0.459 465 T N -1.644 112.955 114.554 0.076 0.000 3.065 465 T HA 0.230 4.579 4.350 -0.002 0.000 0.252 465 T C 1.631 176.355 174.700 0.041 0.000 1.099 465 T CA 0.725 62.858 62.100 0.056 0.000 1.063 465 T CB 0.145 69.051 68.868 0.064 0.000 0.948 465 T HN 0.510 nan 8.240 nan 0.000 0.506 466 G N 1.732 110.551 108.800 0.032 0.000 2.189 466 G HA2 -0.251 3.709 3.960 -0.002 0.000 0.267 466 G HA3 -0.251 3.709 3.960 -0.002 0.000 0.267 466 G C 0.041 174.951 174.900 0.016 0.000 0.975 466 G CA 0.225 45.324 45.100 -0.002 0.000 0.644 466 G HN 0.605 nan 8.290 nan 0.000 0.537 467 K N 1.425 121.862 120.400 0.063 0.000 2.205 467 K HA 0.418 4.737 4.320 -0.002 0.000 0.279 467 K C -2.117 174.571 176.600 0.147 0.000 1.027 467 K CA -2.294 54.041 56.287 0.080 0.000 0.932 467 K CB 1.123 33.668 32.500 0.075 0.000 1.032 467 K HN 0.170 nan 8.250 nan 0.000 0.466 468 P HA -0.004 nan 4.420 nan 0.000 0.267 468 P C -0.398 177.107 177.300 0.342 0.000 1.200 468 P CA -0.094 63.108 63.100 0.170 0.000 0.772 468 P CB 0.431 32.179 31.700 0.080 0.000 0.855 469 W N 1.661 123.022 121.300 0.101 0.000 2.166 469 W HA 0.363 5.022 4.660 -0.002 0.000 0.364 469 W C 0.237 176.815 176.519 0.099 0.000 1.344 469 W CA -0.143 57.295 57.345 0.155 0.000 1.471 469 W CB 0.124 29.766 29.460 0.302 0.000 1.220 469 W HN 0.168 nan 8.180 nan 0.000 0.666 470 V N -0.628 119.442 119.914 0.259 0.000 2.919 470 V HA 0.611 4.730 4.120 -0.002 0.000 0.316 470 V C -0.886 175.307 176.094 0.164 0.000 1.077 470 V CA -1.292 61.098 62.300 0.151 0.000 0.977 470 V CB 1.496 33.354 31.823 0.059 0.000 1.039 470 V HN 0.555 nan 8.190 nan 0.000 0.441 471 Q N 1.288 121.161 119.800 0.122 0.000 2.309 471 Q HA 0.789 5.128 4.340 -0.002 0.000 0.264 471 Q C -0.683 175.349 176.000 0.052 0.000 1.008 471 Q CA -0.656 55.206 55.803 0.099 0.000 0.853 471 Q CB 1.966 30.776 28.738 0.121 0.000 1.314 471 Q HN 1.291 nan 8.270 nan 0.000 0.448 472 A N 2.483 125.307 122.820 0.008 0.000 2.291 472 A HA 0.718 5.037 4.320 -0.002 0.000 0.311 472 A C -0.309 177.256 177.584 -0.031 0.000 1.224 472 A CA -0.290 51.738 52.037 -0.015 0.000 0.821 472 A CB 1.043 20.010 19.000 -0.056 0.000 1.172 472 A HN 0.727 nan 8.150 nan 0.000 0.494 473 G N 1.830 110.645 108.800 0.025 0.000 2.384 473 G HA2 0.574 4.533 3.960 -0.002 0.000 0.316 473 G HA3 0.574 4.533 3.960 -0.002 0.000 0.316 473 G C -0.780 174.172 174.900 0.087 0.000 1.160 473 G CA -0.293 44.841 45.100 0.056 0.000 0.936 473 G HN 0.607 nan 8.290 nan 0.000 0.455 474 I N 1.332 121.965 120.570 0.104 0.000 2.498 474 I HA 0.596 4.765 4.170 -0.002 0.000 0.290 474 I C 0.100 176.427 176.117 0.351 0.000 1.032 474 I CA -0.425 60.996 61.300 0.202 0.000 1.073 474 I CB 2.323 40.452 38.000 0.215 0.000 1.251 474 I HN 0.555 nan 8.210 nan 0.000 0.426 475 D N 3.938 124.507 120.400 0.283 0.000 2.527 475 D HA 0.853 5.492 4.640 -0.002 0.000 0.233 475 D C -0.440 175.896 176.300 0.060 0.000 1.063 475 D CA -0.656 53.496 54.000 0.253 0.000 0.880 475 D CB 2.007 42.924 40.800 0.194 0.000 1.457 475 D HN 0.864 nan 8.370 nan 0.000 0.475 476 A N 0.808 123.588 122.820 -0.068 0.000 2.409 476 A HA 0.573 4.892 4.320 -0.002 0.000 0.262 476 A C 0.572 178.120 177.584 -0.060 0.000 1.113 476 A CA -0.219 51.674 52.037 -0.240 0.000 0.790 476 A CB -0.060 18.762 19.000 -0.297 0.000 1.046 476 A HN 0.630 nan 8.150 nan 0.000 0.496 477 S N 1.642 117.306 115.700 -0.060 0.000 2.481 477 S HA 0.419 4.888 4.470 -0.002 0.000 0.276 477 S C 1.241 175.856 174.600 0.025 0.000 1.247 477 S CA 0.442 58.643 58.200 0.001 0.000 1.053 477 S CB 0.680 63.879 63.200 -0.003 0.000 0.925 477 S HN 1.969 nan 8.310 nan 0.000 0.491 478 G N 3.267 112.103 108.800 0.060 0.000 2.451 478 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.296 478 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.296 478 G C 0.638 175.590 174.900 0.088 0.000 0.922 478 G CA 0.246 45.396 45.100 0.083 0.000 1.074 478 G HN 0.769 nan 8.290 nan 0.000 0.509 479 L N -0.356 120.917 121.223 0.085 0.000 2.042 479 L HA -0.156 4.183 4.340 -0.002 0.000 0.210 479 L C 3.058 180.020 176.870 0.153 0.000 1.076 479 L CA 2.353 57.252 54.840 0.098 0.000 0.749 479 L CB -0.160 41.950 42.059 0.085 0.000 0.893 479 L HN 0.721 nan 8.230 nan 0.000 0.432 480 E N 0.101 120.390 120.200 0.148 0.000 2.051 480 E HA -0.268 4.081 4.350 -0.002 0.000 0.192 480 E C 2.207 178.912 176.600 0.176 0.000 0.991 480 E CA 1.265 57.759 56.400 0.156 0.000 0.799 480 E CB -0.786 28.970 29.700 0.094 0.000 0.748 480 E HN 0.516 nan 8.360 nan 0.000 0.449 481 L N 0.424 121.743 121.223 0.161 0.000 2.141 481 L HA -0.067 4.272 4.340 -0.002 0.000 0.209 481 L C 2.898 179.906 176.870 0.231 0.000 1.094 481 L CA 1.094 56.055 54.840 0.202 0.000 0.763 481 L CB -0.315 41.838 42.059 0.158 0.000 0.908 481 L HN 0.084 nan 8.230 nan 0.000 0.437 482 R N -1.114 119.508 120.500 0.203 0.000 2.115 482 R HA -0.102 4.237 4.340 -0.002 0.000 0.226 482 R C 2.349 178.839 176.300 0.316 0.000 1.100 482 R CA 1.296 57.536 56.100 0.232 0.000 0.980 482 R CB -0.590 29.840 30.300 0.217 0.000 0.875 482 R HN 0.394 nan 8.270 nan 0.000 0.445 483 C N 0.792 120.311 119.300 0.364 0.000 2.446 483 C HA -0.053 4.407 4.460 -0.002 0.000 0.277 483 C C 2.594 177.812 174.990 0.380 0.000 1.275 483 C CA 0.214 59.504 59.018 0.452 0.000 1.727 483 C CB -0.833 27.189 27.740 0.469 0.000 2.010 483 C HN 0.426 nan 8.230 nan 0.000 0.486 484 L N 2.055 123.473 121.223 0.325 0.000 2.017 484 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 484 L C 2.568 179.562 176.870 0.207 0.000 1.073 484 L CA 2.440 57.442 54.840 0.270 0.000 0.745 484 L CB -0.957 41.211 42.059 0.182 0.000 0.894 484 L HN 0.265 nan 8.230 nan 0.000 0.432 485 A N -1.200 121.763 122.820 0.237 0.000 1.908 485 A HA -0.329 3.990 4.320 -0.002 0.000 0.218 485 A C 2.270 179.872 177.584 0.030 0.000 1.181 485 A CA 1.914 54.084 52.037 0.222 0.000 0.627 485 A CB -1.152 18.006 19.000 0.263 0.000 0.818 485 A HN 0.780 nan 8.150 nan 0.000 0.445 486 H N -1.374 117.553 119.070 -0.238 0.000 2.290 486 H HA -0.163 4.392 4.556 -0.001 0.000 0.298 486 H C 1.547 176.588 175.328 -0.478 0.000 1.087 486 H CA 2.378 58.047 56.048 -0.632 0.000 1.291 486 H CB -0.438 28.402 29.762 -1.536 0.000 1.369 486 H HN 0.416 nan 8.280 nan 0.000 0.492 487 F N 0.571 120.398 119.950 -0.205 0.000 2.365 487 F HA -0.110 4.416 4.527 -0.002 0.000 0.300 487 F C 2.433 178.192 175.800 -0.068 0.000 1.090 487 F CA 1.259 59.157 58.000 -0.169 0.000 1.408 487 F CB -0.344 38.667 39.000 0.019 0.000 1.060 487 F HN 0.377 nan 8.300 nan 0.000 0.534 488 M N -1.721 117.953 119.600 0.124 0.000 2.502 488 M HA 0.372 4.851 4.480 -0.002 0.000 0.243 488 M C 1.929 178.274 176.300 0.075 0.000 1.130 488 M CA 0.901 56.317 55.300 0.194 0.000 1.055 488 M CB -0.745 31.895 32.600 0.067 0.000 1.457 488 M HN -0.020 nan 8.290 nan 0.000 0.488 489 A N 2.108 124.875 122.820 -0.088 0.000 2.024 489 A HA -0.158 4.161 4.320 -0.002 0.000 0.220 489 A C 2.401 179.863 177.584 -0.204 0.000 1.164 489 A CA 1.702 53.659 52.037 -0.134 0.000 0.643 489 A CB -0.854 18.021 19.000 -0.208 0.000 0.806 489 A HN 0.677 nan 8.150 nan 0.000 0.451 490 R N -1.536 118.755 120.500 -0.350 0.000 2.148 490 R HA -0.094 4.245 4.340 -0.002 0.000 0.227 490 R C 1.013 176.940 176.300 -0.621 0.000 1.103 490 R CA 1.680 57.446 56.100 -0.557 0.000 0.983 490 R CB -0.226 29.578 30.300 -0.827 0.000 0.874 490 R HN 0.515 nan 8.270 nan 0.000 0.451 491 F N 0.027 119.934 119.950 -0.072 0.000 2.622 491 F HA 0.118 4.644 4.527 -0.002 0.000 0.288 491 F C 1.320 177.085 175.800 -0.058 0.000 1.120 491 F CA 0.181 58.143 58.000 -0.064 0.000 1.423 491 F CB 0.286 39.244 39.000 -0.071 0.000 1.127 491 F HN 0.122 nan 8.300 nan 0.000 0.588 492 D N -2.097 118.359 120.400 0.093 0.000 2.503 492 D HA 0.025 4.664 4.640 -0.002 0.000 0.218 492 D C -0.006 176.302 176.300 0.013 0.000 1.183 492 D CA 0.007 54.039 54.000 0.053 0.000 0.827 492 D CB -0.771 40.069 40.800 0.067 0.000 1.034 492 D HN 0.031 nan 8.370 nan 0.000 0.510 493 N N 0.617 119.301 118.700 -0.026 0.000 2.714 493 N HA -0.182 4.557 4.740 -0.002 0.000 0.250 493 N C 1.123 176.612 175.510 -0.035 0.000 1.117 493 N CA 1.342 54.363 53.050 -0.048 0.000 0.719 493 N CB -1.499 36.962 38.487 -0.045 0.000 1.081 493 N HN 0.677 nan 8.380 nan 0.000 0.557 494 G N -2.257 106.537 108.800 -0.010 0.000 2.176 494 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.232 494 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.232 494 G C 0.938 175.886 174.900 0.080 0.000 0.986 494 G CA 1.400 46.513 45.100 0.022 0.000 0.643 494 G HN 0.841 nan 8.290 nan 0.000 0.522 495 E N -0.328 119.920 120.200 0.080 0.000 2.033 495 E HA -0.236 4.113 4.350 -0.002 0.000 0.199 495 E C 1.975 178.686 176.600 0.185 0.000 1.011 495 E CA 2.012 58.482 56.400 0.117 0.000 0.815 495 E CB -0.782 28.977 29.700 0.099 0.000 0.755 495 E HN 0.968 nan 8.360 nan 0.000 0.451 496 Y N 0.815 121.143 120.300 0.046 0.000 2.128 496 Y HA -0.024 4.524 4.550 -0.002 0.000 0.284 496 Y C 2.935 178.862 175.900 0.046 0.000 1.154 496 Y CA 1.755 59.881 58.100 0.043 0.000 1.149 496 Y CB -0.701 37.782 38.460 0.037 0.000 0.976 496 Y HN 0.328 nan 8.280 nan 0.000 0.505 497 A N -1.128 121.793 122.820 0.169 0.000 1.940 497 A HA -0.290 4.029 4.320 -0.002 0.000 0.219 497 A C 2.017 179.634 177.584 0.055 0.000 1.176 497 A CA 2.069 54.159 52.037 0.089 0.000 0.631 497 A CB -1.196 17.853 19.000 0.083 0.000 0.814 497 A HN 0.688 nan 8.150 nan 0.000 0.446 498 H N -0.499 118.565 119.070 -0.009 0.000 2.353 498 H HA -0.111 4.444 4.556 -0.002 0.000 0.300 498 H C 1.980 177.277 175.328 -0.052 0.000 1.090 498 H CA 2.007 58.042 56.048 -0.022 0.000 1.327 498 H CB -0.052 29.703 29.762 -0.010 0.000 1.383 498 H HN 0.508 nan 8.280 nan 0.000 0.508 499 E N 0.245 120.392 120.200 -0.089 0.000 2.106 499 E HA -0.089 4.260 4.350 -0.002 0.000 0.192 499 E C 2.230 178.685 176.600 -0.241 0.000 0.984 499 E CA 1.373 57.660 56.400 -0.190 0.000 0.806 499 E CB -0.306 29.280 29.700 -0.190 0.000 0.750 499 E HN 0.631 nan 8.360 nan 0.000 0.458 500 I N 0.263 120.683 120.570 -0.249 0.000 2.127 500 I HA -0.265 3.904 4.170 -0.002 0.000 0.241 500 I C 1.988 178.015 176.117 -0.150 0.000 1.075 500 I CA 1.183 62.353 61.300 -0.217 0.000 1.334 500 I CB -0.471 37.433 38.000 -0.160 0.000 1.040 500 I HN 0.239 nan 8.210 nan 0.000 0.405 501 L N -1.752 119.393 121.223 -0.130 0.000 2.418 501 L HA 0.163 4.502 4.340 -0.002 0.000 0.218 501 L C 1.480 178.265 176.870 -0.143 0.000 1.125 501 L CA 1.269 56.046 54.840 -0.105 0.000 0.835 501 L CB -0.897 41.126 42.059 -0.060 0.000 0.953 501 L HN 0.136 nan 8.230 nan 0.000 0.454 502 N N 0.151 118.707 118.700 -0.239 0.000 2.557 502 N HA 0.218 4.957 4.740 -0.002 0.000 0.217 502 N C 1.175 176.573 175.510 -0.187 0.000 1.062 502 N CA 0.959 53.857 53.050 -0.253 0.000 0.863 502 N CB 0.244 38.446 38.487 -0.475 0.000 1.390 502 N HN 0.425 nan 8.380 nan 0.000 0.445 503 G N 0.102 108.782 108.800 -0.199 0.000 3.182 503 G HA2 0.228 4.187 3.960 -0.002 0.000 0.167 503 G HA3 0.228 4.187 3.960 -0.002 0.000 0.167 503 G C -1.144 173.698 174.900 -0.097 0.000 1.537 503 G CA 0.127 45.156 45.100 -0.119 0.000 1.046 503 G HN 0.128 nan 8.290 nan 0.000 0.580 504 D N -1.364 118.986 120.400 -0.083 0.000 2.358 504 D HA 0.285 4.924 4.640 -0.002 0.000 0.253 504 D C 0.891 177.126 176.300 -0.108 0.000 1.288 504 D CA -0.622 53.338 54.000 -0.067 0.000 0.950 504 D CB 1.148 41.948 40.800 -0.001 0.000 1.197 504 D HN 0.071 nan 8.370 nan 0.000 0.550 505 I N 3.427 123.855 120.570 -0.236 0.000 2.335 505 I HA -0.243 3.926 4.170 -0.002 0.000 0.251 505 I C 1.677 177.678 176.117 -0.193 0.000 1.129 505 I CA 1.787 62.892 61.300 -0.325 0.000 1.402 505 I CB -0.142 37.552 38.000 -0.510 0.000 1.069 505 I HN 0.567 nan 8.210 nan 0.000 0.424 506 H N -0.170 118.908 119.070 0.013 0.000 2.326 506 H HA -0.069 4.486 4.556 -0.002 0.000 0.301 506 H C 2.220 177.587 175.328 0.065 0.000 1.081 506 H CA 2.135 58.217 56.048 0.057 0.000 1.334 506 H CB -1.131 28.655 29.762 0.041 0.000 1.385 506 H HN 0.425 nan 8.280 nan 0.000 0.504 507 T N -0.517 114.127 114.554 0.150 0.000 2.995 507 T HA -0.062 4.287 4.350 -0.002 0.000 0.269 507 T C 1.919 176.673 174.700 0.090 0.000 1.091 507 T CA 0.998 63.158 62.100 0.101 0.000 1.128 507 T CB 0.265 69.173 68.868 0.067 0.000 0.891 507 T HN 0.265 nan 8.240 nan 0.000 0.492 508 K N 1.303 121.749 120.400 0.076 0.000 2.057 508 K HA -0.066 4.253 4.320 -0.002 0.000 0.206 508 K C 1.904 178.606 176.600 0.170 0.000 1.050 508 K CA 1.114 57.452 56.287 0.084 0.000 0.935 508 K CB -0.106 32.413 32.500 0.032 0.000 0.715 508 K HN 0.174 nan 8.250 nan 0.000 0.439 509 N N 1.083 119.933 118.700 0.250 0.000 2.331 509 N HA -0.158 4.581 4.740 -0.002 0.000 0.180 509 N C 1.689 177.380 175.510 0.301 0.000 1.019 509 N CA 0.777 54.095 53.050 0.447 0.000 0.881 509 N CB -0.067 38.746 38.487 0.543 0.000 0.972 509 N HN 0.391 nan 8.380 nan 0.000 0.435 510 Q N 0.781 120.687 119.800 0.177 0.000 2.096 510 Q HA -0.068 4.271 4.340 -0.002 0.000 0.204 510 Q C 1.919 177.958 176.000 0.065 0.000 0.982 510 Q CA 1.168 57.022 55.803 0.085 0.000 0.850 510 Q CB -0.001 28.779 28.738 0.070 0.000 0.901 510 Q HN 0.345 nan 8.270 nan 0.000 0.422 511 I N 0.494 121.114 120.570 0.083 0.000 2.252 511 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 511 I C 2.516 178.675 176.117 0.071 0.000 1.102 511 I CA 0.756 62.092 61.300 0.060 0.000 1.385 511 I CB -0.552 37.480 38.000 0.053 0.000 1.064 511 I HN 0.253 nan 8.210 nan 0.000 0.414 512 A N 1.148 124.040 122.820 0.120 0.000 1.873 512 A HA -0.150 4.169 4.320 -0.002 0.000 0.218 512 A C 2.083 179.757 177.584 0.149 0.000 1.193 512 A CA 2.044 54.146 52.037 0.109 0.000 0.629 512 A CB -0.925 18.145 19.000 0.116 0.000 0.826 512 A HN 0.430 nan 8.150 nan 0.000 0.447 513 A N -1.885 121.062 122.820 0.211 0.000 3.037 513 A HA 0.422 4.741 4.320 -0.002 0.000 0.177 513 A C 1.154 178.724 177.584 -0.024 0.000 2.075 513 A CA 0.825 52.877 52.037 0.025 0.000 0.991 513 A CB 0.037 18.828 19.000 -0.350 0.000 1.893 513 A HN 0.312 nan 8.150 nan 0.000 0.828 514 E N -1.535 118.610 120.200 -0.091 0.000 2.673 514 E HA 0.177 4.526 4.350 -0.002 0.000 0.215 514 E C -0.402 176.160 176.600 -0.063 0.000 0.935 514 E CA -0.201 56.169 56.400 -0.050 0.000 1.341 514 E CB -0.331 29.347 29.700 -0.037 0.000 1.277 514 E HN 0.521 nan 8.360 nan 0.000 0.667 515 L N 3.147 124.301 121.223 -0.114 0.000 2.714 515 L HA -0.134 4.205 4.340 -0.002 0.000 0.301 515 L C -1.213 175.631 176.870 -0.043 0.000 1.248 515 L CA -0.286 54.498 54.840 -0.094 0.000 0.885 515 L CB -0.228 41.751 42.059 -0.132 0.000 1.143 515 L HN -0.131 nan 8.230 nan 0.000 0.500 516 P HA -0.128 nan 4.420 nan 0.000 0.214 516 P C 0.480 177.777 177.300 -0.006 0.000 1.163 516 P CA 1.483 64.574 63.100 -0.014 0.000 0.889 516 P CB 0.102 31.795 31.700 -0.011 0.000 0.790 517 T N -5.040 109.511 114.554 -0.005 0.000 2.927 517 T HA 0.398 4.747 4.350 -0.002 0.000 0.286 517 T C 0.984 175.689 174.700 0.009 0.000 1.040 517 T CA -0.955 61.146 62.100 0.003 0.000 1.010 517 T CB 1.859 70.727 68.868 0.001 0.000 1.177 517 T HN -0.168 nan 8.240 nan 0.000 0.546 518 R N 0.032 120.541 120.500 0.016 0.000 2.073 518 R HA -0.121 4.218 4.340 -0.002 0.000 0.234 518 R C 1.475 177.778 176.300 0.005 0.000 1.134 518 R CA 1.876 57.993 56.100 0.028 0.000 0.952 518 R CB -0.540 29.778 30.300 0.030 0.000 0.850 518 R HN 0.706 nan 8.270 nan 0.000 0.433 519 D N 0.286 120.676 120.400 -0.018 0.000 2.221 519 D HA -0.145 4.494 4.640 -0.002 0.000 0.204 519 D C 1.412 177.704 176.300 -0.013 0.000 0.982 519 D CA 0.777 54.755 54.000 -0.037 0.000 0.857 519 D CB -0.225 40.557 40.800 -0.030 0.000 0.934 519 D HN 0.299 nan 8.370 nan 0.000 0.475 520 N N 0.764 119.466 118.700 0.003 0.000 2.166 520 N HA -0.111 4.628 4.740 -0.002 0.000 0.186 520 N C 1.812 177.353 175.510 0.052 0.000 1.019 520 N CA 0.927 53.986 53.050 0.015 0.000 0.856 520 N CB -0.033 38.450 38.487 -0.006 0.000 0.993 520 N HN 0.113 nan 8.380 nan 0.000 0.426 521 A N 1.561 124.416 122.820 0.058 0.000 1.930 521 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 521 A C 2.145 179.837 177.584 0.180 0.000 1.175 521 A CA 1.158 53.275 52.037 0.134 0.000 0.627 521 A CB -0.233 18.856 19.000 0.149 0.000 0.815 521 A HN 0.227 nan 8.150 nan 0.000 0.443 522 K N -0.716 119.721 120.400 0.062 0.000 2.097 522 K HA -0.078 4.241 4.320 -0.002 0.000 0.205 522 K C 1.984 178.594 176.600 0.017 0.000 1.050 522 K CA 1.718 57.996 56.287 -0.015 0.000 0.938 522 K CB -0.306 32.054 32.500 -0.233 0.000 0.718 522 K HN 0.488 nan 8.250 nan 0.000 0.442 523 T N 1.001 115.571 114.554 0.025 0.000 2.812 523 T HA -0.108 4.241 4.350 -0.002 0.000 0.264 523 T C 1.467 176.173 174.700 0.010 0.000 1.042 523 T CA 0.858 62.966 62.100 0.014 0.000 1.140 523 T CB -0.312 68.568 68.868 0.020 0.000 0.870 523 T HN 0.169 nan 8.240 nan 0.000 0.445 524 F N 1.761 121.650 119.950 -0.102 0.000 2.069 524 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 524 F C 2.018 177.710 175.800 -0.181 0.000 1.113 524 F CA 0.765 58.661 58.000 -0.174 0.000 1.214 524 F CB -0.596 38.298 39.000 -0.176 0.000 0.978 524 F HN -0.002 nan 8.300 nan 0.000 0.474 525 I N 0.223 120.745 120.570 -0.080 0.000 2.163 525 I HA -0.251 3.918 4.170 -0.002 0.000 0.243 525 I C 2.922 178.951 176.117 -0.146 0.000 1.085 525 I CA 2.379 63.610 61.300 -0.116 0.000 1.347 525 I CB -1.468 36.604 38.000 0.121 0.000 1.044 525 I HN 0.339 nan 8.210 nan 0.000 0.408 526 Y N -0.119 120.107 120.300 -0.123 0.000 2.333 526 Y HA -0.002 4.547 4.550 -0.002 0.000 0.290 526 Y C 2.460 178.212 175.900 -0.247 0.000 1.144 526 Y CA 1.486 59.461 58.100 -0.208 0.000 1.228 526 Y CB -1.882 36.494 38.460 -0.139 0.000 0.985 526 Y HN 0.332 nan 8.280 nan 0.000 0.542 527 G N -0.965 107.682 108.800 -0.256 0.000 2.446 527 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.217 527 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.217 527 G C 1.714 176.437 174.900 -0.294 0.000 1.168 527 G CA 1.190 46.113 45.100 -0.295 0.000 0.771 527 G HN 0.647 nan 8.290 nan 0.000 0.551 528 F N 0.346 120.082 119.950 -0.358 0.000 2.250 528 F HA 0.021 4.547 4.527 -0.002 0.000 0.301 528 F C 2.515 178.213 175.800 -0.171 0.000 1.077 528 F CA 0.436 58.273 58.000 -0.272 0.000 1.348 528 F CB 0.043 38.853 39.000 -0.316 0.000 1.040 528 F HN 0.068 nan 8.300 nan 0.000 0.509 529 L N -1.942 119.252 121.223 -0.048 0.000 2.127 529 L HA -0.122 4.217 4.340 -0.002 0.000 0.203 529 L C 0.591 177.491 176.870 0.050 0.000 1.080 529 L CA 0.904 55.664 54.840 -0.133 0.000 0.768 529 L CB -0.378 41.389 42.059 -0.486 0.000 0.924 529 L HN 0.075 nan 8.230 nan 0.000 0.444 530 Y N 0.067 120.367 120.300 0.000 0.000 2.813 530 Y HA 0.316 4.865 4.550 -0.001 0.000 0.378 530 Y C 1.178 177.065 175.900 -0.022 0.000 1.023 530 Y CA -0.493 57.600 58.100 -0.011 0.000 1.567 530 Y CB 0.298 38.748 38.460 -0.015 0.000 1.492 530 Y HN 0.275 nan 8.280 nan 0.000 0.533 531 G N 1.053 109.932 108.800 0.132 0.000 2.249 531 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.273 531 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.273 531 G C 0.144 175.051 174.900 0.011 0.000 1.036 531 G CA 0.201 45.338 45.100 0.062 0.000 0.824 531 G HN 0.652 nan 8.290 nan 0.000 0.504 532 A N 0.211 123.006 122.820 -0.042 0.000 2.310 532 A HA 0.742 5.061 4.320 -0.002 0.000 0.300 532 A C 1.139 178.647 177.584 -0.127 0.000 1.269 532 A CA 0.693 52.674 52.037 -0.094 0.000 0.909 532 A CB 0.475 19.378 19.000 -0.161 0.000 1.144 532 A HN 1.634 nan 8.150 nan 0.000 0.540 533 G N 1.759 110.517 108.800 -0.071 0.000 2.580 533 G HA2 0.369 4.328 3.960 -0.002 0.000 0.278 533 G HA3 0.369 4.328 3.960 -0.002 0.000 0.278 533 G C 0.148 175.006 174.900 -0.071 0.000 1.212 533 G CA -0.090 44.975 45.100 -0.058 0.000 0.939 533 G HN 0.652 nan 8.290 nan 0.000 0.513 534 D N 0.080 120.454 120.400 -0.044 0.000 2.133 534 D HA -0.089 4.550 4.640 -0.002 0.000 0.192 534 D C 2.624 178.916 176.300 -0.013 0.000 1.001 534 D CA 2.285 56.270 54.000 -0.025 0.000 0.844 534 D CB -0.206 40.597 40.800 0.005 0.000 0.944 534 D HN 0.615 nan 8.370 nan 0.000 0.447 535 E N 0.750 120.947 120.200 -0.005 0.000 2.118 535 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 535 E C 2.120 178.717 176.600 -0.004 0.000 0.992 535 E CA 2.192 58.593 56.400 0.002 0.000 0.804 535 E CB -1.299 28.407 29.700 0.009 0.000 0.741 535 E HN 0.509 nan 8.360 nan 0.000 0.458 536 K N 0.394 120.784 120.400 -0.017 0.000 2.211 536 K HA 0.137 4.456 4.320 -0.002 0.000 0.203 536 K C 2.124 178.707 176.600 -0.028 0.000 1.050 536 K CA 1.221 57.494 56.287 -0.023 0.000 0.945 536 K CB -0.382 32.097 32.500 -0.035 0.000 0.732 536 K HN 0.418 nan 8.250 nan 0.000 0.451 537 I N 0.967 121.514 120.570 -0.038 0.000 2.188 537 I HA -0.038 4.131 4.170 -0.002 0.000 0.237 537 I C 2.865 178.997 176.117 0.026 0.000 1.073 537 I CA 1.647 62.942 61.300 -0.009 0.000 1.359 537 I CB -1.449 36.539 38.000 -0.020 0.000 1.083 537 I HN 0.363 nan 8.210 nan 0.000 0.412 538 G N 0.318 109.128 108.800 0.018 0.000 2.475 538 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.220 538 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.220 538 G C 1.514 176.420 174.900 0.010 0.000 1.125 538 G CA 1.229 46.338 45.100 0.015 0.000 0.755 538 G HN 0.570 nan 8.290 nan 0.000 0.565 539 Q N -0.219 119.586 119.800 0.008 0.000 2.557 539 Q HA 0.342 4.681 4.340 -0.002 0.000 0.217 539 Q C 2.141 178.145 176.000 0.007 0.000 0.978 539 Q CA 1.086 56.893 55.803 0.007 0.000 0.950 539 Q CB -0.399 28.343 28.738 0.006 0.000 0.991 539 Q HN 0.555 nan 8.270 nan 0.000 0.533 540 I N -0.524 120.053 120.570 0.011 0.000 3.035 540 I HA 0.022 4.191 4.170 -0.002 0.000 0.271 540 I C 1.883 178.003 176.117 0.005 0.000 1.190 540 I CA 0.821 62.129 61.300 0.012 0.000 1.472 540 I CB 1.366 39.383 38.000 0.029 0.000 1.116 540 I HN 0.286 nan 8.210 nan 0.000 0.443 541 V N -1.510 118.404 119.914 0.001 0.000 3.542 541 V HA 0.593 4.712 4.120 -0.002 0.000 0.296 541 V C 1.108 177.201 176.094 -0.001 0.000 1.364 541 V CA 0.191 62.488 62.300 -0.005 0.000 1.118 541 V CB -0.777 31.037 31.823 -0.015 0.000 0.972 541 V HN 0.473 nan 8.190 nan 0.000 0.430 542 G N -0.439 108.362 108.800 0.003 0.000 2.414 542 G HA2 0.317 4.276 3.960 -0.002 0.000 0.256 542 G HA3 0.317 4.276 3.960 -0.002 0.000 0.256 542 G C -0.049 174.854 174.900 0.006 0.000 1.128 542 G CA 0.064 45.167 45.100 0.005 0.000 0.944 542 G HN 1.627 nan 8.290 nan 0.000 0.500 543 A N -1.473 121.351 122.820 0.007 0.000 3.742 543 A HA 1.096 5.415 4.320 -0.002 0.000 0.282 543 A C 0.649 178.240 177.584 0.012 0.000 1.117 543 A CA 0.264 52.307 52.037 0.009 0.000 0.624 543 A CB 0.440 19.444 19.000 0.008 0.000 1.548 543 A HN 1.987 nan 8.150 nan 0.000 0.723 544 G N -2.491 106.316 108.800 0.013 0.000 3.247 544 G HA2 0.610 4.569 3.960 -0.002 0.000 0.226 544 G HA3 0.610 4.569 3.960 -0.002 0.000 0.226 544 G C 0.959 175.867 174.900 0.015 0.000 1.220 544 G CA 1.186 46.294 45.100 0.014 0.000 0.875 544 G HN 1.323 nan 8.290 nan 0.000 0.606 545 K N -0.280 120.129 120.400 0.016 0.000 2.001 545 K HA -0.198 4.121 4.320 -0.002 0.000 0.223 545 K C 2.055 178.668 176.600 0.021 0.000 1.055 545 K CA 2.616 58.913 56.287 0.017 0.000 0.965 545 K CB -1.484 31.027 32.500 0.018 0.000 0.730 545 K HN 0.544 nan 8.250 nan 0.000 0.449 546 E N 0.043 120.255 120.200 0.020 0.000 2.065 546 E HA -0.188 4.162 4.350 -0.002 0.000 0.201 546 E C 2.074 178.688 176.600 0.023 0.000 1.016 546 E CA 1.102 57.515 56.400 0.021 0.000 0.818 546 E CB -0.287 29.424 29.700 0.017 0.000 0.749 546 E HN 0.398 nan 8.360 nan 0.000 0.453 547 R N 0.241 120.752 120.500 0.018 0.000 2.339 547 R HA 0.002 4.341 4.340 -0.002 0.000 0.199 547 R C 1.817 178.129 176.300 0.020 0.000 1.018 547 R CA 0.783 56.892 56.100 0.015 0.000 1.036 547 R CB -0.264 30.041 30.300 0.008 0.000 0.899 547 R HN 0.279 nan 8.270 nan 0.000 0.473 548 G N -0.879 107.938 108.800 0.028 0.000 2.743 548 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.206 548 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.206 548 G C 1.574 176.510 174.900 0.059 0.000 1.115 548 G CA 0.502 45.626 45.100 0.039 0.000 0.782 548 G HN 0.370 nan 8.290 nan 0.000 0.524 549 K N 0.322 120.753 120.400 0.052 0.000 2.296 549 K HA 0.400 4.719 4.320 -0.002 0.000 0.200 549 K C 2.157 178.808 176.600 0.084 0.000 1.048 549 K CA 1.616 57.943 56.287 0.067 0.000 0.966 549 K CB -0.817 31.712 32.500 0.049 0.000 0.754 549 K HN 0.492 nan 8.250 nan 0.000 0.466 550 E N 0.758 120.998 120.200 0.067 0.000 2.190 550 E HA 0.196 4.545 4.350 -0.002 0.000 0.191 550 E C 2.075 178.723 176.600 0.080 0.000 0.978 550 E CA 0.749 57.187 56.400 0.064 0.000 0.839 550 E CB -0.453 29.270 29.700 0.037 0.000 0.787 550 E HN 0.486 nan 8.360 nan 0.000 0.473 551 L N -0.050 121.216 121.223 0.071 0.000 2.046 551 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 551 L C 2.784 179.771 176.870 0.195 0.000 1.077 551 L CA 1.760 56.621 54.840 0.036 0.000 0.747 551 L CB -0.185 41.848 42.059 -0.043 0.000 0.896 551 L HN 0.245 nan 8.230 nan 0.000 0.432 552 K N 0.321 120.921 120.400 0.333 0.000 2.001 552 K HA -0.186 4.133 4.320 -0.002 0.000 0.208 552 K C 2.594 179.469 176.600 0.460 0.000 1.048 552 K CA 1.804 58.428 56.287 0.562 0.000 0.932 552 K CB -0.284 32.478 32.500 0.436 0.000 0.715 552 K HN 0.234 nan 8.250 nan 0.000 0.437 553 K N 2.019 122.579 120.400 0.267 0.000 2.032 553 K HA -0.225 4.094 4.320 -0.002 0.000 0.209 553 K C 1.936 178.632 176.600 0.159 0.000 1.048 553 K CA 2.136 58.530 56.287 0.178 0.000 0.927 553 K CB -0.577 31.988 32.500 0.109 0.000 0.712 553 K HN 0.059 nan 8.250 nan 0.000 0.441 554 K N -0.103 120.387 120.400 0.150 0.000 2.032 554 K HA -0.096 4.223 4.320 -0.002 0.000 0.209 554 K C 1.819 178.506 176.600 0.144 0.000 1.048 554 K CA 1.885 58.236 56.287 0.108 0.000 0.927 554 K CB -0.743 31.802 32.500 0.075 0.000 0.712 554 K HN 0.423 nan 8.250 nan 0.000 0.441 555 F N 0.987 120.992 119.950 0.091 0.000 2.095 555 F HA -0.124 4.403 4.527 -0.001 0.000 0.298 555 F C 1.594 177.462 175.800 0.112 0.000 1.104 555 F CA 1.712 59.794 58.000 0.136 0.000 1.232 555 F CB -0.283 38.928 39.000 0.353 0.000 0.987 555 F HN 0.020 nan 8.300 nan 0.000 0.475 556 L N 0.194 121.481 121.223 0.106 0.000 2.141 556 L HA -0.119 4.220 4.340 -0.002 0.000 0.209 556 L C 2.806 179.599 176.870 -0.128 0.000 1.094 556 L CA 1.460 56.251 54.840 -0.082 0.000 0.763 556 L CB -1.577 40.505 42.059 0.040 0.000 0.908 556 L HN 0.364 nan 8.230 nan 0.000 0.437 557 E N 0.154 120.318 120.200 -0.060 0.000 2.208 557 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 557 E C 1.602 178.145 176.600 -0.094 0.000 0.988 557 E CA 1.103 57.466 56.400 -0.063 0.000 0.828 557 E CB -0.500 29.187 29.700 -0.022 0.000 0.763 557 E HN 0.490 nan 8.360 nan 0.000 0.478 558 N N 0.144 118.769 118.700 -0.125 0.000 2.314 558 N HA 0.034 4.773 4.740 -0.002 0.000 0.200 558 N C -0.446 174.935 175.510 -0.214 0.000 1.135 558 N CA 0.561 53.532 53.050 -0.132 0.000 0.835 558 N CB 1.248 39.682 38.487 -0.087 0.000 0.989 558 N HN 0.285 nan 8.380 nan 0.000 0.478 559 T N 0.681 115.058 114.554 -0.295 0.000 3.631 559 T HA 0.142 4.491 4.350 -0.002 0.000 0.256 559 T C -1.929 172.610 174.700 -0.269 0.000 1.187 559 T CA -0.762 61.135 62.100 -0.338 0.000 1.667 559 T CB 2.098 70.580 68.868 -0.644 0.000 0.804 559 T HN -0.010 nan 8.240 nan 0.000 0.639 560 P HA -0.176 nan 4.420 nan 0.000 0.217 560 P C 1.624 178.804 177.300 -0.200 0.000 1.148 560 P CA 1.050 64.051 63.100 -0.164 0.000 0.828 560 P CB 0.178 31.812 31.700 -0.110 0.000 0.783 561 A N 0.015 122.730 122.820 -0.175 0.000 1.978 561 A HA -0.153 4.167 4.320 -0.002 0.000 0.220 561 A C 2.362 179.778 177.584 -0.279 0.000 1.170 561 A CA 1.354 53.290 52.037 -0.169 0.000 0.636 561 A CB -1.465 17.498 19.000 -0.060 0.000 0.810 561 A HN 0.171 nan 8.150 nan 0.000 0.448 562 I N -0.564 119.835 120.570 -0.285 0.000 2.315 562 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 562 I C 2.892 178.835 176.117 -0.290 0.000 1.117 562 I CA 0.890 62.023 61.300 -0.280 0.000 1.404 562 I CB -0.291 37.545 38.000 -0.274 0.000 1.071 562 I HN 0.361 nan 8.210 nan 0.000 0.419 563 A N 0.811 123.463 122.820 -0.281 0.000 1.898 563 A HA -0.077 4.243 4.320 -0.002 0.000 0.216 563 A C 2.556 179.937 177.584 -0.339 0.000 1.181 563 A CA 1.588 53.473 52.037 -0.254 0.000 0.620 563 A CB -0.679 18.203 19.000 -0.197 0.000 0.819 563 A HN 0.397 nan 8.150 nan 0.000 0.442 564 A N -0.302 122.228 122.820 -0.483 0.000 1.902 564 A HA -0.037 4.282 4.320 -0.002 0.000 0.217 564 A C 2.121 179.098 177.584 -1.011 0.000 1.181 564 A CA 1.746 53.318 52.037 -0.775 0.000 0.623 564 A CB -0.658 17.707 19.000 -1.058 0.000 0.818 564 A HN 0.701 nan 8.150 nan 0.000 0.443 565 L N -0.025 120.638 121.223 -0.933 0.000 2.012 565 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 565 L C 2.408 179.125 176.870 -0.256 0.000 1.073 565 L CA 2.550 57.114 54.840 -0.461 0.000 0.748 565 L CB -0.792 41.175 42.059 -0.153 0.000 0.891 565 L HN 0.469 nan 8.230 nan 0.000 0.431 566 R N -0.276 120.072 120.500 -0.252 0.000 2.091 566 R HA -0.219 4.120 4.340 -0.002 0.000 0.238 566 R C 2.232 178.435 176.300 -0.163 0.000 1.136 566 R CA 1.918 57.908 56.100 -0.182 0.000 0.959 566 R CB -0.272 29.922 30.300 -0.176 0.000 0.856 566 R HN 0.778 nan 8.270 nan 0.000 0.437 567 E N -0.244 119.842 120.200 -0.191 0.000 2.152 567 E HA -0.139 4.210 4.350 -0.002 0.000 0.192 567 E C 1.748 178.282 176.600 -0.111 0.000 0.983 567 E CA 1.374 57.686 56.400 -0.147 0.000 0.818 567 E CB -0.152 29.459 29.700 -0.150 0.000 0.758 567 E HN 0.381 nan 8.360 nan 0.000 0.467 568 S N 1.408 117.044 115.700 -0.106 0.000 2.383 568 S HA -0.112 4.357 4.470 -0.002 0.000 0.227 568 S C 2.137 176.727 174.600 -0.017 0.000 1.026 568 S CA 0.754 58.953 58.200 -0.001 0.000 0.981 568 S CB -0.616 62.691 63.200 0.179 0.000 0.818 568 S HN 0.273 nan 8.310 nan 0.000 0.472 569 I N 1.816 122.357 120.570 -0.049 0.000 2.179 569 I HA -0.210 3.959 4.170 -0.002 0.000 0.242 569 I C 2.993 179.068 176.117 -0.069 0.000 1.088 569 I CA 1.602 62.864 61.300 -0.063 0.000 1.357 569 I CB -0.440 37.507 38.000 -0.089 0.000 1.051 569 I HN 0.394 nan 8.210 nan 0.000 0.409 570 Q N 0.082 119.830 119.800 -0.086 0.000 2.230 570 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 570 Q C 2.100 178.037 176.000 -0.104 0.000 0.963 570 Q CA 0.888 56.627 55.803 -0.105 0.000 0.866 570 Q CB -0.015 28.647 28.738 -0.127 0.000 0.931 570 Q HN 0.581 nan 8.270 nan 0.000 0.452 571 Q N -0.295 119.456 119.800 -0.082 0.000 2.291 571 Q HA -0.099 4.240 4.340 -0.002 0.000 0.205 571 Q C 1.934 177.894 176.000 -0.066 0.000 0.970 571 Q CA 1.556 57.316 55.803 -0.071 0.000 0.876 571 Q CB 0.142 28.850 28.738 -0.050 0.000 0.935 571 Q HN 0.432 nan 8.270 nan 0.000 0.455 572 T N -2.906 111.608 114.554 -0.066 0.000 3.081 572 T HA 0.126 4.475 4.350 -0.002 0.000 0.255 572 T C 1.586 176.232 174.700 -0.091 0.000 1.113 572 T CA 0.172 62.224 62.100 -0.080 0.000 1.082 572 T CB 0.128 68.946 68.868 -0.083 0.000 0.939 572 T HN 0.104 nan 8.240 nan 0.000 0.506 573 L N 0.295 121.481 121.223 -0.062 0.000 2.433 573 L HA 0.409 4.748 4.340 -0.002 0.000 0.200 573 L C 0.598 177.454 176.870 -0.023 0.000 1.059 573 L CA -0.103 54.748 54.840 0.018 0.000 0.835 573 L CB 0.239 42.351 42.059 0.089 0.000 1.076 573 L HN 0.094 nan 8.230 nan 0.000 0.481 574 V N 0.080 119.889 119.914 -0.175 0.000 2.837 574 V HA 0.251 4.370 4.120 -0.002 0.000 0.310 574 V C 0.085 176.085 176.094 -0.156 0.000 1.059 574 V CA -0.743 61.394 62.300 -0.272 0.000 1.004 574 V CB 1.411 33.015 31.823 -0.365 0.000 1.045 574 V HN 0.259 nan 8.190 nan 0.000 0.465 587 K N 0.942 121.258 120.400 -0.140 0.000 2.201 587 K HA 0.763 5.082 4.320 -0.002 0.000 0.278 587 K C -0.826 175.729 176.600 -0.074 0.000 1.027 587 K CA -0.218 56.061 56.287 -0.013 0.000 0.909 587 K CB 0.932 33.434 32.500 0.002 0.000 1.062 587 K HN 0.756 nan 8.250 nan 0.000 0.465 588 W N 1.350 122.639 121.300 -0.019 0.000 2.449 588 W HA 0.443 5.103 4.660 -0.001 0.000 0.331 588 W C 1.494 177.983 176.519 -0.049 0.000 1.119 588 W CA -0.634 56.688 57.345 -0.039 0.000 1.240 588 W CB 1.842 31.282 29.460 -0.034 0.000 1.251 588 W HN 0.809 nan 8.180 nan 0.000 0.576 589 K N 0.804 121.301 120.400 0.161 0.000 2.284 589 K HA 0.186 4.505 4.320 -0.002 0.000 0.198 589 K C 0.268 176.872 176.600 0.008 0.000 1.048 589 K CA 0.753 57.070 56.287 0.049 0.000 0.987 589 K CB 0.344 32.836 32.500 -0.014 0.000 0.800 589 K HN 0.465 nan 8.250 nan 0.000 0.486 590 R N -0.509 120.008 120.500 0.029 0.000 2.736 590 R HA 0.168 4.507 4.340 -0.002 0.000 0.250 590 R C -0.981 175.255 176.300 -0.108 0.000 1.098 590 R CA -0.440 55.543 56.100 -0.195 0.000 0.978 590 R CB 0.982 30.948 30.300 -0.557 0.000 1.263 590 R HN -0.039 nan 8.270 nan 0.000 0.460 591 R N 2.478 122.847 120.500 -0.218 0.000 2.426 591 R HA 0.213 4.552 4.340 -0.002 0.000 0.263 591 R C -0.544 175.684 176.300 -0.120 0.000 0.961 591 R CA 0.266 56.141 56.100 -0.374 0.000 1.086 591 R CB 0.464 30.477 30.300 -0.479 0.000 1.186 591 R HN 0.412 nan 8.270 nan 0.000 0.537 592 W N -0.481 120.776 121.300 -0.072 0.000 3.062 592 W HA 0.542 5.201 4.660 -0.001 0.000 0.336 592 W C -1.417 175.096 176.519 -0.010 0.000 1.224 592 W CA -1.193 56.123 57.345 -0.048 0.000 1.159 592 W CB 0.574 30.017 29.460 -0.030 0.000 1.454 592 W HN -0.291 nan 8.180 nan 0.000 0.569 593 I N 2.063 122.838 120.570 0.342 0.000 2.603 593 I HA 0.262 4.431 4.170 -0.002 0.000 0.300 593 I C 0.095 176.458 176.117 0.411 0.000 1.017 593 I CA -1.091 60.344 61.300 0.226 0.000 1.098 593 I CB 2.341 40.396 38.000 0.092 0.000 1.279 593 I HN 0.316 nan 8.210 nan 0.000 0.437 594 K N 3.903 124.518 120.400 0.358 0.000 2.312 594 K HA 0.373 4.692 4.320 -0.002 0.000 0.287 594 K C 0.133 176.846 176.600 0.189 0.000 1.062 594 K CA -0.221 56.271 56.287 0.340 0.000 0.934 594 K CB 0.904 33.605 32.500 0.334 0.000 1.027 594 K HN 0.833 nan 8.250 nan 0.000 0.478 595 G N 2.963 111.851 108.800 0.146 0.000 2.616 595 G HA2 0.088 4.047 3.960 -0.002 0.000 0.268 595 G HA3 0.088 4.047 3.960 -0.002 0.000 0.268 595 G C 0.955 175.845 174.900 -0.015 0.000 1.213 595 G CA -0.668 44.481 45.100 0.081 0.000 0.926 595 G HN 0.730 nan 8.290 nan 0.000 0.523 596 L N -0.128 120.992 121.223 -0.172 0.000 2.127 596 L HA -0.076 4.263 4.340 -0.002 0.000 0.211 596 L C 1.969 178.473 176.870 -0.609 0.000 1.089 596 L CA 1.587 56.087 54.840 -0.566 0.000 0.757 596 L CB -0.237 41.126 42.059 -1.160 0.000 0.899 596 L HN 0.675 nan 8.230 nan 0.000 0.434 597 D N -1.365 118.893 120.400 -0.237 0.000 2.342 597 D HA 0.120 4.759 4.640 -0.002 0.000 0.221 597 D C 1.371 177.723 176.300 0.087 0.000 1.101 597 D CA 0.596 54.662 54.000 0.110 0.000 0.837 597 D CB 0.438 41.433 40.800 0.325 0.000 0.938 597 D HN 0.231 nan 8.370 nan 0.000 0.508 598 G N 1.205 110.022 108.800 0.029 0.000 2.217 598 G HA2 -0.318 3.642 3.960 -0.002 0.000 0.246 598 G HA3 -0.318 3.642 3.960 -0.002 0.000 0.246 598 G C 0.466 175.401 174.900 0.059 0.000 0.990 598 G CA 0.080 45.191 45.100 0.018 0.000 0.627 598 G HN 0.689 nan 8.290 nan 0.000 0.522 599 R N 0.852 121.413 120.500 0.102 0.000 2.774 599 R HA 0.473 4.812 4.340 -0.002 0.000 0.269 599 R C -0.234 176.102 176.300 0.060 0.000 1.068 599 R CA -0.067 56.125 56.100 0.152 0.000 1.180 599 R CB 0.586 31.040 30.300 0.256 0.000 1.077 599 R HN 0.243 nan 8.270 nan 0.000 0.513 600 K N 1.134 121.451 120.400 -0.137 0.000 2.234 600 K HA 0.263 4.582 4.320 -0.002 0.000 0.282 600 K C -0.838 175.773 176.600 0.017 0.000 1.039 600 K CA -0.584 55.502 56.287 -0.334 0.000 0.928 600 K CB 1.727 33.680 32.500 -0.911 0.000 1.039 600 K HN 0.294 nan 8.250 nan 0.000 0.470 601 V N 3.465 123.480 119.914 0.169 0.000 2.350 601 V HA 0.047 4.166 4.120 -0.002 0.000 0.285 601 V C -0.363 175.867 176.094 0.227 0.000 1.014 601 V CA -0.900 61.506 62.300 0.178 0.000 0.831 601 V CB 0.740 32.656 31.823 0.155 0.000 1.000 601 V HN 0.737 nan 8.190 nan 0.000 0.433 602 H N 4.353 123.490 119.070 0.112 0.000 2.964 602 H HA 0.296 4.851 4.556 -0.001 0.000 0.328 602 H C -0.534 174.836 175.328 0.069 0.000 1.030 602 H CA 0.396 56.499 56.048 0.091 0.000 1.445 602 H CB 0.909 30.696 29.762 0.041 0.000 1.449 602 H HN 0.392 nan 8.280 nan 0.000 0.581 603 V N 7.907 127.498 119.914 -0.538 0.000 2.370 603 V HA 0.201 4.320 4.120 -0.002 0.000 0.283 603 V C 1.190 176.943 176.094 -0.569 0.000 1.023 603 V CA -0.450 61.641 62.300 -0.348 0.000 0.857 603 V CB 1.345 33.127 31.823 -0.068 0.000 0.985 603 V HN 0.903 nan 8.190 nan 0.000 0.443 604 R N 2.107 122.465 120.500 -0.238 0.000 2.062 604 R HA 0.106 4.445 4.340 -0.002 0.000 0.226 604 R C 0.262 176.632 176.300 0.116 0.000 1.125 604 R CA 0.826 56.886 56.100 -0.067 0.000 0.966 604 R CB 0.100 30.435 30.300 0.058 0.000 0.861 604 R HN 0.648 nan 8.270 nan 0.000 0.433 605 S N -0.268 115.533 115.700 0.168 0.000 2.536 605 S HA 0.265 4.734 4.470 -0.002 0.000 0.287 605 S C -2.295 172.423 174.600 0.196 0.000 1.101 605 S CA -1.268 57.068 58.200 0.226 0.000 0.950 605 S CB 2.372 65.645 63.200 0.121 0.000 1.056 605 S HN -0.144 nan 8.310 nan 0.000 0.481 606 P HA -0.123 nan 4.420 nan 0.000 0.219 606 P C 1.657 178.940 177.300 -0.029 0.000 1.146 606 P CA 1.723 64.787 63.100 -0.060 0.000 0.808 606 P CB -0.055 31.473 31.700 -0.287 0.000 0.779 607 H N -0.968 118.098 119.070 -0.007 0.000 2.462 607 H HA 0.325 4.880 4.556 -0.002 0.000 0.292 607 H C 1.959 177.297 175.328 0.017 0.000 1.049 607 H CA 1.336 57.383 56.048 -0.001 0.000 1.334 607 H CB -1.020 28.749 29.762 0.012 0.000 1.404 607 H HN 0.215 nan 8.280 nan 0.000 0.544 608 A N 0.324 123.167 122.820 0.039 0.000 2.275 608 A HA 0.561 4.880 4.320 -0.002 0.000 0.212 608 A C 2.730 180.332 177.584 0.030 0.000 1.201 608 A CA 1.125 53.187 52.037 0.042 0.000 0.843 608 A CB -0.708 18.326 19.000 0.056 0.000 0.873 608 A HN 0.931 nan 8.150 nan 0.000 0.492 609 A N 0.398 123.232 122.820 0.023 0.000 1.884 609 A HA -0.178 4.141 4.320 -0.002 0.000 0.219 609 A C 2.055 179.620 177.584 -0.031 0.000 1.197 609 A CA 1.957 53.998 52.037 0.007 0.000 0.637 609 A CB -0.664 18.336 19.000 0.000 0.000 0.827 609 A HN 0.812 nan 8.150 nan 0.000 0.450 610 L N 0.279 121.472 121.223 -0.050 0.000 2.046 610 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 610 L C 1.868 178.711 176.870 -0.045 0.000 1.077 610 L CA 2.340 57.133 54.840 -0.077 0.000 0.747 610 L CB -0.872 41.132 42.059 -0.091 0.000 0.896 610 L HN 0.365 nan 8.230 nan 0.000 0.432 611 N N -1.036 117.662 118.700 -0.004 0.000 2.244 611 N HA -0.130 4.609 4.740 -0.002 0.000 0.183 611 N C 1.665 177.202 175.510 0.046 0.000 1.016 611 N CA 1.677 54.748 53.050 0.035 0.000 0.866 611 N CB -0.207 38.316 38.487 0.061 0.000 0.980 611 N HN 0.436 nan 8.380 nan 0.000 0.430 612 T N 1.850 116.423 114.554 0.032 0.000 2.708 612 T HA -0.125 4.225 4.350 -0.002 0.000 0.266 612 T C 1.995 176.713 174.700 0.031 0.000 1.037 612 T CA 0.690 62.815 62.100 0.043 0.000 1.146 612 T CB -0.318 68.571 68.868 0.035 0.000 0.865 612 T HN 0.112 nan 8.240 nan 0.000 0.435 613 L N 0.846 122.050 121.223 -0.031 0.000 2.046 613 L HA 0.002 4.341 4.340 -0.002 0.000 0.208 613 L C 2.131 178.977 176.870 -0.039 0.000 1.077 613 L CA 1.644 56.415 54.840 -0.115 0.000 0.747 613 L CB -0.604 41.268 42.059 -0.311 0.000 0.896 613 L HN 0.254 nan 8.230 nan 0.000 0.432 614 L N -1.027 120.208 121.223 0.020 0.000 2.027 614 L HA -0.196 4.143 4.340 -0.002 0.000 0.206 614 L C 2.678 179.662 176.870 0.188 0.000 1.074 614 L CA 1.685 56.619 54.840 0.157 0.000 0.745 614 L CB -0.744 41.396 42.059 0.134 0.000 0.898 614 L HN 0.433 nan 8.230 nan 0.000 0.433 615 Q N -0.413 119.475 119.800 0.146 0.000 2.124 615 Q HA -0.229 4.110 4.340 -0.002 0.000 0.202 615 Q C 2.379 178.480 176.000 0.167 0.000 0.977 615 Q CA 1.915 57.812 55.803 0.157 0.000 0.850 615 Q CB 0.025 28.840 28.738 0.128 0.000 0.901 615 Q HN 0.351 nan 8.270 nan 0.000 0.429 616 S N -0.649 115.142 115.700 0.151 0.000 2.368 616 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 616 S C 1.890 176.599 174.600 0.181 0.000 1.029 616 S CA 1.024 59.318 58.200 0.157 0.000 0.988 616 S CB -0.292 62.985 63.200 0.128 0.000 0.838 616 S HN 0.550 nan 8.310 nan 0.000 0.462 617 A N 0.956 123.911 122.820 0.226 0.000 1.877 617 A HA 0.088 4.408 4.320 -0.002 0.000 0.216 617 A C 2.358 180.063 177.584 0.201 0.000 1.186 617 A CA 1.889 54.080 52.037 0.256 0.000 0.620 617 A CB -1.695 17.622 19.000 0.529 0.000 0.822 617 A HN 0.621 nan 8.150 nan 0.000 0.443 618 G N -0.649 108.288 108.800 0.229 0.000 2.418 618 G HA2 0.003 3.962 3.960 -0.002 0.000 0.217 618 G HA3 0.003 3.962 3.960 -0.002 0.000 0.217 618 G C 1.732 176.790 174.900 0.264 0.000 1.158 618 G CA 1.508 46.736 45.100 0.213 0.000 0.771 618 G HN 0.813 nan 8.290 nan 0.000 0.545 619 A N 0.586 123.572 122.820 0.276 0.000 1.898 619 A HA 0.120 4.439 4.320 -0.002 0.000 0.216 619 A C 2.421 180.238 177.584 0.389 0.000 1.181 619 A CA 1.222 53.470 52.037 0.351 0.000 0.620 619 A CB -0.367 18.808 19.000 0.291 0.000 0.819 619 A HN 0.345 nan 8.150 nan 0.000 0.442 620 L N -0.761 120.645 121.223 0.306 0.000 2.156 620 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 620 L C 2.456 179.621 176.870 0.491 0.000 1.095 620 L CA 0.908 55.959 54.840 0.351 0.000 0.770 620 L CB -0.563 41.604 42.059 0.180 0.000 0.914 620 L HN 0.364 nan 8.230 nan 0.000 0.439 621 I N -0.483 120.324 120.570 0.394 0.000 2.179 621 I HA -0.321 3.848 4.170 -0.002 0.000 0.242 621 I C 2.613 178.938 176.117 0.347 0.000 1.088 621 I CA 1.201 62.722 61.300 0.368 0.000 1.357 621 I CB -0.273 37.772 38.000 0.074 0.000 1.051 621 I HN 0.362 nan 8.210 nan 0.000 0.409 622 C N 0.397 119.932 119.300 0.392 0.000 2.435 622 C HA -0.148 4.311 4.460 -0.002 0.000 0.279 622 C C 2.790 178.024 174.990 0.406 0.000 1.321 622 C CA 0.763 60.115 59.018 0.557 0.000 1.752 622 C CB -0.921 27.248 27.740 0.716 0.000 1.959 622 C HN 0.436 nan 8.230 nan 0.000 0.500 623 K N 0.614 121.215 120.400 0.336 0.000 2.001 623 K HA -0.073 4.246 4.320 -0.002 0.000 0.208 623 K C 2.076 178.700 176.600 0.040 0.000 1.048 623 K CA 1.090 57.415 56.287 0.064 0.000 0.932 623 K CB -0.330 32.321 32.500 0.250 0.000 0.715 623 K HN 0.398 nan 8.250 nan 0.000 0.437 624 L N 0.305 121.635 121.223 0.179 0.000 2.083 624 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 624 L C 2.223 179.149 176.870 0.094 0.000 1.083 624 L CA 1.417 56.308 54.840 0.086 0.000 0.752 624 L CB -0.393 41.660 42.059 -0.011 0.000 0.899 624 L HN 0.496 nan 8.230 nan 0.000 0.433 625 W N 1.697 122.976 121.300 -0.034 0.000 2.335 625 W HA -0.256 4.404 4.660 -0.001 0.000 0.311 625 W C 2.369 178.829 176.519 -0.098 0.000 1.213 625 W CA 2.400 59.718 57.345 -0.045 0.000 1.274 625 W CB -0.476 28.982 29.460 -0.004 0.000 1.148 625 W HN 0.286 nan 8.180 nan 0.000 0.498 626 I N -1.745 118.623 120.570 -0.336 0.000 2.439 626 I HA -0.153 4.016 4.170 -0.002 0.000 0.251 626 I C 2.174 178.117 176.117 -0.289 0.000 1.139 626 I CA 1.493 62.476 61.300 -0.529 0.000 1.438 626 I CB -0.867 36.779 38.000 -0.591 0.000 1.085 626 I HN 0.017 nan 8.210 nan 0.000 0.427 627 I N 1.563 121.990 120.570 -0.238 0.000 2.163 627 I HA -0.249 3.920 4.170 -0.002 0.000 0.240 627 I C 2.652 178.620 176.117 -0.249 0.000 1.081 627 I CA 1.520 62.693 61.300 -0.211 0.000 1.353 627 I CB -0.315 37.592 38.000 -0.156 0.000 1.054 627 I HN 0.184 nan 8.210 nan 0.000 0.407 628 K N 0.799 121.044 120.400 -0.258 0.000 2.097 628 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 628 K C 1.965 178.372 176.600 -0.322 0.000 1.049 628 K CA 1.785 57.854 56.287 -0.362 0.000 0.933 628 K CB -0.495 31.767 32.500 -0.397 0.000 0.717 628 K HN 0.190 nan 8.250 nan 0.000 0.442 629 T N 0.863 115.241 114.554 -0.294 0.000 2.708 629 T HA -0.140 4.209 4.350 -0.002 0.000 0.266 629 T C 1.558 176.086 174.700 -0.288 0.000 1.037 629 T CA 1.462 63.380 62.100 -0.302 0.000 1.146 629 T CB -0.249 68.359 68.868 -0.435 0.000 0.865 629 T HN 0.355 nan 8.240 nan 0.000 0.435 630 E N 0.894 120.942 120.200 -0.253 0.000 2.110 630 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 630 E C 2.596 179.066 176.600 -0.216 0.000 0.988 630 E CA 1.560 57.798 56.400 -0.270 0.000 0.804 630 E CB -0.034 29.432 29.700 -0.390 0.000 0.745 630 E HN 0.687 nan 8.360 nan 0.000 0.458 631 E N 0.653 120.711 120.200 -0.237 0.000 2.110 631 E HA -0.155 4.194 4.350 -0.002 0.000 0.193 631 E C 1.911 178.377 176.600 -0.224 0.000 0.988 631 E CA 1.574 57.839 56.400 -0.225 0.000 0.804 631 E CB -0.649 28.883 29.700 -0.280 0.000 0.745 631 E HN 0.312 nan 8.360 nan 0.000 0.458 632 M N -0.351 119.092 119.600 -0.261 0.000 2.200 632 M HA 0.083 4.562 4.480 -0.002 0.000 0.265 632 M C 2.573 178.747 176.300 -0.210 0.000 1.066 632 M CA 1.055 56.214 55.300 -0.236 0.000 1.127 632 M CB -0.126 32.328 32.600 -0.244 0.000 1.379 632 M HN 0.250 nan 8.290 nan 0.000 0.420 633 L N -0.786 120.280 121.223 -0.262 0.000 2.056 633 L HA -0.161 4.178 4.340 -0.002 0.000 0.207 633 L C 2.365 179.153 176.870 -0.137 0.000 1.078 633 L CA 0.776 55.434 54.840 -0.303 0.000 0.749 633 L CB -0.586 41.069 42.059 -0.672 0.000 0.901 633 L HN 0.108 nan 8.230 nan 0.000 0.433 634 V N 0.177 120.047 119.914 -0.073 0.000 2.515 634 V HA -0.225 3.894 4.120 -0.002 0.000 0.250 634 V C 2.958 179.020 176.094 -0.055 0.000 1.058 634 V CA 2.039 64.336 62.300 -0.006 0.000 1.064 634 V CB -0.754 31.065 31.823 -0.006 0.000 0.675 634 V HN 0.613 nan 8.190 nan 0.000 0.461 635 E N 0.142 120.284 120.200 -0.096 0.000 2.204 635 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 635 E C 1.999 178.551 176.600 -0.081 0.000 0.989 635 E CA 1.234 57.576 56.400 -0.096 0.000 0.824 635 E CB -0.482 29.143 29.700 -0.124 0.000 0.756 635 E HN 0.688 nan 8.360 nan 0.000 0.477 636 K N -1.415 118.933 120.400 -0.087 0.000 2.525 636 K HA 0.229 4.548 4.320 -0.002 0.000 0.192 636 K C 1.305 177.873 176.600 -0.052 0.000 1.029 636 K CA 0.396 56.638 56.287 -0.076 0.000 1.029 636 K CB 0.379 32.821 32.500 -0.096 0.000 0.814 636 K HN 0.474 nan 8.250 nan 0.000 0.503 637 G N 0.848 109.625 108.800 -0.038 0.000 2.176 637 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.232 637 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.232 637 G C -0.205 174.701 174.900 0.009 0.000 0.986 637 G CA -0.480 44.608 45.100 -0.020 0.000 0.643 637 G HN 0.037 nan 8.290 nan 0.000 0.522 638 L N 1.096 122.342 121.223 0.038 0.000 2.397 638 L HA 0.519 4.858 4.340 -0.002 0.000 0.271 638 L C 0.780 177.770 176.870 0.200 0.000 1.148 638 L CA -0.134 54.785 54.840 0.131 0.000 0.825 638 L CB 1.158 43.314 42.059 0.162 0.000 1.117 638 L HN 0.116 nan 8.230 nan 0.000 0.456 639 K N 2.565 123.035 120.400 0.116 0.000 2.185 639 K HA 0.188 4.507 4.320 -0.002 0.000 0.269 639 K C -0.806 175.615 176.600 -0.298 0.000 0.987 639 K CA -0.557 55.718 56.287 -0.020 0.000 0.865 639 K CB 0.524 33.005 32.500 -0.032 0.000 1.090 639 K HN 0.703 nan 8.250 nan 0.000 0.450 640 H N 2.008 120.719 119.070 -0.599 0.000 2.800 640 H HA 0.372 4.927 4.556 -0.002 0.000 0.291 640 H C -0.033 174.912 175.328 -0.638 0.000 1.076 640 H CA 0.141 55.539 56.048 -1.083 0.000 1.452 640 H CB 0.575 29.857 29.762 -0.799 0.000 1.461 640 H HN 0.924 nan 8.280 nan 0.000 0.488 641 G N 3.363 111.919 108.800 -0.408 0.000 2.345 641 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.310 641 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.310 641 G C -0.371 174.364 174.900 -0.274 0.000 1.476 641 G CA -0.725 44.121 45.100 -0.423 0.000 0.978 641 G HN 0.705 nan 8.290 nan 0.000 0.656 642 W N -0.014 121.186 121.300 -0.168 0.000 2.519 642 W HA 0.096 4.755 4.660 -0.002 0.000 0.266 642 W C 2.056 178.604 176.519 0.049 0.000 1.253 642 W CA 0.906 58.074 57.345 -0.295 0.000 1.274 642 W CB 0.320 29.502 29.460 -0.463 0.000 1.114 642 W HN 0.648 nan 8.180 nan 0.000 0.596 643 D N -1.167 119.368 120.400 0.227 0.000 2.325 643 D HA 0.144 4.783 4.640 -0.002 0.000 0.225 643 D C 1.094 177.499 176.300 0.175 0.000 1.096 643 D CA 0.421 54.540 54.000 0.198 0.000 0.844 643 D CB -0.471 40.395 40.800 0.110 0.000 0.925 643 D HN 0.109 nan 8.370 nan 0.000 0.513 644 G N -0.047 108.882 108.800 0.215 0.000 3.392 644 G HA2 0.173 4.133 3.960 -0.002 0.000 0.185 644 G HA3 0.173 4.133 3.960 -0.002 0.000 0.185 644 G C 0.208 175.209 174.900 0.169 0.000 1.206 644 G CA -0.208 44.969 45.100 0.130 0.000 0.776 644 G HN 0.007 nan 8.290 nan 0.000 0.697 645 D N -0.866 119.575 120.400 0.069 0.000 2.470 645 D HA 0.198 4.837 4.640 -0.002 0.000 0.238 645 D C 0.090 176.393 176.300 0.005 0.000 1.054 645 D CA 0.607 54.608 54.000 0.002 0.000 0.896 645 D CB 1.068 41.922 40.800 0.088 0.000 1.118 645 D HN 0.274 nan 8.370 nan 0.000 0.497 646 F N -0.004 119.956 119.950 0.016 0.000 2.662 646 F HA 0.751 5.278 4.527 -0.001 0.000 0.312 646 F C -1.865 173.973 175.800 0.063 0.000 1.113 646 F CA -1.712 56.315 58.000 0.045 0.000 0.951 646 F CB 1.624 40.562 39.000 -0.103 0.000 1.344 646 F HN -0.170 nan 8.300 nan 0.000 0.462 647 A N 1.528 124.352 122.820 0.006 0.000 2.456 647 A HA 0.607 4.926 4.320 -0.002 0.000 0.288 647 A C -2.203 175.362 177.584 -0.032 0.000 1.042 647 A CA -0.579 51.279 52.037 -0.299 0.000 0.738 647 A CB 0.335 18.547 19.000 -1.313 0.000 1.266 647 A HN 0.687 nan 8.150 nan 0.000 0.407 648 Y N 2.371 122.648 120.300 -0.039 0.000 2.544 648 Y HA 0.191 4.740 4.550 -0.002 0.000 0.330 648 Y C 1.454 177.233 175.900 -0.202 0.000 1.136 648 Y CA 0.264 58.306 58.100 -0.097 0.000 1.417 648 Y CB 0.735 39.195 38.460 -0.001 0.000 1.229 648 Y HN 0.737 nan 8.280 nan 0.000 0.532 649 M N 1.980 121.427 119.600 -0.255 0.000 2.740 649 M HA 0.391 4.870 4.480 -0.002 0.000 0.253 649 M C 0.253 176.326 176.300 -0.377 0.000 1.341 649 M CA 0.460 55.479 55.300 -0.468 0.000 1.176 649 M CB 0.693 32.646 32.600 -1.079 0.000 1.310 649 M HN 0.554 nan 8.290 nan 0.000 0.531 650 A N -0.305 122.329 122.820 -0.310 0.000 2.589 650 A HA 0.551 4.870 4.320 -0.002 0.000 0.296 650 A C -2.598 175.028 177.584 0.069 0.000 1.062 650 A CA -0.417 51.589 52.037 -0.052 0.000 0.686 650 A CB 0.931 19.905 19.000 -0.043 0.000 1.282 650 A HN 0.374 nan 8.150 nan 0.000 0.404 651 W N 2.529 123.834 121.300 0.008 0.000 2.499 651 W HA 0.602 5.261 4.660 -0.002 0.000 0.320 651 W C -1.942 174.627 176.519 0.083 0.000 1.010 651 W CA -0.974 56.395 57.345 0.040 0.000 1.267 651 W CB 1.528 31.040 29.460 0.086 0.000 1.316 651 W HN 0.473 nan 8.180 nan 0.000 0.431 652 V N 9.537 129.408 119.914 -0.072 0.000 2.235 652 V HA 0.238 4.357 4.120 -0.002 0.000 0.266 652 V C 0.755 176.670 176.094 -0.299 0.000 1.055 652 V CA -0.114 61.967 62.300 -0.365 0.000 0.844 652 V CB -0.089 31.722 31.823 -0.020 0.000 1.097 652 V HN 0.819 nan 8.190 nan 0.000 0.453 653 H N 2.540 121.363 119.070 -0.411 0.000 1.885 653 H HA -0.235 4.320 4.556 -0.002 0.000 0.090 653 H C 1.345 176.845 175.328 0.286 0.000 0.597 653 H CA 2.262 58.231 56.048 -0.131 0.000 1.852 653 H CB -0.982 28.769 29.762 -0.019 0.000 2.184 653 H HN 0.814 nan 8.280 nan 0.000 0.953 654 D N 2.319 122.979 120.400 0.433 0.000 2.402 654 D HA 0.159 4.798 4.640 -0.002 0.000 0.216 654 D C 0.497 177.091 176.300 0.491 0.000 1.128 654 D CA 0.366 54.630 54.000 0.441 0.000 0.833 654 D CB 0.768 41.740 40.800 0.287 0.000 0.971 654 D HN 0.634 nan 8.370 nan 0.000 0.503 655 E N 0.973 121.485 120.200 0.519 0.000 2.356 655 E HA 0.487 4.836 4.350 -0.002 0.000 0.275 655 E C -1.087 175.765 176.600 0.421 0.000 0.904 655 E CA -0.963 55.718 56.400 0.469 0.000 0.757 655 E CB 2.367 32.285 29.700 0.364 0.000 1.232 655 E HN 0.197 nan 8.360 nan 0.000 0.442 656 I N -0.161 120.540 120.570 0.218 0.000 2.647 656 I HA 0.498 4.668 4.170 -0.002 0.000 0.295 656 I C -1.035 174.981 176.117 -0.168 0.000 1.078 656 I CA -1.010 60.265 61.300 -0.041 0.000 1.048 656 I CB 2.186 39.947 38.000 -0.398 0.000 1.239 656 I HN 0.272 nan 8.210 nan 0.000 0.421 657 Q N 4.708 124.328 119.800 -0.300 0.000 2.333 657 Q HA 0.605 4.944 4.340 -0.002 0.000 0.265 657 Q C -1.024 174.725 176.000 -0.418 0.000 0.989 657 Q CA -0.695 54.883 55.803 -0.375 0.000 0.842 657 Q CB 2.950 31.325 28.738 -0.605 0.000 1.262 657 Q HN 0.645 nan 8.270 nan 0.000 0.451 658 V N 1.042 120.776 119.914 -0.301 0.000 2.540 658 V HA 0.645 4.764 4.120 -0.002 0.000 0.302 658 V C 0.398 176.461 176.094 -0.051 0.000 1.035 658 V CA -0.983 61.181 62.300 -0.227 0.000 0.873 658 V CB 1.997 33.664 31.823 -0.260 0.000 0.992 658 V HN 0.816 nan 8.190 nan 0.000 0.428 659 G N 2.445 111.275 108.800 0.049 0.000 2.372 659 G HA2 0.480 4.439 3.960 -0.002 0.000 0.283 659 G HA3 0.480 4.439 3.960 -0.002 0.000 0.283 659 G C -0.491 174.674 174.900 0.441 0.000 1.177 659 G CA -0.151 45.144 45.100 0.324 0.000 0.842 659 G HN 0.794 nan 8.290 nan 0.000 0.503 660 C N 2.154 121.648 119.300 0.324 0.000 2.498 660 C HA 0.458 4.917 4.460 -0.002 0.000 0.316 660 C C 1.689 176.299 174.990 -0.634 0.000 1.209 660 C CA -0.756 58.212 59.018 -0.083 0.000 1.518 660 C CB 1.776 29.472 27.740 -0.074 0.000 2.147 660 C HN 1.065 nan 8.230 nan 0.000 0.483 661 R N 1.144 120.838 120.500 -1.342 0.000 2.096 661 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 661 R C 0.870 176.756 176.300 -0.690 0.000 1.127 661 R CA 1.944 57.050 56.100 -1.656 0.000 0.968 661 R CB 0.115 29.764 30.300 -1.085 0.000 0.861 661 R HN 0.934 nan 8.270 nan 0.000 0.440 662 T N -4.408 109.908 114.554 -0.396 0.000 2.883 662 T HA 0.231 4.580 4.350 -0.002 0.000 0.296 662 T C 0.400 175.021 174.700 -0.133 0.000 1.117 662 T CA -0.946 61.032 62.100 -0.203 0.000 1.006 662 T CB 1.806 70.585 68.868 -0.150 0.000 1.191 662 T HN 0.076 nan 8.240 nan 0.000 0.508 663 E N 0.091 120.244 120.200 -0.079 0.000 2.153 663 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 663 E C 1.756 178.322 176.600 -0.056 0.000 0.988 663 E CA 1.155 57.524 56.400 -0.051 0.000 0.811 663 E CB 0.064 29.747 29.700 -0.028 0.000 0.746 663 E HN 0.842 nan 8.360 nan 0.000 0.466 664 E N 0.814 120.976 120.200 -0.064 0.000 2.077 664 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 664 E C 2.052 178.607 176.600 -0.076 0.000 0.989 664 E CA 0.794 57.158 56.400 -0.061 0.000 0.800 664 E CB 0.015 29.681 29.700 -0.057 0.000 0.746 664 E HN 0.217 nan 8.360 nan 0.000 0.452 665 I N 0.869 121.381 120.570 -0.097 0.000 2.252 665 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 665 I C 2.567 178.618 176.117 -0.109 0.000 1.102 665 I CA 0.904 62.138 61.300 -0.110 0.000 1.385 665 I CB -0.321 37.600 38.000 -0.132 0.000 1.064 665 I HN 0.179 nan 8.210 nan 0.000 0.414 666 A N 0.051 122.815 122.820 -0.092 0.000 1.940 666 A HA -0.306 4.013 4.320 -0.002 0.000 0.219 666 A C 2.222 179.764 177.584 -0.069 0.000 1.176 666 A CA 1.899 53.893 52.037 -0.072 0.000 0.631 666 A CB -0.599 18.377 19.000 -0.041 0.000 0.814 666 A HN 0.390 nan 8.150 nan 0.000 0.446 667 Q N -0.718 119.045 119.800 -0.061 0.000 2.119 667 Q HA -0.067 4.272 4.340 -0.002 0.000 0.201 667 Q C 2.048 178.009 176.000 -0.065 0.000 0.972 667 Q CA 1.650 57.423 55.803 -0.050 0.000 0.847 667 Q CB -0.312 28.402 28.738 -0.041 0.000 0.903 667 Q HN 0.444 nan 8.270 nan 0.000 0.433 668 V N -0.814 119.048 119.914 -0.087 0.000 2.358 668 V HA -0.216 3.903 4.120 -0.002 0.000 0.246 668 V C 2.074 178.083 176.094 -0.141 0.000 1.047 668 V CA 1.361 63.597 62.300 -0.106 0.000 1.035 668 V CB -0.491 31.260 31.823 -0.119 0.000 0.658 668 V HN 0.190 nan 8.190 nan 0.000 0.452 669 V N -0.069 119.739 119.914 -0.175 0.000 2.287 669 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 669 V C 2.208 178.213 176.094 -0.150 0.000 1.053 669 V CA 2.310 64.473 62.300 -0.229 0.000 1.027 669 V CB -0.468 31.206 31.823 -0.247 0.000 0.646 669 V HN 0.440 nan 8.190 nan 0.000 0.447 670 I N -0.295 120.220 120.570 -0.091 0.000 2.226 670 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 670 I C 2.525 178.636 176.117 -0.011 0.000 1.100 670 I CA 1.739 63.019 61.300 -0.033 0.000 1.374 670 I CB -0.318 37.672 38.000 -0.016 0.000 1.057 670 I HN 0.406 nan 8.210 nan 0.000 0.413 671 E N -0.052 120.129 120.200 -0.031 0.000 2.107 671 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 671 E C 2.109 178.697 176.600 -0.019 0.000 0.982 671 E CA 1.590 57.979 56.400 -0.018 0.000 0.809 671 E CB -0.044 29.637 29.700 -0.031 0.000 0.756 671 E HN 0.422 nan 8.360 nan 0.000 0.459 672 T N 0.892 115.409 114.554 -0.061 0.000 2.777 672 T HA -0.126 4.223 4.350 -0.002 0.000 0.266 672 T C 2.012 176.695 174.700 -0.028 0.000 1.040 672 T CA 1.102 63.154 62.100 -0.079 0.000 1.141 672 T CB -0.196 68.574 68.868 -0.163 0.000 0.868 672 T HN 0.228 nan 8.240 nan 0.000 0.444 673 A N 1.349 124.166 122.820 -0.005 0.000 1.933 673 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 673 A C 2.272 180.071 177.584 0.360 0.000 1.175 673 A CA 1.986 54.116 52.037 0.156 0.000 0.628 673 A CB -0.688 18.402 19.000 0.150 0.000 0.814 673 A HN 0.450 nan 8.150 nan 0.000 0.444 674 Q N 0.187 120.099 119.800 0.186 0.000 2.079 674 Q HA -0.161 4.178 4.340 -0.002 0.000 0.200 674 Q C 1.781 177.849 176.000 0.113 0.000 0.974 674 Q CA 2.264 58.145 55.803 0.129 0.000 0.840 674 Q CB -0.412 28.367 28.738 0.068 0.000 0.898 674 Q HN 0.737 nan 8.270 nan 0.000 0.430 675 E N -0.279 119.975 120.200 0.089 0.000 2.085 675 E HA -0.191 4.158 4.350 -0.002 0.000 0.194 675 E C 1.890 178.572 176.600 0.137 0.000 0.994 675 E CA 1.115 57.564 56.400 0.081 0.000 0.801 675 E CB -0.275 29.443 29.700 0.030 0.000 0.743 675 E HN 0.514 nan 8.360 nan 0.000 0.453 676 A N 0.818 123.728 122.820 0.150 0.000 1.933 676 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 676 A C 2.095 179.893 177.584 0.357 0.000 1.175 676 A CA 1.488 53.650 52.037 0.208 0.000 0.628 676 A CB -0.383 18.698 19.000 0.134 0.000 0.814 676 A HN 0.201 nan 8.150 nan 0.000 0.444 677 M N -0.384 119.400 119.600 0.308 0.000 2.132 677 M HA -0.073 4.406 4.480 -0.002 0.000 0.263 677 M C 1.903 178.229 176.300 0.042 0.000 1.065 677 M CA 1.409 56.725 55.300 0.028 0.000 1.122 677 M CB -0.369 32.066 32.600 -0.275 0.000 1.365 677 M HN 0.257 nan 8.290 nan 0.000 0.411 678 R N -1.433 119.118 120.500 0.086 0.000 2.092 678 R HA -0.164 4.175 4.340 -0.002 0.000 0.231 678 R C 2.070 178.431 176.300 0.101 0.000 1.119 678 R CA 1.585 57.728 56.100 0.072 0.000 0.970 678 R CB -1.533 28.811 30.300 0.074 0.000 0.864 678 R HN 0.669 nan 8.270 nan 0.000 0.440 679 W N 1.197 122.487 121.300 -0.017 0.000 2.381 679 W HA -0.160 4.500 4.660 -0.001 0.000 0.301 679 W C 1.845 178.330 176.519 -0.058 0.000 1.205 679 W CA 1.063 58.388 57.345 -0.034 0.000 1.285 679 W CB -0.086 29.341 29.460 -0.054 0.000 1.133 679 W HN -0.221 nan 8.180 nan 0.000 0.521 680 V N 1.004 121.006 119.914 0.146 0.000 2.307 680 V HA -0.215 3.904 4.120 -0.002 0.000 0.245 680 V C 2.478 178.471 176.094 -0.169 0.000 1.045 680 V CA 2.115 64.359 62.300 -0.093 0.000 1.024 680 V CB -1.663 30.179 31.823 0.031 0.000 0.651 680 V HN 0.402 nan 8.190 nan 0.000 0.449 681 G N -0.270 108.476 108.800 -0.090 0.000 2.440 681 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.218 681 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.218 681 G C 1.464 176.362 174.900 -0.004 0.000 1.154 681 G CA 1.063 46.141 45.100 -0.037 0.000 0.767 681 G HN 0.568 nan 8.290 nan 0.000 0.552 682 D N 0.053 120.394 120.400 -0.099 0.000 2.149 682 D HA -0.148 4.491 4.640 -0.002 0.000 0.201 682 D C 1.987 178.151 176.300 -0.226 0.000 0.972 682 D CA 1.020 54.940 54.000 -0.133 0.000 0.835 682 D CB -0.289 40.412 40.800 -0.166 0.000 0.966 682 D HN 0.423 nan 8.370 nan 0.000 0.476 683 H N -0.978 117.748 119.070 -0.572 0.000 2.387 683 H HA -0.126 4.429 4.556 -0.002 0.000 0.299 683 H C 0.930 176.063 175.328 -0.323 0.000 1.090 683 H CA 1.751 57.366 56.048 -0.721 0.000 1.332 683 H CB -0.166 28.796 29.762 -1.333 0.000 1.386 683 H HN 0.173 nan 8.280 nan 0.000 0.516 684 W N 1.255 122.446 121.300 -0.182 0.000 3.194 684 W HA 0.291 4.950 4.660 -0.002 0.000 0.408 684 W C -0.038 176.475 176.519 -0.008 0.000 1.072 684 W CA -0.347 56.928 57.345 -0.117 0.000 1.953 684 W CB -0.566 28.882 29.460 -0.021 0.000 1.091 684 W HN 0.247 nan 8.180 nan 0.000 0.699 685 N N 0.485 119.276 118.700 0.151 0.000 2.716 685 N HA -0.270 4.469 4.740 -0.002 0.000 0.250 685 N C -0.378 175.272 175.510 0.233 0.000 1.033 685 N CA 0.952 54.082 53.050 0.133 0.000 0.727 685 N CB -1.886 36.654 38.487 0.087 0.000 0.950 685 N HN -0.009 nan 8.380 nan 0.000 0.541 686 F N 1.135 121.099 119.950 0.024 0.000 2.529 686 F HA 0.041 4.567 4.527 -0.001 0.000 0.365 686 F C 2.085 177.960 175.800 0.124 0.000 1.102 686 F CA -0.144 57.842 58.000 -0.023 0.000 1.271 686 F CB 0.647 39.570 39.000 -0.128 0.000 1.120 686 F HN -0.037 nan 8.300 nan 0.000 0.579 687 R N 2.301 122.867 120.500 0.111 0.000 2.299 687 R HA 0.038 4.377 4.340 -0.002 0.000 0.197 687 R C -0.129 176.173 176.300 0.004 0.000 0.971 687 R CA 0.256 56.353 56.100 -0.006 0.000 1.030 687 R CB -0.434 29.760 30.300 -0.178 0.000 0.932 687 R HN 0.446 nan 8.270 nan 0.000 0.477 688 C N 1.228 120.551 119.300 0.038 0.000 2.417 688 C HA 0.446 4.906 4.460 -0.002 0.000 0.324 688 C C -0.114 174.996 174.990 0.201 0.000 1.240 688 C CA -1.341 57.744 59.018 0.112 0.000 1.632 688 C CB 0.474 28.288 27.740 0.124 0.000 2.241 688 C HN 0.282 nan 8.230 nan 0.000 0.499 689 L N 6.010 127.308 121.223 0.124 0.000 2.455 689 L HA 0.433 4.772 4.340 -0.002 0.000 0.272 689 L C -0.476 176.448 176.870 0.090 0.000 1.174 689 L CA 0.670 55.569 54.840 0.098 0.000 0.869 689 L CB 0.332 42.425 42.059 0.056 0.000 1.130 689 L HN 0.590 nan 8.230 nan 0.000 0.474 690 L N 4.959 126.217 121.223 0.058 0.000 2.309 690 L HA 0.545 4.884 4.340 -0.002 0.000 0.282 690 L C -0.493 176.347 176.870 -0.050 0.000 1.036 690 L CA -0.594 54.239 54.840 -0.011 0.000 0.806 690 L CB 1.389 43.396 42.059 -0.087 0.000 1.220 690 L HN 0.609 nan 8.230 nan 0.000 0.429 691 D N 0.193 120.546 120.400 -0.077 0.000 2.559 691 D HA 0.611 5.250 4.640 -0.002 0.000 0.250 691 D C -0.663 175.558 176.300 -0.131 0.000 1.135 691 D CA -0.178 53.775 54.000 -0.077 0.000 0.955 691 D CB 2.651 43.432 40.800 -0.031 0.000 1.442 691 D HN 0.572 nan 8.370 nan 0.000 0.471 692 T N -3.895 110.608 114.554 -0.084 0.000 2.865 692 T HA 0.788 5.137 4.350 -0.002 0.000 0.294 692 T C -0.719 173.988 174.700 0.012 0.000 1.119 692 T CA -0.687 61.375 62.100 -0.064 0.000 1.007 692 T CB 1.772 70.632 68.868 -0.013 0.000 1.225 692 T HN 0.510 nan 8.240 nan 0.000 0.515 693 E N -0.527 119.699 120.200 0.045 0.000 2.290 693 E HA 0.694 5.043 4.350 -0.002 0.000 0.274 693 E C -0.325 176.320 176.600 0.074 0.000 0.889 693 E CA -0.868 55.560 56.400 0.048 0.000 0.760 693 E CB 1.555 31.275 29.700 0.034 0.000 1.206 693 E HN 1.301 nan 8.360 nan 0.000 0.419 694 G N 1.085 109.922 108.800 0.062 0.000 2.481 694 G HA2 0.689 4.648 3.960 -0.002 0.000 0.315 694 G HA3 0.689 4.648 3.960 -0.002 0.000 0.315 694 G C -0.653 174.276 174.900 0.047 0.000 1.231 694 G CA -0.685 44.454 45.100 0.064 0.000 0.968 694 G HN 0.430 nan 8.290 nan 0.000 0.482 695 K N 0.782 121.215 120.400 0.055 0.000 2.464 695 K HA 0.442 4.761 4.320 -0.002 0.000 0.253 695 K C -0.935 175.701 176.600 0.059 0.000 0.933 695 K CA -0.704 55.617 56.287 0.056 0.000 0.801 695 K CB 2.973 35.514 32.500 0.069 0.000 1.271 695 K HN 0.518 nan 8.250 nan 0.000 0.430 696 M N 1.613 121.245 119.600 0.052 0.000 2.336 696 M HA 0.594 5.073 4.480 -0.002 0.000 0.342 696 M C -0.568 175.774 176.300 0.069 0.000 1.128 696 M CA 0.030 55.359 55.300 0.050 0.000 1.016 696 M CB 1.564 34.181 32.600 0.028 0.000 1.665 696 M HN 0.850 nan 8.290 nan 0.000 0.445 697 G N 3.316 112.164 108.800 0.080 0.000 2.489 697 G HA2 0.445 4.404 3.960 -0.002 0.000 0.305 697 G HA3 0.445 4.404 3.960 -0.002 0.000 0.305 697 G C -3.178 171.778 174.900 0.093 0.000 1.311 697 G CA -0.596 44.558 45.100 0.091 0.000 0.813 697 G HN 0.423 nan 8.290 nan 0.000 0.480 698 P HA 0.125 nan 4.420 nan 0.000 0.234 698 P C 0.031 177.380 177.300 0.081 0.000 1.175 698 P CA 0.756 63.893 63.100 0.062 0.000 0.801 698 P CB 0.402 32.115 31.700 0.021 0.000 0.891 699 N N -3.260 115.529 118.700 0.148 0.000 3.243 699 N HA 0.048 4.787 4.740 -0.002 0.000 0.280 699 N C -0.029 175.692 175.510 0.352 0.000 1.545 699 N CA -0.853 52.343 53.050 0.243 0.000 0.854 699 N CB -0.499 38.123 38.487 0.226 0.000 1.612 699 N HN -0.314 nan 8.380 nan 0.000 0.577 700 W N 0.323 121.761 121.300 0.229 0.000 2.425 700 W HA 0.241 4.900 4.660 -0.002 0.000 0.277 700 W C 1.823 178.421 176.519 0.132 0.000 1.231 700 W CA 1.551 59.014 57.345 0.196 0.000 1.248 700 W CB -1.141 28.404 29.460 0.142 0.000 1.117 700 W HN 0.780 nan 8.180 nan 0.000 0.568 701 A N 0.092 123.095 122.820 0.305 0.000 1.873 701 A HA -0.165 4.154 4.320 -0.002 0.000 0.215 701 A C 2.016 179.669 177.584 0.115 0.000 1.186 701 A CA 1.921 54.021 52.037 0.105 0.000 0.616 701 A CB -0.865 18.177 19.000 0.070 0.000 0.823 701 A HN 0.189 nan 8.150 nan 0.000 0.442 702 I N -0.746 119.944 120.570 0.200 0.000 2.617 702 I HA -0.147 4.022 4.170 -0.002 0.000 0.256 702 I C 0.834 177.154 176.117 0.338 0.000 1.167 702 I CA 0.470 61.911 61.300 0.235 0.000 1.469 702 I CB -0.028 38.071 38.000 0.165 0.000 1.098 702 I HN 0.256 nan 8.210 nan 0.000 0.436 703 C N 2.132 121.644 119.300 0.352 0.000 2.271 703 C HA 0.165 4.624 4.460 -0.002 0.000 0.364 703 C C 0.983 176.220 174.990 0.412 0.000 1.337 703 C CA -0.674 58.538 59.018 0.324 0.000 1.753 703 C CB -2.633 25.261 27.740 0.256 0.000 2.123 703 C HN 0.399 nan 8.230 nan 0.000 0.577 704 H N 0.000 119.206 119.070 0.227 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 704 H CA 0.000 56.166 56.048 0.197 0.000 1.023 704 H CB 0.000 29.825 29.762 0.105 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496