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 2wes_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGNVR RIGVGQATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGXXXTSFS EACYLTHRLC EAKRAPRMLD GSLFASXXXX DATA SEQUENCE XXXXXXXXEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.041 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 I N 0.758 121.310 120.570 -0.030 0.000 2.499 2 I HA 0.537 4.707 4.170 -0.000 0.000 0.296 2 I C 0.312 176.463 176.117 0.057 0.000 0.992 2 I CA -0.321 60.987 61.300 0.013 0.000 1.297 2 I CB 1.555 39.523 38.000 -0.053 0.000 1.410 2 I HN 0.954 nan 8.210 nan 0.000 0.507 3 R N 2.484 123.023 120.500 0.064 0.000 2.191 3 R HA 0.217 4.557 4.340 -0.000 0.000 0.196 3 R C 0.032 176.371 176.300 0.065 0.000 0.991 3 R CA 0.738 56.869 56.100 0.050 0.000 1.075 3 R CB 0.401 30.720 30.300 0.032 0.000 1.040 3 R HN 0.913 nan 8.270 nan 0.000 0.526 4 S N -0.011 115.724 115.700 0.058 0.000 2.538 4 S HA 0.556 5.026 4.470 -0.000 0.000 0.288 4 S C -0.685 173.901 174.600 -0.022 0.000 1.108 4 S CA -0.820 57.392 58.200 0.020 0.000 0.971 4 S CB 2.500 65.693 63.200 -0.012 0.000 1.041 4 S HN -0.095 nan 8.310 nan 0.000 0.483 5 V N 2.791 122.690 119.914 -0.024 0.000 2.495 5 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 5 V C -0.588 175.411 176.094 -0.158 0.000 1.031 5 V CA -0.719 61.532 62.300 -0.082 0.000 0.871 5 V CB 1.747 33.595 31.823 0.042 0.000 0.988 5 V HN 0.850 nan 8.190 nan 0.000 0.432 6 V N 6.167 125.903 119.914 -0.297 0.000 2.357 6 V HA 0.496 4.616 4.120 -0.000 0.000 0.284 6 V C -0.203 175.828 176.094 -0.105 0.000 1.018 6 V CA -0.346 61.830 62.300 -0.207 0.000 0.841 6 V CB 1.561 33.221 31.823 -0.273 0.000 0.991 6 V HN 0.681 nan 8.190 nan 0.000 0.437 7 I N 5.190 125.705 120.570 -0.091 0.000 2.336 7 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 7 I C -0.366 175.696 176.117 -0.092 0.000 0.991 7 I CA -0.658 60.579 61.300 -0.105 0.000 1.227 7 I CB 1.838 39.727 38.000 -0.184 0.000 1.366 7 I HN 0.264 nan 8.210 nan 0.000 0.466 8 V N 5.649 125.529 119.914 -0.057 0.000 2.328 8 V HA 0.835 4.955 4.120 -0.000 0.000 0.278 8 V C 0.365 176.403 176.094 -0.093 0.000 1.021 8 V CA -0.382 61.886 62.300 -0.052 0.000 0.838 8 V CB 0.684 32.504 31.823 -0.006 0.000 0.999 8 V HN 1.060 nan 8.190 nan 0.000 0.447 9 G N 3.366 112.095 108.800 -0.118 0.000 2.931 9 G HA2 0.333 4.293 3.960 -0.000 0.000 0.675 9 G HA3 0.333 4.293 3.960 -0.000 0.000 0.675 9 G C -0.049 174.716 174.900 -0.224 0.000 1.339 9 G CA -0.400 44.625 45.100 -0.125 0.000 0.866 9 G HN 1.152 nan 8.290 nan 0.000 0.616 10 G N 0.342 109.058 108.800 -0.141 0.000 4.331 10 G HA2 0.687 4.647 3.960 -0.000 0.000 0.299 10 G HA3 0.687 4.647 3.960 -0.000 0.000 0.299 10 G C 0.831 175.780 174.900 0.081 0.000 1.158 10 G CA 0.993 45.984 45.100 -0.183 0.000 0.916 10 G HN 1.294 nan 8.290 nan 0.000 0.553 11 G N 0.002 108.804 108.800 0.004 0.000 2.504 11 G HA2 0.325 4.285 3.960 -0.000 0.000 0.257 11 G HA3 0.325 4.285 3.960 -0.000 0.000 0.257 11 G C 1.205 176.175 174.900 0.117 0.000 1.451 11 G CA 0.600 45.742 45.100 0.069 0.000 1.059 11 G HN 0.072 nan 8.290 nan 0.000 0.550 12 T N 0.832 115.431 114.554 0.075 0.000 2.746 12 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 12 T C 2.754 177.454 174.700 -0.000 0.000 1.039 12 T CA 1.864 63.999 62.100 0.059 0.000 1.142 12 T CB -0.483 68.409 68.868 0.040 0.000 0.866 12 T HN 0.592 nan 8.240 nan 0.000 0.444 13 A N 1.617 124.412 122.820 -0.041 0.000 1.865 13 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 13 A C 2.667 180.193 177.584 -0.098 0.000 1.191 13 A CA 2.028 54.021 52.037 -0.073 0.000 0.623 13 A CB -1.487 17.467 19.000 -0.076 0.000 0.826 13 A HN 0.514 nan 8.150 nan 0.000 0.444 14 G N -1.954 106.750 108.800 -0.159 0.000 2.421 14 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 14 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 14 G C 1.444 176.144 174.900 -0.333 0.000 1.171 14 G CA 0.920 45.835 45.100 -0.309 0.000 0.775 14 G HN 0.675 nan 8.290 nan 0.000 0.543 15 W N 0.226 121.513 121.300 -0.022 0.000 2.476 15 W HA 0.230 4.889 4.660 -0.000 0.000 0.281 15 W C 2.896 179.428 176.519 0.021 0.000 1.230 15 W CA 0.070 57.409 57.345 -0.011 0.000 1.287 15 W CB -0.092 29.352 29.460 -0.025 0.000 1.108 15 W HN 0.087 nan 8.180 nan 0.000 0.567 16 M N -0.261 119.440 119.600 0.168 0.000 2.108 16 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 16 M C 1.949 178.369 176.300 0.199 0.000 1.066 16 M CA 2.073 57.455 55.300 0.136 0.000 1.107 16 M CB -0.978 31.479 32.600 -0.240 0.000 1.356 16 M HN -0.122 nan 8.290 nan 0.000 0.406 17 T N 0.689 115.282 114.554 0.065 0.000 2.708 17 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 17 T C 1.907 176.666 174.700 0.097 0.000 1.037 17 T CA 1.577 63.708 62.100 0.051 0.000 1.146 17 T CB -0.466 68.380 68.868 -0.037 0.000 0.865 17 T HN 0.501 nan 8.240 nan 0.000 0.435 18 A N 1.527 124.390 122.820 0.072 0.000 1.883 18 A HA -0.121 4.198 4.320 -0.000 0.000 0.217 18 A C 2.647 180.348 177.584 0.196 0.000 1.186 18 A CA 2.101 54.202 52.037 0.106 0.000 0.624 18 A CB -1.025 18.034 19.000 0.099 0.000 0.822 18 A HN 0.438 nan 8.150 nan 0.000 0.444 19 S N -1.869 113.995 115.700 0.273 0.000 2.356 19 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 19 S C 1.876 176.580 174.600 0.175 0.000 1.032 19 S CA 1.583 59.948 58.200 0.275 0.000 1.005 19 S CB -0.578 62.702 63.200 0.133 0.000 0.867 19 S HN 0.645 nan 8.310 nan 0.000 0.449 20 Y N 2.045 122.367 120.300 0.037 0.000 2.181 20 Y HA -0.074 4.476 4.550 -0.000 0.000 0.288 20 Y C 2.005 177.851 175.900 -0.091 0.000 1.146 20 Y CA 1.257 59.335 58.100 -0.037 0.000 1.164 20 Y CB -0.327 38.133 38.460 -0.000 0.000 0.982 20 Y HN 0.137 nan 8.280 nan 0.000 0.515 21 L N -0.238 121.018 121.223 0.055 0.000 2.042 21 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 21 L C 2.457 179.233 176.870 -0.156 0.000 1.076 21 L CA 1.367 56.119 54.840 -0.147 0.000 0.749 21 L CB -0.527 41.513 42.059 -0.031 0.000 0.893 21 L HN 0.104 nan 8.230 nan 0.000 0.432 22 K N 0.046 120.432 120.400 -0.023 0.000 2.097 22 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 22 K C 2.173 178.738 176.600 -0.058 0.000 1.050 22 K CA 1.340 57.622 56.287 -0.008 0.000 0.938 22 K CB -0.349 32.170 32.500 0.032 0.000 0.718 22 K HN 0.268 nan 8.250 nan 0.000 0.442 23 A N 1.188 123.963 122.820 -0.076 0.000 1.933 23 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 23 A C 2.336 179.772 177.584 -0.247 0.000 1.175 23 A CA 1.990 53.928 52.037 -0.165 0.000 0.628 23 A CB -0.415 18.450 19.000 -0.225 0.000 0.814 23 A HN 0.290 nan 8.150 nan 0.000 0.444 24 A N -1.702 120.946 122.820 -0.287 0.000 1.898 24 A HA 0.255 4.574 4.320 -0.000 0.000 0.214 24 A C 1.540 179.038 177.584 -0.143 0.000 1.183 24 A CA 1.363 53.201 52.037 -0.332 0.000 0.622 24 A CB -0.317 18.229 19.000 -0.758 0.000 0.824 24 A HN 0.453 nan 8.150 nan 0.000 0.444 25 F N -1.270 118.611 119.950 -0.115 0.000 2.728 25 F HA 0.226 4.753 4.527 -0.000 0.000 0.314 25 F C 0.979 176.720 175.800 -0.100 0.000 1.094 25 F CA -0.763 57.160 58.000 -0.129 0.000 1.217 25 F CB -0.398 38.486 39.000 -0.192 0.000 1.056 25 F HN 0.283 nan 8.300 nan 0.000 0.577 26 D N 1.598 122.039 120.400 0.067 0.000 3.750 26 D HA -0.335 4.305 4.640 -0.000 0.000 0.149 26 D C 1.013 177.327 176.300 0.024 0.000 0.867 26 D CA 2.398 56.404 54.000 0.011 0.000 1.010 26 D CB -0.750 40.038 40.800 -0.020 0.000 0.462 26 D HN 0.308 nan 8.370 nan 0.000 0.436 27 D N -0.161 120.242 120.400 0.004 0.000 2.328 27 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 27 D C 1.163 177.463 176.300 -0.001 0.000 1.066 27 D CA 0.245 54.245 54.000 0.000 0.000 0.861 27 D CB -0.462 40.331 40.800 -0.012 0.000 0.912 27 D HN 0.398 nan 8.370 nan 0.000 0.521 28 R N -0.207 120.294 120.500 0.001 0.000 2.391 28 R HA 0.309 4.649 4.340 -0.000 0.000 0.249 28 R C -0.273 175.996 176.300 -0.052 0.000 0.957 28 R CA -0.207 55.868 56.100 -0.042 0.000 1.093 28 R CB 0.099 30.345 30.300 -0.090 0.000 1.156 28 R HN 0.171 nan 8.270 nan 0.000 0.526 29 I N 0.222 120.805 120.570 0.022 0.000 2.692 29 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 29 I C -1.705 174.444 176.117 0.054 0.000 1.200 29 I CA -0.843 60.489 61.300 0.053 0.000 1.036 29 I CB 2.320 40.414 38.000 0.157 0.000 1.258 29 I HN -0.130 nan 8.210 nan 0.000 0.421 30 D N 6.715 127.144 120.400 0.049 0.000 2.233 30 D HA 0.530 5.170 4.640 -0.000 0.000 0.240 30 D C -0.876 175.447 176.300 0.038 0.000 1.074 30 D CA -0.018 54.004 54.000 0.037 0.000 0.838 30 D CB 2.257 43.071 40.800 0.023 0.000 1.124 30 D HN 0.176 nan 8.370 nan 0.000 0.475 31 V N 2.099 122.034 119.914 0.035 0.000 2.531 31 V HA 0.443 4.562 4.120 -0.000 0.000 0.301 31 V C 0.034 176.138 176.094 0.017 0.000 1.034 31 V CA -0.541 61.774 62.300 0.024 0.000 0.865 31 V CB 2.163 34.010 31.823 0.040 0.000 0.995 31 V HN 0.496 nan 8.190 nan 0.000 0.424 32 T N 5.910 120.457 114.554 -0.012 0.000 2.812 32 T HA 0.607 4.956 4.350 -0.000 0.000 0.282 32 T C -0.713 173.959 174.700 -0.046 0.000 0.990 32 T CA -0.284 61.813 62.100 -0.006 0.000 0.960 32 T CB 1.532 70.394 68.868 -0.010 0.000 0.948 32 T HN 0.511 nan 8.240 nan 0.000 0.438 33 L N 4.295 125.491 121.223 -0.045 0.000 2.313 33 L HA 0.735 5.075 4.340 -0.000 0.000 0.283 33 L C -1.097 175.755 176.870 -0.029 0.000 1.013 33 L CA -0.713 54.039 54.840 -0.147 0.000 0.816 33 L CB 0.937 42.707 42.059 -0.483 0.000 1.236 33 L HN 0.403 nan 8.230 nan 0.000 0.419 34 V N 4.721 124.597 119.914 -0.063 0.000 2.384 34 V HA 0.469 4.589 4.120 -0.000 0.000 0.287 34 V C -0.417 175.655 176.094 -0.036 0.000 1.020 34 V CA -0.517 61.758 62.300 -0.042 0.000 0.850 34 V CB 1.379 33.181 31.823 -0.036 0.000 0.987 34 V HN 0.853 nan 8.190 nan 0.000 0.436 35 E N 2.657 122.861 120.200 0.008 0.000 2.317 35 E HA 0.606 4.956 4.350 -0.000 0.000 0.270 35 E C -0.754 175.867 176.600 0.034 0.000 0.885 35 E CA -0.701 55.720 56.400 0.035 0.000 0.760 35 E CB 2.017 31.788 29.700 0.119 0.000 1.227 35 E HN 0.431 nan 8.360 nan 0.000 0.434 36 S N 1.195 116.915 115.700 0.033 0.000 2.562 36 S HA 0.240 4.710 4.470 -0.000 0.000 0.281 36 S C 1.053 175.685 174.600 0.052 0.000 1.333 36 S CA 0.206 58.427 58.200 0.034 0.000 1.052 36 S CB 0.600 63.818 63.200 0.030 0.000 0.884 36 S HN 0.700 nan 8.310 nan 0.000 0.506 37 G N 2.989 111.816 108.800 0.045 0.000 2.712 37 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.212 37 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.212 37 G C 0.862 175.793 174.900 0.050 0.000 1.142 37 G CA 0.581 45.712 45.100 0.052 0.000 0.789 37 G HN 0.873 nan 8.290 nan 0.000 0.535 38 N N -1.449 117.278 118.700 0.045 0.000 2.297 38 N HA 0.100 4.840 4.740 -0.000 0.000 0.208 38 N C 0.033 175.567 175.510 0.039 0.000 1.176 38 N CA -0.157 52.917 53.050 0.041 0.000 0.882 38 N CB 0.583 39.092 38.487 0.036 0.000 1.134 38 N HN -0.023 nan 8.380 nan 0.000 0.489 39 V N 2.665 122.602 119.914 0.037 0.000 2.427 39 V HA 0.254 4.373 4.120 -0.000 0.000 0.268 39 V C 0.268 176.386 176.094 0.039 0.000 1.046 39 V CA -0.594 61.726 62.300 0.034 0.000 0.970 39 V CB 0.355 32.193 31.823 0.025 0.000 1.001 39 V HN 0.247 nan 8.190 nan 0.000 0.476 40 R N 4.639 125.164 120.500 0.042 0.000 2.438 40 R HA 0.294 4.633 4.340 -0.000 0.000 0.287 40 R C 0.563 176.886 176.300 0.038 0.000 1.077 40 R CA -0.390 55.739 56.100 0.048 0.000 1.034 40 R CB 0.815 31.147 30.300 0.053 0.000 0.993 40 R HN 0.834 nan 8.270 nan 0.000 0.459 41 R N 1.899 122.426 120.500 0.045 0.000 2.679 41 R HA 0.225 4.565 4.340 -0.000 0.000 0.269 41 R C 0.230 176.545 176.300 0.025 0.000 1.076 41 R CA -0.658 55.458 56.100 0.026 0.000 1.160 41 R CB 0.388 30.718 30.300 0.051 0.000 1.054 41 R HN 0.325 nan 8.270 nan 0.000 0.507 42 I N 2.225 122.789 120.570 -0.010 0.000 2.742 42 I HA -0.030 4.140 4.170 -0.000 0.000 0.287 42 I C 1.140 177.288 176.117 0.052 0.000 1.186 42 I CA 0.744 62.047 61.300 0.005 0.000 1.417 42 I CB 0.453 38.413 38.000 -0.066 0.000 1.377 42 I HN 1.066 nan 8.210 nan 0.000 0.556 43 G N 6.095 114.944 108.800 0.083 0.000 3.377 43 G HA2 0.321 4.281 3.960 -0.000 0.000 0.257 43 G HA3 0.321 4.281 3.960 -0.000 0.000 0.257 43 G C 0.456 175.436 174.900 0.134 0.000 1.038 43 G CA -0.016 45.147 45.100 0.105 0.000 0.809 43 G HN 0.528 nan 8.290 nan 0.000 0.526 44 V N -1.117 118.886 119.914 0.148 0.000 3.503 44 V HA 0.678 4.798 4.120 -0.000 0.000 0.300 44 V C 1.084 177.291 176.094 0.188 0.000 1.099 44 V CA -0.370 62.044 62.300 0.189 0.000 1.117 44 V CB 0.142 32.112 31.823 0.245 0.000 1.122 44 V HN 0.178 nan 8.190 nan 0.000 0.476 45 G N 1.369 110.294 108.800 0.209 0.000 2.398 45 G HA2 0.455 4.415 3.960 -0.000 0.000 0.246 45 G HA3 0.455 4.415 3.960 -0.000 0.000 0.246 45 G C -0.410 174.546 174.900 0.092 0.000 1.289 45 G CA -0.418 44.797 45.100 0.193 0.000 0.869 45 G HN 0.868 nan 8.290 nan 0.000 0.543 46 Q N -0.041 119.820 119.800 0.101 0.000 2.397 46 Q HA 0.612 4.952 4.340 -0.000 0.000 0.275 46 Q C -0.453 175.492 176.000 -0.091 0.000 1.090 46 Q CA -0.930 54.859 55.803 -0.024 0.000 0.809 46 Q CB 2.565 31.342 28.738 0.065 0.000 1.362 46 Q HN 0.685 nan 8.270 nan 0.000 0.431 47 A N 1.092 123.895 122.820 -0.028 0.000 2.282 47 A HA 0.821 5.141 4.320 -0.000 0.000 0.319 47 A C -0.056 177.518 177.584 -0.016 0.000 1.121 47 A CA -0.291 51.780 52.037 0.056 0.000 0.836 47 A CB 0.992 20.115 19.000 0.206 0.000 1.146 47 A HN 0.750 nan 8.150 nan 0.000 0.494 48 T N -1.789 112.771 114.554 0.010 0.000 2.858 48 T HA 0.726 5.075 4.350 -0.000 0.000 0.285 48 T C -0.585 174.256 174.700 0.236 0.000 1.052 48 T CA -0.487 61.679 62.100 0.109 0.000 1.009 48 T CB 1.052 69.985 68.868 0.109 0.000 1.241 48 T HN 0.758 nan 8.240 nan 0.000 0.542 49 F N 0.297 120.259 119.950 0.020 0.000 2.557 49 F HA 0.550 5.076 4.527 -0.000 0.000 0.336 49 F C 1.646 177.216 175.800 -0.383 0.000 1.058 49 F CA -0.817 57.103 58.000 -0.133 0.000 0.988 49 F CB 1.758 40.626 39.000 -0.221 0.000 1.275 49 F HN 0.711 nan 8.300 nan 0.000 0.488 50 S N -0.806 113.696 115.700 -1.997 0.000 2.442 50 S HA -0.187 4.283 4.470 -0.000 0.000 0.236 50 S C 1.704 175.865 174.600 -0.731 0.000 1.007 50 S CA 1.403 58.722 58.200 -1.469 0.000 0.965 50 S CB -1.388 60.907 63.200 -1.509 0.000 0.773 50 S HN 0.844 nan 8.310 nan 0.000 0.504 51 T N -0.537 113.748 114.554 -0.449 0.000 3.035 51 T HA 0.103 4.453 4.350 -0.000 0.000 0.268 51 T C 1.572 176.353 174.700 0.135 0.000 1.109 51 T CA 0.654 62.797 62.100 0.071 0.000 1.119 51 T CB -0.633 68.499 68.868 0.440 0.000 0.900 51 T HN 0.208 nan 8.240 nan 0.000 0.503 52 V N 3.145 123.126 119.914 0.113 0.000 2.490 52 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 52 V C 2.911 179.250 176.094 0.408 0.000 1.061 52 V CA 2.099 64.578 62.300 0.299 0.000 1.064 52 V CB -0.688 31.372 31.823 0.395 0.000 0.670 52 V HN 0.709 nan 8.190 nan 0.000 0.461 53 R N -0.885 119.762 120.500 0.245 0.000 2.119 53 R HA -0.260 4.080 4.340 -0.000 0.000 0.246 53 R C 2.061 178.484 176.300 0.204 0.000 1.146 53 R CA 2.311 58.554 56.100 0.239 0.000 0.962 53 R CB -1.201 29.053 30.300 -0.078 0.000 0.863 53 R HN 0.579 nan 8.270 nan 0.000 0.442 54 H N -0.255 118.957 119.070 0.237 0.000 2.387 54 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 54 H C 1.872 177.345 175.328 0.242 0.000 1.090 54 H CA 1.598 57.773 56.048 0.213 0.000 1.332 54 H CB -0.448 29.419 29.762 0.175 0.000 1.386 54 H HN 0.307 nan 8.280 nan 0.000 0.516 55 F N 0.959 121.025 119.950 0.194 0.000 2.084 55 F HA -0.173 4.353 4.527 -0.000 0.000 0.296 55 F C 2.069 177.809 175.800 -0.100 0.000 1.111 55 F CA 1.123 59.133 58.000 0.016 0.000 1.224 55 F CB -0.610 38.258 39.000 -0.220 0.000 0.991 55 F HN -0.100 nan 8.300 nan 0.000 0.471 56 F N 1.052 121.021 119.950 0.032 0.000 2.134 56 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 56 F C 2.340 178.098 175.800 -0.070 0.000 1.097 56 F CA 1.558 59.452 58.000 -0.177 0.000 1.264 56 F CB -1.026 37.824 39.000 -0.250 0.000 1.001 56 F HN -0.027 nan 8.300 nan 0.000 0.479 57 D N -0.792 119.745 120.400 0.228 0.000 2.133 57 D HA -0.261 4.379 4.640 -0.000 0.000 0.195 57 D C 2.025 178.371 176.300 0.077 0.000 0.997 57 D CA 1.428 55.529 54.000 0.168 0.000 0.840 57 D CB -0.822 40.100 40.800 0.204 0.000 0.947 57 D HN 0.321 nan 8.370 nan 0.000 0.452 58 Y N 0.576 120.833 120.300 -0.073 0.000 2.224 58 Y HA -0.156 4.394 4.550 -0.000 0.000 0.289 58 Y C 1.945 177.670 175.900 -0.291 0.000 1.146 58 Y CA 0.906 58.899 58.100 -0.179 0.000 1.182 58 Y CB -0.073 38.270 38.460 -0.194 0.000 0.983 58 Y HN -0.103 nan 8.280 nan 0.000 0.524 59 L N -0.021 121.038 121.223 -0.273 0.000 2.465 59 L HA 0.142 4.482 4.340 -0.000 0.000 0.224 59 L C 1.782 178.605 176.870 -0.078 0.000 1.145 59 L CA 1.389 56.033 54.840 -0.327 0.000 0.834 59 L CB -0.980 40.641 42.059 -0.730 0.000 0.944 59 L HN 0.420 nan 8.230 nan 0.000 0.451 60 G N -0.359 108.408 108.800 -0.056 0.000 2.160 60 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.244 60 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.244 60 G C 0.073 175.041 174.900 0.113 0.000 1.022 60 G CA 0.118 45.233 45.100 0.026 0.000 0.741 60 G HN 0.263 nan 8.290 nan 0.000 0.508 61 L N 0.386 121.701 121.223 0.153 0.000 2.296 61 L HA 0.514 4.854 4.340 -0.000 0.000 0.286 61 L C 0.249 177.308 176.870 0.314 0.000 1.023 61 L CA -0.948 54.050 54.840 0.262 0.000 0.812 61 L CB 1.544 43.801 42.059 0.331 0.000 1.223 61 L HN 0.189 nan 8.230 nan 0.000 0.421 62 D N 1.090 121.646 120.400 0.260 0.000 2.345 62 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 62 D C 1.227 177.643 176.300 0.192 0.000 1.108 62 D CA -0.212 53.918 54.000 0.217 0.000 0.894 62 D CB 1.185 42.063 40.800 0.131 0.000 1.203 62 D HN 0.689 nan 8.370 nan 0.000 0.430 63 E N 2.914 123.172 120.200 0.097 0.000 2.118 63 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 63 E C 1.497 177.827 176.600 -0.449 0.000 0.992 63 E CA 0.876 57.061 56.400 -0.358 0.000 0.804 63 E CB -0.008 29.643 29.700 -0.081 0.000 0.741 63 E HN 0.414 nan 8.360 nan 0.000 0.458 64 R N 0.334 120.747 120.500 -0.145 0.000 2.200 64 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 64 R C 2.107 178.297 176.300 -0.185 0.000 1.127 64 R CA 1.578 57.592 56.100 -0.143 0.000 0.989 64 R CB -0.118 30.159 30.300 -0.039 0.000 0.869 64 R HN 0.319 nan 8.270 nan 0.000 0.459 65 E N 0.437 120.557 120.200 -0.132 0.000 2.057 65 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 65 E C 1.808 178.329 176.600 -0.131 0.000 0.969 65 E CA 1.093 57.467 56.400 -0.043 0.000 0.812 65 E CB -0.335 29.433 29.700 0.113 0.000 0.777 65 E HN 0.445 nan 8.360 nan 0.000 0.455 66 W N 0.425 121.532 121.300 -0.321 0.000 2.539 66 W HA 0.081 4.741 4.660 -0.000 0.000 0.281 66 W C 1.443 177.578 176.519 -0.640 0.000 1.220 66 W CA 0.051 56.994 57.345 -0.669 0.000 1.332 66 W CB -0.852 28.182 29.460 -0.711 0.000 1.095 66 W HN 0.153 nan 8.180 nan 0.000 0.571 67 L N 2.975 123.365 121.223 -1.387 0.000 2.012 67 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 67 L C -0.551 175.924 176.870 -0.658 0.000 1.073 67 L CA 2.270 56.319 54.840 -1.317 0.000 0.748 67 L CB -1.958 39.253 42.059 -1.414 0.000 0.891 67 L HN -0.259 nan 8.230 nan 0.000 0.431 68 P HA -0.139 nan 4.420 nan 0.000 0.218 68 P C 1.290 178.402 177.300 -0.313 0.000 1.149 68 P CA 1.428 64.252 63.100 -0.458 0.000 0.817 68 P CB -0.086 31.369 31.700 -0.409 0.000 0.785 69 R N -1.555 118.776 120.500 -0.281 0.000 2.316 69 R HA 0.042 4.382 4.340 -0.000 0.000 0.202 69 R C 0.467 176.691 176.300 -0.126 0.000 1.029 69 R CA 0.588 56.584 56.100 -0.173 0.000 1.018 69 R CB -0.416 29.798 30.300 -0.143 0.000 0.888 69 R HN 0.213 nan 8.270 nan 0.000 0.471 70 C N 0.101 119.313 119.300 -0.147 0.000 2.742 70 C HA 0.434 4.894 4.460 -0.000 0.000 0.283 70 C C 0.805 175.823 174.990 0.047 0.000 1.451 70 C CA -0.496 58.499 59.018 -0.037 0.000 1.785 70 C CB -0.286 27.433 27.740 -0.035 0.000 2.664 70 C HN 0.503 nan 8.230 nan 0.000 0.544 71 A N 0.556 123.379 122.820 0.006 0.000 2.783 71 A HA -0.041 4.279 4.320 -0.000 0.000 0.292 71 A C 0.818 178.470 177.584 0.113 0.000 1.495 71 A CA 0.806 52.897 52.037 0.090 0.000 0.787 71 A CB -1.734 17.362 19.000 0.160 0.000 1.017 71 A HN 0.975 nan 8.150 nan 0.000 0.516 72 G N -1.259 107.520 108.800 -0.035 0.000 2.527 72 G HA2 0.633 4.593 3.960 -0.000 0.000 0.248 72 G HA3 0.633 4.593 3.960 -0.000 0.000 0.248 72 G C 0.433 175.313 174.900 -0.033 0.000 1.231 72 G CA 0.410 45.491 45.100 -0.033 0.000 0.838 72 G HN 1.645 nan 8.290 nan 0.000 0.570 73 G N -1.014 107.811 108.800 0.043 0.000 2.818 73 G HA2 0.579 4.539 3.960 -0.000 0.000 0.286 73 G HA3 0.579 4.539 3.960 -0.000 0.000 0.286 73 G C -1.650 173.209 174.900 -0.068 0.000 1.364 73 G CA -0.914 44.207 45.100 0.034 0.000 0.938 73 G HN 0.499 nan 8.290 nan 0.000 0.490 74 Y N -0.152 120.254 120.300 0.177 0.000 2.334 74 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 74 Y C 0.637 176.515 175.900 -0.036 0.000 1.130 74 Y CA -0.393 57.721 58.100 0.024 0.000 1.163 74 Y CB 2.083 40.493 38.460 -0.084 0.000 1.207 74 Y HN 0.298 nan 8.280 nan 0.000 0.471 75 K N 3.946 124.356 120.400 0.016 0.000 2.507 75 K HA 0.369 4.689 4.320 -0.000 0.000 0.253 75 K C -0.407 176.335 176.600 0.236 0.000 0.969 75 K CA -0.242 56.040 56.287 -0.009 0.000 0.908 75 K CB 0.525 32.861 32.500 -0.273 0.000 1.127 75 K HN 0.841 nan 8.250 nan 0.000 0.437 76 L N 2.397 123.736 121.223 0.193 0.000 2.509 76 L HA 0.284 4.624 4.340 -0.000 0.000 0.222 76 L C 1.013 177.858 176.870 -0.042 0.000 1.123 76 L CA 0.337 55.274 54.840 0.162 0.000 0.856 76 L CB 0.345 42.425 42.059 0.034 0.000 0.985 76 L HN 0.898 nan 8.230 nan 0.000 0.456 77 G N -0.212 108.485 108.800 -0.172 0.000 2.336 77 G HA2 0.338 4.298 3.960 -0.000 0.000 0.286 77 G HA3 0.338 4.298 3.960 -0.000 0.000 0.286 77 G C -1.761 173.032 174.900 -0.180 0.000 1.269 77 G CA -0.720 44.102 45.100 -0.462 0.000 0.873 77 G HN -0.119 nan 8.290 nan 0.000 0.494 78 I N 0.605 121.082 120.570 -0.156 0.000 2.498 78 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 78 I C 0.198 176.206 176.117 -0.181 0.000 1.032 78 I CA -0.743 60.469 61.300 -0.147 0.000 1.073 78 I CB 2.238 40.037 38.000 -0.335 0.000 1.251 78 I HN 0.479 nan 8.210 nan 0.000 0.426 79 R N 5.799 126.140 120.500 -0.265 0.000 2.216 79 R HA 0.416 4.756 4.340 -0.000 0.000 0.332 79 R C -1.595 174.355 176.300 -0.583 0.000 1.056 79 R CA -0.281 55.487 56.100 -0.553 0.000 0.901 79 R CB 0.511 30.451 30.300 -0.601 0.000 1.039 79 R HN 0.376 nan 8.270 nan 0.000 0.456 80 F N 3.106 122.671 119.950 -0.641 0.000 2.391 80 F HA 0.272 4.799 4.527 -0.000 0.000 0.359 80 F C 0.329 175.998 175.800 -0.218 0.000 1.122 80 F CA -0.283 57.376 58.000 -0.570 0.000 1.120 80 F CB 1.515 39.751 39.000 -1.273 0.000 1.142 80 F HN 0.481 nan 8.300 nan 0.000 0.483 81 E N 2.749 123.124 120.200 0.292 0.000 2.210 81 E HA 0.331 4.681 4.350 -0.000 0.000 0.266 81 E C -0.316 176.425 176.600 0.235 0.000 0.883 81 E CA -0.448 56.086 56.400 0.224 0.000 0.761 81 E CB 0.700 30.430 29.700 0.050 0.000 1.156 81 E HN 0.591 nan 8.360 nan 0.000 0.412 82 N N 2.567 121.367 118.700 0.167 0.000 2.850 82 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 82 N C -0.221 175.213 175.510 -0.127 0.000 1.060 82 N CA 1.015 54.062 53.050 -0.006 0.000 0.825 82 N CB -1.323 37.099 38.487 -0.108 0.000 1.132 82 N HN 0.625 nan 8.380 nan 0.000 0.564 83 W N 0.718 121.979 121.300 -0.065 0.000 2.476 83 W HA 0.127 4.787 4.660 -0.000 0.000 0.281 83 W C 1.999 178.393 176.519 -0.209 0.000 1.230 83 W CA 1.218 58.463 57.345 -0.168 0.000 1.287 83 W CB 0.032 29.472 29.460 -0.034 0.000 1.108 83 W HN 0.049 nan 8.180 nan 0.000 0.567 84 S N -1.448 114.321 115.700 0.115 0.000 3.252 84 S HA 0.092 4.562 4.470 -0.000 0.000 0.175 84 S C -0.077 174.523 174.600 -0.000 0.000 0.799 84 S CA -0.554 57.668 58.200 0.036 0.000 0.985 84 S CB -0.419 62.821 63.200 0.067 0.000 1.036 84 S HN -0.267 nan 8.310 nan 0.000 0.821 85 E N 3.301 123.519 120.200 0.031 0.000 2.417 85 E HA 0.221 4.571 4.350 -0.000 0.000 0.261 85 E C -2.565 174.046 176.600 0.019 0.000 1.000 85 E CA -1.827 54.584 56.400 0.019 0.000 0.919 85 E CB -0.130 29.588 29.700 0.030 0.000 0.955 85 E HN 0.130 nan 8.360 nan 0.000 0.455 86 P HA 0.010 nan 4.420 nan 0.000 0.264 86 P C 0.835 178.150 177.300 0.025 0.000 1.193 86 P CA 0.814 63.909 63.100 -0.009 0.000 0.763 86 P CB 0.545 32.234 31.700 -0.019 0.000 0.810 87 G N 1.882 110.706 108.800 0.040 0.000 2.267 87 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 87 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 87 G C 0.137 175.130 174.900 0.154 0.000 0.998 87 G CA -0.144 45.004 45.100 0.080 0.000 0.620 87 G HN 0.562 nan 8.290 nan 0.000 0.529 88 E N -0.046 120.233 120.200 0.131 0.000 2.343 88 E HA 0.588 4.938 4.350 -0.000 0.000 0.269 88 E C -0.032 176.706 176.600 0.230 0.000 1.047 88 E CA -0.286 56.192 56.400 0.130 0.000 0.874 88 E CB 0.667 30.411 29.700 0.074 0.000 1.033 88 E HN 0.652 nan 8.360 nan 0.000 0.409 89 Y N 0.020 120.379 120.300 0.097 0.000 2.677 89 Y HA 0.710 5.260 4.550 -0.000 0.000 0.334 89 Y C -1.139 174.842 175.900 0.134 0.000 1.154 89 Y CA -1.514 56.611 58.100 0.042 0.000 1.070 89 Y CB 1.048 39.434 38.460 -0.122 0.000 1.294 89 Y HN 0.470 nan 8.280 nan 0.000 0.475 90 F N -1.525 118.465 119.950 0.067 0.000 2.713 90 F HA 0.722 5.249 4.527 -0.000 0.000 0.311 90 F C -2.370 173.392 175.800 -0.063 0.000 1.141 90 F CA -1.984 56.017 58.000 0.002 0.000 0.939 90 F CB 1.028 40.057 39.000 0.049 0.000 1.325 90 F HN 0.470 nan 8.300 nan 0.000 0.453 91 Y N 0.766 121.255 120.300 0.315 0.000 2.334 91 Y HA 0.350 4.900 4.550 -0.000 0.000 0.328 91 Y C -0.092 176.022 175.900 0.357 0.000 1.130 91 Y CA -0.499 57.688 58.100 0.143 0.000 1.163 91 Y CB 1.004 39.454 38.460 -0.017 0.000 1.207 91 Y HN 0.791 nan 8.280 nan 0.000 0.471 92 H N 5.335 124.589 119.070 0.307 0.000 2.661 92 H HA 0.342 4.898 4.556 -0.000 0.000 0.290 92 H C -2.740 172.607 175.328 0.031 0.000 1.082 92 H CA -2.567 53.630 56.048 0.248 0.000 1.234 92 H CB 0.875 30.832 29.762 0.326 0.000 1.387 92 H HN 0.411 nan 8.280 nan 0.000 0.476 93 P HA 0.133 nan 4.420 nan 0.000 0.283 93 P C -0.903 176.355 177.300 -0.071 0.000 1.271 93 P CA -0.765 62.226 63.100 -0.181 0.000 0.841 93 P CB 1.402 32.898 31.700 -0.340 0.000 1.122 94 F N 0.774 120.774 119.950 0.084 0.000 2.499 94 F HA 0.423 4.950 4.527 -0.000 0.000 0.353 94 F C 0.952 176.773 175.800 0.036 0.000 1.196 94 F CA 0.052 58.125 58.000 0.121 0.000 1.244 94 F CB -0.377 38.658 39.000 0.058 0.000 1.577 94 F HN 0.305 nan 8.300 nan 0.000 0.614 95 E N 1.934 122.112 120.200 -0.037 0.000 2.481 95 E HA 0.295 4.645 4.350 -0.000 0.000 0.301 95 E C -0.936 175.292 176.600 -0.620 0.000 0.948 95 E CA -0.786 55.497 56.400 -0.195 0.000 0.804 95 E CB 1.361 31.103 29.700 0.070 0.000 1.265 95 E HN 0.410 nan 8.360 nan 0.000 0.406 96 R N 2.965 123.164 120.500 -0.502 0.000 2.490 96 R HA 0.338 4.678 4.340 -0.000 0.000 0.280 96 R C 0.033 176.269 176.300 -0.107 0.000 1.077 96 R CA -0.414 55.426 56.100 -0.434 0.000 1.065 96 R CB 0.622 30.799 30.300 -0.205 0.000 1.003 96 R HN 0.442 nan 8.270 nan 0.000 0.470 97 L N 3.393 124.637 121.223 0.035 0.000 2.490 97 L HA 0.082 4.422 4.340 -0.000 0.000 0.274 97 L C 0.905 177.788 176.870 0.022 0.000 1.201 97 L CA 0.350 55.227 54.840 0.062 0.000 0.869 97 L CB 0.218 42.366 42.059 0.150 0.000 1.123 97 L HN 0.407 nan 8.230 nan 0.000 0.484 98 R N 1.686 122.181 120.500 -0.009 0.000 2.615 98 R HA 0.451 4.790 4.340 -0.000 0.000 0.270 98 R C -0.886 175.441 176.300 0.045 0.000 1.081 98 R CA -0.564 55.533 56.100 -0.005 0.000 1.154 98 R CB 0.942 31.219 30.300 -0.039 0.000 1.063 98 R HN 0.319 nan 8.270 nan 0.000 0.519 99 V N 2.279 122.225 119.914 0.054 0.000 2.540 99 V HA 0.350 4.470 4.120 -0.000 0.000 0.302 99 V C -0.580 175.584 176.094 0.116 0.000 1.035 99 V CA -0.708 61.662 62.300 0.117 0.000 0.873 99 V CB 1.989 33.863 31.823 0.086 0.000 0.992 99 V HN 0.404 nan 8.190 nan 0.000 0.428 100 V N 3.553 123.608 119.914 0.235 0.000 2.443 100 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 100 V C -0.241 176.095 176.094 0.403 0.000 1.021 100 V CA -0.583 61.816 62.300 0.165 0.000 0.848 100 V CB 1.496 33.230 31.823 -0.147 0.000 0.998 100 V HN 0.994 nan 8.190 nan 0.000 0.424 101 D N 4.397 124.947 120.400 0.251 0.000 2.708 101 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 101 D C 1.308 177.816 176.300 0.348 0.000 1.146 101 D CA 1.808 55.987 54.000 0.299 0.000 0.662 101 D CB -1.106 39.913 40.800 0.366 0.000 1.059 101 D HN 1.430 nan 8.370 nan 0.000 0.428 102 G N -1.630 107.280 108.800 0.184 0.000 2.176 102 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.253 102 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.253 102 G C 0.134 174.870 174.900 -0.274 0.000 0.979 102 G CA 0.230 45.294 45.100 -0.060 0.000 0.641 102 G HN 0.410 nan 8.290 nan 0.000 0.530 103 F N 1.406 121.449 119.950 0.155 0.000 2.532 103 F HA 0.571 5.098 4.527 -0.000 0.000 0.321 103 F C 0.472 176.374 175.800 0.169 0.000 1.089 103 F CA -0.858 57.163 58.000 0.035 0.000 0.926 103 F CB 1.435 40.240 39.000 -0.325 0.000 1.168 103 F HN 0.238 nan 8.300 nan 0.000 0.459 104 N N 1.691 120.556 118.700 0.275 0.000 2.399 104 N HA 0.069 4.809 4.740 -0.000 0.000 0.250 104 N C 0.744 176.472 175.510 0.362 0.000 1.272 104 N CA -0.397 52.813 53.050 0.266 0.000 0.928 104 N CB 0.516 39.121 38.487 0.196 0.000 1.158 104 N HN 0.474 nan 8.380 nan 0.000 0.463 105 M N 0.046 119.822 119.600 0.292 0.000 2.267 105 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 105 M C 1.867 178.461 176.300 0.490 0.000 1.063 105 M CA 1.440 56.913 55.300 0.288 0.000 1.090 105 M CB -1.916 30.682 32.600 -0.004 0.000 1.392 105 M HN 0.840 nan 8.290 nan 0.000 0.422 106 A N 0.241 123.321 122.820 0.433 0.000 1.877 106 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 106 A C 2.147 179.951 177.584 0.367 0.000 1.186 106 A CA 1.469 53.782 52.037 0.460 0.000 0.620 106 A CB -0.465 18.675 19.000 0.234 0.000 0.822 106 A HN 0.449 nan 8.150 nan 0.000 0.443 107 E N -0.835 119.500 120.200 0.225 0.000 2.051 107 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 107 E C 1.870 178.485 176.600 0.026 0.000 0.991 107 E CA 1.280 57.708 56.400 0.047 0.000 0.799 107 E CB -0.427 29.235 29.700 -0.064 0.000 0.748 107 E HN 0.888 nan 8.360 nan 0.000 0.449 108 W N 0.105 121.543 121.300 0.231 0.000 2.363 108 W HA -0.174 4.486 4.660 -0.000 0.000 0.296 108 W C 2.263 179.017 176.519 0.392 0.000 1.212 108 W CA 0.302 57.797 57.345 0.250 0.000 1.260 108 W CB -0.641 28.951 29.460 0.220 0.000 1.131 108 W HN 0.221 nan 8.180 nan 0.000 0.530 109 W N 0.642 122.296 121.300 0.591 0.000 2.358 109 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 109 W C 1.894 178.506 176.519 0.155 0.000 1.208 109 W CA 1.775 59.350 57.345 0.383 0.000 1.274 109 W CB -0.612 29.106 29.460 0.430 0.000 1.138 109 W HN -0.213 nan 8.180 nan 0.000 0.515 110 L N 0.263 121.563 121.223 0.128 0.000 2.141 110 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 110 L C 2.593 179.350 176.870 -0.189 0.000 1.094 110 L CA 1.284 56.034 54.840 -0.150 0.000 0.763 110 L CB -1.079 40.976 42.059 -0.006 0.000 0.908 110 L HN 0.110 nan 8.230 nan 0.000 0.437 111 A N -0.434 122.346 122.820 -0.066 0.000 1.911 111 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 111 A C 1.651 179.213 177.584 -0.037 0.000 1.189 111 A CA 1.332 53.339 52.037 -0.050 0.000 0.639 111 A CB -0.002 18.988 19.000 -0.016 0.000 0.839 111 A HN 0.266 nan 8.150 nan 0.000 0.449 112 V N -3.580 116.340 119.914 0.011 0.000 3.172 112 V HA 0.570 4.690 4.120 -0.000 0.000 0.343 112 V C 0.655 176.645 176.094 -0.173 0.000 1.429 112 V CA -0.010 62.284 62.300 -0.011 0.000 1.149 112 V CB -0.360 31.550 31.823 0.144 0.000 1.106 112 V HN 0.409 nan 8.190 nan 0.000 0.526 118 S N 2.490 118.222 115.700 0.053 0.000 2.600 118 S HA 0.487 4.957 4.470 -0.000 0.000 0.265 118 S C 1.312 175.753 174.600 -0.264 0.000 1.325 118 S CA -0.603 57.606 58.200 0.015 0.000 1.002 118 S CB 0.333 63.505 63.200 -0.046 0.000 0.921 118 S HN 0.627 nan 8.310 nan 0.000 0.554 119 F N 2.595 122.058 119.950 -0.810 0.000 2.095 119 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 119 F C 2.532 177.945 175.800 -0.645 0.000 1.104 119 F CA 2.374 59.499 58.000 -1.457 0.000 1.232 119 F CB -1.153 36.954 39.000 -1.488 0.000 0.987 119 F HN 0.749 nan 8.300 nan 0.000 0.475 120 S N -0.605 114.691 115.700 -0.673 0.000 2.383 120 S HA -0.226 4.243 4.470 -0.000 0.000 0.227 120 S C 2.045 176.452 174.600 -0.321 0.000 1.026 120 S CA 1.087 59.074 58.200 -0.354 0.000 0.981 120 S CB -0.912 62.482 63.200 0.323 0.000 0.818 120 S HN 0.718 nan 8.310 nan 0.000 0.472 121 E N 1.746 121.559 120.200 -0.645 0.000 2.072 121 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 121 E C 2.152 178.540 176.600 -0.354 0.000 0.985 121 E CA 0.977 56.873 56.400 -0.840 0.000 0.801 121 E CB -0.454 28.738 29.700 -0.847 0.000 0.750 121 E HN 0.660 nan 8.360 nan 0.000 0.452 122 A N 0.114 122.747 122.820 -0.311 0.000 1.898 122 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 122 A C 2.287 179.861 177.584 -0.016 0.000 1.181 122 A CA 1.379 53.350 52.037 -0.109 0.000 0.620 122 A CB -0.487 18.467 19.000 -0.077 0.000 0.819 122 A HN 0.510 nan 8.150 nan 0.000 0.442 123 C N -2.586 116.504 119.300 -0.351 0.000 2.735 123 C HA 0.355 4.815 4.460 -0.000 0.000 0.271 123 C C -0.116 174.550 174.990 -0.541 0.000 1.281 123 C CA -0.460 58.268 59.018 -0.483 0.000 1.719 123 C CB -1.277 25.923 27.740 -0.900 0.000 2.024 123 C HN 0.501 nan 8.230 nan 0.000 0.566 124 Y N -0.362 119.874 120.300 -0.107 0.000 2.391 124 Y HA 0.400 4.949 4.550 -0.000 0.000 0.341 124 Y C 0.834 176.756 175.900 0.037 0.000 0.965 124 Y CA -1.038 57.058 58.100 -0.006 0.000 1.067 124 Y CB 0.633 39.089 38.460 -0.007 0.000 1.199 124 Y HN -0.100 nan 8.280 nan 0.000 0.450 125 L N 0.607 121.985 121.223 0.259 0.000 2.042 125 L HA -0.218 4.121 4.340 -0.000 0.000 0.210 125 L C 1.825 178.699 176.870 0.007 0.000 1.076 125 L CA 1.897 56.804 54.840 0.113 0.000 0.749 125 L CB -0.564 41.560 42.059 0.108 0.000 0.893 125 L HN 0.757 nan 8.230 nan 0.000 0.432 126 T N -2.084 112.505 114.554 0.060 0.000 2.778 126 T HA -0.284 4.066 4.350 -0.000 0.000 0.269 126 T C 1.718 176.278 174.700 -0.233 0.000 1.050 126 T CA 1.653 63.693 62.100 -0.099 0.000 1.137 126 T CB -0.392 68.462 68.868 -0.022 0.000 0.860 126 T HN 0.467 nan 8.240 nan 0.000 0.468 127 H N 1.329 120.277 119.070 -0.204 0.000 2.289 127 H HA -0.072 4.484 4.556 -0.000 0.000 0.296 127 H C 2.517 177.673 175.328 -0.287 0.000 1.091 127 H CA 1.590 57.457 56.048 -0.301 0.000 1.274 127 H CB 0.177 29.917 29.762 -0.036 0.000 1.364 127 H HN 0.035 nan 8.280 nan 0.000 0.490 128 R N -0.186 120.324 120.500 0.017 0.000 2.075 128 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 128 R C 2.344 178.557 176.300 -0.145 0.000 1.126 128 R CA 0.799 56.886 56.100 -0.021 0.000 0.963 128 R CB -0.786 29.504 30.300 -0.016 0.000 0.858 128 R HN 0.317 nan 8.270 nan 0.000 0.435 129 L N 0.459 121.540 121.223 -0.237 0.000 2.046 129 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 129 L C 2.598 179.333 176.870 -0.225 0.000 1.077 129 L CA 1.431 56.102 54.840 -0.283 0.000 0.747 129 L CB -0.917 40.883 42.059 -0.432 0.000 0.896 129 L HN 0.155 nan 8.230 nan 0.000 0.432 130 C N -0.990 118.109 119.300 -0.335 0.000 2.453 130 C HA -0.105 4.354 4.460 -0.000 0.000 0.277 130 C C 2.665 177.594 174.990 -0.101 0.000 1.262 130 C CA 0.232 59.071 59.018 -0.298 0.000 1.718 130 C CB -0.654 26.440 27.740 -1.076 0.000 2.031 130 C HN 0.511 nan 8.230 nan 0.000 0.480 131 E N 0.938 121.024 120.200 -0.191 0.000 2.118 131 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 131 E C 2.110 178.733 176.600 0.039 0.000 0.992 131 E CA 1.608 58.011 56.400 0.006 0.000 0.804 131 E CB -0.425 29.305 29.700 0.050 0.000 0.741 131 E HN 0.683 nan 8.360 nan 0.000 0.458 132 A N 0.292 123.107 122.820 -0.008 0.000 2.275 132 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 132 A C 0.492 178.076 177.584 0.000 0.000 1.201 132 A CA 0.103 52.137 52.037 -0.005 0.000 0.843 132 A CB -0.154 18.826 19.000 -0.034 0.000 0.873 132 A HN 0.183 nan 8.150 nan 0.000 0.492 133 K N -0.136 120.279 120.400 0.025 0.000 3.071 133 K HA -0.146 4.174 4.320 -0.000 0.000 0.265 133 K C -0.469 176.130 176.600 -0.002 0.000 1.060 133 K CA 0.459 56.768 56.287 0.037 0.000 0.767 133 K CB -1.001 31.521 32.500 0.037 0.000 1.241 133 K HN 0.407 nan 8.250 nan 0.000 0.486 134 R N 0.310 120.772 120.500 -0.064 0.000 2.539 134 R HA 0.398 4.738 4.340 -0.000 0.000 0.275 134 R C 0.669 176.879 176.300 -0.150 0.000 1.077 134 R CA 0.236 56.266 56.100 -0.117 0.000 1.097 134 R CB 0.522 30.700 30.300 -0.203 0.000 1.018 134 R HN 0.343 nan 8.270 nan 0.000 0.483 135 A N 4.031 126.752 122.820 -0.164 0.000 2.351 135 A HA 0.324 4.644 4.320 -0.000 0.000 0.257 135 A C -1.469 175.817 177.584 -0.496 0.000 1.087 135 A CA -1.108 50.733 52.037 -0.326 0.000 0.798 135 A CB 0.130 18.990 19.000 -0.235 0.000 1.033 135 A HN 0.503 nan 8.150 nan 0.000 0.488 136 P HA 0.068 nan 4.420 nan 0.000 0.249 136 P C -0.021 177.047 177.300 -0.386 0.000 1.229 136 P CA 0.591 63.388 63.100 -0.505 0.000 0.788 136 P CB 0.276 31.445 31.700 -0.886 0.000 1.072 137 R N -0.421 119.695 120.500 -0.639 0.000 2.686 137 R HA 0.492 4.832 4.340 -0.000 0.000 0.286 137 R C 0.451 176.487 176.300 -0.439 0.000 0.969 137 R CA -1.106 54.646 56.100 -0.580 0.000 0.898 137 R CB 1.428 31.156 30.300 -0.953 0.000 1.183 137 R HN -0.072 nan 8.270 nan 0.000 0.456 138 M N 2.500 121.978 119.600 -0.204 0.000 2.232 138 M HA 0.033 4.513 4.480 -0.000 0.000 0.321 138 M C 1.592 177.923 176.300 0.052 0.000 1.101 138 M CA 0.365 55.627 55.300 -0.064 0.000 1.181 138 M CB 0.313 32.901 32.600 -0.020 0.000 1.432 138 M HN 0.657 nan 8.290 nan 0.000 0.457 139 L N 1.141 122.446 121.223 0.135 0.000 2.187 139 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 139 L C 1.629 178.611 176.870 0.188 0.000 1.100 139 L CA 1.173 56.148 54.840 0.225 0.000 0.765 139 L CB -0.648 41.483 42.059 0.121 0.000 0.904 139 L HN 0.730 nan 8.230 nan 0.000 0.437 140 D N -0.729 119.740 120.400 0.116 0.000 2.378 140 D HA -0.026 4.613 4.640 -0.000 0.000 0.227 140 D C 1.516 177.884 176.300 0.113 0.000 1.012 140 D CA 0.914 54.967 54.000 0.089 0.000 0.905 140 D CB 0.065 40.896 40.800 0.051 0.000 0.895 140 D HN 0.288 nan 8.370 nan 0.000 0.532 141 G N -0.159 108.743 108.800 0.169 0.000 2.213 141 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 141 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 141 G C 0.389 175.313 174.900 0.040 0.000 0.991 141 G CA 0.267 45.466 45.100 0.166 0.000 0.629 141 G HN 0.858 nan 8.290 nan 0.000 0.517 142 S N 0.819 116.526 115.700 0.011 0.000 2.576 142 S HA 0.669 5.139 4.470 -0.000 0.000 0.276 142 S C 0.402 174.966 174.600 -0.060 0.000 1.339 142 S CA -0.604 57.588 58.200 -0.013 0.000 1.039 142 S CB 2.078 65.276 63.200 -0.004 0.000 0.902 142 S HN 0.923 nan 8.310 nan 0.000 0.516 143 L N 3.277 124.465 121.223 -0.058 0.000 2.456 143 L HA 0.247 4.586 4.340 -0.000 0.000 0.272 143 L C 1.109 177.904 176.870 -0.126 0.000 1.189 143 L CA -0.462 54.316 54.840 -0.103 0.000 0.846 143 L CB -0.260 41.738 42.059 -0.100 0.000 1.111 143 L HN 0.861 nan 8.230 nan 0.000 0.475 144 F N 2.444 122.288 119.950 -0.176 0.000 2.269 144 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 144 F C 1.875 177.557 175.800 -0.198 0.000 1.082 144 F CA 0.983 58.854 58.000 -0.214 0.000 1.360 144 F CB -0.751 38.069 39.000 -0.299 0.000 1.041 144 F HN 0.522 nan 8.300 nan 0.000 0.512 145 A N 0.753 123.117 122.820 -0.760 0.000 1.997 145 A HA -0.157 4.163 4.320 -0.000 0.000 0.221 145 A C 1.819 179.347 177.584 -0.093 0.000 1.172 145 A CA 1.635 53.422 52.037 -0.417 0.000 0.645 145 A CB -1.330 17.543 19.000 -0.211 0.000 0.813 145 A HN 0.627 nan 8.150 nan 0.000 0.454 160 Q N 0.212 120.009 119.800 -0.004 0.000 2.408 160 Q HA 0.227 4.567 4.340 -0.000 0.000 0.205 160 Q C 1.631 177.628 176.000 -0.005 0.000 0.919 160 Q CA 0.454 56.255 55.803 -0.002 0.000 0.932 160 Q CB 0.293 29.033 28.738 0.003 0.000 1.058 160 Q HN 0.198 nan 8.270 nan 0.000 0.517 161 R N 1.732 122.217 120.500 -0.025 0.000 2.148 161 R HA 0.021 4.360 4.340 -0.000 0.000 0.227 161 R C 1.935 178.188 176.300 -0.078 0.000 1.103 161 R CA 1.498 57.564 56.100 -0.057 0.000 0.983 161 R CB -0.659 29.593 30.300 -0.080 0.000 0.874 161 R HN 0.382 nan 8.270 nan 0.000 0.451 162 A N -0.455 122.330 122.820 -0.058 0.000 1.968 162 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 162 A C 2.003 179.518 177.584 -0.115 0.000 1.169 162 A CA 1.198 53.199 52.037 -0.060 0.000 0.638 162 A CB -0.354 18.639 19.000 -0.011 0.000 0.812 162 A HN 0.355 nan 8.150 nan 0.000 0.446 163 Q N -1.103 118.585 119.800 -0.187 0.000 2.172 163 Q HA 0.025 4.365 4.340 -0.000 0.000 0.200 163 Q C -0.597 174.950 176.000 -0.754 0.000 0.964 163 Q CA 1.126 56.659 55.803 -0.450 0.000 0.855 163 Q CB -0.131 28.306 28.738 -0.501 0.000 0.918 163 Q HN 0.576 nan 8.270 nan 0.000 0.444 164 F N 0.836 120.753 119.950 -0.055 0.000 2.622 164 F HA 0.358 4.885 4.527 -0.000 0.000 0.338 164 F C -2.144 173.663 175.800 0.013 0.000 1.334 164 F CA -2.274 55.739 58.000 0.022 0.000 1.179 164 F CB 1.583 40.584 39.000 0.002 0.000 1.471 164 F HN -0.070 nan 8.300 nan 0.000 0.576 165 P HA 0.059 nan 4.420 nan 0.000 0.225 165 P C -0.462 176.666 177.300 -0.287 0.000 1.813 165 P CA -0.165 62.825 63.100 -0.184 0.000 1.013 165 P CB -0.795 30.752 31.700 -0.255 0.000 1.961 166 Y N 0.766 121.035 120.300 -0.052 0.000 2.511 166 Y HA 0.473 5.023 4.550 -0.000 0.000 0.347 166 Y C 0.284 175.993 175.900 -0.317 0.000 1.257 166 Y CA -0.817 57.286 58.100 0.004 0.000 1.469 166 Y CB 0.226 38.717 38.460 0.053 0.000 1.353 166 Y HN 0.361 nan 8.280 nan 0.000 0.617 167 A N 2.182 124.968 122.820 -0.058 0.000 3.120 167 A HA 0.814 5.134 4.320 -0.000 0.000 0.213 167 A C -1.777 175.570 177.584 -0.394 0.000 1.202 167 A CA -0.974 50.860 52.037 -0.340 0.000 0.876 167 A CB 0.478 19.365 19.000 -0.188 0.000 1.456 167 A HN 0.815 nan 8.150 nan 0.000 0.530 168 Y N -1.594 118.738 120.300 0.054 0.000 2.576 168 Y HA 0.577 5.127 4.550 -0.000 0.000 0.346 168 Y C -0.418 175.258 175.900 -0.374 0.000 1.018 168 Y CA -0.446 57.607 58.100 -0.079 0.000 1.050 168 Y CB 1.871 40.415 38.460 0.139 0.000 1.280 168 Y HN 0.707 nan 8.280 nan 0.000 0.474 169 H N 1.680 120.808 119.070 0.097 0.000 2.492 169 H HA 0.686 5.242 4.556 -0.000 0.000 0.345 169 H C -1.052 174.286 175.328 0.017 0.000 1.136 169 H CA -0.830 55.191 56.048 -0.046 0.000 1.202 169 H CB 1.536 31.323 29.762 0.040 0.000 1.524 169 H HN 0.571 nan 8.280 nan 0.000 0.506 170 F N -1.393 118.731 119.950 0.291 0.000 2.773 170 F HA 0.269 4.796 4.527 -0.000 0.000 0.314 170 F C -1.339 174.565 175.800 0.172 0.000 1.160 170 F CA -1.453 56.670 58.000 0.205 0.000 0.920 170 F CB 1.317 40.451 39.000 0.223 0.000 1.323 170 F HN 0.325 nan 8.300 nan 0.000 0.457 171 D N 1.429 122.127 120.400 0.496 0.000 2.325 171 D HA 0.316 4.955 4.640 -0.000 0.000 0.251 171 D C 0.979 177.446 176.300 0.278 0.000 1.196 171 D CA 0.516 54.707 54.000 0.317 0.000 0.866 171 D CB 2.060 42.976 40.800 0.194 0.000 1.101 171 D HN 0.807 nan 8.370 nan 0.000 0.476 172 A N 4.825 127.816 122.820 0.285 0.000 1.883 172 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 172 A C 1.769 179.416 177.584 0.105 0.000 1.186 172 A CA 1.383 53.543 52.037 0.205 0.000 0.624 172 A CB -0.176 18.936 19.000 0.187 0.000 0.822 172 A HN 0.657 nan 8.150 nan 0.000 0.444 173 D N -0.387 120.076 120.400 0.106 0.000 2.104 173 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 173 D C 1.953 178.287 176.300 0.056 0.000 0.994 173 D CA 1.348 55.397 54.000 0.081 0.000 0.830 173 D CB -0.258 40.592 40.800 0.083 0.000 0.959 173 D HN 0.450 nan 8.370 nan 0.000 0.452 174 E N 0.602 120.835 120.200 0.055 0.000 2.077 174 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 174 E C 2.297 178.904 176.600 0.013 0.000 0.989 174 E CA 0.347 56.770 56.400 0.037 0.000 0.800 174 E CB -0.538 29.188 29.700 0.042 0.000 0.746 174 E HN 0.180 nan 8.360 nan 0.000 0.452 175 V N 1.108 120.979 119.914 -0.072 0.000 2.358 175 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 175 V C 2.211 178.300 176.094 -0.009 0.000 1.047 175 V CA 1.981 64.200 62.300 -0.135 0.000 1.035 175 V CB -0.397 31.078 31.823 -0.580 0.000 0.658 175 V HN 0.234 nan 8.190 nan 0.000 0.452 176 A N 0.029 122.853 122.820 0.005 0.000 1.908 176 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 176 A C 2.351 179.851 177.584 -0.139 0.000 1.181 176 A CA 2.149 54.215 52.037 0.047 0.000 0.627 176 A CB -0.701 18.392 19.000 0.155 0.000 0.818 176 A HN 0.592 nan 8.150 nan 0.000 0.445 177 R N -2.166 118.282 120.500 -0.086 0.000 2.073 177 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 177 R C 2.121 178.331 176.300 -0.150 0.000 1.134 177 R CA 1.942 57.957 56.100 -0.143 0.000 0.952 177 R CB -0.532 29.749 30.300 -0.032 0.000 0.850 177 R HN 0.660 nan 8.270 nan 0.000 0.433 178 Y N 0.879 121.096 120.300 -0.138 0.000 2.181 178 Y HA -0.202 4.347 4.550 -0.000 0.000 0.288 178 Y C 1.749 177.591 175.900 -0.096 0.000 1.146 178 Y CA 1.723 59.773 58.100 -0.084 0.000 1.164 178 Y CB -0.142 38.310 38.460 -0.013 0.000 0.982 178 Y HN 0.030 nan 8.280 nan 0.000 0.515 179 L N -0.377 120.810 121.223 -0.059 0.000 2.093 179 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 179 L C 2.719 179.416 176.870 -0.288 0.000 1.085 179 L CA 1.368 56.154 54.840 -0.089 0.000 0.755 179 L CB -0.894 41.225 42.059 0.100 0.000 0.904 179 L HN 0.340 nan 8.230 nan 0.000 0.435 180 S N -0.559 114.640 115.700 -0.835 0.000 2.383 180 S HA -0.274 4.195 4.470 -0.000 0.000 0.229 180 S C 1.840 175.944 174.600 -0.827 0.000 1.030 180 S CA 1.473 58.653 58.200 -1.699 0.000 1.002 180 S CB -0.373 61.419 63.200 -2.347 0.000 0.829 180 S HN 0.490 nan 8.310 nan 0.000 0.467 181 E N 0.086 119.961 120.200 -0.542 0.000 2.051 181 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 181 E C 1.934 178.373 176.600 -0.268 0.000 0.991 181 E CA 1.213 57.401 56.400 -0.354 0.000 0.799 181 E CB -0.359 29.156 29.700 -0.307 0.000 0.748 181 E HN 0.731 nan 8.360 nan 0.000 0.449 182 Y N 0.610 120.665 120.300 -0.408 0.000 2.081 182 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 182 Y C 2.047 177.846 175.900 -0.168 0.000 1.163 182 Y CA 2.216 60.141 58.100 -0.292 0.000 1.135 182 Y CB -0.387 37.898 38.460 -0.292 0.000 0.970 182 Y HN 0.135 nan 8.280 nan 0.000 0.498 183 A N 0.026 122.905 122.820 0.098 0.000 1.897 183 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 183 A C 2.231 179.829 177.584 0.025 0.000 1.181 183 A CA 1.689 53.813 52.037 0.145 0.000 0.620 183 A CB -1.040 18.188 19.000 0.380 0.000 0.821 183 A HN 0.573 nan 8.150 nan 0.000 0.443 184 I N 0.031 120.572 120.570 -0.048 0.000 2.286 184 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 184 I C 2.857 178.926 176.117 -0.080 0.000 1.115 184 I CA 0.991 62.265 61.300 -0.043 0.000 1.392 184 I CB -0.256 37.685 38.000 -0.098 0.000 1.065 184 I HN 0.337 nan 8.210 nan 0.000 0.418 185 A N 0.578 123.310 122.820 -0.148 0.000 2.076 185 A HA -0.155 4.164 4.320 -0.000 0.000 0.220 185 A C 2.118 179.598 177.584 -0.172 0.000 1.160 185 A CA 1.416 53.352 52.037 -0.167 0.000 0.653 185 A CB -0.481 18.384 19.000 -0.226 0.000 0.801 185 A HN 0.395 nan 8.150 nan 0.000 0.455 186 R N -1.792 118.600 120.500 -0.180 0.000 2.507 186 R HA 0.323 4.663 4.340 -0.000 0.000 0.298 186 R C 0.927 177.186 176.300 -0.070 0.000 0.999 186 R CA 0.511 56.516 56.100 -0.158 0.000 1.082 186 R CB 0.237 30.397 30.300 -0.232 0.000 1.246 186 R HN 0.600 nan 8.270 nan 0.000 0.553 187 G N 0.245 109.023 108.800 -0.037 0.000 2.159 187 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.227 187 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.227 187 G C 0.087 175.007 174.900 0.034 0.000 0.986 187 G CA -0.305 44.794 45.100 -0.002 0.000 0.651 187 G HN 0.126 nan 8.290 nan 0.000 0.523 188 V N 1.889 121.841 119.914 0.062 0.000 2.521 188 V HA 0.276 4.395 4.120 -0.000 0.000 0.286 188 V C 1.358 177.528 176.094 0.127 0.000 1.034 188 V CA -0.068 62.297 62.300 0.108 0.000 1.045 188 V CB 1.148 33.084 31.823 0.189 0.000 0.974 188 V HN 0.504 nan 8.190 nan 0.000 0.480 189 R N 4.529 125.092 120.500 0.105 0.000 2.442 189 R HA 0.161 4.501 4.340 -0.000 0.000 0.291 189 R C -0.178 176.239 176.300 0.195 0.000 1.069 189 R CA -0.288 55.883 56.100 0.118 0.000 1.022 189 R CB 0.264 30.605 30.300 0.069 0.000 0.976 189 R HN 0.900 nan 8.270 nan 0.000 0.443 190 H N 3.916 123.042 119.070 0.093 0.000 2.511 190 H HA 0.353 4.909 4.556 -0.000 0.000 0.328 190 H C -1.328 174.019 175.328 0.031 0.000 1.044 190 H CA -0.928 55.196 56.048 0.126 0.000 1.212 190 H CB 1.403 31.289 29.762 0.206 0.000 1.428 190 H HN 0.278 nan 8.280 nan 0.000 0.483 191 V N 6.571 126.405 119.914 -0.134 0.000 2.444 191 V HA 0.135 4.255 4.120 -0.000 0.000 0.294 191 V C -0.308 175.553 176.094 -0.388 0.000 1.022 191 V CA -0.795 61.293 62.300 -0.353 0.000 0.850 191 V CB 1.656 33.273 31.823 -0.343 0.000 0.992 191 V HN 0.518 nan 8.190 nan 0.000 0.426 192 V N 4.696 124.362 119.914 -0.414 0.000 2.334 192 V HA 0.629 4.749 4.120 -0.000 0.000 0.267 192 V C -0.318 175.705 176.094 -0.119 0.000 1.040 192 V CA 0.133 62.300 62.300 -0.222 0.000 0.866 192 V CB 1.019 32.742 31.823 -0.166 0.000 1.019 192 V HN 0.967 nan 8.190 nan 0.000 0.468 193 D N 2.136 122.496 120.400 -0.068 0.000 2.755 193 D HA 0.216 4.856 4.640 -0.000 0.000 0.277 193 D C -1.800 174.511 176.300 0.018 0.000 1.261 193 D CA -0.519 53.486 54.000 0.009 0.000 0.759 193 D CB 2.383 43.194 40.800 0.019 0.000 1.279 193 D HN 0.384 nan 8.370 nan 0.000 0.420 194 D N 0.504 120.931 120.400 0.045 0.000 2.168 194 D HA 0.315 4.955 4.640 -0.000 0.000 0.246 194 D C -0.114 176.216 176.300 0.050 0.000 1.050 194 D CA -0.324 53.700 54.000 0.040 0.000 0.857 194 D CB 2.149 42.974 40.800 0.042 0.000 1.169 194 D HN -0.007 nan 8.370 nan 0.000 0.453 195 V N 3.225 123.163 119.914 0.040 0.000 2.470 195 V HA -0.003 4.117 4.120 -0.000 0.000 0.276 195 V C 1.310 177.437 176.094 0.056 0.000 1.040 195 V CA 0.329 62.660 62.300 0.052 0.000 1.008 195 V CB 1.148 32.988 31.823 0.028 0.000 0.990 195 V HN 0.493 nan 8.190 nan 0.000 0.477 196 Q N 2.606 122.460 119.800 0.089 0.000 2.396 196 Q HA 0.186 4.526 4.340 -0.000 0.000 0.220 196 Q C 0.512 176.583 176.000 0.119 0.000 0.900 196 Q CA 0.429 56.285 55.803 0.088 0.000 0.925 196 Q CB 0.808 29.602 28.738 0.093 0.000 1.065 196 Q HN 0.839 nan 8.270 nan 0.000 0.535 197 H N -0.618 118.449 119.070 -0.004 0.000 3.038 197 H HA 0.353 4.909 4.556 -0.000 0.000 0.362 197 H C -1.807 173.480 175.328 -0.069 0.000 1.167 197 H CA -0.588 55.410 56.048 -0.083 0.000 1.197 197 H CB 1.881 31.529 29.762 -0.190 0.000 1.840 197 H HN -0.167 nan 8.280 nan 0.000 0.540 198 V N 3.869 123.385 119.914 -0.664 0.000 2.347 198 V HA 0.358 4.478 4.120 -0.000 0.000 0.280 198 V C 0.956 176.549 176.094 -0.835 0.000 1.021 198 V CA -0.346 61.623 62.300 -0.552 0.000 0.847 198 V CB 1.133 32.744 31.823 -0.354 0.000 0.990 198 V HN 0.836 nan 8.190 nan 0.000 0.444 199 G N 3.932 112.427 108.800 -0.508 0.000 2.444 199 G HA2 0.539 4.499 3.960 -0.000 0.000 0.268 199 G HA3 0.539 4.499 3.960 -0.000 0.000 0.268 199 G C -0.641 174.154 174.900 -0.176 0.000 1.203 199 G CA -0.234 44.712 45.100 -0.257 0.000 0.835 199 G HN 0.656 nan 8.290 nan 0.000 0.543 200 Q N 0.190 119.938 119.800 -0.086 0.000 2.372 200 Q HA 0.279 4.619 4.340 -0.000 0.000 0.273 200 Q C -0.848 175.162 176.000 0.017 0.000 1.078 200 Q CA -0.964 54.814 55.803 -0.043 0.000 0.806 200 Q CB 2.433 31.144 28.738 -0.045 0.000 1.332 200 Q HN 0.784 nan 8.270 nan 0.000 0.435 201 D N 0.005 120.432 120.400 0.045 0.000 2.414 201 D HA -0.101 4.539 4.640 -0.000 0.000 0.259 201 D C 0.807 177.125 176.300 0.030 0.000 1.269 201 D CA -0.300 53.724 54.000 0.039 0.000 1.028 201 D CB 0.478 41.298 40.800 0.033 0.000 1.093 201 D HN 0.712 nan 8.370 nan 0.000 0.545 202 E N -0.613 119.592 120.200 0.009 0.000 2.267 202 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 202 E C 1.420 178.024 176.600 0.007 0.000 0.998 202 E CA 0.787 57.189 56.400 0.003 0.000 0.830 202 E CB 0.037 29.732 29.700 -0.010 0.000 0.751 202 E HN 0.377 nan 8.360 nan 0.000 0.491 203 R N -0.907 119.593 120.500 0.001 0.000 2.310 203 R HA 0.102 4.442 4.340 -0.000 0.000 0.202 203 R C 1.246 177.649 176.300 0.172 0.000 0.933 203 R CA 0.508 56.620 56.100 0.020 0.000 1.054 203 R CB 0.482 30.689 30.300 -0.154 0.000 0.985 203 R HN 0.366 nan 8.270 nan 0.000 0.489 204 G N 0.103 108.994 108.800 0.153 0.000 2.175 204 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 204 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 204 G C -0.374 174.633 174.900 0.178 0.000 0.982 204 G CA -0.298 44.885 45.100 0.138 0.000 0.641 204 G HN 0.170 nan 8.290 nan 0.000 0.527 205 W N 0.721 121.960 121.300 -0.102 0.000 2.170 205 W HA 0.658 5.318 4.660 -0.000 0.000 0.336 205 W C 1.138 177.570 176.519 -0.145 0.000 1.283 205 W CA -0.983 56.283 57.345 -0.132 0.000 1.224 205 W CB 0.235 29.599 29.460 -0.159 0.000 1.132 205 W HN 0.112 nan 8.180 nan 0.000 0.571 206 I N 3.161 123.683 120.570 -0.079 0.000 2.556 206 I HA -0.080 4.090 4.170 -0.000 0.000 0.284 206 I C 1.325 177.357 176.117 -0.142 0.000 1.114 206 I CA 0.468 61.590 61.300 -0.296 0.000 1.418 206 I CB 0.695 38.252 38.000 -0.738 0.000 1.394 206 I HN 0.544 nan 8.210 nan 0.000 0.552 207 S N 3.485 119.118 115.700 -0.112 0.000 2.497 207 S HA 0.429 4.899 4.470 -0.000 0.000 0.221 207 S C 0.627 175.320 174.600 0.155 0.000 1.037 207 S CA 0.153 58.405 58.200 0.086 0.000 0.920 207 S CB 0.804 64.056 63.200 0.086 0.000 0.800 207 S HN 0.856 nan 8.310 nan 0.000 0.505 208 G N 0.752 109.542 108.800 -0.016 0.000 2.368 208 G HA2 0.447 4.407 3.960 -0.000 0.000 0.293 208 G HA3 0.447 4.407 3.960 -0.000 0.000 0.293 208 G C -1.477 173.429 174.900 0.011 0.000 1.467 208 G CA -0.240 44.925 45.100 0.108 0.000 0.804 208 G HN 0.945 nan 8.290 nan 0.000 0.535 209 V N -1.587 118.391 119.914 0.106 0.000 2.435 209 V HA 0.788 4.907 4.120 -0.000 0.000 0.290 209 V C -0.718 175.474 176.094 0.163 0.000 1.030 209 V CA -1.156 61.213 62.300 0.115 0.000 0.881 209 V CB 1.159 33.028 31.823 0.077 0.000 0.983 209 V HN 0.711 nan 8.190 nan 0.000 0.445 210 H N 3.132 122.224 119.070 0.037 0.000 2.594 210 H HA 0.642 5.198 4.556 -0.000 0.000 0.304 210 H C 0.769 176.143 175.328 0.076 0.000 1.068 210 H CA 0.306 56.404 56.048 0.084 0.000 1.308 210 H CB 1.279 31.127 29.762 0.144 0.000 1.409 210 H HN 1.060 nan 8.280 nan 0.000 0.460 211 T N -0.382 114.260 114.554 0.147 0.000 2.927 211 T HA 0.265 4.615 4.350 -0.000 0.000 0.281 211 T C 1.347 176.123 174.700 0.127 0.000 0.998 211 T CA -1.070 61.108 62.100 0.129 0.000 1.019 211 T CB 1.670 70.612 68.868 0.123 0.000 1.061 211 T HN 0.462 nan 8.240 nan 0.000 0.518 212 K N -0.096 120.373 120.400 0.114 0.000 2.057 212 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 212 K C 1.699 178.341 176.600 0.070 0.000 1.049 212 K CA 1.372 57.711 56.287 0.087 0.000 0.931 212 K CB 0.040 32.584 32.500 0.073 0.000 0.714 212 K HN 0.555 nan 8.250 nan 0.000 0.440 213 Q N -1.217 118.641 119.800 0.097 0.000 2.164 213 Q HA 0.071 4.411 4.340 -0.000 0.000 0.226 213 Q C 0.160 176.053 176.000 -0.179 0.000 0.813 213 Q CA 0.391 56.175 55.803 -0.031 0.000 0.978 213 Q CB 0.994 29.686 28.738 -0.076 0.000 1.149 213 Q HN 0.405 nan 8.270 nan 0.000 0.489 214 H N -0.475 118.600 119.070 0.009 0.000 2.662 214 H HA 0.419 4.975 4.556 -0.000 0.000 0.268 214 H C 0.875 176.201 175.328 -0.004 0.000 1.152 214 H CA 0.394 56.443 56.048 0.003 0.000 1.072 214 H CB 0.912 30.675 29.762 0.002 0.000 1.660 214 H HN 0.324 nan 8.280 nan 0.000 0.584 215 G N 1.044 109.890 108.800 0.077 0.000 2.601 215 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.252 215 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.252 215 G C -0.090 174.790 174.900 -0.033 0.000 1.294 215 G CA -0.140 44.970 45.100 0.017 0.000 0.912 215 G HN 0.482 nan 8.290 nan 0.000 0.574 216 E N -0.254 119.862 120.200 -0.140 0.000 2.289 216 E HA 0.493 4.843 4.350 -0.000 0.000 0.278 216 E C 0.082 176.642 176.600 -0.066 0.000 1.032 216 E CA -0.504 55.747 56.400 -0.248 0.000 0.854 216 E CB 0.275 29.727 29.700 -0.413 0.000 1.046 216 E HN 0.433 nan 8.360 nan 0.000 0.409 217 I N 3.545 124.112 120.570 -0.006 0.000 2.362 217 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 217 I C -0.240 175.964 176.117 0.146 0.000 0.994 217 I CA -0.419 60.917 61.300 0.060 0.000 1.158 217 I CB 1.802 39.840 38.000 0.063 0.000 1.315 217 I HN 0.395 nan 8.210 nan 0.000 0.451 218 S N 3.108 118.882 115.700 0.122 0.000 2.638 218 S HA 0.967 5.437 4.470 -0.000 0.000 0.302 218 S C -0.068 174.545 174.600 0.021 0.000 1.096 218 S CA -0.687 57.627 58.200 0.189 0.000 0.953 218 S CB 2.345 65.637 63.200 0.154 0.000 1.107 218 S HN 0.907 nan 8.310 nan 0.000 0.503 219 G N 0.099 108.860 108.800 -0.065 0.000 2.441 219 G HA2 0.363 4.323 3.960 -0.000 0.000 0.294 219 G HA3 0.363 4.323 3.960 -0.000 0.000 0.294 219 G C -0.907 173.884 174.900 -0.183 0.000 1.393 219 G CA -0.584 44.388 45.100 -0.213 0.000 0.796 219 G HN 0.506 nan 8.290 nan 0.000 0.494 220 D N -1.079 119.279 120.400 -0.070 0.000 2.137 220 D HA 0.042 4.682 4.640 -0.000 0.000 0.202 220 D C 0.674 177.093 176.300 0.198 0.000 0.970 220 D CA 1.012 55.109 54.000 0.163 0.000 0.837 220 D CB 0.423 41.363 40.800 0.233 0.000 0.981 220 D HN 0.167 nan 8.370 nan 0.000 0.475 221 L N 0.105 121.297 121.223 -0.052 0.000 2.362 221 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 221 L C -1.596 175.056 176.870 -0.363 0.000 0.998 221 L CA -0.625 54.199 54.840 -0.027 0.000 0.820 221 L CB 1.587 43.628 42.059 -0.030 0.000 1.270 221 L HN -0.302 nan 8.230 nan 0.000 0.415 222 F N 4.572 124.482 119.950 -0.066 0.000 2.444 222 F HA 0.591 5.118 4.527 -0.000 0.000 0.342 222 F C -0.140 175.565 175.800 -0.157 0.000 1.121 222 F CA -0.779 57.164 58.000 -0.096 0.000 0.997 222 F CB 1.941 40.884 39.000 -0.095 0.000 1.130 222 F HN 0.093 nan 8.300 nan 0.000 0.454 223 V N 2.569 122.481 119.914 -0.003 0.000 2.370 223 V HA 0.189 4.309 4.120 -0.000 0.000 0.283 223 V C -0.464 175.605 176.094 -0.041 0.000 1.023 223 V CA -0.756 61.500 62.300 -0.073 0.000 0.857 223 V CB 1.399 33.161 31.823 -0.101 0.000 0.985 223 V HN 0.577 nan 8.190 nan 0.000 0.443 224 D N 4.026 124.395 120.400 -0.052 0.000 2.393 224 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 224 D C 0.005 176.270 176.300 -0.057 0.000 1.192 224 D CA -0.173 53.800 54.000 -0.044 0.000 0.882 224 D CB 0.866 41.642 40.800 -0.040 0.000 1.038 224 D HN 0.584 nan 8.370 nan 0.000 0.499 225 C N 3.336 122.593 119.300 -0.073 0.000 2.557 225 C HA 0.150 4.610 4.460 -0.000 0.000 0.281 225 C C 1.707 176.642 174.990 -0.091 0.000 1.490 225 C CA -0.337 58.628 59.018 -0.090 0.000 1.771 225 C CB -1.254 26.412 27.740 -0.122 0.000 2.887 225 C HN 0.707 nan 8.230 nan 0.000 0.527 226 T N -1.897 112.613 114.554 -0.073 0.000 3.219 226 T HA 0.441 4.791 4.350 -0.000 0.000 0.249 226 T C 1.129 175.778 174.700 -0.085 0.000 1.099 226 T CA 0.795 62.854 62.100 -0.067 0.000 0.988 226 T CB 0.037 68.877 68.868 -0.047 0.000 0.999 226 T HN 1.003 nan 8.240 nan 0.000 0.550 227 G N 1.377 110.099 108.800 -0.129 0.000 2.642 227 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 227 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 227 G C 0.147 174.959 174.900 -0.147 0.000 1.338 227 G CA -0.255 44.704 45.100 -0.236 0.000 0.883 227 G HN 0.138 nan 8.290 nan 0.000 0.570 228 F N 0.714 120.598 119.950 -0.110 0.000 2.214 228 F HA -0.134 4.393 4.527 -0.000 0.000 0.302 228 F C 2.836 178.544 175.800 -0.153 0.000 1.063 228 F CA 2.195 60.108 58.000 -0.145 0.000 1.319 228 F CB -0.440 38.473 39.000 -0.146 0.000 1.046 228 F HN 0.531 nan 8.300 nan 0.000 0.505 229 R N 0.676 121.220 120.500 0.074 0.000 2.096 229 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 229 R C 1.403 177.690 176.300 -0.022 0.000 1.127 229 R CA 0.952 57.058 56.100 0.009 0.000 0.968 229 R CB -0.703 29.599 30.300 0.002 0.000 0.861 229 R HN 0.330 nan 8.270 nan 0.000 0.440 230 G N 1.942 110.730 108.800 -0.020 0.000 2.395 230 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 230 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 230 G C 0.440 175.322 174.900 -0.031 0.000 0.953 230 G CA 0.565 45.652 45.100 -0.021 0.000 1.207 230 G HN 0.400 nan 8.290 nan 0.000 0.503 231 L N -0.102 121.099 121.223 -0.036 0.000 2.013 231 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 231 L C 2.689 179.522 176.870 -0.062 0.000 1.073 231 L CA 2.504 57.318 54.840 -0.044 0.000 0.753 231 L CB -0.270 41.764 42.059 -0.041 0.000 0.890 231 L HN 0.509 nan 8.230 nan 0.000 0.432 232 L N -1.744 119.439 121.223 -0.068 0.000 2.071 232 L HA -0.075 4.265 4.340 -0.000 0.000 0.201 232 L C 2.506 179.330 176.870 -0.078 0.000 1.076 232 L CA 1.063 55.846 54.840 -0.096 0.000 0.755 232 L CB -0.684 41.315 42.059 -0.100 0.000 0.915 232 L HN 0.251 nan 8.230 nan 0.000 0.445 233 I N 0.540 121.081 120.570 -0.047 0.000 2.252 233 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 233 I C 1.851 177.964 176.117 -0.006 0.000 1.102 233 I CA 1.837 63.123 61.300 -0.023 0.000 1.385 233 I CB -0.169 37.836 38.000 0.009 0.000 1.064 233 I HN 0.252 nan 8.210 nan 0.000 0.414 234 N N -0.993 117.705 118.700 -0.003 0.000 2.420 234 N HA -0.015 4.725 4.740 -0.000 0.000 0.185 234 N C 1.704 177.204 175.510 -0.018 0.000 1.033 234 N CA 0.626 53.678 53.050 0.002 0.000 0.879 234 N CB -0.095 38.394 38.487 0.003 0.000 1.071 234 N HN 0.302 nan 8.380 nan 0.000 0.437 235 Q N -0.030 119.751 119.800 -0.032 0.000 2.083 235 Q HA 0.016 4.356 4.340 -0.000 0.000 0.198 235 Q C 1.393 177.366 176.000 -0.045 0.000 0.969 235 Q CA 1.344 57.126 55.803 -0.035 0.000 0.838 235 Q CB 0.044 28.760 28.738 -0.036 0.000 0.900 235 Q HN 0.363 nan 8.270 nan 0.000 0.436 236 T N 1.102 115.616 114.554 -0.067 0.000 2.814 236 T HA 0.047 4.397 4.350 -0.000 0.000 0.254 236 T C 1.807 176.462 174.700 -0.075 0.000 1.037 236 T CA 0.627 62.673 62.100 -0.089 0.000 1.143 236 T CB -0.030 68.754 68.868 -0.141 0.000 0.866 236 T HN 0.102 nan 8.240 nan 0.000 0.431 237 L N 0.492 121.673 121.223 -0.071 0.000 2.509 237 L HA 0.294 4.634 4.340 -0.000 0.000 0.222 237 L C 1.863 178.715 176.870 -0.030 0.000 1.123 237 L CA 0.373 55.177 54.840 -0.060 0.000 0.856 237 L CB -0.386 41.627 42.059 -0.077 0.000 0.985 237 L HN 0.546 nan 8.230 nan 0.000 0.456 238 G N 0.432 109.221 108.800 -0.018 0.000 2.160 238 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.251 238 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.251 238 G C 0.626 175.534 174.900 0.014 0.000 1.008 238 G CA -0.087 45.012 45.100 -0.001 0.000 0.724 238 G HN 0.513 nan 8.290 nan 0.000 0.514 239 G N -0.430 108.381 108.800 0.018 0.000 2.321 239 G HA2 0.367 4.327 3.960 -0.000 0.000 0.237 239 G HA3 0.367 4.327 3.960 -0.000 0.000 0.237 239 G C 0.387 175.326 174.900 0.065 0.000 1.282 239 G CA -0.092 45.032 45.100 0.039 0.000 0.886 239 G HN 0.625 nan 8.290 nan 0.000 0.528 240 R N 0.655 121.191 120.500 0.059 0.000 2.340 240 R HA 0.274 4.613 4.340 -0.000 0.000 0.300 240 R C -0.731 175.634 176.300 0.109 0.000 1.069 240 R CA -0.379 55.765 56.100 0.074 0.000 0.984 240 R CB 0.818 31.141 30.300 0.038 0.000 1.003 240 R HN 0.464 nan 8.270 nan 0.000 0.459 241 F N 2.372 122.312 119.950 -0.016 0.000 2.420 241 F HA 0.182 4.709 4.527 -0.000 0.000 0.342 241 F C -0.126 175.651 175.800 -0.037 0.000 1.113 241 F CA -0.349 57.631 58.000 -0.033 0.000 1.059 241 F CB 1.407 40.384 39.000 -0.038 0.000 1.128 241 F HN 0.326 nan 8.300 nan 0.000 0.475 242 Q N 5.175 124.608 119.800 -0.613 0.000 2.398 242 Q HA 0.250 4.590 4.340 -0.000 0.000 0.251 242 Q C -0.663 175.021 176.000 -0.527 0.000 0.999 242 Q CA -0.474 55.118 55.803 -0.351 0.000 0.874 242 Q CB 1.264 29.876 28.738 -0.210 0.000 1.215 242 Q HN 0.722 nan 8.270 nan 0.000 0.470 243 S N 3.301 118.938 115.700 -0.105 0.000 2.564 243 S HA 0.193 4.663 4.470 -0.000 0.000 0.278 243 S C 0.129 174.810 174.600 0.134 0.000 1.333 243 S CA -0.369 57.834 58.200 0.005 0.000 1.048 243 S CB 0.264 63.542 63.200 0.130 0.000 0.900 243 S HN 0.606 nan 8.310 nan 0.000 0.505 244 F N 2.513 122.489 119.950 0.043 0.000 2.664 244 F HA 0.270 4.797 4.527 -0.000 0.000 0.303 244 F C 2.246 178.063 175.800 0.029 0.000 1.092 244 F CA -0.545 57.469 58.000 0.022 0.000 1.305 244 F CB -1.274 37.740 39.000 0.023 0.000 1.054 244 F HN 0.496 nan 8.300 nan 0.000 0.565 245 S N 0.716 116.536 115.700 0.199 0.000 2.407 245 S HA -0.245 4.225 4.470 -0.000 0.000 0.235 245 S C 1.847 176.498 174.600 0.084 0.000 1.036 245 S CA 1.860 60.130 58.200 0.117 0.000 1.013 245 S CB -0.376 62.872 63.200 0.080 0.000 0.820 245 S HN 0.568 nan 8.310 nan 0.000 0.476 246 D N 1.332 121.785 120.400 0.087 0.000 2.218 246 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 246 D C 1.737 178.055 176.300 0.029 0.000 0.976 246 D CA 1.453 55.484 54.000 0.052 0.000 0.853 246 D CB -0.504 40.328 40.800 0.052 0.000 0.939 246 D HN 0.545 nan 8.370 nan 0.000 0.481 247 V N -3.137 116.798 119.914 0.036 0.000 3.570 247 V HA 0.352 4.472 4.120 -0.000 0.000 0.257 247 V C 0.737 176.814 176.094 -0.028 0.000 1.272 247 V CA -0.287 62.011 62.300 -0.004 0.000 1.079 247 V CB -0.048 31.761 31.823 -0.025 0.000 0.829 247 V HN 0.032 nan 8.190 nan 0.000 0.454 248 L N 2.402 123.635 121.223 0.017 0.000 2.490 248 L HA 0.483 4.823 4.340 -0.000 0.000 0.256 248 L C -1.931 174.954 176.870 0.025 0.000 1.089 248 L CA -1.131 53.705 54.840 -0.007 0.000 0.916 248 L CB 2.419 44.538 42.059 0.100 0.000 1.188 248 L HN 0.004 nan 8.230 nan 0.000 0.476 249 P HA -0.049 nan 4.420 nan 0.000 0.225 249 P C -0.003 177.337 177.300 0.066 0.000 1.156 249 P CA 0.303 63.425 63.100 0.038 0.000 0.787 249 P CB 0.071 31.806 31.700 0.059 0.000 0.802 250 N N 2.794 121.542 118.700 0.079 0.000 2.294 250 N HA -0.083 4.657 4.740 -0.000 0.000 0.263 250 N C 0.980 176.499 175.510 0.016 0.000 1.281 250 N CA 0.702 53.797 53.050 0.076 0.000 0.846 250 N CB -0.226 38.369 38.487 0.180 0.000 1.061 250 N HN 0.373 nan 8.380 nan 0.000 0.478 251 N N 0.887 119.523 118.700 -0.106 0.000 2.082 251 N HA 0.081 4.821 4.740 -0.000 0.000 0.228 251 N C -0.323 175.055 175.510 -0.221 0.000 1.341 251 N CA -0.029 52.949 53.050 -0.121 0.000 0.873 251 N CB 0.956 39.386 38.487 -0.096 0.000 1.137 251 N HN 0.331 nan 8.380 nan 0.000 0.505 252 R N -0.315 119.927 120.500 -0.429 0.000 2.799 252 R HA 0.843 5.183 4.340 -0.000 0.000 0.270 252 R C -1.550 174.453 176.300 -0.495 0.000 1.010 252 R CA -0.808 54.988 56.100 -0.506 0.000 0.916 252 R CB 2.233 32.096 30.300 -0.729 0.000 1.228 252 R HN 0.134 nan 8.270 nan 0.000 0.469 253 A N 0.834 123.577 122.820 -0.129 0.000 2.475 253 A HA 0.708 5.028 4.320 -0.000 0.000 0.301 253 A C -1.624 176.015 177.584 0.090 0.000 1.059 253 A CA -0.677 51.394 52.037 0.056 0.000 0.710 253 A CB 2.252 21.375 19.000 0.205 0.000 1.288 253 A HN 0.363 nan 8.150 nan 0.000 0.408 254 V N 0.944 120.851 119.914 -0.012 0.000 2.588 254 V HA 0.838 4.958 4.120 -0.000 0.000 0.304 254 V C -0.225 175.710 176.094 -0.264 0.000 1.042 254 V CA 0.194 62.340 62.300 -0.257 0.000 0.877 254 V CB 1.471 32.996 31.823 -0.497 0.000 0.996 254 V HN 1.905 nan 8.190 nan 0.000 0.425 255 A N 6.854 129.548 122.820 -0.210 0.000 2.374 255 A HA 0.938 5.258 4.320 -0.000 0.000 0.317 255 A C -1.422 176.091 177.584 -0.119 0.000 1.094 255 A CA -0.694 51.231 52.037 -0.188 0.000 0.765 255 A CB 1.614 20.645 19.000 0.052 0.000 1.268 255 A HN 0.881 nan 8.150 nan 0.000 0.438 256 L N 1.410 122.557 121.223 -0.126 0.000 2.381 256 L HA 0.569 4.909 4.340 -0.000 0.000 0.268 256 L C -0.175 176.686 176.870 -0.016 0.000 0.997 256 L CA -0.667 54.134 54.840 -0.065 0.000 0.818 256 L CB 2.301 44.307 42.059 -0.089 0.000 1.310 256 L HN 0.795 nan 8.230 nan 0.000 0.416 257 R N 2.364 122.873 120.500 0.015 0.000 2.215 257 R HA 0.453 4.793 4.340 -0.000 0.000 0.336 257 R C -1.151 175.155 176.300 0.010 0.000 0.996 257 R CA -0.601 55.520 56.100 0.035 0.000 0.847 257 R CB 1.480 31.815 30.300 0.058 0.000 1.127 257 R HN 0.244 nan 8.270 nan 0.000 0.465 258 V N 5.633 125.546 119.914 -0.001 0.000 2.311 258 V HA 0.233 4.352 4.120 -0.000 0.000 0.275 258 V C -2.025 174.058 176.094 -0.017 0.000 1.022 258 V CA -2.308 59.981 62.300 -0.018 0.000 0.830 258 V CB 1.138 32.938 31.823 -0.037 0.000 1.012 258 V HN 0.573 nan 8.190 nan 0.000 0.452 259 P HA 0.189 nan 4.420 nan 0.000 0.269 259 P C -0.311 176.961 177.300 -0.046 0.000 1.209 259 P CA -0.260 62.826 63.100 -0.023 0.000 0.776 259 P CB 0.595 32.283 31.700 -0.019 0.000 0.876 260 R N 2.235 122.696 120.500 -0.065 0.000 2.221 260 R HA 0.101 4.441 4.340 -0.000 0.000 0.327 260 R C 1.224 177.459 176.300 -0.109 0.000 1.033 260 R CA -0.163 55.882 56.100 -0.092 0.000 0.887 260 R CB 0.282 30.514 30.300 -0.114 0.000 1.057 260 R HN 0.519 nan 8.270 nan 0.000 0.455 261 E N 2.096 122.237 120.200 -0.099 0.000 2.076 261 E HA -0.115 4.234 4.350 -0.000 0.000 0.190 261 E C -0.067 176.453 176.600 -0.133 0.000 0.979 261 E CA 0.645 56.986 56.400 -0.098 0.000 0.807 261 E CB 0.251 29.906 29.700 -0.076 0.000 0.761 261 E HN 0.381 nan 8.360 nan 0.000 0.454 262 N N 1.320 119.932 118.700 -0.146 0.000 2.485 262 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 262 N C -0.200 175.147 175.510 -0.271 0.000 0.987 262 N CA -0.045 52.897 53.050 -0.179 0.000 0.940 262 N CB 1.057 39.464 38.487 -0.133 0.000 1.122 262 N HN -0.031 nan 8.380 nan 0.000 0.509 263 D N 1.711 121.856 120.400 -0.425 0.000 2.149 263 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 263 D C 0.632 176.574 176.300 -0.596 0.000 1.001 263 D CA 1.400 54.924 54.000 -0.794 0.000 0.849 263 D CB 0.415 40.281 40.800 -1.557 0.000 0.939 263 D HN 0.633 nan 8.370 nan 0.000 0.449 264 E N 0.639 120.619 120.200 -0.367 0.000 2.511 264 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 264 E C 0.830 177.368 176.600 -0.103 0.000 1.066 264 E CA 0.169 56.468 56.400 -0.168 0.000 0.871 264 E CB -0.008 29.630 29.700 -0.104 0.000 0.863 264 E HN 0.300 nan 8.360 nan 0.000 0.520 265 D N 0.334 120.657 120.400 -0.130 0.000 2.371 265 D HA -0.061 4.579 4.640 -0.000 0.000 0.221 265 D C 0.766 177.015 176.300 -0.086 0.000 0.986 265 D CA 0.291 54.233 54.000 -0.095 0.000 0.899 265 D CB -0.106 40.633 40.800 -0.102 0.000 0.902 265 D HN 0.198 nan 8.370 nan 0.000 0.530 266 M N 1.173 120.734 119.600 -0.065 0.000 2.268 266 M HA 0.046 4.526 4.480 -0.000 0.000 0.349 266 M C -0.224 176.052 176.300 -0.041 0.000 1.485 266 M CA 0.207 55.492 55.300 -0.026 0.000 1.094 266 M CB 0.358 33.012 32.600 0.090 0.000 1.843 266 M HN -0.318 nan 8.290 nan 0.000 0.460 267 R N 6.589 126.998 120.500 -0.151 0.000 2.312 267 R HA 0.381 4.721 4.340 -0.000 0.000 0.311 267 R C -2.086 174.068 176.300 -0.244 0.000 1.004 267 R CA -1.571 54.335 56.100 -0.325 0.000 0.902 267 R CB 0.791 30.640 30.300 -0.751 0.000 1.073 267 R HN 0.446 nan 8.270 nan 0.000 0.457 268 P HA 0.063 nan 4.420 nan 0.000 0.220 268 P C -1.672 175.800 177.300 0.288 0.000 1.793 268 P CA 0.055 63.243 63.100 0.147 0.000 0.917 268 P CB -0.155 31.616 31.700 0.119 0.000 1.755 269 Y N -4.407 116.052 120.300 0.266 0.000 2.662 269 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 269 Y C -0.727 175.329 175.900 0.259 0.000 1.185 269 Y CA -1.306 56.953 58.100 0.265 0.000 1.074 269 Y CB -0.012 38.531 38.460 0.138 0.000 1.330 269 Y HN -0.364 nan 8.280 nan 0.000 0.458 270 T N 1.924 116.756 114.554 0.463 0.000 2.909 270 T HA 0.538 4.888 4.350 -0.000 0.000 0.289 270 T C -0.475 174.364 174.700 0.232 0.000 1.005 270 T CA -0.241 62.022 62.100 0.271 0.000 1.084 270 T CB 1.027 70.070 68.868 0.293 0.000 0.975 270 T HN 0.678 nan 8.240 nan 0.000 0.509 271 T N 2.247 116.893 114.554 0.154 0.000 2.829 271 T HA 0.653 5.003 4.350 -0.000 0.000 0.280 271 T C -0.488 174.272 174.700 0.100 0.000 0.999 271 T CA -0.683 61.470 62.100 0.089 0.000 0.983 271 T CB 1.393 70.316 68.868 0.092 0.000 0.968 271 T HN 0.679 nan 8.240 nan 0.000 0.446 272 A N 2.675 125.459 122.820 -0.059 0.000 2.323 272 A HA 0.646 4.966 4.320 -0.000 0.000 0.305 272 A C 0.017 177.841 177.584 0.399 0.000 1.275 272 A CA -0.727 51.419 52.037 0.182 0.000 0.804 272 A CB 0.493 19.275 19.000 -0.364 0.000 1.152 272 A HN 0.692 nan 8.150 nan 0.000 0.487 273 T N 2.442 117.235 114.554 0.397 0.000 2.756 273 T HA 0.562 4.912 4.350 -0.000 0.000 0.290 273 T C 0.462 175.185 174.700 0.037 0.000 0.985 273 T CA 0.027 62.230 62.100 0.172 0.000 0.955 273 T CB 1.297 70.188 68.868 0.039 0.000 0.930 273 T HN 1.018 nan 8.240 nan 0.000 0.451 274 A N 5.675 128.265 122.820 -0.383 0.000 2.488 274 A HA 0.572 4.892 4.320 -0.000 0.000 0.249 274 A C 0.443 177.911 177.584 -0.194 0.000 1.083 274 A CA -0.220 51.476 52.037 -0.568 0.000 0.768 274 A CB 0.015 18.244 19.000 -1.284 0.000 1.017 274 A HN 0.720 nan 8.150 nan 0.000 0.496 275 M N 1.500 121.105 119.600 0.007 0.000 2.653 275 M HA 0.266 4.745 4.480 -0.000 0.000 0.262 275 M C 1.817 178.229 176.300 0.186 0.000 1.002 275 M CA 0.145 55.396 55.300 -0.082 0.000 1.084 275 M CB 0.456 32.760 32.600 -0.494 0.000 1.511 275 M HN 0.902 nan 8.290 nan 0.000 0.612 276 S N 0.056 115.825 115.700 0.114 0.000 2.414 276 S HA 0.135 4.605 4.470 -0.000 0.000 0.227 276 S C 0.926 175.594 174.600 0.113 0.000 1.022 276 S CA 0.814 59.138 58.200 0.205 0.000 0.958 276 S CB -0.107 63.164 63.200 0.118 0.000 0.797 276 S HN 0.716 nan 8.310 nan 0.000 0.493 277 A N -0.223 122.542 122.820 -0.092 0.000 2.843 277 A HA 0.747 5.067 4.320 -0.000 0.000 0.248 277 A C 0.555 177.443 177.584 -1.160 0.000 0.904 277 A CA -0.088 51.510 52.037 -0.733 0.000 1.091 277 A CB -0.085 18.778 19.000 -0.229 0.000 1.208 277 A HN 1.209 nan 8.150 nan 0.000 0.476 278 G N -0.577 107.726 108.800 -0.828 0.000 2.441 278 G HA2 0.364 4.324 3.960 -0.000 0.000 0.222 278 G HA3 0.364 4.324 3.960 -0.000 0.000 0.222 278 G C -1.275 173.858 174.900 0.388 0.000 1.254 278 G CA 0.100 45.106 45.100 -0.157 0.000 0.959 278 G HN 1.279 nan 8.290 nan 0.000 0.474 279 W N -0.951 120.553 121.300 0.341 0.000 3.025 279 W HA 0.783 5.443 4.660 -0.000 0.000 0.343 279 W C -1.404 175.255 176.519 0.235 0.000 1.246 279 W CA -1.427 56.036 57.345 0.197 0.000 1.178 279 W CB 1.230 30.863 29.460 0.287 0.000 1.463 279 W HN 0.843 nan 8.180 nan 0.000 0.578 280 M N 2.863 122.567 119.600 0.173 0.000 2.393 280 M HA 0.478 4.957 4.480 -0.000 0.000 0.316 280 M C -1.408 175.036 176.300 0.240 0.000 1.087 280 M CA -0.508 54.727 55.300 -0.108 0.000 0.937 280 M CB 2.424 34.867 32.600 -0.261 0.000 1.668 280 M HN 0.534 nan 8.290 nan 0.000 0.438 281 W N 3.438 124.753 121.300 0.024 0.000 2.448 281 W HA 0.759 5.418 4.660 -0.000 0.000 0.339 281 W C -1.700 174.866 176.519 0.077 0.000 1.124 281 W CA -0.580 56.893 57.345 0.213 0.000 1.262 281 W CB 0.578 30.179 29.460 0.235 0.000 1.251 281 W HN 0.549 nan 8.180 nan 0.000 0.597 282 T N 4.832 119.615 114.554 0.381 0.000 2.847 282 T HA 0.478 4.828 4.350 -0.000 0.000 0.291 282 T C -0.719 174.097 174.700 0.193 0.000 0.998 282 T CA -0.442 61.785 62.100 0.211 0.000 0.967 282 T CB 0.454 69.348 68.868 0.045 0.000 0.954 282 T HN 0.389 nan 8.240 nan 0.000 0.441 283 I N 5.380 126.074 120.570 0.206 0.000 2.390 283 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 283 I C -2.462 173.537 176.117 -0.195 0.000 1.016 283 I CA -2.543 58.699 61.300 -0.098 0.000 1.151 283 I CB 2.017 40.027 38.000 0.017 0.000 1.293 283 I HN 0.257 nan 8.210 nan 0.000 0.458 284 P HA 0.233 nan 4.420 nan 0.000 0.274 284 P C -0.381 176.889 177.300 -0.050 0.000 1.291 284 P CA 0.113 63.096 63.100 -0.196 0.000 0.815 284 P CB 0.377 31.954 31.700 -0.204 0.000 0.897 285 L N 2.604 123.856 121.223 0.048 0.000 2.488 285 L HA 0.342 4.682 4.340 -0.000 0.000 0.249 285 L C 1.768 178.753 176.870 0.191 0.000 1.151 285 L CA -0.639 54.290 54.840 0.148 0.000 0.806 285 L CB 0.133 42.288 42.059 0.160 0.000 1.261 285 L HN 0.272 nan 8.230 nan 0.000 0.484 286 F N 0.051 120.041 119.950 0.067 0.000 2.171 286 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 286 F C 1.979 177.859 175.800 0.134 0.000 1.090 286 F CA 1.509 59.558 58.000 0.082 0.000 1.293 286 F CB 0.285 39.299 39.000 0.023 0.000 1.013 286 F HN 0.302 nan 8.300 nan 0.000 0.486 287 K N 0.275 120.695 120.400 0.033 0.000 2.440 287 K HA 0.173 4.493 4.320 -0.000 0.000 0.207 287 K C -0.396 176.188 176.600 -0.028 0.000 1.112 287 K CA 0.057 56.303 56.287 -0.070 0.000 1.036 287 K CB 0.699 33.194 32.500 -0.009 0.000 0.935 287 K HN 0.352 nan 8.250 nan 0.000 0.564 288 R N 0.037 120.547 120.500 0.017 0.000 2.707 288 R HA 0.430 4.770 4.340 -0.000 0.000 0.272 288 R C -1.561 174.751 176.300 0.020 0.000 1.011 288 R CA -0.710 55.399 56.100 0.014 0.000 0.893 288 R CB 1.119 31.443 30.300 0.040 0.000 1.233 288 R HN -0.307 nan 8.270 nan 0.000 0.464 289 D N 1.113 121.514 120.400 0.002 0.000 2.193 289 D HA 0.324 4.964 4.640 -0.000 0.000 0.244 289 D C -0.191 176.137 176.300 0.046 0.000 1.064 289 D CA -0.031 53.972 54.000 0.005 0.000 0.845 289 D CB 1.966 42.747 40.800 -0.031 0.000 1.148 289 D HN 0.693 nan 8.370 nan 0.000 0.464 290 G N 2.043 110.913 108.800 0.116 0.000 2.356 290 G HA2 0.320 4.280 3.960 -0.000 0.000 0.298 290 G HA3 0.320 4.280 3.960 -0.000 0.000 0.298 290 G C -0.079 174.929 174.900 0.179 0.000 1.145 290 G CA -0.530 44.695 45.100 0.208 0.000 0.850 290 G HN 0.346 nan 8.290 nan 0.000 0.487 291 N N 0.366 119.022 118.700 -0.074 0.000 2.258 291 N HA 0.622 5.361 4.740 -0.000 0.000 0.299 291 N C -0.466 174.471 175.510 -0.955 0.000 1.047 291 N CA -0.376 52.399 53.050 -0.459 0.000 0.814 291 N CB 2.529 40.843 38.487 -0.289 0.000 1.413 291 N HN 0.696 nan 8.380 nan 0.000 0.478 292 G N 0.769 108.418 108.800 -1.918 0.000 2.701 292 G HA2 0.346 4.306 3.960 -0.000 0.000 0.300 292 G HA3 0.346 4.306 3.960 -0.000 0.000 0.300 292 G C -2.005 172.207 174.900 -1.147 0.000 1.410 292 G CA -0.246 43.619 45.100 -2.057 0.000 1.014 292 G HN 0.351 nan 8.290 nan 0.000 0.509 293 Y N 3.159 123.025 120.300 -0.722 0.000 2.369 293 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 293 Y C -0.592 175.170 175.900 -0.229 0.000 0.961 293 Y CA -1.606 56.237 58.100 -0.428 0.000 1.186 293 Y CB 1.405 39.687 38.460 -0.297 0.000 1.139 293 Y HN 0.290 nan 8.280 nan 0.000 0.494 294 V N 9.365 129.218 119.914 -0.103 0.000 2.407 294 V HA 0.378 4.498 4.120 -0.000 0.000 0.278 294 V C -0.800 175.259 176.094 -0.057 0.000 1.037 294 V CA -0.388 61.818 62.300 -0.156 0.000 0.900 294 V CB 0.432 32.022 31.823 -0.387 0.000 0.983 294 V HN 0.691 nan 8.190 nan 0.000 0.459 295 Y N 1.921 122.078 120.300 -0.239 0.000 2.670 295 Y HA 0.738 5.288 4.550 -0.000 0.000 0.334 295 Y C -0.432 175.409 175.900 -0.098 0.000 1.185 295 Y CA -1.204 56.717 58.100 -0.299 0.000 1.053 295 Y CB 1.723 39.766 38.460 -0.695 0.000 1.298 295 Y HN 0.392 nan 8.280 nan 0.000 0.459 296 S N 0.924 116.676 115.700 0.086 0.000 2.429 296 S HA 0.203 4.673 4.470 -0.000 0.000 0.302 296 S C 0.129 174.873 174.600 0.239 0.000 1.115 296 S CA -0.265 58.023 58.200 0.146 0.000 1.095 296 S CB 0.295 63.738 63.200 0.404 0.000 0.987 296 S HN 0.794 nan 8.310 nan 0.000 0.474 297 D N 3.245 123.699 120.400 0.091 0.000 2.378 297 D HA -0.113 4.527 4.640 -0.000 0.000 0.227 297 D C 1.140 177.485 176.300 0.075 0.000 1.012 297 D CA 0.527 54.623 54.000 0.160 0.000 0.905 297 D CB -0.122 40.736 40.800 0.095 0.000 0.895 297 D HN 0.768 nan 8.370 nan 0.000 0.532 298 E N -0.858 119.368 120.200 0.042 0.000 2.204 298 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 298 E C 0.650 177.063 176.600 -0.311 0.000 0.989 298 E CA 0.694 56.992 56.400 -0.170 0.000 0.824 298 E CB -0.036 29.494 29.700 -0.284 0.000 0.756 298 E HN 0.377 nan 8.360 nan 0.000 0.477 299 F N -0.248 119.751 119.950 0.082 0.000 2.717 299 F HA 0.383 4.910 4.527 -0.000 0.000 0.297 299 F C 0.717 176.537 175.800 0.035 0.000 1.113 299 F CA 0.059 58.106 58.000 0.078 0.000 1.319 299 F CB 1.112 40.205 39.000 0.155 0.000 1.097 299 F HN -0.116 nan 8.300 nan 0.000 0.595 300 I N -0.312 120.357 120.570 0.165 0.000 2.787 300 I HA 0.226 4.396 4.170 -0.000 0.000 0.294 300 I C -0.559 175.562 176.117 0.008 0.000 1.365 300 I CA -0.747 60.573 61.300 0.033 0.000 1.029 300 I CB 1.584 39.535 38.000 -0.082 0.000 1.313 300 I HN -0.082 nan 8.210 nan 0.000 0.431 301 S N 5.871 121.546 115.700 -0.043 0.000 2.617 301 S HA 0.488 4.958 4.470 -0.000 0.000 0.269 301 S C -2.128 172.417 174.600 -0.092 0.000 1.292 301 S CA -0.950 57.240 58.200 -0.017 0.000 1.010 301 S CB 1.347 64.533 63.200 -0.024 0.000 0.944 301 S HN 0.482 nan 8.310 nan 0.000 0.536 302 P HA -0.120 nan 4.420 nan 0.000 0.216 302 P C 0.922 178.218 177.300 -0.006 0.000 1.150 302 P CA 1.384 64.522 63.100 0.064 0.000 0.843 302 P CB 0.008 31.760 31.700 0.086 0.000 0.787 303 E N -0.252 119.922 120.200 -0.042 0.000 2.047 303 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 303 E C 1.994 178.563 176.600 -0.051 0.000 0.987 303 E CA 1.123 57.503 56.400 -0.033 0.000 0.799 303 E CB -0.848 28.829 29.700 -0.039 0.000 0.752 303 E HN 0.368 nan 8.360 nan 0.000 0.449 304 E N 0.475 120.627 120.200 -0.081 0.000 2.085 304 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 304 E C 1.992 178.517 176.600 -0.126 0.000 0.994 304 E CA 1.180 57.529 56.400 -0.085 0.000 0.801 304 E CB -0.187 29.467 29.700 -0.077 0.000 0.743 304 E HN 0.294 nan 8.360 nan 0.000 0.453 305 A N 1.074 123.717 122.820 -0.295 0.000 1.898 305 A HA -0.256 4.063 4.320 -0.000 0.000 0.216 305 A C 2.076 179.574 177.584 -0.143 0.000 1.181 305 A CA 1.595 53.369 52.037 -0.439 0.000 0.620 305 A CB -0.439 17.736 19.000 -1.375 0.000 0.819 305 A HN 0.260 nan 8.150 nan 0.000 0.442 306 E N -0.218 119.926 120.200 -0.094 0.000 2.058 306 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 306 E C 2.288 178.876 176.600 -0.021 0.000 0.997 306 E CA 1.208 57.593 56.400 -0.026 0.000 0.801 306 E CB -0.110 29.635 29.700 0.076 0.000 0.746 306 E HN 0.588 nan 8.360 nan 0.000 0.450 307 R N 0.266 120.754 120.500 -0.020 0.000 2.081 307 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 307 R C 2.492 178.776 176.300 -0.027 0.000 1.131 307 R CA 1.555 57.642 56.100 -0.021 0.000 0.960 307 R CB -0.312 29.977 30.300 -0.019 0.000 0.856 307 R HN 0.318 nan 8.270 nan 0.000 0.436 308 E N 0.802 120.995 120.200 -0.012 0.000 2.106 308 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 308 E C 1.929 178.475 176.600 -0.091 0.000 0.984 308 E CA 0.746 57.129 56.400 -0.030 0.000 0.806 308 E CB 0.068 29.786 29.700 0.031 0.000 0.750 308 E HN 0.100 nan 8.360 nan 0.000 0.458 309 L N 1.404 122.596 121.223 -0.052 0.000 2.005 309 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 309 L C 2.252 179.054 176.870 -0.113 0.000 1.072 309 L CA 1.746 56.514 54.840 -0.119 0.000 0.744 309 L CB -0.575 41.441 42.059 -0.073 0.000 0.895 309 L HN -0.007 nan 8.230 nan 0.000 0.433 310 R N -0.645 119.808 120.500 -0.078 0.000 2.096 310 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 310 R C 2.277 178.538 176.300 -0.066 0.000 1.139 310 R CA 1.802 57.863 56.100 -0.065 0.000 0.952 310 R CB -0.734 29.540 30.300 -0.043 0.000 0.854 310 R HN 0.429 nan 8.270 nan 0.000 0.436 311 S N -0.284 115.378 115.700 -0.063 0.000 2.383 311 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 311 S C 1.858 176.414 174.600 -0.073 0.000 1.030 311 S CA 1.851 60.014 58.200 -0.060 0.000 1.002 311 S CB -0.155 63.011 63.200 -0.056 0.000 0.829 311 S HN 0.439 nan 8.310 nan 0.000 0.467 312 T N 0.891 115.386 114.554 -0.099 0.000 2.894 312 T HA 0.035 4.385 4.350 -0.000 0.000 0.258 312 T C 1.881 176.520 174.700 -0.102 0.000 1.043 312 T CA 1.339 63.371 62.100 -0.112 0.000 1.141 312 T CB 0.029 68.800 68.868 -0.162 0.000 0.873 312 T HN 0.459 nan 8.240 nan 0.000 0.449 313 V N -2.527 117.324 119.914 -0.104 0.000 3.572 313 V HA 0.795 4.915 4.120 -0.000 0.000 0.260 313 V C 0.700 176.749 176.094 -0.076 0.000 1.324 313 V CA 0.131 62.374 62.300 -0.095 0.000 1.068 313 V CB 0.170 31.924 31.823 -0.115 0.000 0.837 313 V HN 0.270 nan 8.190 nan 0.000 0.450 314 A N 1.867 124.644 122.820 -0.070 0.000 3.409 314 A HA 0.681 5.001 4.320 -0.000 0.000 0.282 314 A C -2.957 174.599 177.584 -0.046 0.000 1.064 314 A CA -0.935 51.069 52.037 -0.055 0.000 0.889 314 A CB 0.099 19.068 19.000 -0.052 0.000 1.251 314 A HN 0.349 nan 8.150 nan 0.000 0.538 315 P HA 0.302 nan 4.420 nan 0.000 0.267 315 P C 1.098 178.380 177.300 -0.029 0.000 1.205 315 P CA 1.844 64.922 63.100 -0.037 0.000 0.765 315 P CB 1.044 32.722 31.700 -0.036 0.000 0.828 316 G N 3.400 112.185 108.800 -0.025 0.000 2.184 316 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 316 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 316 G C 0.563 175.452 174.900 -0.018 0.000 0.975 316 G CA -0.299 44.789 45.100 -0.020 0.000 0.642 316 G HN 0.555 nan 8.290 nan 0.000 0.536 317 R N 1.180 121.667 120.500 -0.022 0.000 4.496 317 R HA 0.194 4.534 4.340 -0.000 0.000 0.211 317 R C 0.462 176.753 176.300 -0.014 0.000 1.738 317 R CA -0.190 55.899 56.100 -0.019 0.000 1.528 317 R CB -0.104 30.181 30.300 -0.024 0.000 1.414 317 R HN 0.359 nan 8.270 nan 0.000 0.812 318 D N 1.024 121.418 120.400 -0.010 0.000 2.378 318 D HA -0.117 4.523 4.640 -0.000 0.000 0.227 318 D C 1.071 177.370 176.300 -0.001 0.000 1.012 318 D CA 0.658 54.655 54.000 -0.005 0.000 0.905 318 D CB 0.347 41.145 40.800 -0.003 0.000 0.895 318 D HN 0.456 nan 8.370 nan 0.000 0.532 319 D N 0.565 120.964 120.400 -0.003 0.000 2.218 319 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 319 D C 0.984 177.286 176.300 0.003 0.000 0.976 319 D CA 0.333 54.334 54.000 0.001 0.000 0.853 319 D CB -0.172 40.627 40.800 -0.001 0.000 0.939 319 D HN 0.238 nan 8.370 nan 0.000 0.481 320 L N 1.260 122.483 121.223 -0.001 0.000 2.313 320 L HA 0.215 4.555 4.340 -0.000 0.000 0.282 320 L C 0.610 177.483 176.870 0.006 0.000 1.092 320 L CA -0.433 54.407 54.840 0.001 0.000 0.831 320 L CB 1.039 43.092 42.059 -0.009 0.000 1.159 320 L HN -0.076 nan 8.230 nan 0.000 0.442 321 E N 2.358 122.567 120.200 0.015 0.000 2.338 321 E HA 0.419 4.768 4.350 -0.000 0.000 0.272 321 E C -0.508 176.105 176.600 0.021 0.000 1.029 321 E CA -0.544 55.872 56.400 0.026 0.000 0.872 321 E CB 1.198 30.919 29.700 0.035 0.000 1.015 321 E HN 0.670 nan 8.360 nan 0.000 0.417 322 A N 4.441 127.280 122.820 0.030 0.000 2.309 322 A HA 0.265 4.584 4.320 -0.000 0.000 0.298 322 A C -0.350 177.253 177.584 0.031 0.000 1.165 322 A CA -0.637 51.398 52.037 -0.004 0.000 0.821 322 A CB 0.679 19.673 19.000 -0.011 0.000 1.102 322 A HN 0.639 nan 8.150 nan 0.000 0.500 323 N N 1.532 120.214 118.700 -0.029 0.000 2.444 323 N HA 0.224 4.964 4.740 -0.000 0.000 0.262 323 N C -1.109 174.380 175.510 -0.035 0.000 0.974 323 N CA -0.190 52.880 53.050 0.033 0.000 0.933 323 N CB 0.350 38.876 38.487 0.065 0.000 1.137 323 N HN 0.657 nan 8.380 nan 0.000 0.498 324 H N 3.988 123.100 119.070 0.070 0.000 2.457 324 H HA 0.488 5.043 4.556 -0.000 0.000 0.335 324 H C -0.301 175.076 175.328 0.081 0.000 1.115 324 H CA -0.358 55.737 56.048 0.078 0.000 1.219 324 H CB 1.629 31.428 29.762 0.062 0.000 1.471 324 H HN 0.435 nan 8.280 nan 0.000 0.491 325 I N 2.651 123.332 120.570 0.185 0.000 2.607 325 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 325 I C -0.369 175.796 176.117 0.080 0.000 1.129 325 I CA -0.718 60.669 61.300 0.146 0.000 1.042 325 I CB 2.586 40.695 38.000 0.181 0.000 1.242 325 I HN 0.347 nan 8.210 nan 0.000 0.421 326 Q N 5.776 125.593 119.800 0.028 0.000 2.235 326 Q HA 0.610 4.949 4.340 -0.000 0.000 0.250 326 Q C -0.964 174.907 176.000 -0.215 0.000 0.909 326 Q CA -0.429 55.322 55.803 -0.086 0.000 0.910 326 Q CB 2.164 30.840 28.738 -0.104 0.000 1.223 326 Q HN 0.517 nan 8.270 nan 0.000 0.432 327 M N 1.887 121.319 119.600 -0.279 0.000 2.294 327 M HA 0.403 4.882 4.480 -0.000 0.000 0.335 327 M C -0.399 175.535 176.300 -0.611 0.000 1.079 327 M CA -0.498 54.512 55.300 -0.483 0.000 0.982 327 M CB 1.909 34.557 32.600 0.081 0.000 1.651 327 M HN 0.357 nan 8.290 nan 0.000 0.437 328 R N 3.564 123.372 120.500 -1.154 0.000 2.196 328 R HA 0.425 4.765 4.340 -0.000 0.000 0.340 328 R C -1.252 175.070 176.300 0.036 0.000 1.043 328 R CA -0.323 55.463 56.100 -0.523 0.000 0.883 328 R CB 0.502 30.424 30.300 -0.631 0.000 1.078 328 R HN 0.635 nan 8.270 nan 0.000 0.462 329 I N 4.674 125.320 120.570 0.127 0.000 2.330 329 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 329 I C 0.850 176.986 176.117 0.032 0.000 1.001 329 I CA 0.171 61.587 61.300 0.193 0.000 1.193 329 I CB 0.738 38.827 38.000 0.148 0.000 1.345 329 I HN 0.973 nan 8.210 nan 0.000 0.461 330 G N 7.235 115.855 108.800 -0.300 0.000 2.334 330 G HA2 0.203 4.163 3.960 -0.000 0.000 0.249 330 G HA3 0.203 4.163 3.960 -0.000 0.000 0.249 330 G C -1.192 173.060 174.900 -1.081 0.000 1.327 330 G CA -0.855 43.317 45.100 -1.548 0.000 0.979 330 G HN 0.765 nan 8.290 nan 0.000 0.471 331 R N -0.606 119.005 120.500 -1.481 0.000 2.680 331 R HA 0.574 4.914 4.340 -0.000 0.000 0.269 331 R C -1.007 174.755 176.300 -0.896 0.000 1.026 331 R CA -1.020 54.601 56.100 -0.798 0.000 0.889 331 R CB 0.871 30.986 30.300 -0.309 0.000 1.241 331 R HN 0.447 nan 8.270 nan 0.000 0.463 332 N N 1.775 120.295 118.700 -0.299 0.000 2.458 332 N HA -0.053 4.687 4.740 -0.000 0.000 0.258 332 N C 0.507 175.950 175.510 -0.112 0.000 1.219 332 N CA 0.134 53.130 53.050 -0.090 0.000 0.902 332 N CB 0.886 39.427 38.487 0.090 0.000 1.076 332 N HN 0.630 nan 8.380 nan 0.000 0.455 333 E N 2.132 122.285 120.200 -0.078 0.000 2.070 333 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 333 E C 0.067 176.650 176.600 -0.027 0.000 1.004 333 E CA 1.620 57.990 56.400 -0.051 0.000 0.805 333 E CB 0.172 29.857 29.700 -0.026 0.000 0.744 333 E HN 0.506 nan 8.360 nan 0.000 0.451 334 R N -0.391 120.114 120.500 0.009 0.000 2.532 334 R HA 0.210 4.549 4.340 -0.000 0.000 0.297 334 R C 0.840 177.193 176.300 0.089 0.000 0.984 334 R CA 0.144 56.273 56.100 0.047 0.000 0.884 334 R CB 1.473 31.804 30.300 0.052 0.000 1.182 334 R HN 0.043 nan 8.270 nan 0.000 0.442 335 T N -1.460 113.175 114.554 0.135 0.000 3.065 335 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 335 T C 0.230 175.077 174.700 0.245 0.000 1.099 335 T CA 0.103 62.302 62.100 0.165 0.000 1.063 335 T CB 0.321 69.287 68.868 0.164 0.000 0.948 335 T HN 0.463 nan 8.240 nan 0.000 0.506 336 W N 2.044 123.393 121.300 0.081 0.000 2.362 336 W HA 0.690 5.350 4.660 -0.000 0.000 0.316 336 W C -1.934 174.556 176.519 -0.050 0.000 1.024 336 W CA -2.888 54.462 57.345 0.007 0.000 1.270 336 W CB 0.378 29.839 29.460 0.001 0.000 1.273 336 W HN 0.084 nan 8.180 nan 0.000 0.424 337 I N 7.829 128.593 120.570 0.323 0.000 2.498 337 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 337 I C 0.432 176.486 176.117 -0.106 0.000 1.032 337 I CA -0.604 60.739 61.300 0.071 0.000 1.073 337 I CB 1.749 39.743 38.000 -0.010 0.000 1.251 337 I HN 0.429 nan 8.210 nan 0.000 0.426 338 N N 3.789 122.277 118.700 -0.353 0.000 1.194 338 N HA -0.306 4.434 4.740 -0.000 0.000 0.131 338 N C 0.451 175.307 175.510 -1.090 0.000 0.688 338 N CA 2.114 54.487 53.050 -1.128 0.000 0.927 338 N CB -0.788 36.844 38.487 -1.426 0.000 1.224 338 N HN 0.903 nan 8.380 nan 0.000 0.529 339 N N 0.623 118.563 118.700 -1.266 0.000 2.320 339 N HA 0.222 4.962 4.740 -0.000 0.000 0.237 339 N C -0.537 174.851 175.510 -0.204 0.000 1.129 339 N CA -0.203 52.429 53.050 -0.697 0.000 0.854 339 N CB -0.395 37.668 38.487 -0.707 0.000 1.083 339 N HN 0.550 nan 8.380 nan 0.000 0.504 340 C N 0.742 119.906 119.300 -0.226 0.000 2.369 340 C HA 0.715 5.175 4.460 -0.000 0.000 0.322 340 C C -0.648 174.156 174.990 -0.310 0.000 1.258 340 C CA -0.371 58.536 59.018 -0.184 0.000 1.487 340 C CB 0.339 27.997 27.740 -0.136 0.000 2.165 340 C HN 0.179 nan 8.230 nan 0.000 0.483 341 V N 5.793 125.461 119.914 -0.409 0.000 2.495 341 V HA 0.737 4.857 4.120 -0.000 0.000 0.298 341 V C 0.568 176.565 176.094 -0.162 0.000 1.031 341 V CA -0.339 61.724 62.300 -0.396 0.000 0.871 341 V CB 1.444 32.838 31.823 -0.715 0.000 0.988 341 V HN 1.133 nan 8.190 nan 0.000 0.432 342 A N 4.515 127.308 122.820 -0.045 0.000 2.301 342 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 342 A C -0.606 176.985 177.584 0.013 0.000 1.185 342 A CA -0.406 51.626 52.037 -0.008 0.000 0.830 342 A CB 0.979 20.000 19.000 0.035 0.000 1.112 342 A HN 0.731 nan 8.150 nan 0.000 0.508 343 V N 2.437 122.346 119.914 -0.009 0.000 2.577 343 V HA 0.759 4.879 4.120 -0.000 0.000 0.303 343 V C 0.706 176.799 176.094 -0.002 0.000 1.042 343 V CA 0.713 63.013 62.300 0.000 0.000 0.872 343 V CB 0.787 32.590 31.823 -0.034 0.000 0.998 343 V HN 2.148 nan 8.190 nan 0.000 0.423 344 G N 3.388 112.212 108.800 0.040 0.000 2.482 344 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 344 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 344 G C 0.379 175.318 174.900 0.066 0.000 1.271 344 G CA -0.135 44.991 45.100 0.044 0.000 0.944 344 G HN 0.684 nan 8.290 nan 0.000 0.568 345 L N 1.497 122.690 121.223 -0.050 0.000 2.187 345 L HA -0.093 4.247 4.340 -0.000 0.000 0.213 345 L C 3.272 180.156 176.870 0.023 0.000 1.100 345 L CA 2.425 57.197 54.840 -0.113 0.000 0.765 345 L CB -0.769 40.875 42.059 -0.692 0.000 0.904 345 L HN 0.795 nan 8.230 nan 0.000 0.437 346 S N 0.028 115.724 115.700 -0.007 0.000 2.399 346 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 346 S C 2.102 176.773 174.600 0.118 0.000 1.022 346 S CA 0.821 59.044 58.200 0.038 0.000 0.983 346 S CB -0.246 62.952 63.200 -0.002 0.000 0.803 346 S HN 0.388 nan 8.310 nan 0.000 0.480 347 A N 1.775 124.669 122.820 0.123 0.000 1.878 347 A HA 0.732 5.051 4.320 -0.000 0.000 0.213 347 A C 1.127 178.831 177.584 0.200 0.000 1.192 347 A CA 0.912 53.030 52.037 0.135 0.000 0.619 347 A CB -0.529 18.519 19.000 0.080 0.000 0.837 347 A HN 1.274 nan 8.150 nan 0.000 0.446 348 A N -2.831 120.139 122.820 0.250 0.000 2.566 348 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 348 A C -1.598 176.291 177.584 0.509 0.000 1.071 348 A CA -0.234 51.967 52.037 0.274 0.000 0.658 348 A CB 0.526 19.521 19.000 -0.008 0.000 1.285 348 A HN 1.247 nan 8.150 nan 0.000 0.427 349 F N -0.255 119.890 119.950 0.325 0.000 2.690 349 F HA 0.546 5.073 4.527 -0.000 0.000 0.311 349 F C -1.199 174.845 175.800 0.406 0.000 1.111 349 F CA -0.187 58.077 58.000 0.440 0.000 1.003 349 F CB 1.518 40.822 39.000 0.506 0.000 1.283 349 F HN 1.222 nan 8.300 nan 0.000 0.442 350 V N 1.621 121.364 119.914 -0.286 0.000 3.001 350 V HA 0.658 4.778 4.120 -0.000 0.000 0.314 350 V C -0.498 175.159 176.094 -0.728 0.000 1.099 350 V CA -0.953 61.202 62.300 -0.241 0.000 0.989 350 V CB 1.640 33.559 31.823 0.161 0.000 1.040 350 V HN 0.927 nan 8.190 nan 0.000 0.434 351 E N 2.804 122.873 120.200 -0.218 0.000 2.437 351 E HA 0.129 4.479 4.350 -0.000 0.000 0.263 351 E C -1.998 174.675 176.600 0.122 0.000 1.030 351 E CA -1.051 55.370 56.400 0.036 0.000 0.934 351 E CB 0.290 30.224 29.700 0.391 0.000 0.943 351 E HN 0.618 nan 8.360 nan 0.000 0.444 352 P HA -0.018 nan 4.420 nan 0.000 0.258 352 P C 0.771 178.307 177.300 0.394 0.000 1.559 352 P CA -0.102 63.181 63.100 0.305 0.000 0.855 352 P CB -0.027 31.818 31.700 0.242 0.000 1.594 353 L N 0.477 121.863 121.223 0.271 0.000 2.187 353 L HA -0.078 4.261 4.340 -0.000 0.000 0.213 353 L C 1.345 178.087 176.870 -0.214 0.000 1.100 353 L CA 2.032 56.691 54.840 -0.303 0.000 0.765 353 L CB -0.571 41.187 42.059 -0.501 0.000 0.904 353 L HN -0.073 nan 8.230 nan 0.000 0.437 354 E N -0.770 119.387 120.200 -0.071 0.000 2.887 354 E HA 0.220 4.570 4.350 -0.000 0.000 0.206 354 E C -0.026 176.688 176.600 0.190 0.000 0.983 354 E CA 0.405 56.851 56.400 0.077 0.000 1.141 354 E CB 0.242 29.962 29.700 0.035 0.000 1.061 354 E HN 0.330 nan 8.360 nan 0.000 0.468 355 S N 0.411 116.191 115.700 0.134 0.000 3.484 355 S HA -0.170 4.300 4.470 -0.000 0.000 0.384 355 S C 1.064 175.712 174.600 0.081 0.000 0.932 355 S CA 1.086 59.366 58.200 0.133 0.000 1.293 355 S CB -2.043 61.275 63.200 0.196 0.000 0.919 355 S HN 0.490 nan 8.310 nan 0.000 0.540 356 T N -2.834 111.691 114.554 -0.049 0.000 3.001 356 T HA 0.351 4.701 4.350 -0.000 0.000 0.251 356 T C 2.018 176.468 174.700 -0.416 0.000 1.040 356 T CA 0.587 62.509 62.100 -0.298 0.000 0.985 356 T CB 0.084 68.602 68.868 -0.583 0.000 1.011 356 T HN 0.631 nan 8.240 nan 0.000 0.509 357 G N 2.480 111.229 108.800 -0.086 0.000 2.491 357 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 357 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 357 G C 1.368 176.327 174.900 0.099 0.000 1.180 357 G CA 1.006 46.179 45.100 0.122 0.000 0.774 357 G HN 0.550 nan 8.290 nan 0.000 0.562 358 I N -0.262 120.369 120.570 0.102 0.000 2.439 358 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 358 I C 2.357 178.526 176.117 0.087 0.000 1.139 358 I CA 0.487 61.840 61.300 0.087 0.000 1.438 358 I CB -0.164 37.921 38.000 0.142 0.000 1.085 358 I HN 0.219 nan 8.210 nan 0.000 0.427 359 F N 1.890 121.835 119.950 -0.008 0.000 2.095 359 F HA -0.278 4.248 4.527 -0.000 0.000 0.298 359 F C 2.069 177.962 175.800 0.156 0.000 1.104 359 F CA 1.623 59.646 58.000 0.037 0.000 1.232 359 F CB -0.552 38.399 39.000 -0.082 0.000 0.987 359 F HN -0.079 nan 8.300 nan 0.000 0.475 360 F N 0.906 120.728 119.950 -0.214 0.000 2.154 360 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 360 F C 2.397 178.093 175.800 -0.174 0.000 1.087 360 F CA 1.139 58.988 58.000 -0.251 0.000 1.274 360 F CB -1.514 37.492 39.000 0.010 0.000 1.009 360 F HN 0.072 nan 8.300 nan 0.000 0.485 361 I N -0.470 120.139 120.570 0.065 0.000 2.163 361 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 361 I C 2.628 178.666 176.117 -0.132 0.000 1.081 361 I CA 1.464 62.745 61.300 -0.032 0.000 1.353 361 I CB -0.633 37.325 38.000 -0.070 0.000 1.054 361 I HN 0.143 nan 8.210 nan 0.000 0.407 362 Q N 0.319 120.011 119.800 -0.181 0.000 2.077 362 Q HA -0.332 4.008 4.340 -0.000 0.000 0.206 362 Q C 2.275 178.176 176.000 -0.166 0.000 0.989 362 Q CA 2.218 57.893 55.803 -0.214 0.000 0.853 362 Q CB -0.168 28.503 28.738 -0.112 0.000 0.907 362 Q HN 0.533 nan 8.270 nan 0.000 0.418 363 H N -0.549 118.379 119.070 -0.236 0.000 2.389 363 H HA 0.047 4.602 4.556 -0.000 0.000 0.299 363 H C 1.708 176.957 175.328 -0.131 0.000 1.081 363 H CA 1.664 57.597 56.048 -0.192 0.000 1.345 363 H CB -0.156 29.426 29.762 -0.300 0.000 1.393 363 H HN 0.388 nan 8.280 nan 0.000 0.520 364 A N 0.204 122.946 122.820 -0.130 0.000 1.972 364 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 364 A C 2.423 179.999 177.584 -0.014 0.000 1.169 364 A CA 1.575 53.575 52.037 -0.063 0.000 0.635 364 A CB -0.631 18.378 19.000 0.015 0.000 0.810 364 A HN 0.499 nan 8.150 nan 0.000 0.446 365 I N -0.960 119.521 120.570 -0.149 0.000 2.333 365 I HA -0.167 4.002 4.170 -0.000 0.000 0.246 365 I C 2.430 178.352 176.117 -0.326 0.000 1.106 365 I CA 1.092 62.259 61.300 -0.222 0.000 1.411 365 I CB -0.346 37.449 38.000 -0.341 0.000 1.082 365 I HN 0.363 nan 8.210 nan 0.000 0.420 366 E N 0.457 120.381 120.200 -0.461 0.000 2.097 366 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 366 E C 2.132 178.658 176.600 -0.123 0.000 1.000 366 E CA 1.121 57.297 56.400 -0.374 0.000 0.804 366 E CB -0.010 29.505 29.700 -0.309 0.000 0.740 366 E HN 0.403 nan 8.360 nan 0.000 0.454 367 Q N 0.041 119.772 119.800 -0.115 0.000 2.311 367 Q HA -0.067 4.272 4.340 -0.000 0.000 0.203 367 Q C 2.188 178.478 176.000 0.483 0.000 0.954 367 Q CA 0.463 56.353 55.803 0.144 0.000 0.885 367 Q CB -0.103 28.569 28.738 -0.110 0.000 0.963 367 Q HN 0.234 nan 8.270 nan 0.000 0.471 368 L N -0.095 121.336 121.223 0.346 0.000 2.056 368 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 368 L C 2.089 179.160 176.870 0.336 0.000 1.078 368 L CA 1.306 56.270 54.840 0.206 0.000 0.749 368 L CB -0.638 41.433 42.059 0.019 0.000 0.901 368 L HN -0.078 nan 8.230 nan 0.000 0.433 369 V N 0.085 120.141 119.914 0.238 0.000 2.343 369 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 369 V C 2.696 178.976 176.094 0.310 0.000 1.051 369 V CA 1.788 64.229 62.300 0.235 0.000 1.036 369 V CB -0.726 31.126 31.823 0.049 0.000 0.654 369 V HN 0.440 nan 8.190 nan 0.000 0.451 370 K N -0.298 120.257 120.400 0.260 0.000 2.097 370 K HA -0.138 4.181 4.320 -0.000 0.000 0.206 370 K C 1.508 178.179 176.600 0.118 0.000 1.049 370 K CA 1.418 57.811 56.287 0.176 0.000 0.933 370 K CB -0.383 32.198 32.500 0.135 0.000 0.717 370 K HN 0.591 nan 8.250 nan 0.000 0.442 371 H N -1.189 118.049 119.070 0.280 0.000 2.524 371 H HA 0.161 4.717 4.556 -0.000 0.000 0.299 371 H C -0.524 174.992 175.328 0.313 0.000 1.074 371 H CA -0.683 55.530 56.048 0.275 0.000 1.115 371 H CB -0.587 29.386 29.762 0.352 0.000 1.522 371 H HN -0.046 nan 8.280 nan 0.000 0.543 372 F N 4.107 124.201 119.950 0.240 0.000 2.607 372 F HA 0.104 4.631 4.527 -0.000 0.000 0.374 372 F C -1.751 174.101 175.800 0.086 0.000 1.104 372 F CA -2.342 55.766 58.000 0.180 0.000 1.296 372 F CB 0.616 39.742 39.000 0.209 0.000 1.085 372 F HN 0.115 nan 8.300 nan 0.000 0.584 373 P HA 0.280 nan 4.420 nan 0.000 0.278 373 P C -0.317 176.689 177.300 -0.489 0.000 1.238 373 P CA -0.334 62.473 63.100 -0.488 0.000 0.794 373 P CB 1.217 32.330 31.700 -0.979 0.000 0.955 374 G N 0.859 109.439 108.800 -0.366 0.000 2.568 374 G HA2 0.139 4.099 3.960 -0.000 0.000 0.293 374 G HA3 0.139 4.099 3.960 -0.000 0.000 0.293 374 G C 0.548 175.210 174.900 -0.397 0.000 1.347 374 G CA -0.414 44.524 45.100 -0.270 0.000 1.039 374 G HN 0.515 nan 8.290 nan 0.000 0.523 375 E N -1.019 119.067 120.200 -0.191 0.000 2.338 375 E HA -0.045 4.305 4.350 -0.000 0.000 0.197 375 E C 2.388 179.028 176.600 0.067 0.000 1.007 375 E CA 0.415 56.772 56.400 -0.073 0.000 0.849 375 E CB 0.082 29.799 29.700 0.028 0.000 0.774 375 E HN 0.393 nan 8.360 nan 0.000 0.506 376 R N -0.994 119.516 120.500 0.017 0.000 2.276 376 R HA -0.049 4.291 4.340 -0.000 0.000 0.203 376 R C -0.571 175.891 176.300 0.271 0.000 1.017 376 R CA 0.215 56.390 56.100 0.124 0.000 1.010 376 R CB -0.008 30.325 30.300 0.055 0.000 0.900 376 R HN 0.173 nan 8.270 nan 0.000 0.469 377 W N 1.813 123.165 121.300 0.086 0.000 6.228 377 W HA -0.237 4.423 4.660 -0.000 0.000 0.430 377 W C -0.336 176.207 176.519 0.041 0.000 1.759 377 W CA 0.149 57.567 57.345 0.121 0.000 1.013 377 W CB -1.465 28.194 29.460 0.333 0.000 2.940 377 W HN 0.109 nan 8.180 nan 0.000 1.326 378 D N 2.650 123.106 120.400 0.093 0.000 2.363 378 D HA 0.073 4.713 4.640 -0.000 0.000 0.263 378 D C -0.660 175.638 176.300 -0.004 0.000 1.258 378 D CA -1.634 52.391 54.000 0.042 0.000 0.907 378 D CB 1.092 41.890 40.800 -0.003 0.000 1.107 378 D HN 0.031 nan 8.370 nan 0.000 0.495 379 P HA -0.119 nan 4.420 nan 0.000 0.220 379 P C 1.521 178.788 177.300 -0.056 0.000 1.148 379 P CA 0.327 63.410 63.100 -0.029 0.000 0.803 379 P CB 0.330 32.041 31.700 0.018 0.000 0.782 380 V N -0.377 119.523 119.914 -0.023 0.000 2.453 380 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 380 V C 2.432 178.524 176.094 -0.004 0.000 1.048 380 V CA 1.248 63.543 62.300 -0.009 0.000 1.049 380 V CB -1.137 30.691 31.823 0.007 0.000 0.672 380 V HN 0.043 nan 8.190 nan 0.000 0.457 381 L N -0.149 121.064 121.223 -0.017 0.000 2.056 381 L HA -0.056 4.283 4.340 -0.000 0.000 0.207 381 L C 2.140 179.004 176.870 -0.010 0.000 1.078 381 L CA 1.771 56.630 54.840 0.032 0.000 0.749 381 L CB -0.384 41.676 42.059 0.001 0.000 0.901 381 L HN 0.201 nan 8.230 nan 0.000 0.433 382 I N -1.301 119.102 120.570 -0.279 0.000 2.179 382 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 382 I C 2.660 178.652 176.117 -0.209 0.000 1.088 382 I CA 1.564 62.520 61.300 -0.574 0.000 1.357 382 I CB -0.553 36.923 38.000 -0.874 0.000 1.051 382 I HN 0.367 nan 8.210 nan 0.000 0.409 383 S N 0.791 116.419 115.700 -0.119 0.000 2.399 383 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 383 S C 2.176 176.774 174.600 -0.004 0.000 1.022 383 S CA 1.288 59.459 58.200 -0.050 0.000 0.983 383 S CB -0.187 62.991 63.200 -0.037 0.000 0.803 383 S HN 0.446 nan 8.310 nan 0.000 0.480 384 A N 0.036 122.884 122.820 0.048 0.000 1.930 384 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 384 A C 2.002 179.598 177.584 0.021 0.000 1.175 384 A CA 1.472 53.569 52.037 0.100 0.000 0.627 384 A CB -1.192 17.946 19.000 0.230 0.000 0.815 384 A HN 0.754 nan 8.150 nan 0.000 0.443 385 Y N 1.387 121.560 120.300 -0.212 0.000 2.145 385 Y HA -0.239 4.310 4.550 -0.000 0.000 0.286 385 Y C 2.309 178.128 175.900 -0.134 0.000 1.145 385 Y CA 2.185 60.047 58.100 -0.397 0.000 1.148 385 Y CB -0.192 38.128 38.460 -0.232 0.000 0.981 385 Y HN 0.320 nan 8.280 nan 0.000 0.507 386 N N 0.391 119.117 118.700 0.044 0.000 2.120 386 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 386 N C 1.760 177.194 175.510 -0.127 0.000 1.024 386 N CA 1.516 54.560 53.050 -0.010 0.000 0.852 386 N CB -0.358 38.153 38.487 0.039 0.000 1.003 386 N HN 0.516 nan 8.380 nan 0.000 0.424 387 E N 1.075 121.199 120.200 -0.127 0.000 2.058 387 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 387 E C 2.057 178.542 176.600 -0.191 0.000 0.997 387 E CA 0.869 57.141 56.400 -0.212 0.000 0.801 387 E CB -0.099 29.522 29.700 -0.133 0.000 0.746 387 E HN 0.347 nan 8.360 nan 0.000 0.450 388 R N -0.214 120.236 120.500 -0.084 0.000 2.091 388 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 388 R C 2.425 178.712 176.300 -0.023 0.000 1.136 388 R CA 1.411 57.528 56.100 0.028 0.000 0.959 388 R CB -0.143 30.147 30.300 -0.016 0.000 0.856 388 R HN 0.170 nan 8.270 nan 0.000 0.437 389 M N -0.228 119.237 119.600 -0.226 0.000 2.159 389 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 389 M C 2.395 178.615 176.300 -0.133 0.000 1.063 389 M CA 1.423 56.599 55.300 -0.206 0.000 1.110 389 M CB -0.975 31.445 32.600 -0.300 0.000 1.374 389 M HN 0.173 nan 8.290 nan 0.000 0.411 390 A N -0.402 122.329 122.820 -0.148 0.000 1.898 390 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 390 A C 1.994 179.542 177.584 -0.060 0.000 1.181 390 A CA 1.408 53.362 52.037 -0.138 0.000 0.620 390 A CB -0.925 17.950 19.000 -0.207 0.000 0.819 390 A HN 0.460 nan 8.150 nan 0.000 0.442 391 H N -0.977 118.119 119.070 0.044 0.000 2.389 391 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 391 H C 2.079 177.516 175.328 0.181 0.000 1.081 391 H CA 1.714 57.878 56.048 0.193 0.000 1.345 391 H CB -0.468 29.437 29.762 0.237 0.000 1.393 391 H HN 0.625 nan 8.280 nan 0.000 0.520 392 M N 0.573 120.326 119.600 0.255 0.000 2.080 392 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 392 M C 1.873 178.256 176.300 0.139 0.000 1.068 392 M CA 1.658 57.093 55.300 0.226 0.000 1.109 392 M CB -0.028 32.658 32.600 0.143 0.000 1.342 392 M HN 0.019 nan 8.290 nan 0.000 0.405 393 V N 0.480 120.345 119.914 -0.082 0.000 2.407 393 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 393 V C 1.757 177.853 176.094 0.003 0.000 1.041 393 V CA 1.771 63.998 62.300 -0.122 0.000 1.040 393 V CB -0.920 30.762 31.823 -0.236 0.000 0.671 393 V HN 0.424 nan 8.190 nan 0.000 0.455 394 D N 1.055 121.418 120.400 -0.062 0.000 2.178 394 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 394 D C 2.190 178.200 176.300 -0.484 0.000 0.980 394 D CA 1.548 55.422 54.000 -0.209 0.000 0.842 394 D CB -0.460 40.293 40.800 -0.078 0.000 0.948 394 D HN 0.463 nan 8.370 nan 0.000 0.472 395 G N 0.533 108.906 108.800 -0.713 0.000 2.404 395 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 395 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 395 G C 1.830 176.564 174.900 -0.276 0.000 1.174 395 G CA 0.573 45.001 45.100 -1.119 0.000 0.780 395 G HN 0.245 nan 8.290 nan 0.000 0.537 396 V N 1.003 120.968 119.914 0.085 0.000 2.427 396 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 396 V C 2.653 178.803 176.094 0.093 0.000 1.051 396 V CA 2.106 64.570 62.300 0.272 0.000 1.048 396 V CB -0.290 31.838 31.823 0.508 0.000 0.666 396 V HN 0.484 nan 8.190 nan 0.000 0.456 397 K N 0.468 120.858 120.400 -0.016 0.000 2.063 397 K HA -0.279 4.041 4.320 -0.000 0.000 0.208 397 K C 2.187 178.704 176.600 -0.138 0.000 1.048 397 K CA 2.226 58.429 56.287 -0.140 0.000 0.928 397 K CB -0.147 32.048 32.500 -0.508 0.000 0.713 397 K HN 0.578 nan 8.250 nan 0.000 0.442 398 E N -0.423 119.701 120.200 -0.127 0.000 2.047 398 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 398 E C 1.913 178.504 176.600 -0.014 0.000 0.987 398 E CA 0.902 57.288 56.400 -0.023 0.000 0.799 398 E CB -0.224 29.518 29.700 0.070 0.000 0.752 398 E HN 0.331 nan 8.360 nan 0.000 0.449 399 F N 1.722 121.458 119.950 -0.356 0.000 2.091 399 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 399 F C 1.878 177.426 175.800 -0.420 0.000 1.103 399 F CA 1.490 59.026 58.000 -0.774 0.000 1.228 399 F CB -0.502 37.986 39.000 -0.853 0.000 0.984 399 F HN 0.044 nan 8.300 nan 0.000 0.477 400 L N -0.971 120.019 121.223 -0.389 0.000 2.046 400 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 400 L C 2.395 179.172 176.870 -0.155 0.000 1.077 400 L CA 1.097 55.642 54.840 -0.493 0.000 0.747 400 L CB -0.950 40.956 42.059 -0.255 0.000 0.896 400 L HN -0.005 nan 8.230 nan 0.000 0.432 401 V N 0.027 119.920 119.914 -0.035 0.000 2.407 401 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 401 V C 2.413 178.545 176.094 0.064 0.000 1.055 401 V CA 1.451 63.802 62.300 0.085 0.000 1.049 401 V CB -0.393 31.449 31.823 0.032 0.000 0.662 401 V HN 0.336 nan 8.190 nan 0.000 0.455 402 L N -0.046 121.150 121.223 -0.044 0.000 2.079 402 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 402 L C 2.323 179.084 176.870 -0.182 0.000 1.081 402 L CA 2.128 56.909 54.840 -0.098 0.000 0.752 402 L CB -0.862 41.090 42.059 -0.177 0.000 0.896 402 L HN 0.397 nan 8.230 nan 0.000 0.433 403 H N -1.726 117.047 119.070 -0.494 0.000 2.290 403 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 403 H C 1.945 177.059 175.328 -0.358 0.000 1.087 403 H CA 2.510 58.165 56.048 -0.655 0.000 1.291 403 H CB -0.719 28.455 29.762 -0.981 0.000 1.369 403 H HN 0.405 nan 8.280 nan 0.000 0.492 404 Y N 0.743 121.132 120.300 0.148 0.000 2.293 404 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 404 Y C 2.199 178.209 175.900 0.184 0.000 1.137 404 Y CA 0.868 59.135 58.100 0.279 0.000 1.202 404 Y CB 0.066 38.638 38.460 0.186 0.000 0.990 404 Y HN 0.030 nan 8.280 nan 0.000 0.537 405 K N -0.538 119.978 120.400 0.192 0.000 2.217 405 K HA 0.032 4.351 4.320 -0.000 0.000 0.202 405 K C 2.227 178.862 176.600 0.058 0.000 1.051 405 K CA 0.999 57.354 56.287 0.113 0.000 0.952 405 K CB -0.693 31.847 32.500 0.066 0.000 0.736 405 K HN 0.410 nan 8.250 nan 0.000 0.453 406 G N 1.148 109.941 108.800 -0.010 0.000 2.494 406 G HA2 0.001 3.960 3.960 -0.000 0.000 0.216 406 G HA3 0.001 3.960 3.960 -0.000 0.000 0.216 406 G C 0.533 175.429 174.900 -0.006 0.000 1.140 406 G CA 0.374 45.433 45.100 -0.069 0.000 0.801 406 G HN 0.311 nan 8.290 nan 0.000 0.536 407 A N 0.389 123.270 122.820 0.103 0.000 2.548 407 A HA 0.306 4.625 4.320 -0.000 0.000 0.247 407 A C 1.198 178.844 177.584 0.103 0.000 1.067 407 A CA 0.140 52.283 52.037 0.178 0.000 0.757 407 A CB 0.224 19.458 19.000 0.389 0.000 0.996 407 A HN 0.463 nan 8.150 nan 0.000 0.504 408 Q N 1.197 121.020 119.800 0.038 0.000 2.398 408 Q HA -0.028 4.311 4.340 -0.000 0.000 0.204 408 Q C 0.779 176.774 176.000 -0.007 0.000 0.932 408 Q CA 0.274 56.089 55.803 0.019 0.000 0.916 408 Q CB 0.015 28.756 28.738 0.005 0.000 1.024 408 Q HN 0.899 nan 8.270 nan 0.000 0.504 409 R N 1.249 121.690 120.500 -0.098 0.000 2.623 409 R HA 0.041 4.381 4.340 -0.000 0.000 0.271 409 R C -0.333 175.955 176.300 -0.019 0.000 1.043 409 R CA 0.543 56.546 56.100 -0.161 0.000 1.083 409 R CB 0.339 30.381 30.300 -0.431 0.000 0.974 409 R HN -0.014 nan 8.270 nan 0.000 0.436 410 E N 1.229 121.453 120.200 0.042 0.000 3.521 410 E HA -0.000 4.349 4.350 -0.000 0.000 0.183 410 E C -0.651 176.036 176.600 0.145 0.000 0.981 410 E CA -0.146 56.340 56.400 0.144 0.000 1.349 410 E CB 0.647 30.409 29.700 0.102 0.000 1.102 410 E HN 0.798 nan 8.360 nan 0.000 0.449 411 D N -0.130 120.359 120.400 0.148 0.000 2.367 411 D HA -0.046 4.594 4.640 -0.000 0.000 0.207 411 D C 0.831 177.237 176.300 0.178 0.000 1.034 411 D CA 0.342 54.415 54.000 0.122 0.000 0.861 411 D CB 0.424 41.258 40.800 0.058 0.000 0.943 411 D HN 0.119 nan 8.370 nan 0.000 0.515 412 T N -3.650 111.073 114.554 0.282 0.000 2.901 412 T HA 0.424 4.774 4.350 -0.000 0.000 0.293 412 T C -2.391 172.435 174.700 0.209 0.000 1.084 412 T CA -1.682 60.568 62.100 0.250 0.000 1.008 412 T CB 2.386 71.434 68.868 0.301 0.000 1.170 412 T HN -0.428 nan 8.240 nan 0.000 0.509 413 P HA -0.085 nan 4.420 nan 0.000 0.217 413 P C 1.042 178.327 177.300 -0.025 0.000 1.148 413 P CA 0.855 64.072 63.100 0.195 0.000 0.828 413 P CB -0.181 31.726 31.700 0.346 0.000 0.783 414 Y N -1.099 118.937 120.300 -0.440 0.000 2.097 414 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 414 Y C 2.007 177.473 175.900 -0.724 0.000 1.152 414 Y CA 1.669 59.087 58.100 -1.136 0.000 1.136 414 Y CB -0.970 36.874 38.460 -1.027 0.000 0.975 414 Y HN -0.087 nan 8.280 nan 0.000 0.498 415 W N 0.646 121.922 121.300 -0.040 0.000 2.467 415 W HA -0.042 4.618 4.660 -0.000 0.000 0.275 415 W C 2.306 178.791 176.519 -0.057 0.000 1.239 415 W CA 0.998 58.332 57.345 -0.019 0.000 1.266 415 W CB -0.103 29.412 29.460 0.092 0.000 1.112 415 W HN -0.091 nan 8.180 nan 0.000 0.576 416 K N 0.101 120.577 120.400 0.126 0.000 2.057 416 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 416 K C 2.261 178.868 176.600 0.011 0.000 1.050 416 K CA 1.363 57.702 56.287 0.086 0.000 0.935 416 K CB -0.477 32.080 32.500 0.095 0.000 0.715 416 K HN 0.107 nan 8.250 nan 0.000 0.439 417 A N 1.489 124.255 122.820 -0.091 0.000 1.930 417 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 417 A C 2.346 179.828 177.584 -0.169 0.000 1.175 417 A CA 1.561 53.538 52.037 -0.100 0.000 0.627 417 A CB -0.512 18.448 19.000 -0.067 0.000 0.815 417 A HN 0.307 nan 8.150 nan 0.000 0.443 418 A N -0.191 122.451 122.820 -0.296 0.000 1.972 418 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 418 A C 2.113 179.694 177.584 -0.006 0.000 1.169 418 A CA 1.879 53.785 52.037 -0.218 0.000 0.635 418 A CB -0.409 18.468 19.000 -0.205 0.000 0.810 418 A HN 0.514 nan 8.150 nan 0.000 0.446 419 K N -0.501 119.924 120.400 0.043 0.000 2.148 419 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 419 K C 1.696 178.322 176.600 0.043 0.000 1.050 419 K CA 1.756 58.087 56.287 0.073 0.000 0.942 419 K CB -0.098 32.455 32.500 0.087 0.000 0.724 419 K HN 0.654 nan 8.250 nan 0.000 0.446 420 T N -2.555 112.012 114.554 0.022 0.000 3.023 420 T HA 0.144 4.494 4.350 -0.000 0.000 0.253 420 T C 0.694 175.401 174.700 0.011 0.000 1.038 420 T CA -0.491 61.621 62.100 0.021 0.000 0.962 420 T CB 0.115 68.998 68.868 0.025 0.000 1.018 420 T HN 0.061 nan 8.240 nan 0.000 0.521 421 R N 1.649 122.146 120.500 -0.006 0.000 2.623 421 R HA 0.512 4.852 4.340 -0.000 0.000 0.271 421 R C 0.493 176.793 176.300 0.000 0.000 1.043 421 R CA 0.044 56.136 56.100 -0.014 0.000 1.083 421 R CB 0.090 30.358 30.300 -0.054 0.000 0.974 421 R HN 0.399 nan 8.270 nan 0.000 0.436 422 A N 4.672 127.494 122.820 0.003 0.000 2.547 422 A HA 0.085 4.405 4.320 -0.000 0.000 0.233 422 A C 0.002 177.589 177.584 0.006 0.000 1.067 422 A CA 0.540 52.582 52.037 0.008 0.000 0.763 422 A CB 0.237 19.243 19.000 0.010 0.000 1.007 422 A HN 0.758 nan 8.150 nan 0.000 0.506 423 M N 1.416 121.022 119.600 0.010 0.000 2.598 423 M HA 0.388 4.868 4.480 -0.000 0.000 0.317 423 M C -2.302 174.000 176.300 0.003 0.000 1.179 423 M CA -1.805 53.501 55.300 0.010 0.000 0.936 423 M CB 1.607 34.221 32.600 0.024 0.000 1.713 423 M HN 0.423 nan 8.290 nan 0.000 0.460 424 P HA 0.036 nan 4.420 nan 0.000 0.267 424 P C -1.171 176.141 177.300 0.021 0.000 1.200 424 P CA -0.092 62.999 63.100 -0.014 0.000 0.772 424 P CB 0.211 31.887 31.700 -0.041 0.000 0.855 425 D N 1.172 121.588 120.400 0.026 0.000 2.583 425 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 425 D C 1.606 177.942 176.300 0.059 0.000 1.128 425 D CA 1.986 56.009 54.000 0.039 0.000 0.859 425 D CB 0.197 41.022 40.800 0.041 0.000 1.169 425 D HN 0.696 nan 8.370 nan 0.000 0.481 426 G N 1.414 110.244 108.800 0.050 0.000 2.279 426 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.223 426 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.223 426 G C 0.992 175.929 174.900 0.062 0.000 1.015 426 G CA 0.268 45.399 45.100 0.053 0.000 0.621 426 G HN 0.483 nan 8.290 nan 0.000 0.506 427 L N 1.823 123.093 121.223 0.079 0.000 2.093 427 L HA 0.532 4.872 4.340 -0.000 0.000 0.208 427 L C 3.103 180.010 176.870 0.062 0.000 1.085 427 L CA 2.969 57.867 54.840 0.096 0.000 0.755 427 L CB -0.945 41.172 42.059 0.096 0.000 0.904 427 L HN 0.766 nan 8.230 nan 0.000 0.435 428 A N -0.277 122.568 122.820 0.042 0.000 1.892 428 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 428 A C 2.441 180.035 177.584 0.018 0.000 1.188 428 A CA 2.006 54.059 52.037 0.027 0.000 0.631 428 A CB -0.635 18.377 19.000 0.021 0.000 0.822 428 A HN 0.463 nan 8.150 nan 0.000 0.447 429 R N 0.332 120.840 120.500 0.013 0.000 2.081 429 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 429 R C 1.945 178.236 176.300 -0.014 0.000 1.131 429 R CA 2.210 58.308 56.100 -0.002 0.000 0.960 429 R CB -0.497 29.799 30.300 -0.008 0.000 0.856 429 R HN 0.581 nan 8.270 nan 0.000 0.436 430 K N 0.038 120.437 120.400 -0.001 0.000 2.097 430 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 430 K C 2.068 178.666 176.600 -0.004 0.000 1.049 430 K CA 1.659 57.942 56.287 -0.007 0.000 0.933 430 K CB -0.218 32.312 32.500 0.050 0.000 0.717 430 K HN 0.209 nan 8.250 nan 0.000 0.442 431 L N 0.947 122.179 121.223 0.015 0.000 2.056 431 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 431 L C 2.183 179.038 176.870 -0.026 0.000 1.078 431 L CA 1.291 56.131 54.840 -0.000 0.000 0.749 431 L CB -0.463 41.604 42.059 0.013 0.000 0.901 431 L HN 0.203 nan 8.230 nan 0.000 0.433 432 E N 0.479 120.666 120.200 -0.022 0.000 2.085 432 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 432 E C 2.326 178.890 176.600 -0.059 0.000 0.994 432 E CA 1.169 57.553 56.400 -0.027 0.000 0.801 432 E CB -0.217 29.476 29.700 -0.013 0.000 0.743 432 E HN 0.423 nan 8.360 nan 0.000 0.453 433 L N 0.636 121.800 121.223 -0.099 0.000 2.046 433 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 433 L C 2.448 179.131 176.870 -0.312 0.000 1.077 433 L CA 0.916 55.620 54.840 -0.228 0.000 0.747 433 L CB -0.233 41.665 42.059 -0.269 0.000 0.896 433 L HN 0.029 nan 8.230 nan 0.000 0.432 434 S N -0.354 115.233 115.700 -0.188 0.000 2.447 434 S HA -0.069 4.401 4.470 -0.000 0.000 0.233 434 S C 2.007 176.541 174.600 -0.109 0.000 1.006 434 S CA 0.955 59.063 58.200 -0.154 0.000 0.957 434 S CB -0.141 63.008 63.200 -0.086 0.000 0.773 434 S HN 0.485 nan 8.310 nan 0.000 0.507 435 A N 0.385 123.157 122.820 -0.081 0.000 2.123 435 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 435 A C 2.101 179.670 177.584 -0.024 0.000 1.152 435 A CA 1.260 53.270 52.037 -0.044 0.000 0.728 435 A CB -0.297 18.687 19.000 -0.028 0.000 0.814 435 A HN 0.459 nan 8.150 nan 0.000 0.464 436 S N -0.959 114.728 115.700 -0.023 0.000 2.566 436 S HA 0.163 4.632 4.470 -0.000 0.000 0.234 436 S C 0.592 175.284 174.600 0.154 0.000 1.075 436 S CA 0.608 58.854 58.200 0.077 0.000 0.926 436 S CB -0.022 63.277 63.200 0.165 0.000 0.811 436 S HN 0.801 nan 8.310 nan 0.000 0.518 437 H N -1.021 118.038 119.070 -0.020 0.000 2.967 437 H HA 0.371 4.927 4.556 -0.000 0.000 0.318 437 H C -1.259 174.060 175.328 -0.015 0.000 1.375 437 H CA -0.987 55.050 56.048 -0.018 0.000 1.132 437 H CB -0.076 29.679 29.762 -0.012 0.000 1.848 437 H HN 0.166 nan 8.280 nan 0.000 0.524 438 L N 1.865 123.101 121.223 0.022 0.000 2.453 438 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 438 L C 0.888 177.725 176.870 -0.054 0.000 1.182 438 L CA -0.423 54.401 54.840 -0.027 0.000 0.858 438 L CB 0.175 42.252 42.059 0.030 0.000 1.120 438 L HN 0.305 nan 8.230 nan 0.000 0.474 439 L N 2.730 123.905 121.223 -0.080 0.000 2.492 439 L HA -0.022 4.318 4.340 -0.000 0.000 0.280 439 L C -0.031 176.822 176.870 -0.029 0.000 1.240 439 L CA 0.447 55.240 54.840 -0.078 0.000 0.831 439 L CB 0.249 42.268 42.059 -0.067 0.000 1.100 439 L HN 0.762 nan 8.230 nan 0.000 0.505 440 D N -1.440 118.925 120.400 -0.058 0.000 2.752 440 D HA 0.192 4.832 4.640 -0.000 0.000 0.313 440 D C 0.223 176.465 176.300 -0.096 0.000 1.225 440 D CA -0.676 53.300 54.000 -0.040 0.000 0.976 440 D CB 0.515 41.311 40.800 -0.006 0.000 1.443 440 D HN 0.307 nan 8.370 nan 0.000 0.515 441 E N -0.877 119.283 120.200 -0.066 0.000 2.187 441 E HA -0.178 4.171 4.350 -0.000 0.000 0.199 441 E C 1.497 178.020 176.600 -0.127 0.000 1.004 441 E CA 1.542 57.891 56.400 -0.085 0.000 0.813 441 E CB -0.114 29.559 29.700 -0.044 0.000 0.736 441 E HN 0.326 nan 8.360 nan 0.000 0.468 442 Q N -0.947 118.785 119.800 -0.114 0.000 2.398 442 Q HA 0.065 4.404 4.340 -0.000 0.000 0.204 442 Q C 1.595 177.499 176.000 -0.160 0.000 0.932 442 Q CA 1.473 57.199 55.803 -0.128 0.000 0.916 442 Q CB 0.414 29.098 28.738 -0.090 0.000 1.024 442 Q HN 0.516 nan 8.270 nan 0.000 0.504 443 T N -3.040 111.410 114.554 -0.175 0.000 3.003 443 T HA 0.272 4.622 4.350 -0.000 0.000 0.261 443 T C 1.250 175.756 174.700 -0.324 0.000 1.003 443 T CA -0.337 61.645 62.100 -0.198 0.000 0.917 443 T CB -0.179 68.611 68.868 -0.131 0.000 1.084 443 T HN 0.215 nan 8.240 nan 0.000 0.522 444 I N -1.315 118.985 120.570 -0.450 0.000 3.394 444 I HA 0.505 4.675 4.170 -0.000 0.000 0.264 444 I C 0.527 176.258 176.117 -0.644 0.000 1.184 444 I CA -1.484 59.302 61.300 -0.857 0.000 0.890 444 I CB 0.221 37.511 38.000 -1.183 0.000 1.619 444 I HN -0.024 nan 8.210 nan 0.000 0.820 445 Y N 3.063 122.840 120.300 -0.871 0.000 2.632 445 Y HA 0.183 4.733 4.550 -0.000 0.000 0.329 445 Y C -1.741 173.970 175.900 -0.316 0.000 1.174 445 Y CA -1.456 56.366 58.100 -0.464 0.000 1.469 445 Y CB 0.513 38.698 38.460 -0.459 0.000 1.242 445 Y HN 0.380 nan 8.280 nan 0.000 0.540 446 P HA -0.034 nan 4.420 nan 0.000 0.235 446 P C -0.923 175.990 177.300 -0.645 0.000 1.177 446 P CA 0.920 63.614 63.100 -0.675 0.000 0.785 446 P CB 0.319 31.502 31.700 -0.862 0.000 0.885 447 Y N -1.129 118.982 120.300 -0.316 0.000 2.403 447 Y HA 0.329 4.878 4.550 -0.000 0.000 0.323 447 Y C 0.737 176.864 175.900 0.378 0.000 1.226 447 Y CA -1.376 56.700 58.100 -0.041 0.000 1.235 447 Y CB -0.093 38.141 38.460 -0.377 0.000 1.248 447 Y HN -0.200 nan 8.280 nan 0.000 0.489 448 Y N 4.249 124.791 120.300 0.403 0.000 2.632 448 Y HA 0.048 4.598 4.550 -0.000 0.000 0.329 448 Y C 0.805 176.962 175.900 0.429 0.000 1.174 448 Y CA 0.098 58.393 58.100 0.326 0.000 1.469 448 Y CB 0.042 38.618 38.460 0.192 0.000 1.242 448 Y HN 0.641 nan 8.280 nan 0.000 0.540 449 H N 4.077 122.917 119.070 -0.383 0.000 2.904 449 H HA 0.315 4.870 4.556 -0.000 0.000 0.242 449 H C 1.083 176.092 175.328 -0.532 0.000 1.193 449 H CA -0.043 55.891 56.048 -0.189 0.000 0.946 449 H CB 0.007 29.816 29.762 0.078 0.000 2.135 449 H HN 0.877 nan 8.280 nan 0.000 0.652 450 G N 1.386 109.305 108.800 -1.467 0.000 2.990 450 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.225 450 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.225 450 G C -0.002 174.228 174.900 -1.117 0.000 1.304 450 G CA 0.355 44.562 45.100 -1.488 0.000 0.816 450 G HN 0.292 nan 8.290 nan 0.000 0.528 451 F N 2.901 122.280 119.950 -0.951 0.000 2.429 451 F HA 0.588 5.115 4.527 -0.000 0.000 0.348 451 F C 1.117 176.678 175.800 -0.398 0.000 1.109 451 F CA -0.145 57.510 58.000 -0.574 0.000 1.232 451 F CB 0.748 39.316 39.000 -0.719 0.000 1.157 451 F HN 0.241 nan 8.300 nan 0.000 0.564 452 E N 0.343 120.536 120.200 -0.011 0.000 2.254 452 E HA 0.208 4.558 4.350 -0.000 0.000 0.258 452 E C 0.817 177.461 176.600 0.074 0.000 1.033 452 E CA -0.570 55.852 56.400 0.037 0.000 0.893 452 E CB 0.978 30.753 29.700 0.126 0.000 1.204 452 E HN 0.584 nan 8.360 nan 0.000 0.425 453 T N 0.291 114.905 114.554 0.100 0.000 2.685 453 T HA -0.259 4.090 4.350 -0.000 0.000 0.268 453 T C 1.816 176.633 174.700 0.195 0.000 1.034 453 T CA 2.092 64.261 62.100 0.115 0.000 1.149 453 T CB -0.475 68.452 68.868 0.099 0.000 0.860 453 T HN 0.562 nan 8.240 nan 0.000 0.449 454 Y N 1.369 121.814 120.300 0.241 0.000 2.274 454 Y HA -0.009 4.541 4.550 -0.000 0.000 0.290 454 Y C 2.456 178.520 175.900 0.273 0.000 1.145 454 Y CA 0.860 59.132 58.100 0.288 0.000 1.203 454 Y CB -0.937 37.730 38.460 0.345 0.000 0.984 454 Y HN 0.039 nan 8.280 nan 0.000 0.533 455 S N 0.157 115.620 115.700 -0.395 0.000 2.368 455 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 455 S C 1.473 175.966 174.600 -0.178 0.000 1.030 455 S CA 1.550 59.555 58.200 -0.325 0.000 0.999 455 S CB -0.618 62.462 63.200 -0.200 0.000 0.844 455 S HN 0.696 nan 8.310 nan 0.000 0.459 456 W N 1.684 122.856 121.300 -0.213 0.000 2.358 456 W HA 0.072 4.732 4.660 -0.000 0.000 0.303 456 W C 2.069 178.541 176.519 -0.078 0.000 1.208 456 W CA 0.236 57.539 57.345 -0.070 0.000 1.274 456 W CB -0.706 28.706 29.460 -0.081 0.000 1.138 456 W HN 0.230 nan 8.180 nan 0.000 0.515 457 I N -0.503 120.169 120.570 0.169 0.000 2.179 457 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 457 I C 2.274 178.344 176.117 -0.078 0.000 1.088 457 I CA 1.717 63.044 61.300 0.044 0.000 1.357 457 I CB -0.964 37.100 38.000 0.106 0.000 1.051 457 I HN -0.086 nan 8.210 nan 0.000 0.409 458 T N 0.809 115.400 114.554 0.061 0.000 2.684 458 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 458 T C 1.919 176.521 174.700 -0.164 0.000 1.036 458 T CA 1.326 63.519 62.100 0.154 0.000 1.148 458 T CB -0.114 68.968 68.868 0.357 0.000 0.863 458 T HN 0.139 nan 8.240 nan 0.000 0.436 459 M N 1.588 120.996 119.600 -0.321 0.000 2.086 459 M HA -0.030 4.450 4.480 -0.000 0.000 0.261 459 M C 2.113 178.095 176.300 -0.531 0.000 1.067 459 M CA 1.249 56.217 55.300 -0.554 0.000 1.116 459 M CB -1.534 30.563 32.600 -0.837 0.000 1.348 459 M HN 0.159 nan 8.290 nan 0.000 0.407 460 N N 0.700 119.184 118.700 -0.359 0.000 2.043 460 N HA -0.096 4.643 4.740 -0.000 0.000 0.193 460 N C 1.916 177.212 175.510 -0.357 0.000 1.037 460 N CA 1.253 54.123 53.050 -0.299 0.000 0.851 460 N CB -0.520 37.864 38.487 -0.172 0.000 1.027 460 N HN 0.348 nan 8.380 nan 0.000 0.422 461 L N -0.085 120.885 121.223 -0.421 0.000 2.056 461 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 461 L C 2.389 178.942 176.870 -0.528 0.000 1.078 461 L CA 1.276 55.834 54.840 -0.471 0.000 0.749 461 L CB -0.871 40.692 42.059 -0.825 0.000 0.901 461 L HN 0.231 nan 8.230 nan 0.000 0.433 462 G N 0.042 108.346 108.800 -0.828 0.000 2.402 462 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 462 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 462 G C 1.610 175.728 174.900 -1.302 0.000 1.162 462 G CA 0.441 44.521 45.100 -1.701 0.000 0.777 462 G HN 0.235 nan 8.290 nan 0.000 0.539 463 L N -0.321 120.406 121.223 -0.827 0.000 2.270 463 L HA 0.274 4.614 4.340 -0.000 0.000 0.210 463 L C 2.039 178.779 176.870 -0.216 0.000 1.104 463 L CA 0.778 55.403 54.840 -0.359 0.000 0.804 463 L CB 0.188 42.055 42.059 -0.320 0.000 0.937 463 L HN 0.426 nan 8.230 nan 0.000 0.450 464 G N 0.015 108.670 108.800 -0.241 0.000 2.164 464 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.154 464 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.154 464 G C 0.112 174.945 174.900 -0.111 0.000 1.014 464 G CA -0.666 44.353 45.100 -0.136 0.000 0.683 464 G HN 0.150 nan 8.290 nan 0.000 0.500 465 I N 1.990 122.473 120.570 -0.144 0.000 2.276 465 I HA 0.417 4.586 4.170 -0.000 0.000 0.290 465 I C 0.071 176.123 176.117 -0.108 0.000 1.109 465 I CA -0.665 60.570 61.300 -0.107 0.000 1.229 465 I CB 1.052 38.989 38.000 -0.105 0.000 1.452 465 I HN -0.134 nan 8.210 nan 0.000 0.497 466 V N 7.532 127.401 119.914 -0.076 0.000 2.628 466 V HA 0.408 4.528 4.120 -0.000 0.000 0.306 466 V C -2.148 173.920 176.094 -0.043 0.000 1.045 466 V CA -1.921 60.344 62.300 -0.057 0.000 0.905 466 V CB 1.979 33.786 31.823 -0.026 0.000 0.997 466 V HN 0.480 nan 8.190 nan 0.000 0.436 467 P HA 0.115 nan 4.420 nan 0.000 0.269 467 P C 0.823 178.109 177.300 -0.023 0.000 1.209 467 P CA 0.089 63.175 63.100 -0.023 0.000 0.776 467 P CB 0.789 32.486 31.700 -0.003 0.000 0.876 468 E N 1.611 121.801 120.200 -0.017 0.000 2.085 468 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 468 E C 0.295 176.877 176.600 -0.030 0.000 0.994 468 E CA 1.296 57.684 56.400 -0.021 0.000 0.801 468 E CB 0.227 29.919 29.700 -0.013 0.000 0.743 468 E HN 0.344 nan 8.360 nan 0.000 0.453 469 R N -0.530 119.954 120.500 -0.027 0.000 2.836 469 R HA 0.352 4.691 4.340 -0.000 0.000 0.269 469 R C -2.595 173.676 176.300 -0.047 0.000 1.010 469 R CA -2.007 54.067 56.100 -0.043 0.000 0.930 469 R CB 1.636 31.912 30.300 -0.040 0.000 1.218 469 R HN -0.067 nan 8.270 nan 0.000 0.473 470 P HA 0.050 nan 4.420 nan 0.000 0.271 470 P C -0.935 176.310 177.300 -0.093 0.000 1.233 470 P CA -0.378 62.668 63.100 -0.091 0.000 0.789 470 P CB 0.495 32.125 31.700 -0.117 0.000 0.951 471 R N 2.200 122.621 120.500 -0.132 0.000 2.458 471 R HA 0.036 4.376 4.340 -0.000 0.000 0.303 471 R C -1.458 174.746 176.300 -0.159 0.000 1.013 471 R CA -0.946 55.072 56.100 -0.137 0.000 1.026 471 R CB -0.202 29.995 30.300 -0.170 0.000 0.948 471 R HN 0.369 nan 8.270 nan 0.000 0.417 472 P HA -0.184 nan 4.420 nan 0.000 0.218 472 P C 0.702 178.016 177.300 0.022 0.000 1.148 472 P CA 1.389 64.470 63.100 -0.030 0.000 0.822 472 P CB 0.175 31.878 31.700 0.005 0.000 0.784 473 A N -0.360 122.438 122.820 -0.036 0.000 1.948 473 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 473 A C 2.147 179.676 177.584 -0.092 0.000 1.177 473 A CA 1.569 53.593 52.037 -0.021 0.000 0.636 473 A CB -1.682 17.304 19.000 -0.023 0.000 0.815 473 A HN 0.165 nan 8.150 nan 0.000 0.449 474 L N -0.681 120.345 121.223 -0.329 0.000 2.141 474 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 474 L C 2.295 179.097 176.870 -0.113 0.000 1.094 474 L CA 0.698 55.294 54.840 -0.406 0.000 0.763 474 L CB -0.531 41.137 42.059 -0.652 0.000 0.908 474 L HN 0.385 nan 8.230 nan 0.000 0.437 475 L N -0.871 120.298 121.223 -0.091 0.000 2.275 475 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 475 L C 2.043 178.827 176.870 -0.143 0.000 1.119 475 L CA 0.831 55.602 54.840 -0.114 0.000 0.790 475 L CB -0.718 41.232 42.059 -0.182 0.000 0.919 475 L HN 0.432 nan 8.230 nan 0.000 0.443 476 H N -0.902 118.150 119.070 -0.029 0.000 2.533 476 H HA 0.260 4.816 4.556 -0.000 0.000 0.271 476 H C 0.435 175.781 175.328 0.030 0.000 1.000 476 H CA 0.217 56.265 56.048 -0.001 0.000 1.149 476 H CB 0.272 30.032 29.762 -0.004 0.000 1.375 476 H HN 0.323 nan 8.280 nan 0.000 0.582 477 M N 0.263 119.948 119.600 0.141 0.000 2.662 477 M HA 0.138 4.618 4.480 -0.000 0.000 0.310 477 M C -0.435 175.963 176.300 0.163 0.000 1.204 477 M CA -1.067 54.339 55.300 0.177 0.000 0.891 477 M CB 2.314 35.064 32.600 0.250 0.000 1.732 477 M HN -0.163 nan 8.290 nan 0.000 0.467 478 D N 3.067 123.548 120.400 0.136 0.000 2.358 478 D HA 0.136 4.775 4.640 -0.000 0.000 0.258 478 D C -1.581 174.745 176.300 0.042 0.000 1.223 478 D CA -1.485 52.558 54.000 0.073 0.000 0.886 478 D CB 0.928 41.752 40.800 0.040 0.000 1.120 478 D HN 0.248 nan 8.370 nan 0.000 0.482 479 P HA 0.028 nan 4.420 nan 0.000 0.241 479 P C 0.930 178.128 177.300 -0.170 0.000 1.191 479 P CA 0.220 63.284 63.100 -0.059 0.000 0.771 479 P CB 0.269 31.997 31.700 0.047 0.000 0.929 480 A N 1.649 124.403 122.820 -0.109 0.000 1.883 480 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 480 A C 0.009 177.501 177.584 -0.153 0.000 1.186 480 A CA 1.739 53.717 52.037 -0.097 0.000 0.624 480 A CB -2.106 16.861 19.000 -0.055 0.000 0.822 480 A HN 0.206 nan 8.150 nan 0.000 0.444 481 P HA -0.117 nan 4.420 nan 0.000 0.215 481 P C 1.726 178.817 177.300 -0.349 0.000 1.153 481 P CA 1.919 64.882 63.100 -0.228 0.000 0.853 481 P CB -0.121 31.455 31.700 -0.206 0.000 0.788 482 A N -0.549 121.909 122.820 -0.603 0.000 1.877 482 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 482 A C 2.220 179.626 177.584 -0.297 0.000 1.186 482 A CA 1.403 52.991 52.037 -0.749 0.000 0.620 482 A CB -1.659 16.524 19.000 -1.363 0.000 0.822 482 A HN 0.098 nan 8.150 nan 0.000 0.443 483 L N -0.670 120.492 121.223 -0.102 0.000 2.042 483 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 483 L C 3.082 179.982 176.870 0.049 0.000 1.076 483 L CA 1.151 56.046 54.840 0.092 0.000 0.749 483 L CB -0.565 41.516 42.059 0.036 0.000 0.893 483 L HN 0.451 nan 8.230 nan 0.000 0.432 484 A N -0.292 122.500 122.820 -0.046 0.000 1.933 484 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 484 A C 2.199 179.752 177.584 -0.050 0.000 1.175 484 A CA 1.852 53.865 52.037 -0.040 0.000 0.628 484 A CB -0.416 18.547 19.000 -0.062 0.000 0.814 484 A HN 0.372 nan 8.150 nan 0.000 0.444 485 E N -0.465 119.652 120.200 -0.137 0.000 2.072 485 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 485 E C 1.556 178.076 176.600 -0.134 0.000 0.985 485 E CA 1.302 57.592 56.400 -0.183 0.000 0.801 485 E CB -0.501 29.007 29.700 -0.320 0.000 0.750 485 E HN 0.641 nan 8.360 nan 0.000 0.452 486 F N 0.762 120.692 119.950 -0.034 0.000 2.161 486 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 486 F C 2.419 178.216 175.800 -0.006 0.000 1.089 486 F CA 1.102 59.099 58.000 -0.005 0.000 1.282 486 F CB 0.018 39.030 39.000 0.020 0.000 1.010 486 F HN 0.069 nan 8.300 nan 0.000 0.485 487 E N 0.153 120.453 120.200 0.167 0.000 2.072 487 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 487 E C 2.288 178.923 176.600 0.058 0.000 0.985 487 E CA 0.767 57.221 56.400 0.090 0.000 0.801 487 E CB -0.398 29.335 29.700 0.056 0.000 0.750 487 E HN 0.388 nan 8.360 nan 0.000 0.452 488 R N 0.290 120.811 120.500 0.035 0.000 2.096 488 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 488 R C 2.610 178.934 176.300 0.039 0.000 1.139 488 R CA 1.068 57.183 56.100 0.024 0.000 0.952 488 R CB -0.398 29.904 30.300 0.004 0.000 0.854 488 R HN 0.156 nan 8.270 nan 0.000 0.436 489 L N -0.304 120.949 121.223 0.051 0.000 2.046 489 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 489 L C 2.755 179.661 176.870 0.061 0.000 1.077 489 L CA 1.335 56.214 54.840 0.064 0.000 0.747 489 L CB -0.344 41.759 42.059 0.074 0.000 0.896 489 L HN 0.168 nan 8.230 nan 0.000 0.432 490 R N 0.018 120.559 120.500 0.067 0.000 2.081 490 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 490 R C 2.478 178.795 176.300 0.030 0.000 1.131 490 R CA 1.412 57.539 56.100 0.046 0.000 0.960 490 R CB -0.107 30.222 30.300 0.049 0.000 0.856 490 R HN 0.169 nan 8.270 nan 0.000 0.436 491 R N 0.538 121.057 120.500 0.030 0.000 2.070 491 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 491 R C 1.991 178.300 176.300 0.014 0.000 1.137 491 R CA 2.166 58.278 56.100 0.020 0.000 0.945 491 R CB -0.111 30.201 30.300 0.020 0.000 0.845 491 R HN 0.322 nan 8.270 nan 0.000 0.430 492 E N -1.024 119.189 120.200 0.021 0.000 2.118 492 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 492 E C 1.864 178.461 176.600 -0.005 0.000 0.992 492 E CA 1.131 57.542 56.400 0.018 0.000 0.804 492 E CB -0.219 29.507 29.700 0.043 0.000 0.741 492 E HN 0.584 nan 8.360 nan 0.000 0.458 493 G N 1.622 110.420 108.800 -0.004 0.000 2.459 493 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 493 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 493 G C 1.117 175.994 174.900 -0.039 0.000 1.183 493 G CA 1.173 46.253 45.100 -0.033 0.000 0.776 493 G HN 0.137 nan 8.290 nan 0.000 0.552 494 D N 0.833 121.223 120.400 -0.016 0.000 2.133 494 D HA -0.113 4.526 4.640 -0.000 0.000 0.192 494 D C 2.444 178.729 176.300 -0.024 0.000 1.001 494 D CA 1.320 55.311 54.000 -0.015 0.000 0.844 494 D CB -0.338 40.461 40.800 -0.002 0.000 0.944 494 D HN 0.514 nan 8.370 nan 0.000 0.447 495 E N 0.051 120.239 120.200 -0.021 0.000 2.106 495 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 495 E C 2.455 179.031 176.600 -0.040 0.000 0.984 495 E CA 0.288 56.675 56.400 -0.022 0.000 0.806 495 E CB -0.056 29.638 29.700 -0.010 0.000 0.750 495 E HN 0.277 nan 8.360 nan 0.000 0.458 496 L N 1.094 122.278 121.223 -0.064 0.000 2.056 496 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 496 L C 2.697 179.492 176.870 -0.124 0.000 1.078 496 L CA 0.913 55.687 54.840 -0.109 0.000 0.749 496 L CB -0.514 41.432 42.059 -0.189 0.000 0.901 496 L HN 0.252 nan 8.230 nan 0.000 0.433 497 I N -2.774 117.730 120.570 -0.110 0.000 2.493 497 I HA -0.117 4.053 4.170 -0.000 0.000 0.254 497 I C 2.452 178.534 176.117 -0.059 0.000 1.160 497 I CA 1.289 62.532 61.300 -0.094 0.000 1.445 497 I CB -0.490 37.465 38.000 -0.076 0.000 1.086 497 I HN 0.051 nan 8.210 nan 0.000 0.433 498 A N 1.168 123.962 122.820 -0.044 0.000 2.016 498 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 498 A C 2.438 180.007 177.584 -0.026 0.000 1.162 498 A CA 1.264 53.284 52.037 -0.027 0.000 0.662 498 A CB -0.544 18.445 19.000 -0.018 0.000 0.812 498 A HN 0.578 nan 8.150 nan 0.000 0.450 499 A N -0.951 121.847 122.820 -0.036 0.000 2.063 499 A HA 0.484 4.804 4.320 -0.000 0.000 0.211 499 A C 0.860 178.423 177.584 -0.034 0.000 1.177 499 A CA -0.053 51.967 52.037 -0.028 0.000 0.759 499 A CB -0.140 18.845 19.000 -0.025 0.000 0.857 499 A HN 0.373 nan 8.150 nan 0.000 0.468 500 L N 1.878 123.065 121.223 -0.061 0.000 2.350 500 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 500 L C -1.976 174.868 176.870 -0.043 0.000 1.099 500 L CA -2.129 52.666 54.840 -0.076 0.000 0.808 500 L CB 1.037 43.009 42.059 -0.147 0.000 1.149 500 L HN 0.159 nan 8.230 nan 0.000 0.442 501 P HA 0.094 nan 4.420 nan 0.000 0.274 501 P C -0.626 176.688 177.300 0.023 0.000 1.256 501 P CA -0.539 62.579 63.100 0.030 0.000 0.795 501 P CB 0.910 32.665 31.700 0.093 0.000 1.038 502 S N -0.366 115.371 115.700 0.061 0.000 2.600 502 S HA 0.005 4.475 4.470 -0.000 0.000 0.265 502 S C 1.591 176.261 174.600 0.115 0.000 1.325 502 S CA -0.231 58.012 58.200 0.072 0.000 1.002 502 S CB -0.280 62.979 63.200 0.098 0.000 0.921 502 S HN 0.731 nan 8.310 nan 0.000 0.554 503 C N 1.635 121.006 119.300 0.119 0.000 2.393 503 C HA -0.142 4.318 4.460 -0.000 0.000 0.276 503 C C 2.312 177.466 174.990 0.274 0.000 1.215 503 C CA 1.544 60.677 59.018 0.192 0.000 1.743 503 C CB -1.896 25.951 27.740 0.178 0.000 2.044 503 C HN 0.964 nan 8.230 nan 0.000 0.464 504 Y N 1.408 121.795 120.300 0.145 0.000 2.145 504 Y HA -0.144 4.406 4.550 -0.000 0.000 0.286 504 Y C 2.404 178.406 175.900 0.170 0.000 1.145 504 Y CA 2.449 60.643 58.100 0.156 0.000 1.148 504 Y CB -0.543 37.944 38.460 0.045 0.000 0.981 504 Y HN 0.481 nan 8.280 nan 0.000 0.507 505 E N -1.077 119.262 120.200 0.232 0.000 2.049 505 E HA -0.337 4.013 4.350 -0.000 0.000 0.198 505 E C 1.970 178.600 176.600 0.050 0.000 1.007 505 E CA 1.902 58.384 56.400 0.137 0.000 0.809 505 E CB -0.564 29.221 29.700 0.140 0.000 0.749 505 E HN 0.633 nan 8.360 nan 0.000 0.450 506 Y N 0.994 121.303 120.300 0.014 0.000 2.181 506 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 506 Y C 1.945 177.834 175.900 -0.019 0.000 1.146 506 Y CA 1.378 59.481 58.100 0.006 0.000 1.164 506 Y CB -0.121 38.349 38.460 0.017 0.000 0.982 506 Y HN -0.027 nan 8.280 nan 0.000 0.515 507 L N -0.504 120.721 121.223 0.004 0.000 2.046 507 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 507 L C 2.781 179.430 176.870 -0.368 0.000 1.077 507 L CA 1.168 55.898 54.840 -0.183 0.000 0.747 507 L CB -0.999 41.030 42.059 -0.051 0.000 0.896 507 L HN 0.318 nan 8.230 nan 0.000 0.432 508 A N 0.054 122.685 122.820 -0.314 0.000 1.940 508 A HA -0.247 4.072 4.320 -0.000 0.000 0.219 508 A C 2.478 179.932 177.584 -0.217 0.000 1.176 508 A CA 2.098 53.996 52.037 -0.231 0.000 0.631 508 A CB -0.738 18.119 19.000 -0.237 0.000 0.814 508 A HN 0.530 nan 8.150 nan 0.000 0.446 509 S N -0.152 115.385 115.700 -0.271 0.000 2.515 509 S HA 0.012 4.482 4.470 -0.000 0.000 0.231 509 S C 1.414 175.824 174.600 -0.317 0.000 0.987 509 S CA 0.977 59.021 58.200 -0.260 0.000 0.936 509 S CB -0.657 62.388 63.200 -0.260 0.000 0.766 509 S HN 0.922 nan 8.310 nan 0.000 0.528 510 I N -2.911 117.420 120.570 -0.400 0.000 4.154 510 I HA 0.320 4.489 4.170 -0.000 0.000 0.334 510 I C 0.349 176.285 176.117 -0.303 0.000 1.371 510 I CA -0.749 60.340 61.300 -0.350 0.000 1.110 510 I CB -0.014 37.742 38.000 -0.406 0.000 1.085 510 I HN 0.009 nan 8.210 nan 0.000 0.398 511 Q N 0.000 119.608 119.800 -0.320 0.000 2.315 511 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 511 Q CA 0.000 55.620 55.803 -0.305 0.000 1.022 511 Q CB 0.000 28.569 28.738 -0.281 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481