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 1fwd_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVAHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.619 174.600 0.032 0.000 1.055 2 S CA 0.000 58.222 58.200 0.036 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 N N 0.022 118.740 118.700 0.031 0.000 2.284 3 N HA 0.761 5.501 4.740 -0.000 0.000 0.289 3 N C -1.819 173.714 175.510 0.038 0.000 1.179 3 N CA -0.374 52.687 53.050 0.019 0.000 0.774 3 N CB 2.537 41.028 38.487 0.007 0.000 1.548 3 N HN 0.706 nan 8.380 nan 0.000 0.473 4 I N 0.597 121.189 120.570 0.037 0.000 2.752 4 I HA 0.220 4.390 4.170 -0.000 0.000 0.295 4 I C -0.140 176.009 176.117 0.052 0.000 1.219 4 I CA -0.450 60.896 61.300 0.076 0.000 1.030 4 I CB 1.925 40.026 38.000 0.168 0.000 1.259 4 I HN 0.623 nan 8.210 nan 0.000 0.423 5 S N 6.095 121.830 115.700 0.058 0.000 2.593 5 S HA 0.335 4.805 4.470 -0.000 0.000 0.269 5 S C 1.022 175.665 174.600 0.071 0.000 1.334 5 S CA -0.399 57.825 58.200 0.040 0.000 1.015 5 S CB 1.511 64.732 63.200 0.035 0.000 0.912 5 S HN 0.815 nan 8.310 nan 0.000 0.541 6 R N 0.335 120.854 120.500 0.033 0.000 2.096 6 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 6 R C 2.419 178.794 176.300 0.125 0.000 1.127 6 R CA 1.712 57.843 56.100 0.052 0.000 0.968 6 R CB -0.445 29.853 30.300 -0.003 0.000 0.861 6 R HN 0.799 nan 8.270 nan 0.000 0.440 7 Q N 0.619 120.471 119.800 0.087 0.000 2.046 7 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 7 Q C 1.867 177.922 176.000 0.092 0.000 0.975 7 Q CA 2.076 57.928 55.803 0.083 0.000 0.836 7 Q CB -0.283 28.486 28.738 0.052 0.000 0.896 7 Q HN 0.297 nan 8.270 nan 0.000 0.428 8 A N -0.669 122.204 122.820 0.088 0.000 1.933 8 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 8 A C 2.054 179.692 177.584 0.091 0.000 1.175 8 A CA 1.485 53.562 52.037 0.066 0.000 0.628 8 A CB -1.088 17.950 19.000 0.062 0.000 0.814 8 A HN 0.623 nan 8.150 nan 0.000 0.444 9 Y N 0.518 120.863 120.300 0.075 0.000 2.145 9 Y HA -0.126 4.424 4.550 -0.000 0.000 0.286 9 Y C 2.681 178.685 175.900 0.175 0.000 1.145 9 Y CA 1.558 59.764 58.100 0.177 0.000 1.148 9 Y CB -0.414 38.124 38.460 0.130 0.000 0.981 9 Y HN 0.315 nan 8.280 nan 0.000 0.507 10 A N 0.017 123.009 122.820 0.287 0.000 1.933 10 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 10 A C 1.836 179.448 177.584 0.046 0.000 1.175 10 A CA 2.033 54.186 52.037 0.194 0.000 0.628 10 A CB -0.801 18.303 19.000 0.173 0.000 0.814 10 A HN 0.551 nan 8.150 nan 0.000 0.444 11 D N -0.897 119.502 120.400 -0.001 0.000 2.219 11 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 11 D C 1.904 178.102 176.300 -0.170 0.000 0.970 11 D CA 1.149 55.114 54.000 -0.058 0.000 0.851 11 D CB -0.190 40.583 40.800 -0.045 0.000 0.943 11 D HN 0.500 nan 8.370 nan 0.000 0.488 12 M N -1.442 117.961 119.600 -0.328 0.000 2.429 12 M HA 0.074 4.554 4.480 -0.000 0.000 0.265 12 M C 0.726 176.505 176.300 -0.868 0.000 1.120 12 M CA 0.833 55.717 55.300 -0.694 0.000 1.173 12 M CB 0.382 32.328 32.600 -1.090 0.000 1.343 12 M HN -0.090 nan 8.290 nan 0.000 0.464 13 F N -0.169 119.627 119.950 -0.257 0.000 2.706 13 F HA 0.467 4.994 4.527 -0.000 0.000 0.313 13 F C 1.008 176.777 175.800 -0.051 0.000 1.096 13 F CA -0.043 57.836 58.000 -0.202 0.000 1.219 13 F CB 0.348 39.103 39.000 -0.408 0.000 1.051 13 F HN 0.207 nan 8.300 nan 0.000 0.568 14 G N 1.546 110.406 108.800 0.100 0.000 2.712 14 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.683 14 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.683 14 G C -2.983 172.050 174.900 0.223 0.000 1.320 14 G CA -1.324 43.860 45.100 0.140 0.000 0.847 14 G HN -0.052 nan 8.290 nan 0.000 0.553 15 P HA 0.435 nan 4.420 nan 0.000 0.272 15 P C 0.097 177.548 177.300 0.251 0.000 1.230 15 P CA 0.437 63.664 63.100 0.212 0.000 0.788 15 P CB 1.610 33.394 31.700 0.139 0.000 0.949 16 T N -0.459 114.230 114.554 0.224 0.000 2.724 16 T HA 0.281 4.631 4.350 -0.000 0.000 0.274 16 T C -0.471 174.303 174.700 0.125 0.000 0.984 16 T CA -0.788 61.432 62.100 0.201 0.000 1.024 16 T CB 0.609 69.600 68.868 0.206 0.000 1.320 16 T HN 0.100 nan 8.240 nan 0.000 0.555 17 V N 2.266 122.250 119.914 0.117 0.000 2.644 17 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 17 V C 1.844 177.973 176.094 0.057 0.000 1.058 17 V CA 1.739 64.089 62.300 0.083 0.000 1.228 17 V CB -0.267 31.606 31.823 0.083 0.000 0.861 17 V HN 1.322 nan 8.190 nan 0.000 0.484 18 G N 3.696 112.526 108.800 0.051 0.000 2.234 18 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.235 18 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.235 18 G C -0.039 174.884 174.900 0.040 0.000 0.997 18 G CA 0.036 45.157 45.100 0.035 0.000 0.623 18 G HN 0.665 nan 8.290 nan 0.000 0.514 19 D N 1.345 121.781 120.400 0.059 0.000 2.341 19 D HA 0.540 5.180 4.640 -0.000 0.000 0.245 19 D C 0.584 176.938 176.300 0.090 0.000 1.106 19 D CA 0.391 54.435 54.000 0.074 0.000 0.905 19 D CB 0.972 41.830 40.800 0.096 0.000 1.202 19 D HN 0.411 nan 8.370 nan 0.000 0.426 20 K N 0.253 120.728 120.400 0.125 0.000 2.259 20 K HA 0.659 4.979 4.320 -0.000 0.000 0.249 20 K C -0.992 175.779 176.600 0.287 0.000 0.942 20 K CA -0.960 55.452 56.287 0.208 0.000 0.816 20 K CB 2.278 34.916 32.500 0.230 0.000 1.155 20 K HN 0.082 nan 8.250 nan 0.000 0.428 21 V N 1.805 121.848 119.914 0.215 0.000 2.638 21 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 21 V C -0.450 175.479 176.094 -0.275 0.000 1.052 21 V CA -1.014 61.293 62.300 0.011 0.000 0.885 21 V CB 1.677 33.459 31.823 -0.068 0.000 0.999 21 V HN 0.703 nan 8.190 nan 0.000 0.424 22 R N 4.045 124.126 120.500 -0.698 0.000 2.340 22 R HA 0.485 4.825 4.340 -0.000 0.000 0.300 22 R C -0.887 175.036 176.300 -0.628 0.000 1.069 22 R CA -0.516 54.914 56.100 -1.116 0.000 0.984 22 R CB 0.570 30.049 30.300 -1.368 0.000 1.003 22 R HN 0.725 nan 8.270 nan 0.000 0.459 23 L N 6.365 127.235 121.223 -0.589 0.000 2.342 23 L HA 0.233 4.573 4.340 -0.000 0.000 0.285 23 L C 1.143 177.815 176.870 -0.330 0.000 1.095 23 L CA 0.322 54.856 54.840 -0.510 0.000 0.843 23 L CB 0.494 42.163 42.059 -0.649 0.000 1.201 23 L HN 1.135 nan 8.230 nan 0.000 0.445 24 A N 4.184 126.865 122.820 -0.231 0.000 5.483 24 A HA -0.316 4.004 4.320 -0.000 0.000 0.309 24 A C 0.772 178.263 177.584 -0.154 0.000 1.898 24 A CA 1.461 53.404 52.037 -0.157 0.000 0.716 24 A CB -1.081 17.813 19.000 -0.177 0.000 1.309 24 A HN 0.951 nan 8.150 nan 0.000 0.380 25 D N 0.015 120.369 120.400 -0.076 0.000 2.525 25 D HA 0.355 4.995 4.640 -0.000 0.000 0.229 25 D C 0.662 176.890 176.300 -0.121 0.000 1.202 25 D CA 1.004 54.952 54.000 -0.087 0.000 0.828 25 D CB -0.981 39.806 40.800 -0.022 0.000 1.008 25 D HN 1.096 nan 8.370 nan 0.000 0.493 26 T N -2.731 111.732 114.554 -0.151 0.000 2.852 26 T HA 0.276 4.626 4.350 -0.000 0.000 0.281 26 T C 0.766 175.492 174.700 0.045 0.000 0.993 26 T CA -0.497 61.554 62.100 -0.081 0.000 0.933 26 T CB 1.602 70.456 68.868 -0.023 0.000 1.187 26 T HN -0.219 nan 8.240 nan 0.000 0.559 27 E N 0.036 120.420 120.200 0.307 0.000 2.444 27 E HA 0.286 4.636 4.350 -0.000 0.000 0.191 27 E C -0.099 176.595 176.600 0.156 0.000 1.041 27 E CA -0.104 56.416 56.400 0.199 0.000 0.883 27 E CB -0.164 29.631 29.700 0.159 0.000 1.024 27 E HN 0.540 nan 8.360 nan 0.000 0.470 28 L N 0.598 121.829 121.223 0.014 0.000 2.305 28 L HA 0.291 4.630 4.340 -0.000 0.000 0.281 28 L C -0.414 176.355 176.870 -0.169 0.000 1.085 28 L CA -0.401 54.435 54.840 -0.006 0.000 0.813 28 L CB 0.500 42.525 42.059 -0.058 0.000 1.157 28 L HN -0.084 nan 8.230 nan 0.000 0.436 29 W N 4.562 125.816 121.300 -0.076 0.000 2.702 29 W HA 0.641 5.300 4.660 -0.000 0.000 0.331 29 W C -0.254 176.205 176.519 -0.100 0.000 1.049 29 W CA -0.486 56.806 57.345 -0.090 0.000 1.230 29 W CB 1.567 30.996 29.460 -0.052 0.000 1.408 29 W HN 0.237 nan 8.180 nan 0.000 0.492 30 I N -0.389 120.228 120.570 0.078 0.000 2.562 30 I HA 0.664 4.834 4.170 -0.000 0.000 0.301 30 I C -0.596 175.558 176.117 0.063 0.000 1.003 30 I CA -1.121 60.184 61.300 0.008 0.000 1.127 30 I CB 2.219 40.141 38.000 -0.130 0.000 1.304 30 I HN 0.418 nan 8.210 nan 0.000 0.446 31 E N 4.301 124.529 120.200 0.048 0.000 2.187 31 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 31 E C -1.288 175.334 176.600 0.036 0.000 0.896 31 E CA -0.913 55.519 56.400 0.054 0.000 0.766 31 E CB 2.321 32.051 29.700 0.050 0.000 1.142 31 E HN 0.616 nan 8.360 nan 0.000 0.408 32 V N 5.189 125.130 119.914 0.045 0.000 2.458 32 V HA -0.051 4.069 4.120 -0.000 0.000 0.287 32 V C 0.994 177.118 176.094 0.050 0.000 1.009 32 V CA 0.696 63.024 62.300 0.047 0.000 1.091 32 V CB 0.588 32.454 31.823 0.072 0.000 0.960 32 V HN 0.844 nan 8.190 nan 0.000 0.476 33 E N 2.341 122.568 120.200 0.046 0.000 2.170 33 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 33 E C 0.184 176.822 176.600 0.064 0.000 0.981 33 E CA 0.521 56.954 56.400 0.054 0.000 0.830 33 E CB 0.361 30.096 29.700 0.057 0.000 0.775 33 E HN 0.766 nan 8.360 nan 0.000 0.470 34 D N -0.772 119.671 120.400 0.070 0.000 2.623 34 D HA 0.182 4.822 4.640 -0.000 0.000 0.241 34 D C -2.012 174.331 176.300 0.072 0.000 1.241 34 D CA -0.568 53.474 54.000 0.071 0.000 0.788 34 D CB 1.947 42.798 40.800 0.084 0.000 1.413 34 D HN -0.208 nan 8.370 nan 0.000 0.429 35 D N 2.046 122.475 120.400 0.049 0.000 2.686 35 D HA 0.224 4.864 4.640 -0.000 0.000 0.249 35 D C 0.008 176.294 176.300 -0.022 0.000 1.260 35 D CA -0.401 53.620 54.000 0.035 0.000 0.910 35 D CB 1.519 42.345 40.800 0.044 0.000 1.323 35 D HN 0.127 nan 8.370 nan 0.000 0.561 36 L N 2.525 123.750 121.223 0.003 0.000 2.612 36 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 36 L C 1.390 178.225 176.870 -0.059 0.000 1.140 36 L CA 0.485 55.315 54.840 -0.016 0.000 0.896 36 L CB -0.600 41.476 42.059 0.029 0.000 1.065 36 L HN 0.365 nan 8.230 nan 0.000 0.447 37 T N -1.169 113.317 114.554 -0.112 0.000 2.824 37 T HA 0.337 4.687 4.350 -0.000 0.000 0.277 37 T C 0.137 174.674 174.700 -0.272 0.000 0.975 37 T CA -0.219 61.792 62.100 -0.149 0.000 0.966 37 T CB 0.780 69.578 68.868 -0.118 0.000 1.054 37 T HN 0.070 nan 8.240 nan 0.000 0.533 38 T N 2.822 117.249 114.554 -0.212 0.000 2.809 38 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 38 T C -0.898 173.716 174.700 -0.144 0.000 1.015 38 T CA -0.203 61.777 62.100 -0.199 0.000 0.954 38 T CB -0.095 68.724 68.868 -0.083 0.000 0.950 38 T HN 0.509 nan 8.240 nan 0.000 0.450 39 Y N 1.992 122.274 120.300 -0.030 0.000 2.802 39 Y HA 0.252 4.802 4.550 -0.000 0.000 0.333 39 Y C 1.727 177.614 175.900 -0.022 0.000 1.244 39 Y CA 0.910 58.990 58.100 -0.032 0.000 1.558 39 Y CB 0.150 38.574 38.460 -0.061 0.000 1.233 39 Y HN 1.032 nan 8.280 nan 0.000 0.547 40 G N 2.107 110.987 108.800 0.133 0.000 2.238 40 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 40 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 40 G C 0.560 175.471 174.900 0.018 0.000 0.996 40 G CA -0.142 44.998 45.100 0.068 0.000 0.632 40 G HN 0.541 nan 8.290 nan 0.000 0.503 41 E N 1.036 121.233 120.200 -0.005 0.000 2.558 41 E HA 0.234 4.584 4.350 -0.000 0.000 0.205 41 E C 0.237 176.821 176.600 -0.027 0.000 1.006 41 E CA -0.005 56.390 56.400 -0.009 0.000 0.961 41 E CB 0.498 30.196 29.700 -0.003 0.000 1.044 41 E HN 0.681 nan 8.360 nan 0.000 0.465 42 E N 0.843 120.984 120.200 -0.097 0.000 2.413 42 E HA 0.069 4.419 4.350 -0.000 0.000 0.263 42 E C 0.185 176.802 176.600 0.028 0.000 1.015 42 E CA -0.118 56.221 56.400 -0.101 0.000 0.916 42 E CB 0.877 30.328 29.700 -0.414 0.000 0.947 42 E HN -0.082 nan 8.360 nan 0.000 0.440 43 V N 0.144 120.107 119.914 0.082 0.000 2.465 43 V HA 0.513 4.633 4.120 -0.000 0.000 0.279 43 V C -0.041 176.162 176.094 0.181 0.000 1.045 43 V CA -0.623 61.750 62.300 0.121 0.000 0.938 43 V CB 1.120 33.004 31.823 0.102 0.000 0.986 43 V HN 0.504 nan 8.190 nan 0.000 0.467 44 K N 3.522 124.034 120.400 0.187 0.000 2.468 44 K HA 0.561 4.881 4.320 -0.000 0.000 0.252 44 K C -1.856 174.848 176.600 0.173 0.000 0.932 44 K CA -0.634 55.765 56.287 0.187 0.000 0.794 44 K CB 2.555 35.161 32.500 0.178 0.000 1.241 44 K HN 0.755 nan 8.250 nan 0.000 0.428 45 F N 1.708 121.683 119.950 0.041 0.000 2.450 45 F HA 0.723 5.250 4.527 -0.000 0.000 0.332 45 F C 0.175 175.981 175.800 0.011 0.000 1.093 45 F CA 0.376 58.391 58.000 0.024 0.000 1.003 45 F CB 1.710 40.723 39.000 0.020 0.000 1.151 45 F HN 0.677 nan 8.300 nan 0.000 0.474 46 G N 2.352 110.446 108.800 -1.176 0.000 2.369 46 G HA2 0.343 4.303 3.960 -0.000 0.000 0.293 46 G HA3 0.343 4.303 3.960 -0.000 0.000 0.293 46 G C -0.700 173.877 174.900 -0.538 0.000 1.301 46 G CA -0.510 44.084 45.100 -0.843 0.000 0.913 46 G HN 1.084 nan 8.290 nan 0.000 0.540 47 G N -0.544 108.059 108.800 -0.328 0.000 2.248 47 G HA2 0.528 4.488 3.960 -0.000 0.000 0.260 47 G HA3 0.528 4.488 3.960 -0.000 0.000 0.260 47 G C 1.481 176.292 174.900 -0.147 0.000 1.214 47 G CA 1.837 46.817 45.100 -0.200 0.000 0.979 47 G HN 2.461 nan 8.290 nan 0.000 0.454 48 G N 1.668 110.395 108.800 -0.120 0.000 2.179 48 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 48 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 48 G C 0.822 175.683 174.900 -0.065 0.000 1.010 48 G CA 0.795 45.850 45.100 -0.074 0.000 0.736 48 G HN 0.714 nan 8.290 nan 0.000 0.513 49 K N -0.835 119.507 120.400 -0.096 0.000 2.836 49 K HA 0.607 4.927 4.320 -0.000 0.000 0.300 49 K C 1.947 178.546 176.600 -0.001 0.000 1.004 49 K CA 0.055 56.311 56.287 -0.052 0.000 1.140 49 K CB -0.443 32.006 32.500 -0.085 0.000 1.458 49 K HN 0.089 nan 8.250 nan 0.000 0.550 50 V N 0.738 120.678 119.914 0.043 0.000 2.446 50 V HA -0.009 4.111 4.120 -0.000 0.000 0.244 50 V C 1.366 177.508 176.094 0.080 0.000 1.039 50 V CA 0.920 63.261 62.300 0.067 0.000 1.045 50 V CB -0.242 31.636 31.823 0.092 0.000 0.681 50 V HN 0.419 nan 8.190 nan 0.000 0.459 51 I N 2.547 123.191 120.570 0.123 0.000 2.366 51 I HA 0.163 4.333 4.170 -0.000 0.000 0.302 51 I C 0.320 176.529 176.117 0.154 0.000 1.194 51 I CA 0.675 62.070 61.300 0.159 0.000 1.667 51 I CB -0.694 37.451 38.000 0.242 0.000 1.501 51 I HN 0.238 nan 8.210 nan 0.000 0.776 52 R N 2.482 123.036 120.500 0.090 0.000 2.740 52 R HA 0.263 4.603 4.340 -0.000 0.000 0.273 52 R C -0.873 175.457 176.300 0.050 0.000 0.998 52 R CA -1.198 54.944 56.100 0.069 0.000 0.900 52 R CB 1.749 32.072 30.300 0.039 0.000 1.223 52 R HN 0.243 nan 8.270 nan 0.000 0.466 53 D N 0.463 120.888 120.400 0.041 0.000 2.662 53 D HA 0.012 4.652 4.640 -0.000 0.000 0.233 53 D C 1.226 177.540 176.300 0.024 0.000 1.129 53 D CA 2.619 56.636 54.000 0.029 0.000 0.851 53 D CB 0.366 41.180 40.800 0.023 0.000 1.152 53 D HN 0.692 nan 8.370 nan 0.000 0.507 54 G N 2.714 111.527 108.800 0.022 0.000 2.267 54 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 54 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 54 G C 0.824 175.737 174.900 0.022 0.000 0.998 54 G CA 0.895 46.006 45.100 0.019 0.000 0.620 54 G HN 0.525 nan 8.290 nan 0.000 0.529 55 M N -0.650 118.966 119.600 0.028 0.000 2.094 55 M HA 0.463 4.943 4.480 -0.000 0.000 0.163 55 M C 2.502 178.824 176.300 0.037 0.000 1.495 55 M CA 1.027 56.346 55.300 0.031 0.000 1.481 55 M CB -0.361 32.259 32.600 0.033 0.000 0.856 55 M HN 0.131 nan 8.290 nan 0.000 0.650 56 G N -0.054 108.775 108.800 0.047 0.000 2.679 56 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.212 56 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.212 56 G C 0.402 175.332 174.900 0.049 0.000 1.137 56 G CA 0.124 45.256 45.100 0.053 0.000 0.787 56 G HN 0.470 nan 8.290 nan 0.000 0.534 57 Q N 0.056 119.883 119.800 0.045 0.000 2.333 57 Q HA 0.562 4.902 4.340 -0.000 0.000 0.267 57 Q C 0.199 176.214 176.000 0.024 0.000 1.012 57 Q CA -0.677 55.148 55.803 0.035 0.000 0.824 57 Q CB 1.649 30.413 28.738 0.043 0.000 1.290 57 Q HN 0.130 nan 8.270 nan 0.000 0.449 58 G N 1.297 110.105 108.800 0.015 0.000 2.532 58 G HA2 0.134 4.094 3.960 -0.000 0.000 0.291 58 G HA3 0.134 4.094 3.960 -0.000 0.000 0.291 58 G C 0.019 174.922 174.900 0.005 0.000 1.349 58 G CA -0.229 44.878 45.100 0.010 0.000 1.038 58 G HN 0.674 nan 8.290 nan 0.000 0.518 59 Q N -0.116 119.686 119.800 0.003 0.000 2.220 59 Q HA 0.099 4.439 4.340 -0.000 0.000 0.205 59 Q C 1.030 177.028 176.000 -0.004 0.000 0.865 59 Q CA -0.298 55.506 55.803 0.001 0.000 0.960 59 Q CB 0.241 28.980 28.738 0.003 0.000 1.097 59 Q HN 0.647 nan 8.270 nan 0.000 0.493 60 M N -0.609 118.986 119.600 -0.007 0.000 2.226 60 M HA 0.263 4.743 4.480 -0.000 0.000 0.324 60 M C -0.004 176.285 176.300 -0.019 0.000 1.112 60 M CA -0.089 55.203 55.300 -0.012 0.000 1.176 60 M CB 0.229 32.821 32.600 -0.014 0.000 1.430 60 M HN -0.094 nan 8.290 nan 0.000 0.462 61 L N 2.005 123.217 121.223 -0.019 0.000 2.475 61 L HA 0.280 4.620 4.340 -0.000 0.000 0.253 61 L C 1.910 178.759 176.870 -0.035 0.000 1.198 61 L CA -0.166 54.661 54.840 -0.023 0.000 0.814 61 L CB 0.345 42.393 42.059 -0.017 0.000 1.134 61 L HN 1.015 nan 8.230 nan 0.000 0.478 62 A N 1.403 124.200 122.820 -0.038 0.000 1.948 62 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 62 A C 2.266 179.812 177.584 -0.062 0.000 1.177 62 A CA 2.091 54.097 52.037 -0.052 0.000 0.636 62 A CB -0.857 18.115 19.000 -0.046 0.000 0.815 62 A HN 0.910 nan 8.150 nan 0.000 0.449 63 A N -0.740 122.054 122.820 -0.043 0.000 2.070 63 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 63 A C 1.309 178.863 177.584 -0.049 0.000 1.159 63 A CA 1.640 53.654 52.037 -0.038 0.000 0.656 63 A CB -0.279 18.712 19.000 -0.016 0.000 0.800 63 A HN 0.478 nan 8.150 nan 0.000 0.453 64 D N -0.980 119.389 120.400 -0.052 0.000 2.388 64 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 64 D C 0.204 176.450 176.300 -0.090 0.000 1.133 64 D CA 0.568 54.539 54.000 -0.049 0.000 0.831 64 D CB -0.107 40.682 40.800 -0.017 0.000 0.962 64 D HN 0.607 nan 8.370 nan 0.000 0.502 65 C N -1.377 117.836 119.300 -0.145 0.000 3.241 65 C HA 0.760 5.220 4.460 -0.000 0.000 0.312 65 C C 0.290 175.112 174.990 -0.279 0.000 1.350 65 C CA -1.190 57.717 59.018 -0.185 0.000 1.415 65 C CB 1.069 28.746 27.740 -0.105 0.000 1.770 65 C HN 0.011 nan 8.230 nan 0.000 0.466 66 V N -0.064 119.668 119.914 -0.303 0.000 3.003 66 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 66 V C 0.541 176.538 176.094 -0.162 0.000 1.078 66 V CA 0.442 62.559 62.300 -0.305 0.000 1.083 66 V CB 0.674 32.346 31.823 -0.253 0.000 1.039 66 V HN 0.911 nan 8.190 nan 0.000 0.481 67 D N 0.693 121.019 120.400 -0.125 0.000 2.213 67 D HA 0.171 4.811 4.640 -0.000 0.000 0.205 67 D C 0.198 176.457 176.300 -0.068 0.000 0.961 67 D CA 1.205 55.155 54.000 -0.083 0.000 0.853 67 D CB 0.632 41.396 40.800 -0.060 0.000 0.967 67 D HN 0.502 nan 8.370 nan 0.000 0.496 68 L N 0.085 121.277 121.223 -0.052 0.000 2.472 68 L HA 0.480 4.820 4.340 -0.000 0.000 0.260 68 L C -1.711 175.152 176.870 -0.011 0.000 0.963 68 L CA -0.829 53.990 54.840 -0.035 0.000 0.829 68 L CB 2.616 44.666 42.059 -0.015 0.000 1.348 68 L HN -0.276 nan 8.230 nan 0.000 0.408 69 V N 5.505 125.413 119.914 -0.011 0.000 2.638 69 V HA 0.628 4.747 4.120 -0.000 0.000 0.306 69 V C -1.407 174.705 176.094 0.029 0.000 1.052 69 V CA -0.470 61.843 62.300 0.021 0.000 0.885 69 V CB 2.031 33.866 31.823 0.021 0.000 0.999 69 V HN 0.724 nan 8.190 nan 0.000 0.424 70 L N 6.430 127.688 121.223 0.058 0.000 2.276 70 L HA 0.525 4.865 4.340 -0.000 0.000 0.286 70 L C 0.645 177.565 176.870 0.083 0.000 1.024 70 L CA 0.082 54.961 54.840 0.066 0.000 0.826 70 L CB 1.705 43.811 42.059 0.079 0.000 1.211 70 L HN 0.859 nan 8.230 nan 0.000 0.422 71 T N -0.240 114.365 114.554 0.085 0.000 2.869 71 T HA 0.256 4.606 4.350 -0.000 0.000 0.295 71 T C 0.577 175.350 174.700 0.122 0.000 0.987 71 T CA -0.687 61.476 62.100 0.106 0.000 1.109 71 T CB 0.492 69.431 68.868 0.118 0.000 0.932 71 T HN 0.599 nan 8.240 nan 0.000 0.518 72 N N 0.166 118.946 118.700 0.133 0.000 2.705 72 N HA -0.159 4.581 4.740 -0.000 0.000 0.255 72 N C -0.010 175.584 175.510 0.140 0.000 1.008 72 N CA 0.840 53.980 53.050 0.151 0.000 0.742 72 N CB -1.608 36.996 38.487 0.195 0.000 0.906 72 N HN 1.112 nan 8.380 nan 0.000 0.541 73 A N 0.151 123.048 122.820 0.129 0.000 2.316 73 A HA 0.568 4.888 4.320 -0.000 0.000 0.284 73 A C 0.400 178.057 177.584 0.121 0.000 1.115 73 A CA -0.549 51.564 52.037 0.126 0.000 0.812 73 A CB 0.848 19.924 19.000 0.127 0.000 1.064 73 A HN 0.310 nan 8.150 nan 0.000 0.489 74 L N 3.958 125.248 121.223 0.112 0.000 2.272 74 L HA 0.463 4.803 4.340 -0.000 0.000 0.284 74 L C -0.513 176.397 176.870 0.066 0.000 1.045 74 L CA -0.188 54.701 54.840 0.082 0.000 0.842 74 L CB -0.130 41.967 42.059 0.063 0.000 1.224 74 L HN 0.555 nan 8.230 nan 0.000 0.430 75 I N 5.348 125.944 120.570 0.043 0.000 2.441 75 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 75 I C -0.388 175.657 176.117 -0.120 0.000 1.049 75 I CA -0.446 60.852 61.300 -0.003 0.000 1.381 75 I CB 1.195 39.196 38.000 0.001 0.000 1.409 75 I HN 0.240 nan 8.210 nan 0.000 0.523 76 V N 5.776 125.633 119.914 -0.095 0.000 2.349 76 V HA 0.417 4.536 4.120 -0.000 0.000 0.284 76 V C -0.595 175.405 176.094 -0.158 0.000 1.014 76 V CA -0.328 61.886 62.300 -0.144 0.000 0.826 76 V CB 1.490 33.259 31.823 -0.090 0.000 1.009 76 V HN 0.691 nan 8.190 nan 0.000 0.431 77 D N 0.836 121.001 120.400 -0.391 0.000 2.610 77 D HA 0.312 4.952 4.640 -0.000 0.000 0.271 77 D C 0.850 176.911 176.300 -0.398 0.000 1.174 77 D CA -0.416 53.331 54.000 -0.422 0.000 0.949 77 D CB 1.514 41.853 40.800 -0.770 0.000 1.430 77 D HN 0.676 nan 8.370 nan 0.000 0.467 78 H N -0.199 118.790 119.070 -0.134 0.000 2.489 78 H HA -0.045 4.511 4.556 -0.000 0.000 0.293 78 H C 1.403 176.840 175.328 0.182 0.000 1.066 78 H CA 1.759 57.851 56.048 0.073 0.000 1.305 78 H CB -0.315 29.519 29.762 0.120 0.000 1.386 78 H HN 0.500 nan 8.280 nan 0.000 0.551 79 W N 0.394 121.555 121.300 -0.232 0.000 3.077 79 W HA 0.591 5.251 4.660 -0.000 0.000 0.266 79 W C -0.133 176.406 176.519 0.033 0.000 1.300 79 W CA 0.171 57.484 57.345 -0.052 0.000 1.586 79 W CB 0.145 29.484 29.460 -0.202 0.000 1.103 79 W HN 0.391 nan 8.180 nan 0.000 0.652 80 G N 0.921 109.474 108.800 -0.412 0.000 2.325 80 G HA2 0.408 4.368 3.960 -0.000 0.000 0.297 80 G HA3 0.408 4.368 3.960 -0.000 0.000 0.297 80 G C -2.062 172.573 174.900 -0.442 0.000 1.448 80 G CA -1.068 43.879 45.100 -0.255 0.000 0.838 80 G HN 0.048 nan 8.290 nan 0.000 0.579 81 I N 1.517 121.969 120.570 -0.196 0.000 2.537 81 I HA 0.463 4.633 4.170 -0.000 0.000 0.276 81 I C 0.112 176.191 176.117 -0.063 0.000 1.063 81 I CA -0.937 60.270 61.300 -0.155 0.000 1.144 81 I CB 1.367 39.310 38.000 -0.096 0.000 1.252 81 I HN 0.564 nan 8.210 nan 0.000 0.480 82 V N 2.160 122.041 119.914 -0.054 0.000 3.040 82 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 82 V C -0.685 175.453 176.094 0.073 0.000 1.115 82 V CA -1.039 61.291 62.300 0.050 0.000 0.998 82 V CB 2.234 34.141 31.823 0.140 0.000 1.042 82 V HN 0.512 nan 8.190 nan 0.000 0.433 83 K N 1.851 122.309 120.400 0.096 0.000 2.211 83 K HA 0.905 5.225 4.320 -0.000 0.000 0.275 83 K C -0.444 176.224 176.600 0.114 0.000 1.024 83 K CA 0.660 57.014 56.287 0.112 0.000 0.887 83 K CB 0.916 33.494 32.500 0.130 0.000 1.084 83 K HN 1.632 nan 8.250 nan 0.000 0.463 84 A N 3.208 126.101 122.820 0.121 0.000 2.566 84 A HA 0.417 4.737 4.320 -0.000 0.000 0.290 84 A C -1.734 175.920 177.584 0.117 0.000 1.071 84 A CA -0.957 51.149 52.037 0.115 0.000 0.658 84 A CB 0.782 19.863 19.000 0.135 0.000 1.285 84 A HN 0.658 nan 8.150 nan 0.000 0.427 85 D N 0.423 120.886 120.400 0.105 0.000 2.225 85 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 85 D C -0.569 175.801 176.300 0.117 0.000 1.052 85 D CA 0.333 54.396 54.000 0.105 0.000 0.909 85 D CB 1.430 42.285 40.800 0.091 0.000 1.186 85 D HN 0.432 nan 8.370 nan 0.000 0.431 86 I N 0.727 121.368 120.570 0.119 0.000 2.436 86 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 86 I C 0.632 176.826 176.117 0.128 0.000 1.010 86 I CA -0.793 60.586 61.300 0.132 0.000 1.098 86 I CB 2.126 40.208 38.000 0.136 0.000 1.266 86 I HN 0.196 nan 8.210 nan 0.000 0.434 87 G N 5.358 114.259 108.800 0.168 0.000 2.379 87 G HA2 0.625 4.585 3.960 -0.000 0.000 0.327 87 G HA3 0.625 4.585 3.960 -0.000 0.000 0.327 87 G C -0.989 174.031 174.900 0.200 0.000 1.145 87 G CA -0.362 44.845 45.100 0.179 0.000 0.905 87 G HN 0.334 nan 8.290 nan 0.000 0.466 88 V N 1.963 121.944 119.914 0.113 0.000 2.540 88 V HA 0.628 4.748 4.120 -0.000 0.000 0.302 88 V C -0.108 176.011 176.094 0.042 0.000 1.035 88 V CA -0.813 61.552 62.300 0.108 0.000 0.873 88 V CB 1.785 33.655 31.823 0.077 0.000 0.992 88 V HN 0.814 nan 8.190 nan 0.000 0.428 89 K N 2.987 123.432 120.400 0.074 0.000 2.513 89 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 89 K C -0.702 175.935 176.600 0.061 0.000 0.939 89 K CA -0.482 55.806 56.287 0.000 0.000 0.793 89 K CB 1.429 33.854 32.500 -0.125 0.000 1.241 89 K HN 0.682 nan 8.250 nan 0.000 0.431 90 D N 3.053 123.478 120.400 0.042 0.000 2.870 90 D HA -0.182 4.458 4.640 -0.000 0.000 0.228 90 D C 0.590 176.947 176.300 0.095 0.000 1.147 90 D CA 1.827 55.871 54.000 0.073 0.000 0.757 90 D CB -1.119 39.728 40.800 0.078 0.000 1.091 90 D HN 1.108 nan 8.370 nan 0.000 0.429 91 G N -0.487 108.366 108.800 0.088 0.000 2.184 91 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 91 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 91 G C 0.371 175.323 174.900 0.086 0.000 0.975 91 G CA 0.768 45.923 45.100 0.092 0.000 0.642 91 G HN 0.537 nan 8.290 nan 0.000 0.536 92 R N -0.898 119.661 120.500 0.097 0.000 2.854 92 R HA 0.652 4.992 4.340 -0.000 0.000 0.271 92 R C 0.075 176.455 176.300 0.133 0.000 0.996 92 R CA -1.191 54.972 56.100 0.105 0.000 0.961 92 R CB 1.350 31.709 30.300 0.099 0.000 1.182 92 R HN 0.156 nan 8.270 nan 0.000 0.479 93 I N 2.443 123.087 120.570 0.124 0.000 2.505 93 I HA -0.075 4.095 4.170 -0.000 0.000 0.287 93 I C 0.927 177.135 176.117 0.153 0.000 1.104 93 I CA 0.339 61.721 61.300 0.137 0.000 1.387 93 I CB 0.236 38.302 38.000 0.111 0.000 1.404 93 I HN 0.604 nan 8.210 nan 0.000 0.528 94 F N 6.996 126.968 119.950 0.036 0.000 2.220 94 F HA 0.408 4.935 4.527 -0.000 0.000 0.290 94 F C 1.013 176.824 175.800 0.018 0.000 1.080 94 F CA 0.740 58.756 58.000 0.026 0.000 1.318 94 F CB 0.308 39.322 39.000 0.024 0.000 1.063 94 F HN 0.463 nan 8.300 nan 0.000 0.498 95 A N -0.281 122.571 122.820 0.053 0.000 2.586 95 A HA 0.593 4.913 4.320 -0.000 0.000 0.291 95 A C -1.668 175.953 177.584 0.061 0.000 1.062 95 A CA -0.589 51.410 52.037 -0.063 0.000 0.666 95 A CB 0.443 19.367 19.000 -0.128 0.000 1.281 95 A HN 0.097 nan 8.150 nan 0.000 0.421 96 I N 1.357 121.939 120.570 0.020 0.000 2.411 96 I HA 0.637 4.807 4.170 -0.000 0.000 0.284 96 I C 0.679 176.827 176.117 0.051 0.000 1.012 96 I CA 0.319 61.661 61.300 0.070 0.000 1.119 96 I CB 1.666 39.712 38.000 0.077 0.000 1.261 96 I HN 1.102 nan 8.210 nan 0.000 0.448 97 G N 5.378 114.221 108.800 0.073 0.000 2.704 97 G HA2 0.217 4.177 3.960 -0.000 0.000 0.118 97 G HA3 0.217 4.177 3.960 -0.000 0.000 0.118 97 G C -1.522 173.412 174.900 0.056 0.000 1.197 97 G CA -0.383 44.749 45.100 0.053 0.000 1.152 97 G HN 0.279 nan 8.290 nan 0.000 0.571 98 K N 1.155 121.583 120.400 0.047 0.000 2.394 98 K HA 0.719 5.039 4.320 -0.000 0.000 0.260 98 K C -0.315 176.317 176.600 0.053 0.000 0.967 98 K CA -0.271 56.039 56.287 0.039 0.000 0.855 98 K CB 1.143 33.651 32.500 0.013 0.000 1.101 98 K HN 0.762 nan 8.250 nan 0.000 0.433 99 A N 2.428 125.284 122.820 0.059 0.000 2.279 99 A HA 0.861 5.181 4.320 -0.000 0.000 0.303 99 A C 0.333 177.947 177.584 0.050 0.000 1.108 99 A CA 0.383 52.457 52.037 0.061 0.000 0.830 99 A CB 0.865 19.905 19.000 0.066 0.000 1.106 99 A HN 0.898 nan 8.150 nan 0.000 0.493 100 G N 0.085 108.912 108.800 0.045 0.000 2.332 100 G HA2 0.275 4.235 3.960 -0.000 0.000 0.265 100 G HA3 0.275 4.235 3.960 -0.000 0.000 0.265 100 G C -1.485 173.435 174.900 0.033 0.000 1.329 100 G CA -0.273 44.852 45.100 0.041 0.000 0.949 100 G HN 1.084 nan 8.290 nan 0.000 0.476 101 N N 0.911 119.629 118.700 0.031 0.000 2.476 101 N HA 0.613 5.353 4.740 -0.000 0.000 0.257 101 N C -1.639 173.885 175.510 0.024 0.000 0.970 101 N CA -2.315 50.750 53.050 0.025 0.000 0.938 101 N CB 2.414 40.916 38.487 0.025 0.000 1.144 101 N HN 0.027 nan 8.380 nan 0.000 0.500 102 P HA -0.033 nan 4.420 nan 0.000 0.225 102 P C 0.228 177.539 177.300 0.018 0.000 1.148 102 P CA 0.816 63.928 63.100 0.021 0.000 0.779 102 P CB 0.443 32.157 31.700 0.023 0.000 0.780 103 D N -0.732 119.678 120.400 0.017 0.000 2.178 103 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 103 D C 1.669 177.979 176.300 0.016 0.000 0.974 103 D CA 1.193 55.203 54.000 0.015 0.000 0.841 103 D CB -0.120 40.688 40.800 0.014 0.000 0.953 103 D HN 0.353 nan 8.370 nan 0.000 0.478 104 I N -3.795 116.785 120.570 0.018 0.000 4.526 104 I HA 0.240 4.410 4.170 -0.000 0.000 0.330 104 I C 0.028 176.156 176.117 0.019 0.000 1.323 104 I CA -0.413 60.898 61.300 0.018 0.000 1.218 104 I CB 0.394 38.406 38.000 0.020 0.000 1.233 104 I HN -0.319 nan 8.210 nan 0.000 0.430 105 Q N 3.424 123.235 119.800 0.019 0.000 2.301 105 Q HA 0.567 4.907 4.340 -0.000 0.000 0.267 105 Q C -2.558 173.451 176.000 0.015 0.000 1.035 105 Q CA -1.986 53.828 55.803 0.018 0.000 0.856 105 Q CB 2.134 30.885 28.738 0.021 0.000 1.337 105 Q HN 0.105 nan 8.270 nan 0.000 0.450 106 P HA 0.182 nan 4.420 nan 0.000 0.285 106 P C -1.038 176.265 177.300 0.004 0.000 1.269 106 P CA -0.315 62.789 63.100 0.007 0.000 0.844 106 P CB 0.756 32.458 31.700 0.004 0.000 1.094 107 N N -1.936 116.766 118.700 0.004 0.000 2.693 107 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 107 N C -0.346 175.170 175.510 0.011 0.000 1.119 107 N CA 0.188 53.239 53.050 0.002 0.000 0.717 107 N CB -1.636 36.844 38.487 -0.011 0.000 1.071 107 N HN 0.155 nan 8.380 nan 0.000 0.555 108 V N 0.941 120.867 119.914 0.020 0.000 2.470 108 V HA 0.130 4.250 4.120 -0.000 0.000 0.276 108 V C 1.678 177.799 176.094 0.045 0.000 1.040 108 V CA 1.071 63.390 62.300 0.032 0.000 1.008 108 V CB 1.177 33.021 31.823 0.034 0.000 0.990 108 V HN 0.491 nan 8.190 nan 0.000 0.477 109 T N 1.586 116.175 114.554 0.059 0.000 2.975 109 T HA 0.388 4.738 4.350 -0.000 0.000 0.257 109 T C 0.278 175.070 174.700 0.153 0.000 1.003 109 T CA 0.167 62.315 62.100 0.080 0.000 0.932 109 T CB 0.087 68.983 68.868 0.046 0.000 1.087 109 T HN 0.352 nan 8.240 nan 0.000 0.512 110 I N 3.820 124.473 120.570 0.138 0.000 2.537 110 I HA 0.358 4.528 4.170 -0.000 0.000 0.276 110 I C -2.709 173.456 176.117 0.081 0.000 1.063 110 I CA -2.661 58.740 61.300 0.169 0.000 1.144 110 I CB 1.992 40.088 38.000 0.159 0.000 1.252 110 I HN -0.054 nan 8.210 nan 0.000 0.480 111 P HA 0.217 nan 4.420 nan 0.000 0.271 111 P C -0.492 176.794 177.300 -0.025 0.000 1.220 111 P CA 0.197 63.303 63.100 0.010 0.000 0.768 111 P CB 1.204 32.906 31.700 0.003 0.000 0.848 112 I N 2.724 123.290 120.570 -0.007 0.000 2.336 112 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 112 I C 1.085 177.194 176.117 -0.014 0.000 0.991 112 I CA -0.101 61.190 61.300 -0.014 0.000 1.227 112 I CB 1.765 39.771 38.000 0.010 0.000 1.366 112 I HN 0.435 nan 8.210 nan 0.000 0.466 113 G N 2.877 111.659 108.800 -0.029 0.000 3.086 113 G HA2 0.542 4.502 3.960 -0.000 0.000 0.282 113 G HA3 0.542 4.502 3.960 -0.000 0.000 0.282 113 G C 0.520 175.405 174.900 -0.025 0.000 1.343 113 G CA 0.050 45.136 45.100 -0.024 0.000 0.895 113 G HN 0.601 nan 8.290 nan 0.000 0.557 114 A N -0.739 122.068 122.820 -0.022 0.000 1.978 114 A HA 0.236 4.556 4.320 -0.000 0.000 0.220 114 A C 2.341 179.902 177.584 -0.038 0.000 1.170 114 A CA 2.591 54.615 52.037 -0.022 0.000 0.636 114 A CB -0.636 18.354 19.000 -0.018 0.000 0.810 114 A HN 1.547 nan 8.150 nan 0.000 0.448 115 A N -0.795 121.997 122.820 -0.046 0.000 2.259 115 A HA 0.347 4.667 4.320 -0.000 0.000 0.208 115 A C 0.715 178.258 177.584 -0.070 0.000 1.201 115 A CA 0.589 52.591 52.037 -0.058 0.000 0.824 115 A CB -0.508 18.456 19.000 -0.060 0.000 0.838 115 A HN 0.279 nan 8.150 nan 0.000 0.485 116 T N 0.845 115.357 114.554 -0.069 0.000 2.767 116 T HA 0.430 4.780 4.350 -0.000 0.000 0.284 116 T C -0.312 174.328 174.700 -0.100 0.000 0.973 116 T CA -0.348 61.705 62.100 -0.079 0.000 0.996 116 T CB 1.510 70.338 68.868 -0.067 0.000 0.927 116 T HN 0.449 nan 8.240 nan 0.000 0.456 117 E N 2.405 122.541 120.200 -0.108 0.000 2.283 117 E HA 0.532 4.882 4.350 -0.000 0.000 0.271 117 E C -1.195 175.311 176.600 -0.156 0.000 1.031 117 E CA -0.646 55.667 56.400 -0.145 0.000 0.868 117 E CB 0.922 30.552 29.700 -0.117 0.000 1.094 117 E HN 0.322 nan 8.360 nan 0.000 0.401 118 V N 4.679 124.449 119.914 -0.241 0.000 2.588 118 V HA 0.449 4.569 4.120 -0.000 0.000 0.304 118 V C -0.281 175.716 176.094 -0.162 0.000 1.042 118 V CA -0.673 61.499 62.300 -0.212 0.000 0.877 118 V CB 1.589 33.215 31.823 -0.327 0.000 0.996 118 V HN 0.671 nan 8.190 nan 0.000 0.425 119 I N 3.565 124.097 120.570 -0.064 0.000 2.410 119 I HA 0.582 4.752 4.170 -0.000 0.000 0.286 119 I C 0.398 176.530 176.117 0.024 0.000 1.009 119 I CA -0.642 60.646 61.300 -0.020 0.000 1.111 119 I CB 1.855 39.853 38.000 -0.003 0.000 1.262 119 I HN 0.715 nan 8.210 nan 0.000 0.443 120 A N 5.079 127.928 122.820 0.047 0.000 2.350 120 A HA 0.587 4.907 4.320 -0.000 0.000 0.293 120 A C 0.775 178.403 177.584 0.072 0.000 1.231 120 A CA -0.116 51.969 52.037 0.080 0.000 0.883 120 A CB 0.389 19.451 19.000 0.103 0.000 1.133 120 A HN 0.888 nan 8.150 nan 0.000 0.533 121 A N 2.885 125.756 122.820 0.085 0.000 2.430 121 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 121 A C 0.703 178.347 177.584 0.101 0.000 1.254 121 A CA -0.225 51.867 52.037 0.091 0.000 0.914 121 A CB -0.130 18.929 19.000 0.099 0.000 0.998 121 A HN 0.821 nan 8.150 nan 0.000 0.515 122 E N 0.107 120.365 120.200 0.097 0.000 2.417 122 E HA 0.292 4.642 4.350 -0.000 0.000 0.261 122 E C 0.832 177.477 176.600 0.075 0.000 1.000 122 E CA 0.555 57.012 56.400 0.096 0.000 0.919 122 E CB 0.128 29.874 29.700 0.077 0.000 0.955 122 E HN 0.909 nan 8.360 nan 0.000 0.455 123 G N 2.865 111.717 108.800 0.087 0.000 2.176 123 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.253 123 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.253 123 G C -0.016 174.942 174.900 0.097 0.000 0.979 123 G CA 0.277 45.424 45.100 0.079 0.000 0.641 123 G HN 0.482 nan 8.290 nan 0.000 0.530 124 K N -0.173 120.295 120.400 0.113 0.000 2.281 124 K HA 0.754 5.074 4.320 -0.000 0.000 0.242 124 K C -0.095 176.603 176.600 0.163 0.000 0.971 124 K CA -0.881 55.495 56.287 0.149 0.000 0.834 124 K CB 2.069 34.654 32.500 0.142 0.000 1.181 124 K HN 0.198 nan 8.250 nan 0.000 0.435 125 I N 1.420 122.131 120.570 0.235 0.000 2.377 125 I HA 0.249 4.419 4.170 -0.000 0.000 0.293 125 I C -0.481 175.866 176.117 0.384 0.000 0.987 125 I CA -1.034 60.415 61.300 0.249 0.000 1.185 125 I CB 1.799 39.927 38.000 0.213 0.000 1.341 125 I HN 0.015 nan 8.210 nan 0.000 0.455 126 V N 4.827 124.917 119.914 0.293 0.000 2.495 126 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 126 V C 0.088 176.374 176.094 0.319 0.000 1.031 126 V CA -0.378 62.098 62.300 0.293 0.000 0.871 126 V CB 1.937 33.873 31.823 0.188 0.000 0.988 126 V HN 0.898 nan 8.190 nan 0.000 0.432 127 T N 1.534 116.327 114.554 0.398 0.000 2.887 127 T HA 0.867 5.217 4.350 -0.000 0.000 0.292 127 T C -0.118 174.767 174.700 0.308 0.000 1.087 127 T CA -0.368 61.962 62.100 0.383 0.000 1.009 127 T CB 1.936 71.151 68.868 0.579 0.000 1.203 127 T HN 0.997 nan 8.240 nan 0.000 0.518 128 A N 0.371 123.355 122.820 0.272 0.000 2.366 128 A HA 0.689 5.009 4.320 -0.000 0.000 0.249 128 A C 0.949 178.693 177.584 0.267 0.000 1.084 128 A CA -0.143 52.035 52.037 0.236 0.000 0.794 128 A CB -0.625 18.505 19.000 0.215 0.000 1.034 128 A HN 1.377 nan 8.150 nan 0.000 0.491 129 G N -0.141 108.789 108.800 0.218 0.000 2.442 129 G HA2 0.479 4.439 3.960 -0.000 0.000 0.249 129 G HA3 0.479 4.439 3.960 -0.000 0.000 0.249 129 G C 0.539 175.598 174.900 0.264 0.000 1.263 129 G CA 0.203 45.435 45.100 0.219 0.000 0.846 129 G HN 1.133 nan 8.290 nan 0.000 0.555 130 G N -0.391 108.600 108.800 0.319 0.000 2.636 130 G HA2 0.449 4.409 3.960 -0.000 0.000 0.246 130 G HA3 0.449 4.409 3.960 -0.000 0.000 0.246 130 G C -0.281 174.767 174.900 0.247 0.000 1.216 130 G CA -0.514 44.815 45.100 0.382 0.000 0.854 130 G HN 0.643 nan 8.290 nan 0.000 0.572 131 I N 0.896 121.607 120.570 0.236 0.000 2.468 131 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 131 I C -1.292 174.907 176.117 0.137 0.000 1.038 131 I CA -0.701 60.696 61.300 0.162 0.000 1.083 131 I CB 2.129 40.209 38.000 0.135 0.000 1.223 131 I HN 0.310 nan 8.210 nan 0.000 0.443 132 D N 4.666 125.121 120.400 0.093 0.000 2.373 132 D HA 0.199 4.839 4.640 -0.000 0.000 0.227 132 D C 0.863 177.178 176.300 0.025 0.000 1.091 132 D CA -0.211 53.821 54.000 0.053 0.000 0.840 132 D CB 1.508 42.311 40.800 0.005 0.000 1.060 132 D HN 0.608 nan 8.370 nan 0.000 0.502 133 T N 0.364 114.950 114.554 0.054 0.000 3.206 133 T HA 0.113 4.463 4.350 -0.000 0.000 0.253 133 T C 0.560 175.264 174.700 0.006 0.000 1.042 133 T CA -0.110 61.999 62.100 0.015 0.000 0.931 133 T CB -0.469 68.464 68.868 0.107 0.000 1.029 133 T HN 0.479 nan 8.240 nan 0.000 0.564 134 H N 0.616 119.566 119.070 -0.200 0.000 2.439 134 H HA 0.449 5.005 4.556 -0.000 0.000 0.230 134 H C -0.841 174.309 175.328 -0.297 0.000 1.420 134 H CA -0.936 54.858 56.048 -0.423 0.000 1.305 134 H CB -0.093 29.265 29.762 -0.674 0.000 1.667 134 H HN 0.192 nan 8.280 nan 0.000 0.515 135 I N 2.082 122.548 120.570 -0.173 0.000 2.385 135 I HA 0.141 4.311 4.170 -0.000 0.000 0.294 135 I C 0.229 176.101 176.117 -0.408 0.000 0.988 135 I CA -0.315 60.763 61.300 -0.371 0.000 1.265 135 I CB 1.156 38.675 38.000 -0.801 0.000 1.388 135 I HN 0.562 nan 8.210 nan 0.000 0.480 136 H N 5.509 124.399 119.070 -0.301 0.000 2.623 136 H HA 0.136 4.691 4.556 -0.000 0.000 0.299 136 H C -0.786 174.439 175.328 -0.171 0.000 1.052 136 H CA -0.356 55.610 56.048 -0.137 0.000 1.231 136 H CB 0.647 30.398 29.762 -0.019 0.000 1.389 136 H HN 0.552 nan 8.280 nan 0.000 0.469 137 W N 5.496 126.868 121.300 0.121 0.000 1.539 137 W HA 0.121 4.781 4.660 -0.000 0.000 0.502 137 W C 1.028 177.592 176.519 0.075 0.000 0.689 137 W CA -0.289 57.105 57.345 0.082 0.000 2.088 137 W CB -0.327 29.163 29.460 0.049 0.000 1.686 137 W HN 0.635 nan 8.180 nan 0.000 0.211 138 I N 1.255 121.981 120.570 0.260 0.000 2.584 138 I HA -0.073 4.097 4.170 -0.000 0.000 0.255 138 I C 1.077 177.300 176.117 0.176 0.000 1.145 138 I CA 0.631 62.045 61.300 0.190 0.000 1.462 138 I CB -0.106 38.005 38.000 0.185 0.000 1.102 138 I HN 0.252 nan 8.210 nan 0.000 0.433 139 C N -2.286 117.137 119.300 0.206 0.000 3.239 139 C HA 0.381 4.841 4.460 -0.000 0.000 0.329 139 C C -1.963 173.157 174.990 0.217 0.000 1.252 139 C CA -1.329 57.791 59.018 0.169 0.000 1.323 139 C CB 1.239 29.049 27.740 0.117 0.000 1.663 139 C HN -0.050 nan 8.230 nan 0.000 0.487 140 P HA -0.060 nan 4.420 nan 0.000 0.225 140 P C 1.064 178.454 177.300 0.150 0.000 1.156 140 P CA 1.506 64.698 63.100 0.152 0.000 0.787 140 P CB 0.225 31.964 31.700 0.064 0.000 0.802 141 Q N 0.185 120.053 119.800 0.114 0.000 2.368 141 Q HA -0.135 4.205 4.340 -0.000 0.000 0.210 141 Q C 2.357 178.415 176.000 0.097 0.000 0.982 141 Q CA 1.272 57.127 55.803 0.087 0.000 0.884 141 Q CB -0.858 27.916 28.738 0.060 0.000 0.933 141 Q HN 0.443 nan 8.270 nan 0.000 0.460 142 Q N -0.523 119.356 119.800 0.133 0.000 2.181 142 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 142 Q C 1.995 178.072 176.000 0.128 0.000 0.980 142 Q CA 1.233 57.100 55.803 0.107 0.000 0.862 142 Q CB -0.205 28.591 28.738 0.098 0.000 0.905 142 Q HN 0.500 nan 8.270 nan 0.000 0.429 143 A N 1.041 123.991 122.820 0.215 0.000 1.933 143 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 143 A C 1.880 179.528 177.584 0.107 0.000 1.175 143 A CA 1.628 53.788 52.037 0.204 0.000 0.628 143 A CB -0.445 18.693 19.000 0.230 0.000 0.814 143 A HN 0.431 nan 8.150 nan 0.000 0.444 144 E N -0.617 119.631 120.200 0.079 0.000 2.072 144 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 144 E C 1.955 178.563 176.600 0.014 0.000 0.985 144 E CA 1.253 57.680 56.400 0.044 0.000 0.801 144 E CB -0.091 29.635 29.700 0.043 0.000 0.750 144 E HN 0.568 nan 8.360 nan 0.000 0.452 145 E N 0.410 120.620 120.200 0.016 0.000 2.058 145 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 145 E C 1.752 178.335 176.600 -0.028 0.000 0.997 145 E CA 1.602 57.995 56.400 -0.012 0.000 0.801 145 E CB -0.309 29.388 29.700 -0.006 0.000 0.746 145 E HN 0.353 nan 8.360 nan 0.000 0.450 146 A N 0.143 122.961 122.820 -0.003 0.000 1.898 146 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 146 A C 2.196 179.777 177.584 -0.004 0.000 1.181 146 A CA 1.409 53.444 52.037 -0.003 0.000 0.620 146 A CB -0.793 18.218 19.000 0.019 0.000 0.819 146 A HN 0.355 nan 8.150 nan 0.000 0.442 147 L N -0.014 121.213 121.223 0.007 0.000 2.012 147 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 147 L C 2.399 179.227 176.870 -0.071 0.000 1.073 147 L CA 1.894 56.732 54.840 -0.004 0.000 0.748 147 L CB -0.477 41.592 42.059 0.016 0.000 0.891 147 L HN 0.160 nan 8.230 nan 0.000 0.431 148 V N -0.381 119.456 119.914 -0.129 0.000 2.469 148 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 148 V C 2.655 178.570 176.094 -0.299 0.000 1.064 148 V CA 1.723 63.829 62.300 -0.324 0.000 1.066 148 V CB -0.883 30.676 31.823 -0.440 0.000 0.667 148 V HN 0.775 nan 8.190 nan 0.000 0.461 149 S N -0.339 115.279 115.700 -0.135 0.000 2.489 149 S HA 0.205 4.675 4.470 -0.000 0.000 0.228 149 S C 1.554 176.186 174.600 0.054 0.000 0.995 149 S CA 0.918 59.099 58.200 -0.031 0.000 0.934 149 S CB 0.557 63.751 63.200 -0.011 0.000 0.771 149 S HN 1.205 nan 8.310 nan 0.000 0.522 150 G N -0.215 108.578 108.800 -0.013 0.000 2.148 150 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.157 150 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.157 150 G C -0.232 174.736 174.900 0.113 0.000 1.012 150 G CA -0.202 44.917 45.100 0.031 0.000 0.677 150 G HN 0.603 nan 8.290 nan 0.000 0.506 151 V N 1.881 121.840 119.914 0.075 0.000 2.370 151 V HA 0.596 4.716 4.120 -0.000 0.000 0.279 151 V C 1.349 177.503 176.094 0.100 0.000 1.029 151 V CA 0.623 62.985 62.300 0.103 0.000 0.870 151 V CB 1.409 33.273 31.823 0.067 0.000 0.984 151 V HN 0.610 nan 8.190 nan 0.000 0.451 152 T N -0.334 114.297 114.554 0.128 0.000 3.023 152 T HA 0.166 4.516 4.350 -0.000 0.000 0.253 152 T C 0.586 175.378 174.700 0.154 0.000 1.038 152 T CA -0.050 62.125 62.100 0.124 0.000 0.962 152 T CB 0.275 69.213 68.868 0.117 0.000 1.018 152 T HN 0.526 nan 8.240 nan 0.000 0.521 153 T N 2.377 117.034 114.554 0.171 0.000 2.881 153 T HA 0.675 5.025 4.350 -0.000 0.000 0.290 153 T C -1.039 173.771 174.700 0.184 0.000 1.000 153 T CA -0.562 61.665 62.100 0.211 0.000 0.978 153 T CB 1.721 70.726 68.868 0.228 0.000 0.997 153 T HN 0.198 nan 8.240 nan 0.000 0.443 154 M N 3.188 122.929 119.600 0.235 0.000 2.197 154 M HA 0.537 5.017 4.480 -0.000 0.000 0.301 154 M C -1.169 175.279 176.300 0.247 0.000 0.987 154 M CA -0.852 54.564 55.300 0.192 0.000 0.921 154 M CB 2.250 34.989 32.600 0.233 0.000 1.569 154 M HN 0.233 nan 8.290 nan 0.000 0.431 155 V N 2.509 122.475 119.914 0.086 0.000 2.495 155 V HA 1.004 5.124 4.120 -0.000 0.000 0.298 155 V C 0.236 176.317 176.094 -0.022 0.000 1.031 155 V CA -0.181 62.157 62.300 0.062 0.000 0.871 155 V CB 1.600 33.348 31.823 -0.125 0.000 0.988 155 V HN 1.075 nan 8.190 nan 0.000 0.432 156 G N 2.921 111.765 108.800 0.073 0.000 2.364 156 G HA2 0.692 4.652 3.960 -0.000 0.000 0.286 156 G HA3 0.692 4.652 3.960 -0.000 0.000 0.286 156 G C -0.618 174.367 174.900 0.143 0.000 1.241 156 G CA 0.129 45.196 45.100 -0.054 0.000 0.887 156 G HN 1.121 nan 8.290 nan 0.000 0.484 157 G N -2.053 106.794 108.800 0.078 0.000 2.692 157 G HA2 0.972 4.932 3.960 -0.000 0.000 0.291 157 G HA3 0.972 4.932 3.960 -0.000 0.000 0.291 157 G C -0.291 174.772 174.900 0.272 0.000 1.423 157 G CA 0.383 45.642 45.100 0.265 0.000 0.843 157 G HN 2.219 nan 8.290 nan 0.000 0.486 158 G N -1.693 107.282 108.800 0.293 0.000 2.336 158 G HA2 0.538 4.498 3.960 -0.000 0.000 0.300 158 G HA3 0.538 4.498 3.960 -0.000 0.000 0.300 158 G C 0.094 175.072 174.900 0.130 0.000 1.375 158 G CA 0.942 46.172 45.100 0.217 0.000 0.885 158 G HN 1.760 nan 8.290 nan 0.000 0.599 159 T N -3.035 111.532 114.554 0.022 0.000 3.130 159 T HA 0.641 4.991 4.350 -0.000 0.000 0.288 159 T C 1.206 175.910 174.700 0.007 0.000 0.936 159 T CA 1.232 63.293 62.100 -0.064 0.000 0.897 159 T CB 0.447 69.038 68.868 -0.462 0.000 1.178 159 T HN 2.726 nan 8.240 nan 0.000 0.543 160 G N 2.429 111.257 108.800 0.047 0.000 2.298 160 G HA2 0.164 4.124 3.960 -0.000 0.000 0.309 160 G HA3 0.164 4.124 3.960 -0.000 0.000 0.309 160 G C -2.945 171.940 174.900 -0.025 0.000 1.279 160 G CA -0.422 44.709 45.100 0.052 0.000 1.042 160 G HN 0.061 nan 8.290 nan 0.000 0.480 161 P HA 0.469 nan 4.420 nan 0.000 0.231 161 P C 0.093 177.184 177.300 -0.349 0.000 1.756 161 P CA 1.025 64.043 63.100 -0.136 0.000 0.990 161 P CB 0.004 31.773 31.700 0.115 0.000 1.973 162 A N 1.160 123.713 122.820 -0.445 0.000 2.320 162 A HA 0.639 4.959 4.320 -0.000 0.000 0.334 162 A C 1.601 178.944 177.584 -0.401 0.000 1.147 162 A CA -0.200 51.660 52.037 -0.295 0.000 0.820 162 A CB 1.083 19.994 19.000 -0.149 0.000 1.218 162 A HN 0.222 nan 8.150 nan 0.000 0.482 163 A N 1.525 124.251 122.820 -0.157 0.000 1.917 163 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 163 A C 2.157 179.779 177.584 0.063 0.000 1.182 163 A CA 2.637 54.639 52.037 -0.057 0.000 0.633 163 A CB -1.263 17.542 19.000 -0.325 0.000 0.819 163 A HN 1.531 nan 8.150 nan 0.000 0.448 164 G N -1.569 107.235 108.800 0.008 0.000 2.418 164 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 164 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 164 G C 1.550 176.543 174.900 0.155 0.000 1.158 164 G CA 1.635 46.797 45.100 0.103 0.000 0.771 164 G HN 0.452 nan 8.290 nan 0.000 0.545 165 T N -0.050 114.556 114.554 0.088 0.000 2.942 165 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 165 T C 2.104 176.943 174.700 0.232 0.000 1.062 165 T CA 0.818 63.001 62.100 0.138 0.000 1.139 165 T CB -0.251 68.645 68.868 0.047 0.000 0.883 165 T HN 0.273 nan 8.240 nan 0.000 0.468 166 H N 1.255 120.408 119.070 0.139 0.000 2.387 166 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 166 H C 2.387 177.646 175.328 -0.115 0.000 1.099 166 H CA 1.371 57.433 56.048 0.022 0.000 1.315 166 H CB -0.402 29.418 29.762 0.095 0.000 1.380 166 H HN 0.421 nan 8.280 nan 0.000 0.513 167 A N 0.082 122.965 122.820 0.106 0.000 1.997 167 A HA 0.086 4.406 4.320 -0.000 0.000 0.212 167 A C 1.306 178.944 177.584 0.090 0.000 1.178 167 A CA 1.010 53.018 52.037 -0.048 0.000 0.698 167 A CB 0.051 18.993 19.000 -0.097 0.000 0.842 167 A HN 0.452 nan 8.150 nan 0.000 0.458 168 T N -2.804 111.834 114.554 0.141 0.000 2.906 168 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 168 T C -0.164 174.585 174.700 0.081 0.000 1.075 168 T CA 0.203 62.364 62.100 0.100 0.000 1.005 168 T CB 1.366 70.209 68.868 -0.042 0.000 1.136 168 T HN 0.293 nan 8.240 nan 0.000 0.498 169 T N 0.055 114.559 114.554 -0.084 0.000 3.783 169 T HA 0.477 4.827 4.350 -0.000 0.000 0.262 169 T C 0.008 174.726 174.700 0.030 0.000 1.381 169 T CA -0.692 61.279 62.100 -0.215 0.000 1.155 169 T CB -1.889 66.842 68.868 -0.229 0.000 1.256 169 T HN 0.717 nan 8.240 nan 0.000 0.807 170 C N 1.662 121.021 119.300 0.099 0.000 2.441 170 C HA 0.636 5.096 4.460 -0.000 0.000 0.318 170 C C 0.499 175.531 174.990 0.069 0.000 1.222 170 C CA -0.860 58.209 59.018 0.085 0.000 1.474 170 C CB 1.344 29.126 27.740 0.070 0.000 2.125 170 C HN 0.659 nan 8.230 nan 0.000 0.479 171 T N 4.348 118.935 114.554 0.055 0.000 2.929 171 T HA 0.309 4.659 4.350 -0.000 0.000 0.331 171 T C -2.689 172.033 174.700 0.036 0.000 1.120 171 T CA -0.736 61.397 62.100 0.055 0.000 0.973 171 T CB 0.306 69.232 68.868 0.097 0.000 1.036 171 T HN 0.430 nan 8.240 nan 0.000 0.502 172 P HA 0.361 nan 4.420 nan 0.000 0.270 172 P C 0.712 178.087 177.300 0.125 0.000 1.242 172 P CA 0.709 63.802 63.100 -0.011 0.000 0.768 172 P CB 0.238 31.890 31.700 -0.079 0.000 0.820 173 G N 5.351 114.191 108.800 0.066 0.000 2.856 173 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.674 173 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.674 173 G C -1.991 172.989 174.900 0.133 0.000 1.519 173 G CA -0.797 44.361 45.100 0.097 0.000 0.940 173 G HN 0.268 nan 8.290 nan 0.000 0.564 174 P HA -0.142 nan 4.420 nan 0.000 0.216 174 P C 1.647 179.009 177.300 0.104 0.000 1.154 174 P CA 2.223 65.374 63.100 0.086 0.000 0.865 174 P CB 0.004 31.748 31.700 0.074 0.000 0.789 175 W N -1.133 120.143 121.300 -0.039 0.000 2.354 175 W HA -0.171 4.488 4.660 -0.000 0.000 0.315 175 W C 2.290 178.737 176.519 -0.119 0.000 1.206 175 W CA 1.436 58.714 57.345 -0.111 0.000 1.290 175 W CB -1.081 28.263 29.460 -0.194 0.000 1.152 175 W HN -0.074 nan 8.180 nan 0.000 0.489 176 Y N -0.105 120.341 120.300 0.243 0.000 2.242 176 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 176 Y C 2.354 178.219 175.900 -0.059 0.000 1.137 176 Y CA 1.639 59.788 58.100 0.081 0.000 1.181 176 Y CB -0.435 38.128 38.460 0.172 0.000 0.989 176 Y HN -0.113 nan 8.280 nan 0.000 0.527 177 I N -1.070 119.575 120.570 0.125 0.000 2.179 177 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 177 I C 2.362 178.447 176.117 -0.053 0.000 1.088 177 I CA 1.381 62.705 61.300 0.040 0.000 1.357 177 I CB -0.490 37.536 38.000 0.043 0.000 1.051 177 I HN 0.066 nan 8.210 nan 0.000 0.409 178 S N 0.323 115.955 115.700 -0.113 0.000 2.359 178 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 178 S C 2.090 176.542 174.600 -0.247 0.000 1.035 178 S CA 1.411 59.503 58.200 -0.180 0.000 1.018 178 S CB -0.304 62.758 63.200 -0.230 0.000 0.876 178 S HN 0.265 nan 8.310 nan 0.000 0.448 179 R N 0.915 121.194 120.500 -0.368 0.000 2.091 179 R HA 0.111 4.451 4.340 -0.000 0.000 0.238 179 R C 2.271 178.446 176.300 -0.207 0.000 1.136 179 R CA 1.330 57.203 56.100 -0.377 0.000 0.959 179 R CB -0.373 29.598 30.300 -0.550 0.000 0.856 179 R HN 0.315 nan 8.270 nan 0.000 0.437 180 M N -0.293 119.225 119.600 -0.138 0.000 2.319 180 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 180 M C 2.029 178.226 176.300 -0.172 0.000 1.068 180 M CA 1.220 56.433 55.300 -0.146 0.000 1.118 180 M CB -0.549 31.983 32.600 -0.113 0.000 1.395 180 M HN 0.160 nan 8.290 nan 0.000 0.435 181 L N -0.408 120.733 121.223 -0.137 0.000 2.093 181 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 181 L C 2.536 179.324 176.870 -0.138 0.000 1.085 181 L CA 1.107 55.874 54.840 -0.122 0.000 0.755 181 L CB -0.475 41.530 42.059 -0.091 0.000 0.904 181 L HN 0.379 nan 8.230 nan 0.000 0.435 182 Q N -0.349 119.362 119.800 -0.148 0.000 2.079 182 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 182 Q C 2.429 178.351 176.000 -0.131 0.000 0.974 182 Q CA 1.525 57.243 55.803 -0.142 0.000 0.840 182 Q CB -0.228 28.419 28.738 -0.152 0.000 0.898 182 Q HN 0.544 nan 8.270 nan 0.000 0.430 183 A N 1.124 123.858 122.820 -0.143 0.000 1.972 183 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 183 A C 2.287 179.780 177.584 -0.151 0.000 1.169 183 A CA 1.372 53.329 52.037 -0.134 0.000 0.635 183 A CB -0.644 18.268 19.000 -0.147 0.000 0.810 183 A HN 0.388 nan 8.150 nan 0.000 0.446 184 A N 0.081 122.788 122.820 -0.189 0.000 1.978 184 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 184 A C 1.659 179.183 177.584 -0.101 0.000 1.170 184 A CA 1.839 53.760 52.037 -0.193 0.000 0.636 184 A CB -0.553 18.330 19.000 -0.195 0.000 0.810 184 A HN 0.442 nan 8.150 nan 0.000 0.448 185 D N -0.155 120.198 120.400 -0.078 0.000 2.263 185 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 185 D C 1.806 178.177 176.300 0.120 0.000 0.971 185 D CA 1.324 55.319 54.000 -0.009 0.000 0.867 185 D CB -0.104 40.621 40.800 -0.125 0.000 0.929 185 D HN 0.406 nan 8.370 nan 0.000 0.492 186 S N -0.446 115.278 115.700 0.040 0.000 2.528 186 S HA 0.106 4.576 4.470 -0.000 0.000 0.219 186 S C 0.953 175.560 174.600 0.012 0.000 0.985 186 S CA -0.044 58.179 58.200 0.039 0.000 0.914 186 S CB 0.504 63.708 63.200 0.005 0.000 0.776 186 S HN 0.182 nan 8.310 nan 0.000 0.526 187 L N 2.932 124.152 121.223 -0.006 0.000 2.307 187 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 187 L C -1.920 174.968 176.870 0.030 0.000 1.051 187 L CA -2.143 52.700 54.840 0.003 0.000 0.804 187 L CB 0.944 42.984 42.059 -0.032 0.000 1.197 187 L HN -0.150 nan 8.230 nan 0.000 0.431 188 P HA 0.028 nan 4.420 nan 0.000 0.259 188 P C -0.495 176.843 177.300 0.063 0.000 1.480 188 P CA 0.256 63.382 63.100 0.044 0.000 0.842 188 P CB -0.074 31.646 31.700 0.033 0.000 1.513 189 V N -3.600 116.363 119.914 0.082 0.000 3.040 189 V HA 0.548 4.668 4.120 -0.000 0.000 0.312 189 V C -0.340 175.820 176.094 0.110 0.000 1.115 189 V CA -1.394 60.974 62.300 0.113 0.000 0.998 189 V CB 1.849 33.774 31.823 0.169 0.000 1.042 189 V HN -0.173 nan 8.190 nan 0.000 0.433 190 N N 1.772 120.552 118.700 0.133 0.000 2.530 190 N HA 0.603 5.343 4.740 -0.000 0.000 0.273 190 N C -0.761 174.893 175.510 0.240 0.000 1.173 190 N CA 0.096 53.219 53.050 0.121 0.000 0.967 190 N CB 1.416 40.028 38.487 0.208 0.000 1.109 190 N HN 0.731 nan 8.380 nan 0.000 0.453 191 I N -0.119 120.575 120.570 0.208 0.000 2.647 191 I HA 0.498 4.668 4.170 -0.000 0.000 0.295 191 I C 0.271 176.617 176.117 0.382 0.000 1.078 191 I CA -0.895 60.584 61.300 0.299 0.000 1.048 191 I CB 2.487 40.569 38.000 0.136 0.000 1.239 191 I HN 0.421 nan 8.210 nan 0.000 0.421 192 G N 5.659 114.691 108.800 0.387 0.000 2.662 192 G HA2 0.730 4.690 3.960 -0.000 0.000 0.302 192 G HA3 0.730 4.690 3.960 -0.000 0.000 0.302 192 G C -1.387 173.664 174.900 0.251 0.000 1.389 192 G CA -0.464 44.828 45.100 0.321 0.000 0.998 192 G HN 0.377 nan 8.290 nan 0.000 0.502 193 L N 1.135 122.474 121.223 0.193 0.000 2.334 193 L HA 0.604 4.943 4.340 -0.000 0.000 0.272 193 L C -0.238 176.714 176.870 0.137 0.000 1.020 193 L CA -0.939 54.014 54.840 0.188 0.000 0.812 193 L CB 1.977 44.116 42.059 0.133 0.000 1.264 193 L HN 0.203 nan 8.230 nan 0.000 0.439 194 L N 1.161 122.463 121.223 0.131 0.000 2.322 194 L HA 0.625 4.965 4.340 -0.000 0.000 0.281 194 L C 0.466 177.375 176.870 0.064 0.000 1.014 194 L CA -0.466 54.425 54.840 0.084 0.000 0.815 194 L CB 1.722 43.821 42.059 0.067 0.000 1.247 194 L HN 0.668 nan 8.230 nan 0.000 0.421 195 G N 1.283 110.103 108.800 0.033 0.000 2.531 195 G HA2 0.286 4.246 3.960 -0.000 0.000 0.313 195 G HA3 0.286 4.246 3.960 -0.000 0.000 0.313 195 G C -0.927 173.951 174.900 -0.037 0.000 1.238 195 G CA -0.579 44.524 45.100 0.004 0.000 0.994 195 G HN 0.527 nan 8.290 nan 0.000 0.493 196 K N 0.078 120.415 120.400 -0.105 0.000 2.310 196 K HA 0.289 4.609 4.320 -0.000 0.000 0.290 196 K C 1.007 177.518 176.600 -0.148 0.000 1.077 196 K CA -0.062 56.102 56.287 -0.205 0.000 0.922 196 K CB 0.504 32.734 32.500 -0.451 0.000 1.057 196 K HN 0.449 nan 8.250 nan 0.000 0.479 197 G N 3.538 112.284 108.800 -0.089 0.000 3.042 197 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 197 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 197 G C -0.072 174.801 174.900 -0.046 0.000 1.166 197 G CA -0.336 44.729 45.100 -0.058 0.000 0.767 197 G HN 0.626 nan 8.290 nan 0.000 0.546 198 N N 0.845 119.508 118.700 -0.062 0.000 2.739 198 N HA 0.419 5.159 4.740 -0.000 0.000 0.266 198 N C -0.953 174.537 175.510 -0.032 0.000 1.168 198 N CA 0.141 53.185 53.050 -0.009 0.000 1.055 198 N CB 1.264 39.798 38.487 0.077 0.000 1.393 198 N HN 0.020 nan 8.380 nan 0.000 0.514 199 V N -0.742 119.157 119.914 -0.024 0.000 3.147 199 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 199 V C 0.192 176.279 176.094 -0.013 0.000 1.302 199 V CA -0.938 61.348 62.300 -0.023 0.000 1.015 199 V CB 2.087 33.886 31.823 -0.040 0.000 1.086 199 V HN 0.263 nan 8.190 nan 0.000 0.437 200 S N 0.837 116.533 115.700 -0.008 0.000 2.575 200 S HA 0.177 4.646 4.470 -0.000 0.000 0.237 200 S C 0.150 174.745 174.600 -0.008 0.000 0.975 200 S CA 0.000 58.197 58.200 -0.006 0.000 0.960 200 S CB -0.025 63.174 63.200 -0.002 0.000 0.822 200 S HN 0.790 nan 8.310 nan 0.000 0.472 201 Q N 1.644 121.437 119.800 -0.012 0.000 2.363 201 Q HA 0.420 4.760 4.340 -0.000 0.000 0.265 201 Q C -2.448 173.544 176.000 -0.014 0.000 1.032 201 Q CA -2.178 53.618 55.803 -0.012 0.000 0.746 201 Q CB 1.463 30.194 28.738 -0.012 0.000 1.237 201 Q HN -0.091 nan 8.270 nan 0.000 0.475 202 P HA -0.184 nan 4.420 nan 0.000 0.216 202 P C 0.215 177.508 177.300 -0.012 0.000 1.157 202 P CA 1.376 64.469 63.100 -0.012 0.000 0.880 202 P CB 0.366 32.060 31.700 -0.010 0.000 0.791 203 D N -0.879 119.515 120.400 -0.010 0.000 2.182 203 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 203 D C 1.895 178.188 176.300 -0.011 0.000 0.986 203 D CA 1.472 55.466 54.000 -0.009 0.000 0.847 203 D CB -0.569 40.226 40.800 -0.007 0.000 0.942 203 D HN 0.122 nan 8.370 nan 0.000 0.467 204 A N 0.183 122.994 122.820 -0.015 0.000 2.067 204 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 204 A C 2.293 179.863 177.584 -0.023 0.000 1.158 204 A CA 0.621 52.647 52.037 -0.020 0.000 0.661 204 A CB -0.333 18.651 19.000 -0.028 0.000 0.801 204 A HN 0.197 nan 8.150 nan 0.000 0.452 205 L N -1.698 119.512 121.223 -0.022 0.000 2.168 205 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 205 L C 2.708 179.571 176.870 -0.012 0.000 1.078 205 L CA 0.601 55.428 54.840 -0.021 0.000 0.780 205 L CB -0.451 41.595 42.059 -0.022 0.000 0.939 205 L HN 0.282 nan 8.230 nan 0.000 0.451 206 R N 0.453 120.948 120.500 -0.009 0.000 2.105 206 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 206 R C 2.090 178.390 176.300 -0.000 0.000 1.135 206 R CA 1.410 57.507 56.100 -0.004 0.000 0.967 206 R CB -0.281 30.017 30.300 -0.004 0.000 0.861 206 R HN 0.443 nan 8.270 nan 0.000 0.442 207 E N 0.730 120.929 120.200 -0.001 0.000 2.058 207 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 207 E C 2.152 178.757 176.600 0.009 0.000 0.997 207 E CA 1.280 57.683 56.400 0.005 0.000 0.801 207 E CB -0.025 29.677 29.700 0.005 0.000 0.746 207 E HN 0.438 nan 8.360 nan 0.000 0.450 208 Q N 0.221 120.024 119.800 0.006 0.000 2.084 208 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 208 Q C 2.413 178.422 176.000 0.015 0.000 0.978 208 Q CA 1.322 57.132 55.803 0.011 0.000 0.844 208 Q CB 0.012 28.750 28.738 0.001 0.000 0.898 208 Q HN 0.165 nan 8.270 nan 0.000 0.426 209 V N 0.998 120.919 119.914 0.011 0.000 2.358 209 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 209 V C 2.253 178.358 176.094 0.018 0.000 1.047 209 V CA 1.772 64.082 62.300 0.017 0.000 1.035 209 V CB -0.952 30.878 31.823 0.012 0.000 0.658 209 V HN 0.370 nan 8.190 nan 0.000 0.452 210 A N -0.104 122.724 122.820 0.013 0.000 2.067 210 A HA 0.020 4.339 4.320 -0.000 0.000 0.219 210 A C 2.294 179.884 177.584 0.011 0.000 1.158 210 A CA 1.697 53.740 52.037 0.011 0.000 0.661 210 A CB -0.505 18.500 19.000 0.007 0.000 0.801 210 A HN 0.568 nan 8.150 nan 0.000 0.452 211 A N -2.130 120.697 122.820 0.013 0.000 2.067 211 A HA 0.406 4.725 4.320 -0.000 0.000 0.217 211 A C 1.745 179.334 177.584 0.009 0.000 1.156 211 A CA 1.617 53.660 52.037 0.009 0.000 0.683 211 A CB -0.354 18.655 19.000 0.016 0.000 0.808 211 A HN 1.584 nan 8.150 nan 0.000 0.455 212 G N -1.709 107.103 108.800 0.020 0.000 2.672 212 G HA2 0.023 3.983 3.960 -0.000 0.000 0.197 212 G HA3 0.023 3.983 3.960 -0.000 0.000 0.197 212 G C 0.339 175.269 174.900 0.049 0.000 0.995 212 G CA 0.073 45.190 45.100 0.029 0.000 0.754 212 G HN 1.384 nan 8.290 nan 0.000 0.505 213 V N 1.088 121.032 119.914 0.049 0.000 2.843 213 V HA 0.578 4.698 4.120 -0.000 0.000 0.305 213 V C 1.669 177.807 176.094 0.075 0.000 1.065 213 V CA 0.273 62.612 62.300 0.065 0.000 1.116 213 V CB 1.106 32.962 31.823 0.054 0.000 0.968 213 V HN 0.839 nan 8.190 nan 0.000 0.487 214 I N 0.242 120.870 120.570 0.096 0.000 3.928 214 I HA 0.767 4.937 4.170 -0.000 0.000 0.335 214 I C 0.653 176.832 176.117 0.103 0.000 1.325 214 I CA 0.351 61.713 61.300 0.103 0.000 1.107 214 I CB -0.184 37.890 38.000 0.125 0.000 1.014 214 I HN 0.918 nan 8.210 nan 0.000 0.400 215 G N 0.825 109.676 108.800 0.086 0.000 2.506 215 G HA2 0.593 4.553 3.960 -0.000 0.000 0.292 215 G HA3 0.593 4.553 3.960 -0.000 0.000 0.292 215 G C -1.664 173.257 174.900 0.037 0.000 1.425 215 G CA -0.712 44.432 45.100 0.075 0.000 0.788 215 G HN 0.083 nan 8.290 nan 0.000 0.490 219 H N 5.485 124.642 119.070 0.144 0.000 2.600 219 H HA 0.386 4.942 4.556 -0.000 0.000 0.357 219 H C 0.619 175.960 175.328 0.021 0.000 1.106 219 H CA -0.300 55.806 56.048 0.096 0.000 1.193 219 H CB 2.378 32.259 29.762 0.200 0.000 1.594 219 H HN 0.839 nan 8.280 nan 0.000 0.526 220 E N 2.279 122.388 120.200 -0.152 0.000 2.204 220 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 220 E C 0.096 176.724 176.600 0.048 0.000 0.990 220 E CA 1.485 57.860 56.400 -0.042 0.000 0.821 220 E CB 0.177 29.814 29.700 -0.106 0.000 0.750 220 E HN 0.460 nan 8.360 nan 0.000 0.477 221 D N 0.188 120.691 120.400 0.170 0.000 2.263 221 D HA -0.124 4.515 4.640 -0.000 0.000 0.208 221 D C 0.533 176.732 176.300 -0.169 0.000 0.971 221 D CA 0.936 54.886 54.000 -0.083 0.000 0.867 221 D CB -0.215 40.417 40.800 -0.279 0.000 0.929 221 D HN 0.497 nan 8.370 nan 0.000 0.492 222 W N 0.332 121.676 121.300 0.072 0.000 3.132 222 W HA 0.415 5.075 4.660 -0.000 0.000 0.364 222 W C 0.580 177.114 176.519 0.024 0.000 1.129 222 W CA -0.123 57.244 57.345 0.036 0.000 1.815 222 W CB 0.768 30.249 29.460 0.034 0.000 1.099 222 W HN -0.079 nan 8.180 nan 0.000 0.605 223 G N 1.417 110.333 108.800 0.194 0.000 2.830 223 G HA2 0.078 4.038 3.960 -0.000 0.000 0.298 223 G HA3 0.078 4.038 3.960 -0.000 0.000 0.298 223 G C -0.236 174.717 174.900 0.089 0.000 1.031 223 G CA -0.594 44.569 45.100 0.105 0.000 1.179 223 G HN 0.433 nan 8.290 nan 0.000 0.527 224 A N 2.453 125.304 122.820 0.052 0.000 3.091 224 A HA 0.689 5.009 4.320 -0.000 0.000 0.264 224 A C 1.223 178.822 177.584 0.025 0.000 1.673 224 A CA 0.827 52.888 52.037 0.041 0.000 1.362 224 A CB -0.461 18.554 19.000 0.025 0.000 1.137 224 A HN 2.053 nan 8.150 nan 0.000 0.617 225 T N -2.260 112.310 114.554 0.027 0.000 2.918 225 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 225 T C -1.856 172.855 174.700 0.019 0.000 1.001 225 T CA -1.733 60.378 62.100 0.018 0.000 1.041 225 T CB 1.208 70.083 68.868 0.012 0.000 1.028 225 T HN 0.084 nan 8.240 nan 0.000 0.511 226 P HA -0.072 nan 4.420 nan 0.000 0.216 226 P C 1.610 178.912 177.300 0.004 0.000 1.150 226 P CA 1.472 64.578 63.100 0.010 0.000 0.843 226 P CB -0.220 31.482 31.700 0.005 0.000 0.787 227 A N -0.102 122.720 122.820 0.003 0.000 1.873 227 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 227 A C 2.323 179.908 177.584 0.001 0.000 1.186 227 A CA 2.079 54.117 52.037 0.001 0.000 0.616 227 A CB -1.596 17.405 19.000 0.001 0.000 0.823 227 A HN 0.190 nan 8.150 nan 0.000 0.442 228 A N -0.091 122.733 122.820 0.007 0.000 1.877 228 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 228 A C 2.133 179.718 177.584 0.002 0.000 1.186 228 A CA 1.517 53.559 52.037 0.007 0.000 0.620 228 A CB -0.641 18.372 19.000 0.022 0.000 0.822 228 A HN 0.487 nan 8.150 nan 0.000 0.443 229 I N -0.202 120.371 120.570 0.004 0.000 2.163 229 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 229 I C 2.333 178.443 176.117 -0.012 0.000 1.085 229 I CA 1.990 63.287 61.300 -0.004 0.000 1.347 229 I CB -0.389 37.612 38.000 0.001 0.000 1.044 229 I HN 0.430 nan 8.210 nan 0.000 0.408 230 D N 0.063 120.457 120.400 -0.010 0.000 2.117 230 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 230 D C 2.302 178.594 176.300 -0.014 0.000 0.987 230 D CA 1.250 55.243 54.000 -0.013 0.000 0.829 230 D CB -0.170 40.624 40.800 -0.010 0.000 0.961 230 D HN 0.396 nan 8.370 nan 0.000 0.460 231 C N 0.021 119.314 119.300 -0.012 0.000 2.432 231 C HA 0.047 4.507 4.460 -0.000 0.000 0.277 231 C C 2.898 177.878 174.990 -0.017 0.000 1.249 231 C CA 1.556 60.566 59.018 -0.013 0.000 1.725 231 C CB -1.472 26.261 27.740 -0.011 0.000 2.028 231 C HN 0.445 nan 8.230 nan 0.000 0.477 232 A N 0.055 122.864 122.820 -0.019 0.000 1.902 232 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 232 A C 2.173 179.740 177.584 -0.027 0.000 1.181 232 A CA 1.783 53.805 52.037 -0.024 0.000 0.623 232 A CB -0.709 18.275 19.000 -0.028 0.000 0.818 232 A HN 0.674 nan 8.150 nan 0.000 0.443 233 L N -0.852 120.355 121.223 -0.028 0.000 2.141 233 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 233 L C 2.733 179.588 176.870 -0.025 0.000 1.094 233 L CA 1.575 56.397 54.840 -0.031 0.000 0.763 233 L CB -0.662 41.378 42.059 -0.032 0.000 0.908 233 L HN 0.341 nan 8.230 nan 0.000 0.437 234 T N -0.738 113.804 114.554 -0.020 0.000 2.777 234 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 234 T C 1.967 176.657 174.700 -0.016 0.000 1.040 234 T CA 1.294 63.384 62.100 -0.017 0.000 1.141 234 T CB -0.098 68.761 68.868 -0.014 0.000 0.868 234 T HN 0.060 nan 8.240 nan 0.000 0.444 235 V N 1.611 121.515 119.914 -0.017 0.000 2.427 235 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 235 V C 2.843 178.928 176.094 -0.015 0.000 1.051 235 V CA 1.490 63.782 62.300 -0.014 0.000 1.048 235 V CB -1.135 30.680 31.823 -0.014 0.000 0.666 235 V HN 0.503 nan 8.190 nan 0.000 0.456 236 A N -0.115 122.693 122.820 -0.020 0.000 1.902 236 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 236 A C 1.997 179.567 177.584 -0.022 0.000 1.181 236 A CA 2.013 54.037 52.037 -0.022 0.000 0.623 236 A CB -0.607 18.373 19.000 -0.032 0.000 0.818 236 A HN 0.505 nan 8.150 nan 0.000 0.443 237 D N -0.211 120.175 120.400 -0.023 0.000 2.178 237 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 237 D C 2.017 178.307 176.300 -0.017 0.000 0.980 237 D CA 1.574 55.561 54.000 -0.021 0.000 0.842 237 D CB -0.211 40.576 40.800 -0.021 0.000 0.948 237 D HN 0.881 nan 8.370 nan 0.000 0.472 238 E N -0.632 119.560 120.200 -0.014 0.000 2.340 238 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 238 E C 1.545 178.140 176.600 -0.009 0.000 0.996 238 E CA 0.262 56.655 56.400 -0.011 0.000 0.869 238 E CB -0.036 29.658 29.700 -0.010 0.000 0.835 238 E HN 0.200 nan 8.360 nan 0.000 0.493 239 M N 0.913 120.508 119.600 -0.008 0.000 2.333 239 M HA 0.135 4.615 4.480 -0.000 0.000 0.257 239 M C -0.341 175.958 176.300 -0.001 0.000 1.078 239 M CA -0.071 55.227 55.300 -0.003 0.000 1.005 239 M CB 0.461 33.062 32.600 0.001 0.000 1.444 239 M HN -0.110 nan 8.290 nan 0.000 0.496 240 D N 2.826 123.221 120.400 -0.008 0.000 2.705 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.240 240 D C -1.039 175.259 176.300 -0.003 0.000 1.137 240 D CA 0.625 54.619 54.000 -0.010 0.000 0.677 240 D CB -0.807 39.987 40.800 -0.011 0.000 1.049 240 D HN 0.519 nan 8.370 nan 0.000 0.427 241 I N -2.584 117.982 120.570 -0.006 0.000 3.002 241 I HA 0.727 4.897 4.170 -0.000 0.000 0.310 241 I C -0.027 176.078 176.117 -0.020 0.000 1.087 241 I CA -1.170 60.133 61.300 0.004 0.000 1.017 241 I CB 1.512 39.523 38.000 0.019 0.000 1.226 241 I HN -0.121 nan 8.210 nan 0.000 0.443 242 Q N 1.533 121.322 119.800 -0.018 0.000 2.214 242 Q HA 0.738 5.078 4.340 -0.000 0.000 0.251 242 Q C -1.488 174.479 176.000 -0.056 0.000 0.936 242 Q CA -0.642 55.113 55.803 -0.080 0.000 0.894 242 Q CB 1.949 30.552 28.738 -0.226 0.000 1.252 242 Q HN 0.649 nan 8.270 nan 0.000 0.448 243 V N 2.089 121.945 119.914 -0.097 0.000 2.495 243 V HA 0.860 4.980 4.120 -0.000 0.000 0.298 243 V C -0.737 175.238 176.094 -0.199 0.000 1.031 243 V CA -0.664 61.568 62.300 -0.113 0.000 0.871 243 V CB 1.444 33.209 31.823 -0.095 0.000 0.988 243 V HN 0.859 nan 8.190 nan 0.000 0.432 244 A N 5.002 127.628 122.820 -0.323 0.000 2.318 244 A HA 0.886 5.206 4.320 -0.000 0.000 0.324 244 A C -1.147 176.078 177.584 -0.599 0.000 1.170 244 A CA -0.483 51.111 52.037 -0.738 0.000 0.810 244 A CB 1.248 19.479 19.000 -1.282 0.000 1.198 244 A HN 0.810 nan 8.150 nan 0.000 0.484 245 L N 1.985 122.880 121.223 -0.548 0.000 2.346 245 L HA 0.603 4.943 4.340 -0.000 0.000 0.276 245 L C -0.501 176.280 176.870 -0.149 0.000 1.006 245 L CA -0.215 54.471 54.840 -0.257 0.000 0.817 245 L CB 1.668 43.643 42.059 -0.140 0.000 1.272 245 L HN 0.804 nan 8.230 nan 0.000 0.421 246 H N 3.108 122.102 119.070 -0.126 0.000 2.887 246 H HA 0.549 5.105 4.556 -0.000 0.000 0.300 246 H C -0.440 174.847 175.328 -0.068 0.000 1.038 246 H CA -0.413 55.612 56.048 -0.037 0.000 1.352 246 H CB 0.956 30.631 29.762 -0.145 0.000 1.473 246 H HN 0.836 nan 8.280 nan 0.000 0.503 247 S N 2.646 118.443 115.700 0.162 0.000 2.617 247 S HA -0.041 4.429 4.470 -0.000 0.000 0.259 247 S C 0.412 174.989 174.600 -0.038 0.000 1.301 247 S CA -0.834 57.399 58.200 0.055 0.000 0.984 247 S CB 0.963 64.204 63.200 0.068 0.000 0.954 247 S HN 0.758 nan 8.310 nan 0.000 0.572 248 D N 0.495 120.705 120.400 -0.317 0.000 2.398 248 D HA 0.185 4.825 4.640 -0.000 0.000 0.250 248 D C 1.027 177.045 176.300 -0.470 0.000 1.287 248 D CA 0.051 53.839 54.000 -0.353 0.000 0.992 248 D CB -0.204 40.422 40.800 -0.289 0.000 1.071 248 D HN 0.542 nan 8.370 nan 0.000 0.514 249 T N 3.476 117.938 114.554 -0.154 0.000 2.720 249 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 249 T C 1.960 176.671 174.700 0.017 0.000 1.037 249 T CA 0.789 62.884 62.100 -0.010 0.000 1.144 249 T CB -0.038 68.963 68.868 0.220 0.000 0.864 249 T HN 0.439 nan 8.240 nan 0.000 0.444 250 L N 0.960 122.136 121.223 -0.079 0.000 2.456 250 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 250 L C 0.743 177.603 176.870 -0.016 0.000 1.148 250 L CA 0.284 55.068 54.840 -0.092 0.000 0.825 250 L CB -0.776 41.142 42.059 -0.235 0.000 0.937 250 L HN 0.297 nan 8.230 nan 0.000 0.450 251 N N 0.011 118.716 118.700 0.009 0.000 2.714 251 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 251 N C 1.155 176.609 175.510 -0.094 0.000 1.117 251 N CA 1.293 54.385 53.050 0.069 0.000 0.719 251 N CB -1.026 37.585 38.487 0.207 0.000 1.081 251 N HN 0.581 nan 8.380 nan 0.000 0.557 252 E N 0.511 120.659 120.200 -0.087 0.000 2.077 252 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 252 E C 1.479 178.019 176.600 -0.100 0.000 0.989 252 E CA 1.762 58.102 56.400 -0.099 0.000 0.800 252 E CB 0.117 29.758 29.700 -0.099 0.000 0.746 252 E HN 0.556 nan 8.360 nan 0.000 0.452 253 S N -1.280 114.375 115.700 -0.076 0.000 2.511 253 S HA 0.386 4.856 4.470 -0.000 0.000 0.214 253 S C 0.581 175.130 174.600 -0.085 0.000 0.997 253 S CA 0.050 58.212 58.200 -0.062 0.000 0.908 253 S CB 1.304 64.490 63.200 -0.023 0.000 0.803 253 S HN 0.403 nan 8.310 nan 0.000 0.504 254 G N -0.050 108.675 108.800 -0.125 0.000 2.320 254 G HA2 0.399 4.359 3.960 -0.000 0.000 0.297 254 G HA3 0.399 4.359 3.960 -0.000 0.000 0.297 254 G C -1.148 173.636 174.900 -0.193 0.000 1.344 254 G CA -1.137 43.829 45.100 -0.224 0.000 0.851 254 G HN 0.158 nan 8.290 nan 0.000 0.567 255 F N -1.017 118.921 119.950 -0.021 0.000 2.321 255 F HA 0.504 5.031 4.527 -0.000 0.000 0.318 255 F C 1.898 177.309 175.800 -0.649 0.000 1.129 255 F CA 0.001 57.901 58.000 -0.166 0.000 1.074 255 F CB 1.249 40.198 39.000 -0.085 0.000 1.432 255 F HN 0.301 nan 8.300 nan 0.000 0.502 256 V N 1.435 121.007 119.914 -0.570 0.000 2.392 256 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 256 V C 2.227 178.165 176.094 -0.261 0.000 1.059 256 V CA 2.440 64.355 62.300 -0.642 0.000 1.051 256 V CB -0.637 31.047 31.823 -0.232 0.000 0.658 256 V HN 0.823 nan 8.190 nan 0.000 0.455 257 E N -1.008 119.129 120.200 -0.105 0.000 2.204 257 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 257 E C 1.641 178.215 176.600 -0.043 0.000 0.990 257 E CA 1.693 58.067 56.400 -0.042 0.000 0.821 257 E CB -0.615 29.095 29.700 0.016 0.000 0.750 257 E HN 0.674 nan 8.360 nan 0.000 0.477 258 D N 0.931 121.304 120.400 -0.045 0.000 2.123 258 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 258 D C 1.795 178.078 176.300 -0.029 0.000 0.976 258 D CA 1.584 55.568 54.000 -0.027 0.000 0.831 258 D CB -0.082 40.705 40.800 -0.023 0.000 0.974 258 D HN 0.190 nan 8.370 nan 0.000 0.469 259 T N 1.687 116.218 114.554 -0.039 0.000 2.708 259 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 259 T C 2.281 176.959 174.700 -0.038 0.000 1.037 259 T CA 0.549 62.660 62.100 0.018 0.000 1.146 259 T CB -0.268 68.680 68.868 0.133 0.000 0.865 259 T HN 0.084 nan 8.240 nan 0.000 0.435 260 L N 0.678 121.846 121.223 -0.091 0.000 2.079 260 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 260 L C 2.964 179.773 176.870 -0.101 0.000 1.081 260 L CA 1.245 55.995 54.840 -0.149 0.000 0.752 260 L CB -0.591 41.321 42.059 -0.245 0.000 0.896 260 L HN 0.246 nan 8.230 nan 0.000 0.433 261 A N -0.186 122.598 122.820 -0.061 0.000 1.930 261 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 261 A C 2.524 180.092 177.584 -0.027 0.000 1.175 261 A CA 1.547 53.564 52.037 -0.033 0.000 0.627 261 A CB -0.639 18.351 19.000 -0.017 0.000 0.815 261 A HN 0.392 nan 8.150 nan 0.000 0.443 262 A N 0.015 122.820 122.820 -0.024 0.000 1.933 262 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 262 A C 2.064 179.633 177.584 -0.024 0.000 1.175 262 A CA 1.463 53.490 52.037 -0.017 0.000 0.628 262 A CB -0.605 18.392 19.000 -0.006 0.000 0.814 262 A HN 0.502 nan 8.150 nan 0.000 0.444 263 I N -0.433 120.115 120.570 -0.037 0.000 2.361 263 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 263 I C 1.763 177.857 176.117 -0.039 0.000 1.133 263 I CA 0.889 62.162 61.300 -0.044 0.000 1.413 263 I CB -0.671 37.289 38.000 -0.067 0.000 1.073 263 I HN 0.475 nan 8.210 nan 0.000 0.424 264 G N 1.191 109.969 108.800 -0.036 0.000 2.356 264 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.296 264 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.296 264 G C 0.992 175.881 174.900 -0.019 0.000 1.022 264 G CA 0.440 45.526 45.100 -0.023 0.000 0.961 264 G HN 0.931 nan 8.290 nan 0.000 0.510 265 G N -1.745 107.042 108.800 -0.022 0.000 2.155 265 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 265 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 265 G C 0.548 175.438 174.900 -0.017 0.000 0.983 265 G CA 1.097 46.191 45.100 -0.009 0.000 0.676 265 G HN 1.028 nan 8.290 nan 0.000 0.528 266 R N 0.291 120.775 120.500 -0.028 0.000 2.500 266 R HA 0.503 4.843 4.340 -0.000 0.000 0.275 266 R C 0.441 176.716 176.300 -0.041 0.000 1.051 266 R CA -0.147 55.934 56.100 -0.032 0.000 1.088 266 R CB 0.533 30.813 30.300 -0.033 0.000 1.063 266 R HN 0.144 nan 8.270 nan 0.000 0.511 267 T N 2.747 117.274 114.554 -0.045 0.000 2.902 267 T HA 0.226 4.576 4.350 -0.000 0.000 0.301 267 T C 0.110 174.769 174.700 -0.068 0.000 1.012 267 T CA 0.404 62.470 62.100 -0.057 0.000 1.151 267 T CB 0.075 68.904 68.868 -0.063 0.000 0.946 267 T HN 0.378 nan 8.240 nan 0.000 0.542 268 I N 1.701 122.228 120.570 -0.071 0.000 2.787 268 I HA 0.228 4.398 4.170 -0.000 0.000 0.294 268 I C -0.861 175.228 176.117 -0.047 0.000 1.365 268 I CA -0.843 60.411 61.300 -0.076 0.000 1.029 268 I CB 2.116 40.068 38.000 -0.080 0.000 1.313 268 I HN 0.749 nan 8.210 nan 0.000 0.431 269 H N 5.567 124.514 119.070 -0.205 0.000 2.594 269 H HA 0.410 4.966 4.556 -0.000 0.000 0.304 269 H C -0.787 174.404 175.328 -0.227 0.000 1.068 269 H CA -0.557 55.373 56.048 -0.195 0.000 1.308 269 H CB 0.955 30.591 29.762 -0.211 0.000 1.409 269 H HN 0.589 nan 8.280 nan 0.000 0.460 270 T N 3.621 118.221 114.554 0.077 0.000 2.728 270 T HA 0.183 4.533 4.350 -0.000 0.000 0.296 270 T C -0.029 174.663 174.700 -0.013 0.000 0.940 270 T CA -0.785 61.270 62.100 -0.075 0.000 1.013 270 T CB 0.153 68.978 68.868 -0.071 0.000 0.912 270 T HN 0.199 nan 8.240 nan 0.000 0.484 271 F N 3.695 123.407 119.950 -0.395 0.000 2.450 271 F HA 0.233 4.760 4.527 -0.000 0.000 0.339 271 F C 1.551 176.931 175.800 -0.700 0.000 1.146 271 F CA -0.946 56.742 58.000 -0.521 0.000 1.267 271 F CB -0.182 38.422 39.000 -0.660 0.000 1.178 271 F HN 0.955 nan 8.300 nan 0.000 0.585 272 H N -1.034 118.191 119.070 0.258 0.000 2.166 272 H HA -0.202 4.354 4.556 -0.000 0.000 0.323 272 H C 0.705 176.098 175.328 0.108 0.000 0.936 272 H CA 0.464 56.602 56.048 0.151 0.000 1.073 272 H CB -2.419 27.396 29.762 0.088 0.000 1.592 272 H HN 0.516 nan 8.280 nan 0.000 0.346 273 T N -0.714 113.912 114.554 0.120 0.000 2.946 273 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 273 T C 1.743 176.599 174.700 0.261 0.000 1.104 273 T CA 1.219 63.347 62.100 0.047 0.000 1.114 273 T CB 0.044 68.676 68.868 -0.394 0.000 0.867 273 T HN 0.702 nan 8.240 nan 0.000 0.513 274 E N 0.833 121.265 120.200 0.387 0.000 2.152 274 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 274 E C 1.905 178.581 176.600 0.127 0.000 0.983 274 E CA 1.146 57.711 56.400 0.274 0.000 0.818 274 E CB -0.249 29.567 29.700 0.194 0.000 0.758 274 E HN 0.580 nan 8.360 nan 0.000 0.467 275 G N -0.045 108.829 108.800 0.124 0.000 2.307 275 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.210 275 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.210 275 G C 1.384 176.235 174.900 -0.081 0.000 1.005 275 G CA 0.621 45.736 45.100 0.024 0.000 0.634 275 G HN 0.551 nan 8.290 nan 0.000 0.496 276 A N 0.788 123.564 122.820 -0.074 0.000 1.940 276 A HA 0.301 4.621 4.320 -0.000 0.000 0.219 276 A C 2.629 180.130 177.584 -0.138 0.000 1.176 276 A CA 2.500 54.482 52.037 -0.093 0.000 0.631 276 A CB -0.905 18.050 19.000 -0.075 0.000 0.814 276 A HN 1.674 nan 8.150 nan 0.000 0.446 277 G N -1.649 106.992 108.800 -0.265 0.000 2.920 277 G HA2 0.438 4.398 3.960 -0.000 0.000 0.208 277 G HA3 0.438 4.398 3.960 -0.000 0.000 0.208 277 G C 0.664 174.978 174.900 -0.977 0.000 1.159 277 G CA 0.769 45.549 45.100 -0.532 0.000 0.784 277 G HN 1.631 nan 8.290 nan 0.000 0.535 278 G N -2.212 106.109 108.800 -0.798 0.000 2.351 278 G HA2 0.574 4.534 3.960 -0.000 0.000 0.472 278 G HA3 0.574 4.534 3.960 -0.000 0.000 0.472 278 G C -0.314 174.337 174.900 -0.415 0.000 1.570 278 G CA -0.072 44.572 45.100 -0.760 0.000 0.921 278 G HN 1.784 nan 8.290 nan 0.000 0.674 279 G N 0.481 109.181 108.800 -0.167 0.000 2.317 279 G HA2 0.479 4.439 3.960 -0.000 0.000 0.445 279 G HA3 0.479 4.439 3.960 -0.000 0.000 0.445 279 G C -0.494 174.416 174.900 0.017 0.000 1.486 279 G CA -0.441 44.642 45.100 -0.029 0.000 0.991 279 G HN 1.380 nan 8.290 nan 0.000 0.660 280 H N 0.056 119.168 119.070 0.070 0.000 3.223 280 H HA 0.241 4.797 4.556 -0.000 0.000 0.287 280 H C 1.065 176.431 175.328 0.064 0.000 0.910 280 H CA 1.561 57.662 56.048 0.088 0.000 1.406 280 H CB 0.580 30.403 29.762 0.101 0.000 1.377 280 H HN 0.962 nan 8.280 nan 0.000 0.556 281 A N 6.877 129.799 122.820 0.169 0.000 2.301 281 A HA 0.286 4.606 4.320 -0.000 0.000 0.298 281 A C -1.513 176.123 177.584 0.087 0.000 1.185 281 A CA -1.251 50.829 52.037 0.071 0.000 0.830 281 A CB 0.744 19.774 19.000 0.050 0.000 1.112 281 A HN 0.546 nan 8.150 nan 0.000 0.508 282 P HA 0.148 nan 4.420 nan 0.000 0.280 282 P C -0.555 176.727 177.300 -0.030 0.000 1.431 282 P CA 0.196 63.224 63.100 -0.121 0.000 1.058 282 P CB 0.511 32.003 31.700 -0.346 0.000 1.521 283 D N -0.656 119.768 120.400 0.040 0.000 2.525 283 D HA 0.024 4.664 4.640 -0.000 0.000 0.229 283 D C 1.303 177.650 176.300 0.080 0.000 1.202 283 D CA -0.645 53.387 54.000 0.053 0.000 0.828 283 D CB -0.554 40.267 40.800 0.036 0.000 1.008 283 D HN -0.016 nan 8.370 nan 0.000 0.493 284 I N 0.473 121.108 120.570 0.108 0.000 2.567 284 I HA -0.081 4.089 4.170 -0.000 0.000 0.257 284 I C 1.643 177.823 176.117 0.105 0.000 1.184 284 I CA 0.756 62.131 61.300 0.125 0.000 1.451 284 I CB -0.157 37.927 38.000 0.141 0.000 1.089 284 I HN 0.199 nan 8.210 nan 0.000 0.441 285 I N 0.380 121.021 120.570 0.118 0.000 2.567 285 I HA -0.288 3.882 4.170 -0.000 0.000 0.257 285 I C 2.036 178.246 176.117 0.154 0.000 1.184 285 I CA 1.695 63.099 61.300 0.173 0.000 1.451 285 I CB -0.314 37.794 38.000 0.180 0.000 1.089 285 I HN 0.484 nan 8.210 nan 0.000 0.441 286 T N -1.578 113.044 114.554 0.113 0.000 3.098 286 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 286 T C 1.767 176.561 174.700 0.157 0.000 1.145 286 T CA 0.678 62.847 62.100 0.115 0.000 1.092 286 T CB -0.353 68.572 68.868 0.094 0.000 0.908 286 T HN 0.379 nan 8.240 nan 0.000 0.526 287 A N 1.285 124.178 122.820 0.121 0.000 2.015 287 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 287 A C 2.585 180.256 177.584 0.144 0.000 1.163 287 A CA 1.148 53.256 52.037 0.119 0.000 0.646 287 A CB -1.461 17.543 19.000 0.006 0.000 0.806 287 A HN 0.983 nan 8.150 nan 0.000 0.448 288 C N -1.788 117.558 119.300 0.076 0.000 2.485 288 C HA 0.422 4.882 4.460 -0.000 0.000 0.283 288 C C 2.284 177.308 174.990 0.057 0.000 1.478 288 C CA 0.033 59.072 59.018 0.035 0.000 1.741 288 C CB -1.788 25.998 27.740 0.076 0.000 1.675 288 C HN 0.622 nan 8.230 nan 0.000 0.573 289 A N -0.676 122.186 122.820 0.070 0.000 2.132 289 A HA 0.175 4.495 4.320 -0.000 0.000 0.213 289 A C 0.949 178.426 177.584 -0.178 0.000 1.154 289 A CA 0.140 52.137 52.037 -0.068 0.000 0.753 289 A CB -0.541 18.372 19.000 -0.146 0.000 0.826 289 A HN 0.841 nan 8.150 nan 0.000 0.469 290 H N 0.004 119.065 119.070 -0.015 0.000 2.525 290 H HA 0.164 4.720 4.556 -0.000 0.000 0.339 290 H C -1.617 173.695 175.328 -0.027 0.000 1.109 290 H CA -1.419 54.617 56.048 -0.020 0.000 1.352 290 H CB 1.159 30.908 29.762 -0.022 0.000 1.461 290 H HN 0.161 nan 8.280 nan 0.000 0.533 291 P HA -0.127 nan 4.420 nan 0.000 0.221 291 P C 0.768 178.078 177.300 0.017 0.000 1.150 291 P CA 1.030 64.145 63.100 0.024 0.000 0.800 291 P CB 0.368 32.074 31.700 0.011 0.000 0.787 292 N N -0.315 118.405 118.700 0.033 0.000 2.336 292 N HA 0.019 4.758 4.740 -0.000 0.000 0.189 292 N C 0.280 175.777 175.510 -0.021 0.000 1.113 292 N CA 0.130 53.179 53.050 -0.002 0.000 0.858 292 N CB -0.041 38.442 38.487 -0.005 0.000 0.970 292 N HN 0.111 nan 8.380 nan 0.000 0.471 293 I N 1.891 122.457 120.570 -0.006 0.000 2.336 293 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 293 I C -0.092 175.991 176.117 -0.058 0.000 0.991 293 I CA -0.767 60.514 61.300 -0.031 0.000 1.227 293 I CB 1.562 39.553 38.000 -0.014 0.000 1.366 293 I HN -0.069 nan 8.210 nan 0.000 0.466 294 L N 8.580 129.755 121.223 -0.080 0.000 2.283 294 L HA 0.389 4.729 4.340 -0.000 0.000 0.281 294 L C -2.319 174.483 176.870 -0.113 0.000 1.033 294 L CA -1.569 53.193 54.840 -0.131 0.000 0.848 294 L CB 1.194 43.133 42.059 -0.201 0.000 1.226 294 L HN 0.318 nan 8.230 nan 0.000 0.429 295 P HA 0.259 nan 4.420 nan 0.000 0.296 295 P C -0.858 176.302 177.300 -0.233 0.000 1.306 295 P CA -0.322 62.622 63.100 -0.260 0.000 0.818 295 P CB 1.852 33.234 31.700 -0.529 0.000 0.969 296 S N 1.750 117.418 115.700 -0.054 0.000 2.634 296 S HA 0.731 5.201 4.470 -0.000 0.000 0.296 296 S C -0.356 174.349 174.600 0.175 0.000 1.104 296 S CA -0.681 57.600 58.200 0.135 0.000 0.920 296 S CB 1.243 64.683 63.200 0.400 0.000 1.111 296 S HN 0.309 nan 8.310 nan 0.000 0.493 297 S N 1.107 117.018 115.700 0.353 0.000 2.568 297 S HA 0.799 5.269 4.470 -0.000 0.000 0.302 297 S C -0.053 174.680 174.600 0.221 0.000 1.082 297 S CA -0.753 57.684 58.200 0.395 0.000 1.009 297 S CB 1.630 65.184 63.200 0.590 0.000 1.069 297 S HN 0.988 nan 8.310 nan 0.000 0.500 298 T N 0.008 114.659 114.554 0.161 0.000 2.912 298 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 298 T C 0.937 175.655 174.700 0.029 0.000 0.989 298 T CA -0.818 61.292 62.100 0.017 0.000 0.995 298 T CB 0.538 69.370 68.868 -0.060 0.000 1.077 298 T HN 0.581 nan 8.240 nan 0.000 0.531 299 N N 0.232 118.914 118.700 -0.031 0.000 2.446 299 N HA 0.042 4.782 4.740 -0.000 0.000 0.179 299 N C -1.012 174.499 175.510 0.003 0.000 1.054 299 N CA -0.231 52.806 53.050 -0.021 0.000 0.905 299 N CB -1.326 37.126 38.487 -0.058 0.000 0.973 299 N HN 0.421 nan 8.380 nan 0.000 0.448 300 P HA -0.070 nan 4.420 nan 0.000 0.222 300 P C 0.646 178.052 177.300 0.176 0.000 1.147 300 P CA 1.395 64.536 63.100 0.069 0.000 0.790 300 P CB -0.263 31.438 31.700 0.001 0.000 0.780 301 T N -3.540 111.097 114.554 0.137 0.000 3.144 301 T HA 0.234 4.584 4.350 -0.000 0.000 0.249 301 T C 0.634 175.376 174.700 0.069 0.000 1.089 301 T CA -0.128 62.016 62.100 0.073 0.000 0.989 301 T CB -0.544 68.325 68.868 0.002 0.000 0.992 301 T HN -0.017 nan 8.240 nan 0.000 0.540 302 L N 3.157 124.417 121.223 0.061 0.000 2.294 302 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 302 L C -2.474 174.417 176.870 0.035 0.000 1.015 302 L CA -2.310 52.554 54.840 0.040 0.000 0.831 302 L CB 1.952 44.007 42.059 -0.006 0.000 1.217 302 L HN 0.004 nan 8.230 nan 0.000 0.420 303 P HA 0.128 nan 4.420 nan 0.000 0.289 303 P C -1.302 176.086 177.300 0.148 0.000 1.300 303 P CA -0.736 62.420 63.100 0.093 0.000 0.828 303 P CB 1.129 32.882 31.700 0.088 0.000 1.235 304 Y N 1.590 121.895 120.300 0.009 0.000 2.605 304 Y HA 0.279 4.829 4.550 -0.000 0.000 0.336 304 Y C 0.336 176.242 175.900 0.010 0.000 1.111 304 Y CA 0.261 58.361 58.100 -0.001 0.000 1.422 304 Y CB -0.757 37.700 38.460 -0.006 0.000 1.193 304 Y HN 0.383 nan 8.280 nan 0.000 0.526 305 T N 2.702 117.227 114.554 -0.049 0.000 2.888 305 T HA 0.386 4.735 4.350 -0.000 0.000 0.288 305 T C 0.981 175.553 174.700 -0.214 0.000 1.063 305 T CA -0.882 61.119 62.100 -0.166 0.000 1.010 305 T CB 0.896 69.740 68.868 -0.041 0.000 1.214 305 T HN 0.591 nan 8.240 nan 0.000 0.533 306 L N 0.549 121.674 121.223 -0.162 0.000 2.191 306 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 306 L C 2.038 178.885 176.870 -0.037 0.000 1.103 306 L CA 1.101 55.873 54.840 -0.114 0.000 0.769 306 L CB -0.400 41.612 42.059 -0.078 0.000 0.908 306 L HN 0.664 nan 8.230 nan 0.000 0.438 307 N N -1.490 117.204 118.700 -0.010 0.000 2.236 307 N HA -0.007 4.733 4.740 -0.000 0.000 0.196 307 N C 1.568 177.116 175.510 0.063 0.000 1.114 307 N CA 0.418 53.482 53.050 0.022 0.000 0.859 307 N CB 0.400 38.896 38.487 0.015 0.000 0.982 307 N HN 0.195 nan 8.380 nan 0.000 0.493 308 T N 2.274 116.881 114.554 0.087 0.000 2.607 308 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 308 T C 1.978 176.781 174.700 0.170 0.000 1.049 308 T CA 0.860 63.051 62.100 0.152 0.000 1.162 308 T CB 0.029 69.001 68.868 0.173 0.000 0.863 308 T HN 0.108 nan 8.240 nan 0.000 0.424 309 I N 1.835 122.471 120.570 0.110 0.000 2.179 309 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 309 I C 2.091 178.266 176.117 0.096 0.000 1.088 309 I CA 1.604 62.947 61.300 0.072 0.000 1.357 309 I CB -1.465 36.575 38.000 0.067 0.000 1.051 309 I HN 0.297 nan 8.210 nan 0.000 0.409 310 D N 0.865 121.312 120.400 0.078 0.000 2.158 310 D HA -0.251 4.389 4.640 -0.000 0.000 0.197 310 D C 1.987 178.317 176.300 0.051 0.000 0.995 310 D CA 1.559 55.591 54.000 0.054 0.000 0.846 310 D CB -0.146 40.675 40.800 0.036 0.000 0.941 310 D HN 0.636 nan 8.370 nan 0.000 0.456 311 E N -0.554 119.688 120.200 0.070 0.000 2.371 311 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 311 E C 1.377 177.962 176.600 -0.025 0.000 1.012 311 E CA 0.660 57.069 56.400 0.014 0.000 0.860 311 E CB -0.144 29.549 29.700 -0.011 0.000 0.811 311 E HN 0.368 nan 8.360 nan 0.000 0.502 312 H N 0.281 119.330 119.070 -0.036 0.000 2.389 312 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 312 H C 1.819 177.108 175.328 -0.065 0.000 1.081 312 H CA 1.480 57.496 56.048 -0.052 0.000 1.345 312 H CB -0.033 29.700 29.762 -0.048 0.000 1.393 312 H HN 0.160 nan 8.280 nan 0.000 0.520 313 L N 0.709 121.957 121.223 0.042 0.000 1.971 313 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 313 L C 1.512 178.352 176.870 -0.049 0.000 1.072 313 L CA 2.006 56.840 54.840 -0.012 0.000 0.758 313 L CB -0.489 41.566 42.059 -0.007 0.000 0.889 313 L HN 0.272 nan 8.230 nan 0.000 0.433 314 D N -1.063 119.305 120.400 -0.055 0.000 2.224 314 D HA -0.186 4.454 4.640 -0.000 0.000 0.205 314 D C 2.154 178.390 176.300 -0.107 0.000 0.965 314 D CA 1.323 55.280 54.000 -0.071 0.000 0.852 314 D CB 0.028 40.792 40.800 -0.060 0.000 0.947 314 D HN 0.482 nan 8.370 nan 0.000 0.494 315 M N 0.480 119.998 119.600 -0.137 0.000 2.099 315 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 315 M C 1.980 178.168 176.300 -0.186 0.000 1.067 315 M CA 0.892 56.076 55.300 -0.193 0.000 1.124 315 M CB 0.041 32.472 32.600 -0.282 0.000 1.353 315 M HN -0.038 nan 8.290 nan 0.000 0.410 316 L N 1.338 122.479 121.223 -0.138 0.000 1.989 316 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 316 L C 2.327 179.153 176.870 -0.073 0.000 1.071 316 L CA 2.028 56.820 54.840 -0.080 0.000 0.749 316 L CB -1.122 40.891 42.059 -0.078 0.000 0.890 316 L HN 0.441 nan 8.230 nan 0.000 0.431 317 M N -1.138 118.409 119.600 -0.088 0.000 2.082 317 M HA -0.208 4.272 4.480 -0.000 0.000 0.258 317 M C 2.264 178.502 176.300 -0.103 0.000 1.071 317 M CA 1.663 56.922 55.300 -0.068 0.000 1.103 317 M CB -1.238 31.330 32.600 -0.053 0.000 1.307 317 M HN 0.130 nan 8.290 nan 0.000 0.409 318 V N 0.684 120.512 119.914 -0.143 0.000 2.407 318 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 318 V C 2.740 178.636 176.094 -0.330 0.000 1.055 318 V CA 1.860 64.047 62.300 -0.188 0.000 1.049 318 V CB -1.432 30.284 31.823 -0.179 0.000 0.662 318 V HN 0.536 nan 8.190 nan 0.000 0.455 319 A N -1.335 121.251 122.820 -0.389 0.000 2.015 319 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 319 A C 1.817 178.891 177.584 -0.849 0.000 1.163 319 A CA 1.436 53.110 52.037 -0.605 0.000 0.646 319 A CB -0.464 18.156 19.000 -0.634 0.000 0.806 319 A HN 0.705 nan 8.150 nan 0.000 0.448 320 H N -1.704 117.166 119.070 -0.334 0.000 2.581 320 H HA 0.141 4.697 4.556 -0.000 0.000 0.275 320 H C -0.421 174.764 175.328 -0.239 0.000 1.126 320 H CA 0.064 55.942 56.048 -0.284 0.000 1.097 320 H CB 0.026 29.756 29.762 -0.052 0.000 1.626 320 H HN 0.646 nan 8.280 nan 0.000 0.565 321 H N -0.281 118.808 119.070 0.032 0.000 2.713 321 H HA -0.161 4.395 4.556 -0.000 0.000 0.311 321 H C 0.054 175.411 175.328 0.049 0.000 1.175 321 H CA 0.388 56.447 56.048 0.018 0.000 1.143 321 H CB -2.366 27.398 29.762 0.004 0.000 1.434 321 H HN 0.349 nan 8.280 nan 0.000 0.418 322 L N 0.656 121.946 121.223 0.113 0.000 2.357 322 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 322 L C 1.019 177.933 176.870 0.074 0.000 1.080 322 L CA -0.311 54.599 54.840 0.116 0.000 0.803 322 L CB 1.062 43.191 42.059 0.116 0.000 1.174 322 L HN 0.011 nan 8.230 nan 0.000 0.443 323 D N 3.781 124.225 120.400 0.074 0.000 2.373 323 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 323 D C -1.619 174.706 176.300 0.042 0.000 1.091 323 D CA -1.978 52.051 54.000 0.049 0.000 0.840 323 D CB 1.877 42.704 40.800 0.045 0.000 1.060 323 D HN 0.230 nan 8.370 nan 0.000 0.502 324 P HA -0.070 nan 4.420 nan 0.000 0.228 324 P C 0.417 177.730 177.300 0.021 0.000 1.151 324 P CA 0.590 63.701 63.100 0.019 0.000 0.770 324 P CB 0.727 32.431 31.700 0.007 0.000 0.786 325 D N -0.188 120.226 120.400 0.022 0.000 2.305 325 D HA 0.095 4.735 4.640 -0.000 0.000 0.206 325 D C 1.002 177.317 176.300 0.026 0.000 0.974 325 D CA 0.323 54.335 54.000 0.021 0.000 0.871 325 D CB 0.175 40.985 40.800 0.017 0.000 0.947 325 D HN 0.280 nan 8.370 nan 0.000 0.516 326 I N 1.641 122.232 120.570 0.034 0.000 2.308 326 I HA 0.089 4.259 4.170 -0.000 0.000 0.293 326 I C 1.606 177.752 176.117 0.048 0.000 1.078 326 I CA -0.528 60.796 61.300 0.039 0.000 1.292 326 I CB 1.598 39.624 38.000 0.044 0.000 1.423 326 I HN -0.161 nan 8.210 nan 0.000 0.493 327 A N 5.387 128.232 122.820 0.041 0.000 1.915 327 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 327 A C 2.039 179.661 177.584 0.064 0.000 1.198 327 A CA 1.918 53.983 52.037 0.046 0.000 0.647 327 A CB -0.364 18.658 19.000 0.037 0.000 0.825 327 A HN 0.746 nan 8.150 nan 0.000 0.456 328 E N -0.014 120.225 120.200 0.064 0.000 2.204 328 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 328 E C 1.506 178.196 176.600 0.149 0.000 0.990 328 E CA 1.231 57.680 56.400 0.081 0.000 0.821 328 E CB -0.239 29.487 29.700 0.042 0.000 0.750 328 E HN 0.619 nan 8.360 nan 0.000 0.477 329 D N -0.777 119.710 120.400 0.146 0.000 2.149 329 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 329 D C 1.982 178.388 176.300 0.177 0.000 0.972 329 D CA 1.315 55.448 54.000 0.222 0.000 0.835 329 D CB -0.034 40.853 40.800 0.147 0.000 0.966 329 D HN 0.246 nan 8.370 nan 0.000 0.476 330 V N -1.381 118.592 119.914 0.098 0.000 2.719 330 V HA 0.130 4.250 4.120 -0.000 0.000 0.252 330 V C 2.145 178.269 176.094 0.049 0.000 1.065 330 V CA 1.245 63.572 62.300 0.046 0.000 1.086 330 V CB -0.697 31.145 31.823 0.032 0.000 0.700 330 V HN 0.083 nan 8.190 nan 0.000 0.467 331 A N 0.923 123.800 122.820 0.094 0.000 1.930 331 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 331 A C 2.044 179.711 177.584 0.139 0.000 1.175 331 A CA 1.737 53.834 52.037 0.100 0.000 0.627 331 A CB -0.802 18.261 19.000 0.105 0.000 0.815 331 A HN 0.832 nan 8.150 nan 0.000 0.443 332 F N 0.564 120.518 119.950 0.008 0.000 2.456 332 F HA 0.255 4.782 4.527 -0.000 0.000 0.298 332 F C 2.058 177.850 175.800 -0.015 0.000 1.104 332 F CA 0.713 58.710 58.000 -0.004 0.000 1.435 332 F CB -0.265 38.729 39.000 -0.011 0.000 1.078 332 F HN 0.195 nan 8.300 nan 0.000 0.546 333 A N 0.796 123.396 122.820 -0.367 0.000 1.897 333 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 333 A C 2.154 179.611 177.584 -0.212 0.000 1.181 333 A CA 1.454 53.226 52.037 -0.441 0.000 0.620 333 A CB -0.767 18.079 19.000 -0.256 0.000 0.821 333 A HN 0.522 nan 8.150 nan 0.000 0.443 334 E N 0.542 120.684 120.200 -0.096 0.000 2.150 334 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 334 E C 2.159 178.732 176.600 -0.044 0.000 0.985 334 E CA 1.323 57.697 56.400 -0.044 0.000 0.814 334 E CB -0.201 29.501 29.700 0.003 0.000 0.752 334 E HN 0.765 nan 8.360 nan 0.000 0.466 335 S N 0.565 116.247 115.700 -0.029 0.000 2.507 335 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 335 S C 1.762 176.292 174.600 -0.117 0.000 0.988 335 S CA 0.480 58.658 58.200 -0.037 0.000 0.944 335 S CB -0.017 63.212 63.200 0.047 0.000 0.762 335 S HN 0.140 nan 8.310 nan 0.000 0.526 336 R N 0.067 120.490 120.500 -0.130 0.000 2.223 336 R HA 0.383 4.723 4.340 -0.000 0.000 0.198 336 R C -0.093 176.118 176.300 -0.149 0.000 0.984 336 R CA 0.360 56.372 56.100 -0.147 0.000 1.018 336 R CB 0.038 30.226 30.300 -0.186 0.000 0.945 336 R HN 0.434 nan 8.270 nan 0.000 0.479 337 I N 1.989 122.480 120.570 -0.132 0.000 2.291 337 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 337 I C -0.516 175.525 176.117 -0.126 0.000 1.050 337 I CA -0.152 61.072 61.300 -0.127 0.000 1.245 337 I CB 1.033 38.987 38.000 -0.075 0.000 1.405 337 I HN -0.127 nan 8.210 nan 0.000 0.478 338 R N 4.995 125.400 120.500 -0.159 0.000 2.483 338 R HA 0.362 4.702 4.340 -0.000 0.000 0.303 338 R C 0.875 177.094 176.300 -0.135 0.000 0.987 338 R CA -0.807 55.218 56.100 -0.125 0.000 0.881 338 R CB 2.115 32.289 30.300 -0.211 0.000 1.177 338 R HN 0.490 nan 8.270 nan 0.000 0.451 339 R N 1.834 122.279 120.500 -0.092 0.000 2.105 339 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 339 R C 0.588 176.744 176.300 -0.240 0.000 1.135 339 R CA 1.947 57.944 56.100 -0.172 0.000 0.967 339 R CB 0.268 30.549 30.300 -0.032 0.000 0.861 339 R HN 0.564 nan 8.270 nan 0.000 0.442 340 E N -0.467 119.676 120.200 -0.094 0.000 2.058 340 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 340 E C 2.017 178.551 176.600 -0.111 0.000 0.997 340 E CA 2.294 58.655 56.400 -0.065 0.000 0.801 340 E CB -0.290 29.442 29.700 0.053 0.000 0.746 340 E HN 0.591 nan 8.360 nan 0.000 0.450 341 T N -1.368 113.118 114.554 -0.113 0.000 2.985 341 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 341 T C 2.004 176.601 174.700 -0.171 0.000 1.076 341 T CA 0.497 62.529 62.100 -0.113 0.000 1.135 341 T CB -0.261 68.558 68.868 -0.083 0.000 0.890 341 T HN 0.032 nan 8.240 nan 0.000 0.480 342 I N 1.717 122.137 120.570 -0.251 0.000 2.252 342 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 342 I C 3.145 179.028 176.117 -0.391 0.000 1.102 342 I CA 1.174 62.288 61.300 -0.310 0.000 1.385 342 I CB -0.482 37.284 38.000 -0.390 0.000 1.064 342 I HN 0.341 nan 8.210 nan 0.000 0.414 343 A N 0.625 123.111 122.820 -0.556 0.000 1.898 343 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 343 A C 2.522 180.010 177.584 -0.159 0.000 1.181 343 A CA 1.585 53.366 52.037 -0.427 0.000 0.620 343 A CB -0.716 18.046 19.000 -0.395 0.000 0.819 343 A HN 0.409 nan 8.150 nan 0.000 0.442 344 A N -0.167 122.558 122.820 -0.157 0.000 1.930 344 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 344 A C 1.992 179.467 177.584 -0.182 0.000 1.175 344 A CA 1.737 53.700 52.037 -0.122 0.000 0.627 344 A CB -0.558 18.381 19.000 -0.101 0.000 0.815 344 A HN 0.691 nan 8.150 nan 0.000 0.443 345 E N 0.066 120.125 120.200 -0.236 0.000 2.097 345 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 345 E C 1.249 177.710 176.600 -0.232 0.000 1.000 345 E CA 1.710 57.878 56.400 -0.388 0.000 0.804 345 E CB -0.216 29.334 29.700 -0.250 0.000 0.740 345 E HN 0.548 nan 8.360 nan 0.000 0.454 346 D N -0.034 120.331 120.400 -0.058 0.000 2.104 346 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 346 D C 2.062 178.401 176.300 0.065 0.000 0.994 346 D CA 1.354 55.389 54.000 0.059 0.000 0.830 346 D CB -0.249 40.603 40.800 0.086 0.000 0.959 346 D HN 0.133 nan 8.370 nan 0.000 0.452 347 V N 0.791 120.708 119.914 0.004 0.000 2.358 347 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 347 V C 2.573 178.652 176.094 -0.025 0.000 1.047 347 V CA 1.034 63.342 62.300 0.014 0.000 1.035 347 V CB -0.487 31.335 31.823 -0.001 0.000 0.658 347 V HN 0.208 nan 8.190 nan 0.000 0.452 348 L N -0.834 120.303 121.223 -0.144 0.000 2.191 348 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 348 L C 2.456 179.215 176.870 -0.185 0.000 1.103 348 L CA 1.654 56.372 54.840 -0.205 0.000 0.769 348 L CB -0.686 41.119 42.059 -0.423 0.000 0.908 348 L HN 0.419 nan 8.230 nan 0.000 0.438 349 H N -1.018 117.955 119.070 -0.162 0.000 2.363 349 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 349 H C 1.939 177.172 175.328 -0.158 0.000 1.074 349 H CA 1.572 57.546 56.048 -0.124 0.000 1.354 349 H CB 0.191 29.896 29.762 -0.095 0.000 1.397 349 H HN 0.187 nan 8.280 nan 0.000 0.516 350 D N -0.067 120.410 120.400 0.128 0.000 2.178 350 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 350 D C 1.597 177.963 176.300 0.110 0.000 0.980 350 D CA 0.735 54.849 54.000 0.189 0.000 0.842 350 D CB 0.019 40.961 40.800 0.238 0.000 0.948 350 D HN 0.326 nan 8.370 nan 0.000 0.472 351 L N -1.465 119.796 121.223 0.063 0.000 2.509 351 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 351 L C 1.607 178.512 176.870 0.058 0.000 1.123 351 L CA 0.496 55.375 54.840 0.065 0.000 0.856 351 L CB 0.017 42.101 42.059 0.041 0.000 0.985 351 L HN 0.224 nan 8.230 nan 0.000 0.456 352 G N -0.396 108.416 108.800 0.020 0.000 2.132 352 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.234 352 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.234 352 G C 0.906 175.824 174.900 0.031 0.000 0.989 352 G CA 0.382 45.495 45.100 0.022 0.000 0.676 352 G HN 0.400 nan 8.290 nan 0.000 0.522 353 A N -0.936 121.909 122.820 0.042 0.000 1.975 353 A HA 0.624 4.944 4.320 -0.000 0.000 0.215 353 A C 0.680 178.371 177.584 0.178 0.000 1.170 353 A CA 0.833 52.928 52.037 0.097 0.000 0.656 353 A CB 0.034 19.102 19.000 0.114 0.000 0.821 353 A HN 0.583 nan 8.150 nan 0.000 0.449 354 F N -0.119 119.675 119.950 -0.260 0.000 2.420 354 F HA 0.430 4.957 4.527 -0.000 0.000 0.342 354 F C 1.138 176.786 175.800 -0.254 0.000 1.113 354 F CA -0.979 56.798 58.000 -0.370 0.000 1.059 354 F CB 1.955 40.401 39.000 -0.923 0.000 1.128 354 F HN -0.024 nan 8.300 nan 0.000 0.475 355 S N 2.447 118.133 115.700 -0.023 0.000 2.512 355 S HA 0.349 4.819 4.470 -0.000 0.000 0.216 355 S C -0.201 174.428 174.600 0.048 0.000 1.006 355 S CA 0.029 58.229 58.200 0.000 0.000 0.915 355 S CB 0.282 63.450 63.200 -0.053 0.000 0.824 355 S HN 0.255 nan 8.310 nan 0.000 0.497 356 L N 1.292 122.590 121.223 0.126 0.000 2.376 356 L HA 0.594 4.934 4.340 -0.000 0.000 0.258 356 L C -0.189 176.846 176.870 0.275 0.000 1.013 356 L CA -0.374 54.560 54.840 0.156 0.000 0.822 356 L CB 1.943 44.056 42.059 0.089 0.000 1.388 356 L HN 0.054 nan 8.230 nan 0.000 0.413 357 T N -2.008 112.663 114.554 0.194 0.000 2.893 357 T HA 0.959 5.309 4.350 -0.000 0.000 0.291 357 T C -0.447 174.324 174.700 0.119 0.000 1.028 357 T CA -0.526 61.659 62.100 0.142 0.000 0.995 357 T CB 1.877 70.763 68.868 0.031 0.000 1.051 357 T HN 0.789 nan 8.240 nan 0.000 0.470 358 S N 0.335 116.078 115.700 0.070 0.000 2.643 358 S HA 0.641 5.111 4.470 -0.000 0.000 0.270 358 S C 0.885 175.451 174.600 -0.056 0.000 1.166 358 S CA -0.126 58.090 58.200 0.027 0.000 0.815 358 S CB 1.129 64.364 63.200 0.058 0.000 1.139 358 S HN 1.146 nan 8.310 nan 0.000 0.472 359 S N 0.219 115.858 115.700 -0.102 0.000 2.339 359 S HA 0.227 4.697 4.470 -0.000 0.000 0.213 359 S C 0.393 174.838 174.600 -0.258 0.000 1.033 359 S CA 1.252 59.363 58.200 -0.149 0.000 0.950 359 S CB -0.822 62.302 63.200 -0.126 0.000 0.893 359 S HN 1.364 nan 8.310 nan 0.000 0.492 360 D N 1.387 121.570 120.400 -0.361 0.000 2.865 360 D HA -0.130 4.510 4.640 -0.000 0.000 0.231 360 D C -0.380 175.801 176.300 -0.199 0.000 1.069 360 D CA 0.691 54.383 54.000 -0.514 0.000 0.761 360 D CB -1.952 38.462 40.800 -0.643 0.000 1.081 360 D HN 0.676 nan 8.370 nan 0.000 0.440 361 S N 0.782 116.416 115.700 -0.110 0.000 2.885 361 S HA -0.010 4.460 4.470 -0.000 0.000 0.334 361 S C 1.031 175.550 174.600 -0.136 0.000 1.224 361 S CA 1.054 59.187 58.200 -0.112 0.000 1.080 361 S CB 0.807 63.941 63.200 -0.110 0.000 0.801 361 S HN 0.452 nan 8.310 nan 0.000 0.510 362 Q N 0.231 119.935 119.800 -0.160 0.000 2.450 362 Q HA -0.285 4.055 4.340 -0.000 0.000 0.255 362 Q C 0.370 176.202 176.000 -0.280 0.000 1.003 362 Q CA 1.034 56.732 55.803 -0.176 0.000 1.097 362 Q CB -2.075 26.606 28.738 -0.096 0.000 1.544 362 Q HN 1.237 nan 8.270 nan 0.000 0.531 363 A N 0.042 122.633 122.820 -0.382 0.000 3.106 363 A HA 0.573 4.893 4.320 -0.000 0.000 0.227 363 A C 0.392 177.751 177.584 -0.374 0.000 0.920 363 A CA 0.170 51.900 52.037 -0.511 0.000 1.088 363 A CB 0.500 18.878 19.000 -1.037 0.000 1.233 363 A HN 0.343 nan 8.150 nan 0.000 0.503 364 M N -1.359 118.061 119.600 -0.300 0.000 2.849 364 M HA -0.130 4.350 4.480 -0.000 0.000 0.229 364 M C 0.102 176.275 176.300 -0.212 0.000 0.488 364 M CA 0.816 55.968 55.300 -0.247 0.000 0.769 364 M CB -1.396 31.088 32.600 -0.193 0.000 2.818 364 M HN 1.202 nan 8.290 nan 0.000 0.664 365 G N 0.559 109.233 108.800 -0.211 0.000 2.579 365 G HA2 0.686 4.646 3.960 -0.000 0.000 0.292 365 G HA3 0.686 4.646 3.960 -0.000 0.000 0.292 365 G C -1.455 173.349 174.900 -0.159 0.000 1.484 365 G CA -1.125 43.868 45.100 -0.180 0.000 0.813 365 G HN 0.242 nan 8.290 nan 0.000 0.515 366 R N 1.531 121.950 120.500 -0.135 0.000 2.275 366 R HA 0.394 4.734 4.340 -0.000 0.000 0.326 366 R C 0.978 177.211 176.300 -0.111 0.000 0.973 366 R CA -0.737 55.290 56.100 -0.122 0.000 0.854 366 R CB 2.068 32.296 30.300 -0.121 0.000 1.156 366 R HN 0.315 nan 8.270 nan 0.000 0.487 367 V N 2.788 122.640 119.914 -0.102 0.000 2.546 367 V HA -0.161 3.959 4.120 -0.000 0.000 0.254 367 V C 1.484 177.533 176.094 -0.075 0.000 1.076 367 V CA 2.549 64.795 62.300 -0.089 0.000 1.087 367 V CB -0.070 31.706 31.823 -0.078 0.000 0.674 367 V HN 1.003 nan 8.190 nan 0.000 0.470 368 G N -1.407 107.347 108.800 -0.077 0.000 3.284 368 G HA2 0.114 4.074 3.960 -0.000 0.000 0.236 368 G HA3 0.114 4.074 3.960 -0.000 0.000 0.236 368 G C 0.759 175.615 174.900 -0.074 0.000 1.158 368 G CA 0.071 45.132 45.100 -0.065 0.000 0.774 368 G HN 0.610 nan 8.290 nan 0.000 0.545 369 E N 0.073 120.217 120.200 -0.093 0.000 2.734 369 E HA 0.152 4.502 4.350 -0.000 0.000 0.211 369 E C 1.431 177.963 176.600 -0.114 0.000 0.991 369 E CA -0.232 56.108 56.400 -0.100 0.000 1.065 369 E CB 1.115 30.747 29.700 -0.113 0.000 1.047 369 E HN 0.187 nan 8.360 nan 0.000 0.470 370 V N 0.837 120.672 119.914 -0.131 0.000 2.270 370 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 370 V C 2.168 178.086 176.094 -0.294 0.000 1.043 370 V CA 1.568 63.767 62.300 -0.167 0.000 1.014 370 V CB -0.257 31.483 31.823 -0.137 0.000 0.645 370 V HN 0.348 nan 8.190 nan 0.000 0.447 371 I N -0.284 120.053 120.570 -0.387 0.000 2.163 371 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 371 I C 2.470 178.436 176.117 -0.251 0.000 1.081 371 I CA 1.699 62.638 61.300 -0.601 0.000 1.353 371 I CB -0.389 37.331 38.000 -0.467 0.000 1.054 371 I HN 0.291 nan 8.210 nan 0.000 0.407 372 L N 0.980 122.137 121.223 -0.110 0.000 2.013 372 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 372 L C 2.815 179.676 176.870 -0.014 0.000 1.073 372 L CA 1.781 56.612 54.840 -0.014 0.000 0.753 372 L CB -0.286 41.768 42.059 -0.008 0.000 0.890 372 L HN 0.148 nan 8.230 nan 0.000 0.432 373 R N -1.110 119.346 120.500 -0.073 0.000 2.115 373 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 373 R C 2.122 178.367 176.300 -0.092 0.000 1.100 373 R CA 1.644 57.707 56.100 -0.062 0.000 0.980 373 R CB -0.459 29.801 30.300 -0.066 0.000 0.875 373 R HN 0.425 nan 8.270 nan 0.000 0.445 374 T N -0.164 114.274 114.554 -0.193 0.000 2.746 374 T HA -0.165 4.184 4.350 -0.000 0.000 0.267 374 T C 1.201 175.715 174.700 -0.311 0.000 1.039 374 T CA 1.299 63.239 62.100 -0.265 0.000 1.142 374 T CB -0.185 68.466 68.868 -0.362 0.000 0.866 374 T HN 0.447 nan 8.240 nan 0.000 0.444 375 W N 1.435 122.726 121.300 -0.014 0.000 2.436 375 W HA 0.037 4.697 4.660 -0.000 0.000 0.284 375 W C 2.613 179.090 176.519 -0.070 0.000 1.225 375 W CA -0.034 57.279 57.345 -0.053 0.000 1.271 375 W CB -0.202 29.237 29.460 -0.034 0.000 1.114 375 W HN 0.290 nan 8.180 nan 0.000 0.559 376 Q N 0.022 119.897 119.800 0.124 0.000 2.119 376 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 376 Q C 2.128 178.181 176.000 0.089 0.000 0.972 376 Q CA 1.566 57.422 55.803 0.087 0.000 0.847 376 Q CB -0.461 28.303 28.738 0.043 0.000 0.903 376 Q HN 0.189 nan 8.270 nan 0.000 0.433 377 V N 0.923 120.853 119.914 0.027 0.000 2.307 377 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 377 V C 2.294 178.352 176.094 -0.060 0.000 1.045 377 V CA 1.803 64.124 62.300 0.034 0.000 1.024 377 V CB -1.021 30.847 31.823 0.074 0.000 0.651 377 V HN 0.395 nan 8.190 nan 0.000 0.449 378 A N -0.152 122.454 122.820 -0.355 0.000 1.883 378 A HA -0.346 3.974 4.320 -0.000 0.000 0.217 378 A C 2.113 179.607 177.584 -0.150 0.000 1.186 378 A CA 2.601 54.249 52.037 -0.648 0.000 0.624 378 A CB -0.949 17.565 19.000 -0.810 0.000 0.822 378 A HN 0.804 nan 8.150 nan 0.000 0.444 379 H N -0.708 118.314 119.070 -0.080 0.000 2.290 379 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 379 H C 2.244 177.570 175.328 -0.002 0.000 1.087 379 H CA 2.015 58.053 56.048 -0.016 0.000 1.291 379 H CB -0.023 29.745 29.762 0.010 0.000 1.369 379 H HN 0.236 nan 8.280 nan 0.000 0.492 380 R N -0.242 120.288 120.500 0.050 0.000 2.120 380 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 380 R C 2.203 178.486 176.300 -0.028 0.000 1.123 380 R CA 1.192 57.297 56.100 0.008 0.000 0.975 380 R CB -0.306 30.054 30.300 0.100 0.000 0.866 380 R HN 0.482 nan 8.270 nan 0.000 0.446 381 M N 0.267 119.865 119.600 -0.004 0.000 2.200 381 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 381 M C 2.113 178.413 176.300 0.000 0.000 1.066 381 M CA 1.217 56.535 55.300 0.030 0.000 1.127 381 M CB -0.648 32.014 32.600 0.102 0.000 1.379 381 M HN 0.042 nan 8.290 nan 0.000 0.420 382 K N 0.395 120.768 120.400 -0.045 0.000 2.025 382 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 382 K C 1.837 178.397 176.600 -0.067 0.000 1.049 382 K CA 1.219 57.483 56.287 -0.038 0.000 0.933 382 K CB 0.022 32.495 32.500 -0.044 0.000 0.714 382 K HN 0.065 nan 8.250 nan 0.000 0.438 383 V N 1.603 121.425 119.914 -0.152 0.000 2.332 383 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 383 V C 2.308 178.367 176.094 -0.059 0.000 1.055 383 V CA 1.983 64.199 62.300 -0.140 0.000 1.038 383 V CB -0.408 31.271 31.823 -0.240 0.000 0.651 383 V HN 0.452 nan 8.190 nan 0.000 0.450 384 Q N -0.793 118.985 119.800 -0.037 0.000 2.165 384 Q HA 0.025 4.365 4.340 -0.000 0.000 0.197 384 Q C 2.237 178.243 176.000 0.009 0.000 0.952 384 Q CA 0.853 56.654 55.803 -0.004 0.000 0.848 384 Q CB 0.038 28.784 28.738 0.014 0.000 0.931 384 Q HN 0.564 nan 8.270 nan 0.000 0.470 385 R N -0.178 120.333 120.500 0.017 0.000 2.334 385 R HA 0.250 4.590 4.340 -0.000 0.000 0.212 385 R C 0.733 177.050 176.300 0.029 0.000 0.897 385 R CA 0.487 56.605 56.100 0.029 0.000 1.056 385 R CB 0.978 31.307 30.300 0.047 0.000 1.046 385 R HN 0.218 nan 8.270 nan 0.000 0.513 386 G N 1.505 110.318 108.800 0.021 0.000 2.593 386 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G C -0.315 174.612 174.900 0.044 0.000 1.312 386 G CA -0.403 44.712 45.100 0.024 0.000 0.896 386 G HN 0.430 nan 8.290 nan 0.000 0.574 387 A N -0.512 122.335 122.820 0.045 0.000 2.407 387 A HA 0.624 4.944 4.320 -0.000 0.000 0.248 387 A C 0.914 178.544 177.584 0.078 0.000 1.082 387 A CA 0.191 52.266 52.037 0.064 0.000 0.785 387 A CB 0.102 19.131 19.000 0.049 0.000 1.020 387 A HN 1.197 nan 8.150 nan 0.000 0.489 388 L N 1.354 122.647 121.223 0.117 0.000 2.453 388 L HA 0.255 4.595 4.340 -0.000 0.000 0.261 388 L C 1.825 178.734 176.870 0.064 0.000 1.179 388 L CA -0.008 54.910 54.840 0.129 0.000 0.813 388 L CB 0.759 42.967 42.059 0.248 0.000 1.110 388 L HN 0.897 nan 8.230 nan 0.000 0.466 389 A N 1.239 124.079 122.820 0.033 0.000 2.070 389 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 389 A C 1.789 179.325 177.584 -0.081 0.000 1.159 389 A CA 1.405 53.433 52.037 -0.015 0.000 0.656 389 A CB -0.384 18.607 19.000 -0.014 0.000 0.800 389 A HN 0.869 nan 8.150 nan 0.000 0.453 390 E N 0.508 120.612 120.200 -0.160 0.000 2.435 390 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 390 E C 0.192 176.621 176.600 -0.284 0.000 1.029 390 E CA 0.009 56.163 56.400 -0.409 0.000 0.865 390 E CB 0.109 29.125 29.700 -1.141 0.000 0.833 390 E HN 0.473 nan 8.360 nan 0.000 0.510 391 E N 0.687 120.852 120.200 -0.059 0.000 2.413 391 E HA 0.083 4.433 4.350 -0.000 0.000 0.263 391 E C -0.250 176.349 176.600 -0.001 0.000 1.015 391 E CA 0.445 56.866 56.400 0.036 0.000 0.916 391 E CB 1.243 30.993 29.700 0.084 0.000 0.947 391 E HN -0.109 nan 8.360 nan 0.000 0.440 392 T N 0.725 115.293 114.554 0.023 0.000 2.886 392 T HA 0.580 4.930 4.350 -0.000 0.000 0.292 392 T C -0.261 174.455 174.700 0.026 0.000 1.012 392 T CA 0.444 62.551 62.100 0.012 0.000 0.982 392 T CB 1.081 69.954 68.868 0.008 0.000 1.018 392 T HN 0.712 nan 8.240 nan 0.000 0.451 393 G N 3.445 112.254 108.800 0.014 0.000 2.829 393 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.628 393 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.628 393 G C -0.532 174.372 174.900 0.007 0.000 1.412 393 G CA -0.202 44.905 45.100 0.011 0.000 0.864 393 G HN 0.834 nan 8.290 nan 0.000 0.544 394 D N 1.459 121.854 120.400 -0.008 0.000 2.767 394 D HA 0.424 5.064 4.640 -0.000 0.000 0.241 394 D C 0.773 177.060 176.300 -0.022 0.000 1.187 394 D CA 0.356 54.340 54.000 -0.026 0.000 0.999 394 D CB -0.479 40.286 40.800 -0.058 0.000 1.042 394 D HN 0.702 nan 8.370 nan 0.000 0.510 395 N N -0.468 118.244 118.700 0.021 0.000 3.106 395 N HA 0.174 4.914 4.740 -0.000 0.000 0.253 395 N C -0.915 174.647 175.510 0.086 0.000 1.506 395 N CA -0.715 52.371 53.050 0.060 0.000 0.876 395 N CB 1.120 39.646 38.487 0.064 0.000 1.452 395 N HN -0.154 nan 8.380 nan 0.000 0.542 396 D N -0.349 120.116 120.400 0.108 0.000 2.501 396 D HA 0.125 4.765 4.640 -0.000 0.000 0.226 396 D C 0.282 176.639 176.300 0.096 0.000 1.198 396 D CA -0.228 53.837 54.000 0.109 0.000 0.830 396 D CB -0.003 40.862 40.800 0.108 0.000 1.014 396 D HN 0.354 nan 8.370 nan 0.000 0.496 397 N N 0.880 119.632 118.700 0.086 0.000 2.060 397 N HA -0.211 4.529 4.740 -0.000 0.000 0.195 397 N C 1.418 176.968 175.510 0.068 0.000 1.028 397 N CA 0.901 53.989 53.050 0.063 0.000 0.861 397 N CB -0.486 38.042 38.487 0.069 0.000 1.029 397 N HN 0.281 nan 8.380 nan 0.000 0.428 398 F N 1.484 121.441 119.950 0.012 0.000 2.134 398 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 398 F C 2.555 178.372 175.800 0.029 0.000 1.097 398 F CA 1.209 59.196 58.000 -0.022 0.000 1.264 398 F CB -0.072 38.911 39.000 -0.029 0.000 1.001 398 F HN -0.061 nan 8.300 nan 0.000 0.479 399 R N -0.052 120.466 120.500 0.031 0.000 2.120 399 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 399 R C 1.967 178.355 176.300 0.147 0.000 1.123 399 R CA 1.696 57.853 56.100 0.096 0.000 0.975 399 R CB -0.517 29.892 30.300 0.182 0.000 0.866 399 R HN 0.299 nan 8.270 nan 0.000 0.446 400 V N 1.231 121.218 119.914 0.121 0.000 2.358 400 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 400 V C 2.085 178.302 176.094 0.204 0.000 1.047 400 V CA 1.935 64.397 62.300 0.270 0.000 1.035 400 V CB -0.334 31.548 31.823 0.098 0.000 0.658 400 V HN 0.367 nan 8.190 nan 0.000 0.452 401 K N -0.086 120.280 120.400 -0.057 0.000 2.097 401 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 401 K C 2.344 178.877 176.600 -0.112 0.000 1.050 401 K CA 1.459 57.683 56.287 -0.104 0.000 0.938 401 K CB -0.243 32.094 32.500 -0.272 0.000 0.718 401 K HN 0.350 nan 8.250 nan 0.000 0.442 402 R N 0.104 120.381 120.500 -0.372 0.000 2.075 402 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 402 R C 1.659 177.878 176.300 -0.134 0.000 1.126 402 R CA 1.519 57.461 56.100 -0.265 0.000 0.963 402 R CB -0.208 29.851 30.300 -0.401 0.000 0.858 402 R HN 0.191 nan 8.270 nan 0.000 0.435 403 Y N 0.170 120.384 120.300 -0.143 0.000 2.337 403 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 403 Y C 2.098 177.791 175.900 -0.345 0.000 1.123 403 Y CA 1.007 58.955 58.100 -0.253 0.000 1.201 403 Y CB -0.020 38.187 38.460 -0.421 0.000 1.011 403 Y HN 0.081 nan 8.280 nan 0.000 0.545 404 I N -0.515 120.029 120.570 -0.043 0.000 2.493 404 I HA -0.249 3.921 4.170 -0.000 0.000 0.254 404 I C 2.289 178.193 176.117 -0.356 0.000 1.160 404 I CA 1.070 62.255 61.300 -0.191 0.000 1.445 404 I CB -0.105 38.006 38.000 0.186 0.000 1.086 404 I HN 0.192 nan 8.210 nan 0.000 0.433 405 A N 0.623 123.370 122.820 -0.121 0.000 2.019 405 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 405 A C 2.185 179.690 177.584 -0.131 0.000 1.164 405 A CA 1.462 53.445 52.037 -0.090 0.000 0.644 405 A CB -0.432 18.559 19.000 -0.016 0.000 0.805 405 A HN 0.415 nan 8.150 nan 0.000 0.449 406 K N -1.316 119.002 120.400 -0.136 0.000 2.147 406 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 406 K C 1.106 177.738 176.600 0.052 0.000 1.049 406 K CA 1.733 58.001 56.287 -0.032 0.000 0.936 406 K CB -0.262 32.235 32.500 -0.005 0.000 0.722 406 K HN 0.917 nan 8.250 nan 0.000 0.446 407 Y N -1.464 118.840 120.300 0.006 0.000 2.612 407 Y HA 0.290 4.840 4.550 -0.000 0.000 0.250 407 Y C 1.054 177.001 175.900 0.079 0.000 1.175 407 Y CA -0.236 57.885 58.100 0.035 0.000 1.205 407 Y CB -0.214 38.254 38.460 0.013 0.000 1.201 407 Y HN -0.059 nan 8.280 nan 0.000 0.532 408 T N -2.897 111.605 114.554 -0.086 0.000 3.364 408 T HA 0.127 4.477 4.350 -0.000 0.000 0.179 408 T C 1.260 175.982 174.700 0.035 0.000 0.939 408 T CA 0.594 62.696 62.100 0.003 0.000 1.094 408 T CB -0.752 68.092 68.868 -0.040 0.000 1.532 408 T HN 0.094 nan 8.240 nan 0.000 0.346 409 I N 3.000 123.579 120.570 0.015 0.000 2.315 409 I HA -0.003 4.167 4.170 -0.000 0.000 0.248 409 I C 1.883 177.972 176.117 -0.047 0.000 1.117 409 I CA 1.320 62.616 61.300 -0.007 0.000 1.404 409 I CB -0.741 37.206 38.000 -0.087 0.000 1.071 409 I HN 0.260 nan 8.210 nan 0.000 0.419 410 N N 0.767 119.428 118.700 -0.065 0.000 2.120 410 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 410 N C -0.776 174.710 175.510 -0.041 0.000 1.024 410 N CA 1.642 54.651 53.050 -0.069 0.000 0.852 410 N CB -1.843 36.601 38.487 -0.073 0.000 1.003 410 N HN 0.310 nan 8.380 nan 0.000 0.424 411 P HA 0.002 nan 4.420 nan 0.000 0.218 411 P C 1.027 178.369 177.300 0.071 0.000 1.149 411 P CA 1.283 64.420 63.100 0.062 0.000 0.817 411 P CB -0.001 31.760 31.700 0.103 0.000 0.785 412 A N -0.675 122.168 122.820 0.037 0.000 1.898 412 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 412 A C 2.176 179.764 177.584 0.007 0.000 1.181 412 A CA 1.366 53.415 52.037 0.020 0.000 0.620 412 A CB -1.603 17.413 19.000 0.028 0.000 0.819 412 A HN 0.105 nan 8.150 nan 0.000 0.442 413 L N -0.810 120.404 121.223 -0.014 0.000 2.056 413 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 413 L C 2.791 179.622 176.870 -0.066 0.000 1.078 413 L CA 1.731 56.551 54.840 -0.034 0.000 0.749 413 L CB -0.857 41.167 42.059 -0.060 0.000 0.901 413 L HN 0.339 nan 8.230 nan 0.000 0.433 414 T N -2.030 112.466 114.554 -0.097 0.000 2.759 414 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 414 T C 1.470 175.987 174.700 -0.306 0.000 1.042 414 T CA 1.212 63.186 62.100 -0.209 0.000 1.140 414 T CB -0.260 68.437 68.868 -0.286 0.000 0.864 414 T HN 0.364 nan 8.240 nan 0.000 0.455 415 H N -0.290 118.748 119.070 -0.052 0.000 2.520 415 H HA 0.346 4.902 4.556 -0.000 0.000 0.284 415 H C 1.659 176.949 175.328 -0.063 0.000 1.037 415 H CA 0.372 56.394 56.048 -0.043 0.000 1.168 415 H CB 0.142 29.883 29.762 -0.035 0.000 1.497 415 H HN 0.508 nan 8.280 nan 0.000 0.547 416 G N 2.291 111.092 108.800 0.001 0.000 2.198 416 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.257 416 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.257 416 G C 0.841 175.797 174.900 0.095 0.000 1.042 416 G CA 0.672 45.795 45.100 0.038 0.000 0.791 416 G HN 0.622 nan 8.290 nan 0.000 0.502 417 I N -4.036 116.532 120.570 -0.003 0.000 4.147 417 I HA 0.672 4.842 4.170 -0.000 0.000 0.329 417 I C 1.822 177.882 176.117 -0.094 0.000 1.424 417 I CA 0.380 61.589 61.300 -0.152 0.000 1.127 417 I CB 0.316 37.972 38.000 -0.574 0.000 1.128 417 I HN 0.120 nan 8.210 nan 0.000 0.417 418 A N 1.843 124.693 122.820 0.051 0.000 2.178 418 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 418 A C 2.004 179.648 177.584 0.100 0.000 1.157 418 A CA 1.838 53.913 52.037 0.064 0.000 0.689 418 A CB -1.288 17.750 19.000 0.064 0.000 0.787 418 A HN 0.854 nan 8.150 nan 0.000 0.465 419 H N -2.876 116.230 119.070 0.060 0.000 2.529 419 H HA 0.203 4.759 4.556 -0.000 0.000 0.277 419 H C 1.497 176.884 175.328 0.099 0.000 0.999 419 H CA 0.945 57.034 56.048 0.069 0.000 1.256 419 H CB 0.186 29.984 29.762 0.060 0.000 1.402 419 H HN 0.384 nan 8.280 nan 0.000 0.566 420 E N 1.019 121.048 120.200 -0.284 0.000 2.256 420 E HA 0.132 4.482 4.350 -0.000 0.000 0.198 420 E C 0.834 177.455 176.600 0.035 0.000 0.908 420 E CA 0.915 57.250 56.400 -0.110 0.000 0.915 420 E CB 1.076 30.727 29.700 -0.081 0.000 0.890 420 E HN 0.395 nan 8.360 nan 0.000 0.484 421 V N -4.826 115.121 119.914 0.056 0.000 3.105 421 V HA 0.853 4.973 4.120 -0.000 0.000 0.311 421 V C 0.786 176.943 176.094 0.106 0.000 1.287 421 V CA -0.183 62.183 62.300 0.110 0.000 1.066 421 V CB 1.266 33.187 31.823 0.163 0.000 1.105 421 V HN 0.290 nan 8.190 nan 0.000 0.462 422 G N -0.055 108.823 108.800 0.132 0.000 2.253 422 G HA2 0.103 4.063 3.960 -0.000 0.000 0.209 422 G HA3 0.103 4.063 3.960 -0.000 0.000 0.209 422 G C 0.258 175.266 174.900 0.181 0.000 0.997 422 G CA 0.606 45.786 45.100 0.134 0.000 0.640 422 G HN 2.464 nan 8.290 nan 0.000 0.496 423 S N -1.157 114.668 115.700 0.208 0.000 2.615 423 S HA 0.658 5.128 4.470 -0.000 0.000 0.268 423 S C -0.795 173.959 174.600 0.258 0.000 1.146 423 S CA -0.702 57.663 58.200 0.275 0.000 0.818 423 S CB 1.208 64.649 63.200 0.402 0.000 1.111 423 S HN 0.771 nan 8.310 nan 0.000 0.465 424 I N 1.564 122.329 120.570 0.325 0.000 2.241 424 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 424 I C -0.091 176.199 176.117 0.287 0.000 1.145 424 I CA 0.167 61.652 61.300 0.310 0.000 1.261 424 I CB -0.132 38.076 38.000 0.348 0.000 1.475 424 I HN 0.573 nan 8.210 nan 0.000 0.533 425 E N 3.888 124.176 120.200 0.146 0.000 2.367 425 E HA 0.353 4.703 4.350 -0.000 0.000 0.273 425 E C -0.737 175.869 176.600 0.011 0.000 0.903 425 E CA -1.043 55.364 56.400 0.012 0.000 0.764 425 E CB 3.187 32.887 29.700 0.000 0.000 1.252 425 E HN 0.289 nan 8.360 nan 0.000 0.446 426 V N -0.044 119.839 119.914 -0.050 0.000 2.694 426 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 426 V C 1.020 177.109 176.094 -0.008 0.000 1.054 426 V CA 1.054 63.328 62.300 -0.044 0.000 1.161 426 V CB 0.107 31.857 31.823 -0.122 0.000 0.916 426 V HN 1.025 nan 8.190 nan 0.000 0.490 427 G N 2.929 111.742 108.800 0.022 0.000 2.217 427 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 427 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 427 G C 0.304 175.242 174.900 0.063 0.000 0.990 427 G CA 0.375 45.501 45.100 0.043 0.000 0.627 427 G HN 0.886 nan 8.290 nan 0.000 0.522 428 K N 0.014 120.456 120.400 0.070 0.000 2.098 428 K HA 0.577 4.897 4.320 -0.000 0.000 0.257 428 K C 0.291 176.942 176.600 0.085 0.000 0.999 428 K CA -0.967 55.367 56.287 0.080 0.000 0.924 428 K CB 1.527 34.084 32.500 0.095 0.000 1.028 428 K HN 0.126 nan 8.250 nan 0.000 0.466 429 L N 1.859 123.130 121.223 0.079 0.000 2.525 429 L HA -0.045 4.295 4.340 -0.000 0.000 0.278 429 L C -0.017 176.908 176.870 0.093 0.000 1.218 429 L CA 0.774 55.660 54.840 0.077 0.000 0.878 429 L CB 0.370 42.470 42.059 0.068 0.000 1.127 429 L HN 0.752 nan 8.230 nan 0.000 0.492 430 A N 3.986 126.860 122.820 0.090 0.000 3.048 430 A HA 0.186 4.506 4.320 -0.000 0.000 0.264 430 A C -0.375 177.264 177.584 0.091 0.000 1.796 430 A CA -0.404 51.691 52.037 0.096 0.000 1.445 430 A CB -1.136 17.919 19.000 0.091 0.000 1.074 430 A HN 0.685 nan 8.150 nan 0.000 0.621 431 D N 1.506 121.968 120.400 0.102 0.000 2.443 431 D HA 0.535 5.175 4.640 -0.000 0.000 0.221 431 D C -0.307 176.060 176.300 0.111 0.000 1.097 431 D CA 0.437 54.497 54.000 0.100 0.000 0.865 431 D CB 0.918 41.787 40.800 0.115 0.000 1.034 431 D HN 0.403 nan 8.370 nan 0.000 0.511 432 L N 1.081 122.357 121.223 0.088 0.000 2.354 432 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 432 L C -0.541 176.348 176.870 0.032 0.000 1.008 432 L CA -1.210 53.685 54.840 0.092 0.000 0.819 432 L CB 2.401 44.515 42.059 0.092 0.000 1.339 432 L HN -0.095 nan 8.230 nan 0.000 0.420 433 V N 2.060 121.985 119.914 0.019 0.000 2.531 433 V HA 0.424 4.544 4.120 -0.000 0.000 0.301 433 V C -0.340 175.598 176.094 -0.259 0.000 1.034 433 V CA -0.670 61.507 62.300 -0.206 0.000 0.865 433 V CB 2.222 33.868 31.823 -0.295 0.000 0.995 433 V HN 0.411 nan 8.190 nan 0.000 0.424 434 V N 4.116 123.838 119.914 -0.320 0.000 2.427 434 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 434 V C -0.852 175.100 176.094 -0.237 0.000 1.034 434 V CA -0.451 61.767 62.300 -0.136 0.000 0.893 434 V CB 1.375 33.173 31.823 -0.041 0.000 0.982 434 V HN 0.913 nan 8.190 nan 0.000 0.452 435 W N 1.894 123.270 121.300 0.127 0.000 2.844 435 W HA 0.644 5.304 4.660 -0.000 0.000 0.340 435 W C 0.184 176.796 176.519 0.156 0.000 1.093 435 W CA -0.681 56.751 57.345 0.144 0.000 1.212 435 W CB 1.747 31.333 29.460 0.209 0.000 1.422 435 W HN 0.450 nan 8.180 nan 0.000 0.515 436 S N 2.035 117.993 115.700 0.430 0.000 2.525 436 S HA 0.330 4.800 4.470 -0.000 0.000 0.278 436 S C -1.565 173.240 174.600 0.343 0.000 1.234 436 S CA -1.330 57.067 58.200 0.328 0.000 1.058 436 S CB 1.139 64.542 63.200 0.338 0.000 0.983 436 S HN 0.214 nan 8.310 nan 0.000 0.495 437 P HA -0.097 nan 4.420 nan 0.000 0.216 437 P C 1.159 178.478 177.300 0.032 0.000 1.150 437 P CA 1.590 64.734 63.100 0.073 0.000 0.843 437 P CB 0.031 31.725 31.700 -0.010 0.000 0.787 438 A N -2.241 120.610 122.820 0.051 0.000 2.067 438 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 438 A C 1.296 178.702 177.584 -0.296 0.000 1.158 438 A CA 1.187 53.140 52.037 -0.139 0.000 0.661 438 A CB -1.292 17.590 19.000 -0.196 0.000 0.801 438 A HN 0.193 nan 8.150 nan 0.000 0.452 439 F N -2.430 117.599 119.950 0.131 0.000 2.683 439 F HA 0.323 4.850 4.527 -0.000 0.000 0.306 439 F C 0.276 176.070 175.800 -0.009 0.000 1.102 439 F CA -1.138 56.900 58.000 0.063 0.000 1.244 439 F CB 0.086 39.175 39.000 0.148 0.000 1.029 439 F HN 0.150 nan 8.300 nan 0.000 0.545 440 F N 1.620 121.519 119.950 -0.085 0.000 2.612 440 F HA 0.328 4.855 4.527 -0.000 0.000 0.389 440 F C 1.363 176.753 175.800 -0.683 0.000 1.055 440 F CA 1.084 58.814 58.000 -0.450 0.000 1.232 440 F CB 0.417 39.082 39.000 -0.559 0.000 1.044 440 F HN 0.330 nan 8.300 nan 0.000 0.560 441 G N 3.365 110.919 108.800 -2.077 0.000 2.212 441 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.266 441 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.266 441 G C 0.546 175.197 174.900 -0.415 0.000 0.978 441 G CA 0.495 44.798 45.100 -1.329 0.000 0.632 441 G HN 0.775 nan 8.290 nan 0.000 0.537 442 V N -0.798 118.995 119.914 -0.201 0.000 2.840 442 V HA 0.380 4.500 4.120 -0.000 0.000 0.234 442 V C 0.993 177.198 176.094 0.186 0.000 1.159 442 V CA 1.778 64.056 62.300 -0.036 0.000 1.194 442 V CB 0.352 31.921 31.823 -0.423 0.000 0.971 442 V HN 0.277 nan 8.190 nan 0.000 0.494 443 K N 1.101 121.685 120.400 0.306 0.000 2.668 443 K HA 0.438 4.757 4.320 -0.000 0.000 0.246 443 K C -2.929 173.861 176.600 0.317 0.000 0.976 443 K CA -1.605 54.853 56.287 0.285 0.000 0.902 443 K CB 2.554 35.183 32.500 0.214 0.000 1.172 443 K HN 0.145 nan 8.250 nan 0.000 0.452 444 P HA 0.024 nan 4.420 nan 0.000 0.272 444 P C -0.033 177.241 177.300 -0.043 0.000 1.223 444 P CA -0.057 62.874 63.100 -0.281 0.000 0.784 444 P CB 0.981 32.316 31.700 -0.609 0.000 0.923 445 A N 1.295 124.044 122.820 -0.117 0.000 1.997 445 A HA 0.180 4.500 4.320 -0.000 0.000 0.212 445 A C 0.435 177.962 177.584 -0.095 0.000 1.178 445 A CA 1.364 53.350 52.037 -0.085 0.000 0.698 445 A CB -0.302 18.676 19.000 -0.036 0.000 0.842 445 A HN 0.556 nan 8.150 nan 0.000 0.458 446 T N -0.691 113.785 114.554 -0.130 0.000 3.041 446 T HA 0.492 4.842 4.350 -0.000 0.000 0.321 446 T C -1.351 173.268 174.700 -0.135 0.000 1.184 446 T CA -0.403 61.641 62.100 -0.094 0.000 1.050 446 T CB 1.912 70.742 68.868 -0.064 0.000 1.159 446 T HN 0.018 nan 8.240 nan 0.000 0.469 447 V N 3.935 123.802 119.914 -0.078 0.000 2.378 447 V HA 0.517 4.637 4.120 -0.000 0.000 0.288 447 V C -0.322 175.757 176.094 -0.024 0.000 1.016 447 V CA -0.744 61.508 62.300 -0.080 0.000 0.840 447 V CB 1.181 32.964 31.823 -0.067 0.000 0.994 447 V HN 0.784 nan 8.190 nan 0.000 0.431 448 I N 5.003 125.567 120.570 -0.010 0.000 2.336 448 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 448 I C 0.175 176.316 176.117 0.039 0.000 0.991 448 I CA -0.435 60.877 61.300 0.020 0.000 1.227 448 I CB 1.263 39.279 38.000 0.027 0.000 1.366 448 I HN 0.394 nan 8.210 nan 0.000 0.466 449 K N 4.478 124.906 120.400 0.046 0.000 2.394 449 K HA 0.339 4.659 4.320 -0.000 0.000 0.260 449 K C 0.438 177.076 176.600 0.062 0.000 0.967 449 K CA -0.328 55.993 56.287 0.056 0.000 0.855 449 K CB 1.799 34.330 32.500 0.053 0.000 1.101 449 K HN 0.916 nan 8.250 nan 0.000 0.433 450 G N 2.079 110.919 108.800 0.066 0.000 2.321 450 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.287 450 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.287 450 G C 0.733 175.681 174.900 0.080 0.000 1.018 450 G CA 0.969 46.112 45.100 0.072 0.000 0.855 450 G HN 1.073 nan 8.290 nan 0.000 0.507 451 G N -2.096 106.744 108.800 0.068 0.000 2.175 451 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 451 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 451 G C 0.273 175.198 174.900 0.043 0.000 0.982 451 G CA 0.855 45.989 45.100 0.057 0.000 0.641 451 G HN 1.069 nan 8.290 nan 0.000 0.527 452 M N 0.390 120.020 119.600 0.049 0.000 2.465 452 M HA 0.542 5.022 4.480 -0.000 0.000 0.316 452 M C 0.220 176.549 176.300 0.048 0.000 1.121 452 M CA -0.871 54.457 55.300 0.046 0.000 0.934 452 M CB 2.169 34.803 32.600 0.057 0.000 1.692 452 M HN 0.056 nan 8.290 nan 0.000 0.444 453 I N 1.806 122.406 120.570 0.049 0.000 2.598 453 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 453 I C 0.923 177.067 176.117 0.045 0.000 1.140 453 I CA 0.207 61.531 61.300 0.039 0.000 1.420 453 I CB 1.115 39.138 38.000 0.037 0.000 1.387 453 I HN 0.893 nan 8.210 nan 0.000 0.553 454 A N 7.123 129.960 122.820 0.028 0.000 2.035 454 A HA 0.428 4.748 4.320 -0.000 0.000 0.208 454 A C 0.593 178.181 177.584 0.007 0.000 1.206 454 A CA 0.500 52.549 52.037 0.021 0.000 0.773 454 A CB 0.426 19.442 19.000 0.026 0.000 0.878 454 A HN 0.642 nan 8.150 nan 0.000 0.469 455 I N -2.107 118.472 120.570 0.016 0.000 2.842 455 I HA 0.605 4.775 4.170 -0.000 0.000 0.297 455 I C -1.421 174.735 176.117 0.064 0.000 1.380 455 I CA -0.409 60.915 61.300 0.041 0.000 1.018 455 I CB 2.180 40.220 38.000 0.068 0.000 1.311 455 I HN 0.281 nan 8.210 nan 0.000 0.439 456 A N 5.543 128.402 122.820 0.065 0.000 2.586 456 A HA 0.801 5.121 4.320 -0.000 0.000 0.291 456 A C -3.125 174.307 177.584 -0.253 0.000 1.062 456 A CA -1.113 50.910 52.037 -0.023 0.000 0.666 456 A CB 1.509 20.466 19.000 -0.070 0.000 1.281 456 A HN 0.305 nan 8.150 nan 0.000 0.421 457 P HA 0.531 nan 4.420 nan 0.000 0.276 457 P C -0.771 176.300 177.300 -0.381 0.000 1.230 457 P CA 0.060 62.733 63.100 -0.712 0.000 0.776 457 P CB 0.625 31.911 31.700 -0.690 0.000 0.888 458 M N 2.908 122.293 119.600 -0.360 0.000 2.324 458 M HA 0.598 5.078 4.480 -0.000 0.000 0.288 458 M C -0.226 175.913 176.300 -0.268 0.000 1.097 458 M CA -0.404 54.736 55.300 -0.267 0.000 0.928 458 M CB 1.518 33.975 32.600 -0.239 0.000 1.648 458 M HN 0.411 nan 8.290 nan 0.000 0.460 459 G N 1.308 110.002 108.800 -0.177 0.000 2.510 459 G HA2 0.250 4.210 3.960 -0.000 0.000 0.280 459 G HA3 0.250 4.210 3.960 -0.000 0.000 0.280 459 G C -0.856 173.981 174.900 -0.105 0.000 1.386 459 G CA -0.574 44.449 45.100 -0.128 0.000 1.047 459 G HN 0.751 nan 8.290 nan 0.000 0.527 460 D N -0.128 120.237 120.400 -0.058 0.000 2.793 460 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 460 D C 1.752 178.027 176.300 -0.042 0.000 1.139 460 D CA -0.226 53.753 54.000 -0.035 0.000 0.838 460 D CB 0.258 41.047 40.800 -0.018 0.000 1.149 460 D HN 0.047 nan 8.370 nan 0.000 0.526 461 I N 3.747 124.293 120.570 -0.041 0.000 2.361 461 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 461 I C 1.891 177.995 176.117 -0.021 0.000 1.133 461 I CA 1.027 62.304 61.300 -0.038 0.000 1.413 461 I CB -1.105 36.874 38.000 -0.036 0.000 1.073 461 I HN 0.456 nan 8.210 nan 0.000 0.424 462 N N 0.915 119.607 118.700 -0.014 0.000 2.412 462 N HA 0.110 4.850 4.740 -0.000 0.000 0.184 462 N C 0.735 176.240 175.510 -0.008 0.000 1.101 462 N CA 0.214 53.259 53.050 -0.008 0.000 0.881 462 N CB 0.230 38.715 38.487 -0.004 0.000 0.969 462 N HN 0.273 nan 8.380 nan 0.000 0.459 463 A N -0.394 122.419 122.820 -0.013 0.000 2.429 463 A HA 0.208 4.527 4.320 -0.000 0.000 0.242 463 A C 1.428 179.006 177.584 -0.011 0.000 1.088 463 A CA 0.322 52.352 52.037 -0.013 0.000 0.784 463 A CB -0.027 18.962 19.000 -0.018 0.000 1.038 463 A HN 0.476 nan 8.150 nan 0.000 0.501 464 S N -0.335 115.359 115.700 -0.009 0.000 2.489 464 S HA 0.158 4.628 4.470 -0.000 0.000 0.228 464 S C 0.556 175.151 174.600 -0.008 0.000 0.995 464 S CA 0.972 59.167 58.200 -0.007 0.000 0.934 464 S CB -0.935 62.261 63.200 -0.007 0.000 0.771 464 S HN 0.786 nan 8.310 nan 0.000 0.522 465 I N -2.955 117.608 120.570 -0.012 0.000 3.191 465 I HA 0.454 4.624 4.170 -0.000 0.000 0.313 465 I C -2.495 173.609 176.117 -0.023 0.000 1.193 465 I CA -2.749 58.543 61.300 -0.014 0.000 0.968 465 I CB 1.706 39.698 38.000 -0.014 0.000 1.262 465 I HN -0.358 nan 8.210 nan 0.000 0.456 466 P HA -0.021 nan 4.420 nan 0.000 0.245 466 P C 1.045 178.309 177.300 -0.061 0.000 1.206 466 P CA 0.923 63.996 63.100 -0.045 0.000 0.781 466 P CB 0.099 31.773 31.700 -0.043 0.000 0.994 467 T N -4.188 110.336 114.554 -0.050 0.000 3.054 467 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 467 T C -1.515 173.155 174.700 -0.049 0.000 1.092 467 T CA -0.354 61.713 62.100 -0.055 0.000 1.121 467 T CB -1.956 66.886 68.868 -0.043 0.000 0.912 467 T HN 0.130 nan 8.240 nan 0.000 0.489 468 P HA 0.191 nan 4.420 nan 0.000 0.269 468 P C 0.118 177.401 177.300 -0.029 0.000 1.209 468 P CA -0.201 62.882 63.100 -0.029 0.000 0.776 468 P CB 0.378 32.065 31.700 -0.021 0.000 0.876 469 Q N 2.816 122.606 119.800 -0.018 0.000 2.454 469 Q HA 0.178 4.518 4.340 -0.000 0.000 0.247 469 Q C -1.892 174.114 176.000 0.011 0.000 1.028 469 Q CA -1.127 54.673 55.803 -0.004 0.000 0.910 469 Q CB -0.602 28.136 28.738 0.000 0.000 1.276 469 Q HN 0.397 nan 8.270 nan 0.000 0.489 470 P HA 0.206 nan 4.420 nan 0.000 0.285 470 P C -0.842 176.505 177.300 0.079 0.000 1.259 470 P CA -0.334 62.814 63.100 0.079 0.000 0.794 470 P CB 0.900 32.677 31.700 0.129 0.000 0.940 471 V N 5.260 125.195 119.914 0.034 0.000 2.370 471 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 471 V C 0.163 176.255 176.094 -0.003 0.000 1.029 471 V CA -0.135 62.125 62.300 -0.066 0.000 0.870 471 V CB 0.231 31.980 31.823 -0.123 0.000 0.984 471 V HN 0.880 nan 8.190 nan 0.000 0.451 472 H N 2.028 121.015 119.070 -0.139 0.000 3.017 472 H HA 0.627 5.183 4.556 -0.000 0.000 0.346 472 H C -1.548 173.683 175.328 -0.161 0.000 1.286 472 H CA -1.127 54.858 56.048 -0.104 0.000 1.120 472 H CB 0.756 30.529 29.762 0.017 0.000 1.860 472 H HN 0.367 nan 8.280 nan 0.000 0.542 473 Y N 1.263 121.605 120.300 0.070 0.000 2.544 473 Y HA 0.254 4.804 4.550 -0.000 0.000 0.330 473 Y C 0.600 176.494 175.900 -0.011 0.000 1.136 473 Y CA 0.322 58.420 58.100 -0.003 0.000 1.417 473 Y CB 0.489 38.962 38.460 0.021 0.000 1.229 473 Y HN 0.367 nan 8.280 nan 0.000 0.532 474 R N 4.250 124.757 120.500 0.012 0.000 2.686 474 R HA 0.420 4.760 4.340 -0.000 0.000 0.283 474 R C -2.997 173.284 176.300 -0.032 0.000 0.978 474 R CA -2.367 53.715 56.100 -0.029 0.000 0.897 474 R CB 1.569 31.784 30.300 -0.143 0.000 1.192 474 R HN 0.317 nan 8.270 nan 0.000 0.457 475 P HA 0.048 nan 4.420 nan 0.000 0.268 475 P C -0.412 176.801 177.300 -0.145 0.000 1.204 475 P CA 0.204 63.267 63.100 -0.062 0.000 0.768 475 P CB 0.618 32.284 31.700 -0.057 0.000 0.842 476 M N 1.899 121.414 119.600 -0.140 0.000 2.799 476 M HA 0.337 4.817 4.480 -0.000 0.000 0.274 476 M C 1.403 177.551 176.300 -0.254 0.000 1.137 476 M CA -0.708 54.446 55.300 -0.243 0.000 0.897 476 M CB -0.481 32.062 32.600 -0.094 0.000 1.567 476 M HN 0.235 nan 8.290 nan 0.000 0.536 477 F N 0.657 120.591 119.950 -0.028 0.000 2.202 477 F HA -0.094 4.433 4.527 -0.000 0.000 0.301 477 F C 2.256 178.037 175.800 -0.032 0.000 1.082 477 F CA 1.523 59.503 58.000 -0.033 0.000 1.313 477 F CB -0.942 38.037 39.000 -0.036 0.000 1.024 477 F HN 0.753 nan 8.300 nan 0.000 0.495 478 G N -0.652 108.225 108.800 0.127 0.000 2.559 478 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 478 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 478 G C 1.504 176.423 174.900 0.032 0.000 1.126 478 G CA 0.615 45.760 45.100 0.074 0.000 0.778 478 G HN 0.435 nan 8.290 nan 0.000 0.543 479 A N -0.299 122.523 122.820 0.003 0.000 2.387 479 A HA 0.606 4.926 4.320 -0.000 0.000 0.234 479 A C 0.565 178.123 177.584 -0.044 0.000 1.253 479 A CA -0.324 51.702 52.037 -0.019 0.000 0.894 479 A CB 0.120 19.106 19.000 -0.023 0.000 0.963 479 A HN 0.247 nan 8.150 nan 0.000 0.508 480 L N -0.265 120.935 121.223 -0.038 0.000 2.295 480 L HA 0.495 4.835 4.340 -0.000 0.000 0.285 480 L C 1.609 178.418 176.870 -0.101 0.000 1.035 480 L CA -0.220 54.589 54.840 -0.053 0.000 0.806 480 L CB 1.170 43.225 42.059 -0.006 0.000 1.214 480 L HN 0.518 nan 8.230 nan 0.000 0.426 481 G N 2.310 111.023 108.800 -0.145 0.000 2.668 481 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.429 481 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.429 481 G C 1.106 175.732 174.900 -0.457 0.000 1.182 481 G CA 0.947 45.901 45.100 -0.244 0.000 0.911 481 G HN 0.636 nan 8.290 nan 0.000 0.631 482 S N 0.666 116.216 115.700 -0.249 0.000 2.419 482 S HA 0.076 4.546 4.470 -0.000 0.000 0.233 482 S C 2.703 177.273 174.600 -0.050 0.000 1.016 482 S CA 1.779 59.900 58.200 -0.131 0.000 0.974 482 S CB -0.467 62.747 63.200 0.022 0.000 0.786 482 S HN 1.177 nan 8.310 nan 0.000 0.492 483 A N 1.854 124.643 122.820 -0.052 0.000 1.930 483 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 483 A C 2.076 179.679 177.584 0.031 0.000 1.175 483 A CA 1.185 53.226 52.037 0.006 0.000 0.627 483 A CB -0.476 18.536 19.000 0.019 0.000 0.815 483 A HN 0.417 nan 8.150 nan 0.000 0.443 484 R N -0.620 119.848 120.500 -0.054 0.000 2.073 484 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 484 R C 1.940 178.272 176.300 0.053 0.000 1.134 484 R CA 2.025 58.105 56.100 -0.032 0.000 0.952 484 R CB -0.617 29.620 30.300 -0.105 0.000 0.850 484 R HN 0.782 nan 8.270 nan 0.000 0.433 485 H N -1.993 117.101 119.070 0.040 0.000 2.387 485 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 485 H C 2.017 177.358 175.328 0.022 0.000 1.099 485 H CA 1.659 57.718 56.048 0.018 0.000 1.315 485 H CB -0.140 29.633 29.762 0.018 0.000 1.380 485 H HN 0.461 nan 8.280 nan 0.000 0.513 486 H N -0.751 118.382 119.070 0.106 0.000 2.495 486 H HA 0.003 4.559 4.556 -0.000 0.000 0.287 486 H C 1.236 176.580 175.328 0.028 0.000 1.033 486 H CA 1.025 57.104 56.048 0.051 0.000 1.307 486 H CB 0.228 30.010 29.762 0.034 0.000 1.401 486 H HN 0.298 nan 8.280 nan 0.000 0.555 487 C N 1.440 120.824 119.300 0.140 0.000 2.974 487 C HA 0.278 4.738 4.460 -0.000 0.000 0.282 487 C C 0.622 175.634 174.990 0.036 0.000 1.292 487 C CA -0.360 58.713 59.018 0.092 0.000 1.710 487 C CB -1.211 26.591 27.740 0.104 0.000 2.036 487 C HN 0.518 nan 8.230 nan 0.000 0.629 488 R N 0.032 120.538 120.500 0.009 0.000 2.888 488 R HA 0.834 5.174 4.340 -0.000 0.000 0.266 488 R C -1.553 174.683 176.300 -0.107 0.000 1.020 488 R CA -0.680 55.406 56.100 -0.024 0.000 0.963 488 R CB 0.971 31.276 30.300 0.008 0.000 1.197 488 R HN 0.087 nan 8.270 nan 0.000 0.481 489 L N 0.741 121.847 121.223 -0.194 0.000 2.362 489 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 489 L C -0.618 175.982 176.870 -0.450 0.000 1.002 489 L CA -0.897 53.710 54.840 -0.389 0.000 0.818 489 L CB 2.687 44.345 42.059 -0.668 0.000 1.298 489 L HN 0.733 nan 8.230 nan 0.000 0.420 490 T N 2.449 116.777 114.554 -0.377 0.000 2.772 490 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 490 T C -0.478 174.061 174.700 -0.269 0.000 0.994 490 T CA -0.250 61.703 62.100 -0.245 0.000 0.951 490 T CB 0.263 69.052 68.868 -0.131 0.000 0.933 490 T HN 0.094 nan 8.240 nan 0.000 0.447 491 F N 3.432 123.399 119.950 0.028 0.000 2.396 491 F HA 0.547 5.074 4.527 -0.000 0.000 0.343 491 F C 0.456 176.281 175.800 0.041 0.000 1.104 491 F CA -0.764 57.262 58.000 0.043 0.000 1.161 491 F CB 0.665 39.703 39.000 0.063 0.000 1.146 491 F HN 0.186 nan 8.300 nan 0.000 0.522 492 L N 1.565 122.925 121.223 0.229 0.000 2.309 492 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 492 L C -0.202 176.748 176.870 0.134 0.000 1.021 492 L CA -1.106 53.816 54.840 0.137 0.000 0.823 492 L CB 2.387 44.491 42.059 0.075 0.000 1.366 492 L HN 0.638 nan 8.230 nan 0.000 0.423 493 S N -0.669 115.086 115.700 0.091 0.000 2.617 493 S HA 0.185 4.655 4.470 -0.000 0.000 0.269 493 S C 0.509 175.145 174.600 0.059 0.000 1.292 493 S CA -0.603 57.641 58.200 0.073 0.000 1.010 493 S CB 1.411 64.642 63.200 0.052 0.000 0.944 493 S HN 0.683 nan 8.310 nan 0.000 0.536 494 Q N 1.023 120.851 119.800 0.047 0.000 2.135 494 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 494 Q C 2.436 178.450 176.000 0.024 0.000 0.981 494 Q CA 1.651 57.475 55.803 0.034 0.000 0.856 494 Q CB -0.606 28.145 28.738 0.020 0.000 0.902 494 Q HN 0.931 nan 8.270 nan 0.000 0.425 495 A N 0.956 123.789 122.820 0.021 0.000 1.898 495 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 495 A C 2.284 179.876 177.584 0.014 0.000 1.181 495 A CA 1.490 53.536 52.037 0.014 0.000 0.620 495 A CB -0.735 18.272 19.000 0.012 0.000 0.819 495 A HN 0.397 nan 8.150 nan 0.000 0.442 496 A N -0.105 122.727 122.820 0.020 0.000 1.898 496 A HA 0.201 4.521 4.320 -0.000 0.000 0.216 496 A C 2.502 180.094 177.584 0.013 0.000 1.181 496 A CA 1.949 53.996 52.037 0.016 0.000 0.620 496 A CB -1.007 18.006 19.000 0.022 0.000 0.819 496 A HN 1.015 nan 8.150 nan 0.000 0.442 497 A N -0.010 122.822 122.820 0.020 0.000 1.883 497 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 497 A C 2.505 180.095 177.584 0.009 0.000 1.186 497 A CA 2.259 54.306 52.037 0.017 0.000 0.624 497 A CB -1.041 17.976 19.000 0.029 0.000 0.822 497 A HN 1.078 nan 8.150 nan 0.000 0.444 498 A N -0.077 122.749 122.820 0.010 0.000 1.930 498 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 498 A C 1.738 179.323 177.584 0.002 0.000 1.175 498 A CA 1.577 53.617 52.037 0.005 0.000 0.627 498 A CB -0.548 18.455 19.000 0.006 0.000 0.815 498 A HN 0.521 nan 8.150 nan 0.000 0.443 499 N N -0.372 118.329 118.700 0.002 0.000 2.550 499 N HA 0.050 4.790 4.740 -0.000 0.000 0.186 499 N C 1.120 176.627 175.510 -0.004 0.000 1.110 499 N CA 1.101 54.150 53.050 -0.001 0.000 0.912 499 N CB -0.124 38.363 38.487 0.000 0.000 0.968 499 N HN 0.679 nan 8.380 nan 0.000 0.448 500 G N -0.060 108.737 108.800 -0.005 0.000 2.182 500 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 500 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 500 G C 0.978 175.869 174.900 -0.016 0.000 1.042 500 G CA 0.378 45.471 45.100 -0.010 0.000 0.775 500 G HN 0.211 nan 8.290 nan 0.000 0.501 501 V N 0.093 119.997 119.914 -0.015 0.000 2.392 501 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 501 V C 3.208 179.281 176.094 -0.035 0.000 1.059 501 V CA 3.114 65.400 62.300 -0.023 0.000 1.051 501 V CB -0.875 30.937 31.823 -0.018 0.000 0.658 501 V HN 1.012 nan 8.190 nan 0.000 0.455 502 A N -0.206 122.594 122.820 -0.034 0.000 1.902 502 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 502 A C 2.108 179.662 177.584 -0.050 0.000 1.181 502 A CA 2.016 54.024 52.037 -0.048 0.000 0.623 502 A CB -0.427 18.546 19.000 -0.045 0.000 0.818 502 A HN 0.560 nan 8.150 nan 0.000 0.443 503 E N -0.636 119.541 120.200 -0.038 0.000 2.072 503 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 503 E C 2.149 178.727 176.600 -0.037 0.000 0.982 503 E CA 1.162 57.541 56.400 -0.035 0.000 0.803 503 E CB -0.280 29.405 29.700 -0.025 0.000 0.755 503 E HN 0.624 nan 8.360 nan 0.000 0.453 504 R N 0.340 120.819 120.500 -0.035 0.000 2.073 504 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 504 R C 1.847 178.119 176.300 -0.047 0.000 1.134 504 R CA 1.138 57.217 56.100 -0.035 0.000 0.952 504 R CB -0.193 30.089 30.300 -0.030 0.000 0.850 504 R HN 0.195 nan 8.270 nan 0.000 0.433 505 L N 0.501 121.688 121.223 -0.059 0.000 2.554 505 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 505 L C 0.586 177.408 176.870 -0.080 0.000 1.137 505 L CA 0.205 54.998 54.840 -0.078 0.000 0.863 505 L CB -0.342 41.661 42.059 -0.092 0.000 0.985 505 L HN 0.450 nan 8.230 nan 0.000 0.451 506 N N 1.212 119.870 118.700 -0.071 0.000 2.756 506 N HA -0.174 4.565 4.740 -0.000 0.000 0.248 506 N C -0.484 174.965 175.510 -0.101 0.000 1.062 506 N CA -0.137 52.869 53.050 -0.073 0.000 0.696 506 N CB -0.434 38.016 38.487 -0.062 0.000 0.946 506 N HN 0.037 nan 8.380 nan 0.000 0.548 507 L N 1.495 122.653 121.223 -0.109 0.000 2.455 507 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 507 L C 1.822 178.587 176.870 -0.176 0.000 1.174 507 L CA 0.722 55.475 54.840 -0.145 0.000 0.869 507 L CB 0.914 42.900 42.059 -0.122 0.000 1.130 507 L HN 0.174 nan 8.230 nan 0.000 0.474 508 R N 0.449 120.776 120.500 -0.288 0.000 2.189 508 R HA 0.159 4.499 4.340 -0.000 0.000 0.203 508 R C 0.649 176.776 176.300 -0.288 0.000 1.012 508 R CA 0.203 56.091 56.100 -0.354 0.000 1.015 508 R CB -0.014 29.875 30.300 -0.685 0.000 0.938 508 R HN 0.634 nan 8.270 nan 0.000 0.472 509 S N 0.334 115.870 115.700 -0.274 0.000 2.608 509 S HA 0.484 4.954 4.470 -0.000 0.000 0.261 509 S C 0.165 174.692 174.600 -0.122 0.000 1.314 509 S CA -0.455 57.668 58.200 -0.128 0.000 0.992 509 S CB 1.028 64.169 63.200 -0.098 0.000 0.935 509 S HN 0.387 nan 8.310 nan 0.000 0.564 510 A N 1.314 124.059 122.820 -0.126 0.000 2.407 510 A HA 0.473 4.793 4.320 -0.000 0.000 0.248 510 A C -0.159 177.329 177.584 -0.159 0.000 1.082 510 A CA -0.212 51.735 52.037 -0.149 0.000 0.785 510 A CB -0.168 18.723 19.000 -0.181 0.000 1.020 510 A HN 0.581 nan 8.150 nan 0.000 0.489 511 I N 0.848 121.342 120.570 -0.127 0.000 2.412 511 I HA 0.606 4.776 4.170 -0.000 0.000 0.296 511 I C 0.495 176.557 176.117 -0.092 0.000 0.987 511 I CA -0.163 61.068 61.300 -0.114 0.000 1.180 511 I CB 1.125 39.088 38.000 -0.061 0.000 1.340 511 I HN 0.739 nan 8.210 nan 0.000 0.455 512 A N 5.996 128.757 122.820 -0.098 0.000 2.435 512 A HA 0.824 5.144 4.320 -0.000 0.000 0.304 512 A C -1.032 176.691 177.584 0.231 0.000 1.064 512 A CA -0.518 51.550 52.037 0.051 0.000 0.727 512 A CB 1.768 20.740 19.000 -0.046 0.000 1.284 512 A HN 0.377 nan 8.150 nan 0.000 0.415 513 V N 1.829 121.925 119.914 0.303 0.000 2.581 513 V HA 0.562 4.682 4.120 -0.000 0.000 0.303 513 V C 0.348 176.647 176.094 0.342 0.000 1.041 513 V CA -0.577 61.882 62.300 0.265 0.000 0.907 513 V CB 1.544 33.455 31.823 0.147 0.000 0.994 513 V HN 1.043 nan 8.190 nan 0.000 0.442 514 V N 2.421 122.482 119.914 0.245 0.000 2.686 514 V HA 0.813 4.933 4.120 -0.000 0.000 0.295 514 V C -0.372 175.775 176.094 0.089 0.000 1.057 514 V CA -0.490 61.925 62.300 0.192 0.000 1.012 514 V CB 0.969 32.855 31.823 0.105 0.000 1.006 514 V HN 1.085 nan 8.190 nan 0.000 0.477 515 K N 1.873 122.298 120.400 0.041 0.000 2.587 515 K HA 0.691 5.011 4.320 -0.000 0.000 0.276 515 K C 0.103 176.681 176.600 -0.036 0.000 0.956 515 K CA -0.551 55.715 56.287 -0.036 0.000 0.857 515 K CB 1.411 33.839 32.500 -0.121 0.000 1.431 515 K HN 1.939 nan 8.250 nan 0.000 0.420 516 G N 0.677 109.453 108.800 -0.039 0.000 2.149 516 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 516 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 516 G C 0.553 175.429 174.900 -0.040 0.000 1.018 516 G CA 0.131 45.208 45.100 -0.037 0.000 0.728 516 G HN 0.667 nan 8.290 nan 0.000 0.508 517 C N -0.245 119.029 119.300 -0.043 0.000 2.495 517 C HA 0.153 4.613 4.460 -0.000 0.000 0.275 517 C C 2.564 177.511 174.990 -0.072 0.000 1.392 517 C CA 1.005 59.982 59.018 -0.068 0.000 1.766 517 C CB -0.468 27.233 27.740 -0.064 0.000 1.933 517 C HN 0.578 nan 8.230 nan 0.000 0.519 518 R N 1.173 121.642 120.500 -0.053 0.000 2.210 518 R HA -0.002 4.338 4.340 -0.000 0.000 0.203 518 R C 1.969 178.242 176.300 -0.045 0.000 1.010 518 R CA 1.553 57.624 56.100 -0.048 0.000 1.008 518 R CB -1.291 28.987 30.300 -0.037 0.000 0.923 518 R HN 0.692 nan 8.270 nan 0.000 0.469 519 T N -1.018 113.510 114.554 -0.043 0.000 3.081 519 T HA 0.103 4.453 4.350 -0.000 0.000 0.250 519 T C 1.121 175.796 174.700 -0.042 0.000 1.100 519 T CA -0.191 61.886 62.100 -0.038 0.000 1.038 519 T CB -0.349 68.500 68.868 -0.032 0.000 0.962 519 T HN -0.030 nan 8.240 nan 0.000 0.516 520 V N 1.529 121.411 119.914 -0.054 0.000 2.686 520 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 520 V C -0.303 175.755 176.094 -0.060 0.000 1.055 520 V CA -1.045 61.218 62.300 -0.061 0.000 1.050 520 V CB 0.601 32.377 31.823 -0.080 0.000 0.984 520 V HN 0.681 nan 8.190 nan 0.000 0.482 521 Q N 1.876 121.643 119.800 -0.054 0.000 2.615 521 Q HA 0.533 4.873 4.340 -0.000 0.000 0.298 521 Q C 0.371 176.341 176.000 -0.049 0.000 1.023 521 Q CA -1.108 54.668 55.803 -0.046 0.000 0.768 521 Q CB 1.670 30.390 28.738 -0.031 0.000 1.500 521 Q HN 0.372 nan 8.270 nan 0.000 0.441 522 K N 0.840 121.216 120.400 -0.040 0.000 2.113 522 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 522 K C 1.750 178.330 176.600 -0.032 0.000 1.047 522 K CA 2.386 58.650 56.287 -0.039 0.000 0.928 522 K CB -0.831 31.655 32.500 -0.024 0.000 0.716 522 K HN 0.675 nan 8.250 nan 0.000 0.446 523 A N 0.498 123.303 122.820 -0.025 0.000 2.070 523 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 523 A C 1.350 178.917 177.584 -0.028 0.000 1.159 523 A CA 1.817 53.842 52.037 -0.019 0.000 0.656 523 A CB -0.370 18.622 19.000 -0.014 0.000 0.800 523 A HN 0.392 nan 8.150 nan 0.000 0.453 524 D N -0.531 119.844 120.400 -0.041 0.000 2.348 524 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 524 D C 0.361 176.615 176.300 -0.077 0.000 0.998 524 D CA 0.275 54.242 54.000 -0.054 0.000 0.873 524 D CB -0.108 40.659 40.800 -0.054 0.000 0.925 524 D HN 0.287 nan 8.370 nan 0.000 0.524 525 M N 1.763 121.318 119.600 -0.073 0.000 2.251 525 M HA 0.057 4.537 4.480 -0.000 0.000 0.346 525 M C 0.023 176.260 176.300 -0.105 0.000 1.499 525 M CA -0.186 55.060 55.300 -0.089 0.000 1.128 525 M CB 0.701 33.259 32.600 -0.071 0.000 1.809 525 M HN -0.322 nan 8.290 nan 0.000 0.464 526 V N 6.375 126.181 119.914 -0.180 0.000 2.509 526 V HA -0.089 4.031 4.120 -0.000 0.000 0.297 526 V C 1.155 177.133 176.094 -0.194 0.000 1.014 526 V CA 0.363 62.478 62.300 -0.309 0.000 1.127 526 V CB -0.861 30.655 31.823 -0.511 0.000 0.925 526 V HN 0.902 nan 8.190 nan 0.000 0.480 527 H N 2.669 121.756 119.070 0.030 0.000 3.366 527 H HA -0.161 4.394 4.556 -0.000 0.000 0.233 527 H C 0.588 175.940 175.328 0.040 0.000 1.102 527 H CA 1.369 57.464 56.048 0.077 0.000 1.184 527 H CB -1.277 28.470 29.762 -0.026 0.000 1.216 527 H HN 0.852 nan 8.280 nan 0.000 0.317 528 N N 0.048 118.801 118.700 0.087 0.000 2.687 528 N HA 0.126 4.866 4.740 -0.000 0.000 0.275 528 N C 0.187 175.709 175.510 0.020 0.000 1.789 528 N CA 0.655 53.730 53.050 0.042 0.000 0.806 528 N CB 1.005 39.491 38.487 -0.002 0.000 1.256 528 N HN 0.293 nan 8.380 nan 0.000 0.500 529 S N -0.748 114.975 115.700 0.038 0.000 2.593 529 S HA 0.154 4.624 4.470 -0.000 0.000 0.236 529 S C 0.420 175.033 174.600 0.022 0.000 0.991 529 S CA -0.412 57.799 58.200 0.018 0.000 0.963 529 S CB 0.277 63.487 63.200 0.017 0.000 0.865 529 S HN 0.253 nan 8.310 nan 0.000 0.488 530 L N 2.631 123.874 121.223 0.033 0.000 2.455 530 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 530 L C -0.123 176.758 176.870 0.019 0.000 1.174 530 L CA 0.918 55.776 54.840 0.030 0.000 0.869 530 L CB 0.470 42.553 42.059 0.040 0.000 1.130 530 L HN 0.294 nan 8.230 nan 0.000 0.474 531 Q N 6.959 126.762 119.800 0.006 0.000 2.607 531 Q HA 0.387 4.726 4.340 -0.000 0.000 0.247 531 Q C -2.249 173.742 176.000 -0.015 0.000 1.033 531 Q CA -1.724 54.072 55.803 -0.010 0.000 0.769 531 Q CB 1.045 29.765 28.738 -0.029 0.000 1.169 531 Q HN 0.549 nan 8.270 nan 0.000 0.508 532 P HA 0.068 nan 4.420 nan 0.000 0.277 532 P C -0.598 176.692 177.300 -0.018 0.000 1.240 532 P CA -0.492 62.607 63.100 -0.001 0.000 0.798 532 P CB 0.894 32.603 31.700 0.016 0.000 0.979 533 N N 2.255 120.943 118.700 -0.019 0.000 2.739 533 N HA 0.143 4.883 4.740 -0.000 0.000 0.266 533 N C -0.564 174.940 175.510 -0.009 0.000 1.168 533 N CA -0.214 52.821 53.050 -0.026 0.000 1.055 533 N CB -1.019 37.455 38.487 -0.023 0.000 1.393 533 N HN 0.416 nan 8.380 nan 0.000 0.514 534 I N 2.154 122.723 120.570 -0.002 0.000 2.437 534 I HA 0.467 4.637 4.170 -0.000 0.000 0.298 534 I C -0.354 175.775 176.117 0.019 0.000 0.984 534 I CA -0.338 60.971 61.300 0.016 0.000 1.214 534 I CB 1.157 39.179 38.000 0.037 0.000 1.365 534 I HN 0.477 nan 8.210 nan 0.000 0.469 535 T N 3.885 118.451 114.554 0.019 0.000 2.906 535 T HA 0.673 5.023 4.350 -0.000 0.000 0.295 535 T C -0.943 173.772 174.700 0.026 0.000 1.061 535 T CA -0.720 61.391 62.100 0.019 0.000 1.000 535 T CB 1.811 70.684 68.868 0.009 0.000 1.103 535 T HN 0.283 nan 8.240 nan 0.000 0.486 536 V N 2.061 121.993 119.914 0.030 0.000 2.531 536 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 536 V C -0.316 175.805 176.094 0.045 0.000 1.034 536 V CA -0.887 61.440 62.300 0.045 0.000 0.865 536 V CB 1.680 33.537 31.823 0.055 0.000 0.995 536 V HN 1.061 nan 8.190 nan 0.000 0.424 537 D N 3.689 124.120 120.400 0.052 0.000 2.358 537 D HA 0.203 4.843 4.640 -0.000 0.000 0.258 537 D C 1.139 177.478 176.300 0.064 0.000 1.223 537 D CA 0.440 54.458 54.000 0.030 0.000 0.886 537 D CB 2.036 42.838 40.800 0.003 0.000 1.120 537 D HN 0.676 nan 8.370 nan 0.000 0.482 538 A N 4.287 127.126 122.820 0.032 0.000 1.986 538 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 538 A C 1.905 179.510 177.584 0.035 0.000 1.171 538 A CA 1.652 53.720 52.037 0.052 0.000 0.640 538 A CB -0.093 18.892 19.000 -0.026 0.000 0.811 538 A HN 0.672 nan 8.150 nan 0.000 0.451 539 Q N -1.392 118.360 119.800 -0.079 0.000 2.200 539 Q HA -0.004 4.336 4.340 -0.000 0.000 0.197 539 Q C 2.186 177.905 176.000 -0.470 0.000 0.953 539 Q CA 1.607 57.286 55.803 -0.206 0.000 0.851 539 Q CB -0.213 28.445 28.738 -0.133 0.000 0.938 539 Q HN 0.762 nan 8.270 nan 0.000 0.488 540 T N -3.233 111.126 114.554 -0.324 0.000 3.067 540 T HA -0.010 4.340 4.350 -0.000 0.000 0.257 540 T C -0.126 174.410 174.700 -0.273 0.000 1.105 540 T CA 0.185 62.082 62.100 -0.337 0.000 1.104 540 T CB 0.006 68.790 68.868 -0.141 0.000 0.925 540 T HN 0.269 nan 8.240 nan 0.000 0.498 541 Y N 0.440 120.729 120.300 -0.018 0.000 4.907 541 Y HA -0.181 4.369 4.550 -0.000 0.000 0.246 541 Y C 0.234 176.119 175.900 -0.024 0.000 0.968 541 Y CA -0.368 57.720 58.100 -0.020 0.000 1.961 541 Y CB -2.909 35.538 38.460 -0.022 0.000 1.487 541 Y HN 0.496 nan 8.280 nan 0.000 0.575 542 E N 0.554 120.810 120.200 0.092 0.000 2.384 542 E HA 0.346 4.696 4.350 -0.000 0.000 0.266 542 E C 0.012 176.636 176.600 0.040 0.000 1.012 542 E CA -0.096 56.332 56.400 0.046 0.000 0.901 542 E CB 1.103 30.811 29.700 0.014 0.000 0.967 542 E HN 0.035 nan 8.360 nan 0.000 0.435 543 V N 4.667 124.594 119.914 0.023 0.000 2.439 543 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 543 V C 0.163 176.262 176.094 0.008 0.000 1.039 543 V CA -0.369 61.940 62.300 0.015 0.000 0.913 543 V CB 1.088 32.910 31.823 -0.001 0.000 0.983 543 V HN 0.613 nan 8.190 nan 0.000 0.460 544 R N 2.946 123.452 120.500 0.010 0.000 2.686 544 R HA 0.774 5.114 4.340 -0.000 0.000 0.283 544 R C -1.722 174.582 176.300 0.006 0.000 0.978 544 R CA -0.744 55.359 56.100 0.006 0.000 0.897 544 R CB 2.659 32.962 30.300 0.005 0.000 1.192 544 R HN 0.482 nan 8.270 nan 0.000 0.457 545 V N 3.005 122.922 119.914 0.004 0.000 2.407 545 V HA 0.167 4.287 4.120 -0.000 0.000 0.291 545 V C -0.342 175.753 176.094 0.002 0.000 1.018 545 V CA -0.535 61.767 62.300 0.004 0.000 0.842 545 V CB 1.542 33.368 31.823 0.005 0.000 0.996 545 V HN 0.873 nan 8.190 nan 0.000 0.426 546 D N 4.390 124.789 120.400 -0.001 0.000 2.837 546 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 546 D C 1.357 177.657 176.300 -0.001 0.000 1.152 546 D CA 1.686 55.684 54.000 -0.002 0.000 0.736 546 D CB -1.019 39.780 40.800 -0.002 0.000 1.084 546 D HN 1.369 nan 8.370 nan 0.000 0.429 547 G N -0.000 108.799 108.800 -0.001 0.000 2.304 547 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.252 547 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.252 547 G C 0.168 175.068 174.900 0.001 0.000 1.014 547 G CA 0.797 45.897 45.100 -0.001 0.000 0.619 547 G HN 0.712 nan 8.290 nan 0.000 0.525 548 E N 1.040 121.241 120.200 0.002 0.000 2.331 548 E HA 0.560 4.910 4.350 -0.000 0.000 0.272 548 E C 0.097 176.699 176.600 0.003 0.000 1.036 548 E CA -0.989 55.413 56.400 0.003 0.000 0.864 548 E CB 1.615 31.318 29.700 0.004 0.000 1.035 548 E HN 0.411 nan 8.360 nan 0.000 0.408 549 L N 4.230 125.456 121.223 0.004 0.000 2.367 549 L HA 0.193 4.533 4.340 -0.000 0.000 0.275 549 L C -0.813 176.060 176.870 0.004 0.000 1.129 549 L CA -0.135 54.707 54.840 0.004 0.000 0.839 549 L CB 0.519 42.581 42.059 0.005 0.000 1.133 549 L HN 0.569 nan 8.230 nan 0.000 0.453 550 I N 5.098 125.668 120.570 -0.000 0.000 2.354 550 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 550 I C 0.304 176.416 176.117 -0.008 0.000 0.989 550 I CA -0.096 61.202 61.300 -0.004 0.000 1.188 550 I CB 0.888 38.879 38.000 -0.015 0.000 1.342 550 I HN 0.706 nan 8.210 nan 0.000 0.457 551 T N 3.944 118.500 114.554 0.003 0.000 2.700 551 T HA 0.657 5.007 4.350 -0.000 0.000 0.307 551 T C -1.189 173.535 174.700 0.042 0.000 1.580 551 T CA -0.301 61.806 62.100 0.011 0.000 0.992 551 T CB 1.467 70.347 68.868 0.020 0.000 1.577 551 T HN 0.830 nan 8.240 nan 0.000 0.496 552 S N 0.845 116.597 115.700 0.086 0.000 2.643 552 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 552 S C -1.857 172.873 174.600 0.216 0.000 1.166 552 S CA -0.958 57.320 58.200 0.130 0.000 0.815 552 S CB 1.905 65.185 63.200 0.135 0.000 1.139 552 S HN 0.633 nan 8.310 nan 0.000 0.472 553 E N 1.827 122.113 120.200 0.143 0.000 2.204 553 E HA 0.521 4.871 4.350 -0.000 0.000 0.276 553 E C -2.609 173.935 176.600 -0.092 0.000 0.974 553 E CA -2.247 54.191 56.400 0.064 0.000 0.815 553 E CB 1.523 31.232 29.700 0.014 0.000 1.119 553 E HN 0.504 nan 8.360 nan 0.000 0.393 554 P HA 0.140 nan 4.420 nan 0.000 0.276 554 P C -0.817 176.304 177.300 -0.299 0.000 1.230 554 P CA -0.261 62.396 63.100 -0.739 0.000 0.776 554 P CB 0.851 31.920 31.700 -1.052 0.000 0.888 555 A N 3.347 126.049 122.820 -0.196 0.000 2.388 555 A HA 0.209 4.529 4.320 -0.000 0.000 0.257 555 A C 1.232 178.769 177.584 -0.078 0.000 1.095 555 A CA -0.335 51.654 52.037 -0.080 0.000 0.791 555 A CB 0.067 19.058 19.000 -0.015 0.000 1.029 555 A HN 0.663 nan 8.150 nan 0.000 0.489 556 D N 0.631 121.005 120.400 -0.043 0.000 2.338 556 D HA 0.095 4.735 4.640 -0.000 0.000 0.208 556 D C 0.089 176.381 176.300 -0.013 0.000 0.997 556 D CA 0.557 54.537 54.000 -0.033 0.000 0.880 556 D CB 0.042 40.826 40.800 -0.026 0.000 0.980 556 D HN 0.205 nan 8.370 nan 0.000 0.509 557 V N 0.870 120.785 119.914 0.001 0.000 2.888 557 V HA 0.426 4.546 4.120 -0.000 0.000 0.309 557 V C -0.646 175.458 176.094 0.018 0.000 1.114 557 V CA -0.870 61.435 62.300 0.010 0.000 0.940 557 V CB 2.738 34.569 31.823 0.012 0.000 1.021 557 V HN 0.061 nan 8.190 nan 0.000 0.426 558 L N 4.162 125.389 121.223 0.007 0.000 2.354 558 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 558 L C -2.464 174.373 176.870 -0.054 0.000 1.008 558 L CA -1.745 53.084 54.840 -0.018 0.000 0.819 558 L CB 2.869 44.929 42.059 0.002 0.000 1.339 558 L HN 0.462 nan 8.230 nan 0.000 0.420 559 P HA 0.351 nan 4.420 nan 0.000 0.279 559 P C -0.305 176.991 177.300 -0.007 0.000 1.282 559 P CA -0.563 62.456 63.100 -0.135 0.000 0.788 559 P CB 0.383 31.869 31.700 -0.356 0.000 1.139 560 M N -2.676 116.979 119.600 0.092 0.000 2.393 560 M HA -0.282 4.198 4.480 -0.000 0.000 0.201 560 M C 0.251 176.704 176.300 0.255 0.000 0.403 560 M CA 0.795 56.136 55.300 0.069 0.000 0.471 560 M CB -2.203 30.358 32.600 -0.064 0.000 1.669 560 M HN 0.489 nan 8.290 nan 0.000 0.864 561 A N -0.257 122.759 122.820 0.326 0.000 2.751 561 A HA 0.303 4.623 4.320 -0.000 0.000 0.201 561 A C 1.062 178.868 177.584 0.371 0.000 1.619 561 A CA 0.216 52.444 52.037 0.318 0.000 1.607 561 A CB 0.031 19.116 19.000 0.142 0.000 1.580 561 A HN 0.447 nan 8.150 nan 0.000 0.499 562 Q N -0.211 119.706 119.800 0.195 0.000 2.443 562 Q HA -0.134 4.206 4.340 -0.000 0.000 0.213 562 Q C 1.899 177.930 176.000 0.050 0.000 0.982 562 Q CA 1.370 57.253 55.803 0.132 0.000 0.894 562 Q CB -0.121 28.654 28.738 0.061 0.000 0.947 562 Q HN 0.540 nan 8.270 nan 0.000 0.480 563 R N -0.586 119.902 120.500 -0.020 0.000 2.240 563 R HA -0.091 4.249 4.340 -0.000 0.000 0.203 563 R C 0.706 176.737 176.300 -0.448 0.000 1.011 563 R CA 0.883 56.812 56.100 -0.286 0.000 1.007 563 R CB 0.309 30.327 30.300 -0.471 0.000 0.911 563 R HN 0.271 nan 8.270 nan 0.000 0.468 564 Y N -1.826 118.417 120.300 -0.095 0.000 2.535 564 Y HA 0.263 4.813 4.550 -0.000 0.000 0.264 564 Y C -0.050 175.588 175.900 -0.436 0.000 1.087 564 Y CA -0.451 57.483 58.100 -0.277 0.000 1.285 564 Y CB 0.497 38.675 38.460 -0.471 0.000 1.200 564 Y HN -0.168 nan 8.280 nan 0.000 0.514 565 F N 0.057 120.122 119.950 0.192 0.000 2.421 565 F HA 0.269 4.796 4.527 -0.000 0.000 0.337 565 F C 0.841 176.662 175.800 0.034 0.000 1.105 565 F CA -0.814 57.264 58.000 0.130 0.000 1.049 565 F CB 1.389 40.468 39.000 0.132 0.000 1.139 565 F HN -0.196 nan 8.300 nan 0.000 0.479 566 L N 2.219 123.547 121.223 0.176 0.000 2.217 566 L HA 0.171 4.511 4.340 -0.000 0.000 0.211 566 L C -0.504 176.149 176.870 -0.362 0.000 1.107 566 L CA 1.723 56.497 54.840 -0.110 0.000 0.783 566 L CB -0.379 41.613 42.059 -0.112 0.000 0.919 566 L HN 0.455 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.042 119.950 0.153 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.052 58.000 0.087 0.000 1.383 567 F CB 0.000 39.032 39.000 0.053 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574