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 2z5k_1_A DATA FIRST_RESID 5 DATA SEQUENCE WKPDEQGLQQ ILQLLKESQS PDTTIQRTVQ QKLEQLNQYP DFNNYLIFVL DATA SEQUENCE TKLKSEDEPT RSLSGLILKN NVKAHFQNFP NGVTDFIKSE CLNNIGDSSP DATA SEQUENCE LIRATVGILI TTIASKGELQ NWPDLLPKLC SLLDSEDYNT CEGAFGALQK DATA SEQUENCE ICEDSAEILD SDVLDRPLNI MIPKFLQFFK HSSPKIRSHA VACVNQFIIS DATA SEQUENCE RTQALMLHID SFIENLFALA GDEEPEVRKN VCRALVMLLE VRMDRLLPHM DATA SEQUENCE HNIVEYMLQR TQDQDENVAL EACEFWLTLA EQPICKDVLV RHLPKLIPVL DATA SEQUENCE VNGMKYSDID IILLKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XDDDTISDWN LRKCSAAALD VLANVYRDEL LPHILPLLKE DATA SEQUENCE LLFHHEWVVK ESGILVLGAI AEGCMQGMIP YLPELIPHLI QCLSDKKALV DATA SEQUENCE RSITCWTLSR YAHWVVSQPP DTYLKPLMTE LLKRILDSNK RVQEAACSAF DATA SEQUENCE ATLEEEACTE LVPYLAYILD TLVFAFSKYQ HKNLLILYDA IGTLADSVGH DATA SEQUENCE HLNKPEYIQM LMPPLIQKWN MLKDEDKDLF PLLECLSSVA TALQSGFLPY DATA SEQUENCE CEPVYQRCVN LVQKTLAQAM LNNAQPDQYE APDKDFMIVA LDLLSGLAEG DATA SEQUENCE LGGNIEQLVA RSNILTLMYQ CMQDKMPEVR QSSFALLGDL TKACFQHVKP DATA SEQUENCE CIADFMPILG TNLNPEFISV CNNATWAIGE ISIQMGIEMQ PYIPMVLHQL DATA SEQUENCE VEIINRPNTP KTLLENTAIT IGRLGYVCPQ EVAPMLQQFI RPWCTSLRNI DATA SEQUENCE RDNEEKDSAF RGICTMISVN PSGVIQDFIF FCDAVASWIN PKDDLRDMFC DATA SEQUENCE KILHGFKNQV GDENWRRFSD QFPLPLKERL AAFYGV 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 5 W HA 0.000 nan 4.660 nan 0.000 0.303 5 W C 0.000 176.305 176.519 -0.357 0.000 1.175 5 W CA 0.000 57.117 57.345 -0.379 0.000 1.226 5 W CB 0.000 29.312 29.460 -0.247 0.000 1.126 6 K N 2.111 122.243 120.400 -0.446 0.000 2.234 6 K HA 0.567 4.890 4.320 0.005 0.000 0.277 6 K C -2.134 174.080 176.600 -0.642 0.000 1.038 6 K CA -1.068 54.977 56.287 -0.403 0.000 0.888 6 K CB 2.161 34.451 32.500 -0.351 0.000 1.091 6 K HN 0.099 nan 8.250 nan 0.000 0.467 7 P HA 0.035 nan 4.420 nan 0.000 0.214 7 P C -0.940 176.102 177.300 -0.431 0.000 1.144 7 P CA 0.250 62.897 63.100 -0.755 0.000 0.884 7 P CB 0.092 31.448 31.700 -0.572 0.000 0.784 8 D N -0.354 119.927 120.400 -0.198 0.000 5.167 8 D HA -0.161 4.482 4.640 0.005 0.000 0.237 8 D C 0.691 177.020 176.300 0.049 0.000 1.278 8 D CA 0.491 54.469 54.000 -0.036 0.000 1.266 8 D CB -0.890 39.928 40.800 0.030 0.000 0.704 8 D HN 0.259 nan 8.370 nan 0.000 0.350 9 E N 1.857 122.075 120.200 0.030 0.000 2.152 9 E HA -0.235 4.118 4.350 0.005 0.000 0.192 9 E C 1.514 178.140 176.600 0.043 0.000 0.983 9 E CA 1.086 57.514 56.400 0.046 0.000 0.818 9 E CB 0.141 29.862 29.700 0.036 0.000 0.758 9 E HN 0.555 nan 8.360 nan 0.000 0.467 10 Q N -0.051 119.766 119.800 0.027 0.000 2.020 10 Q HA -0.093 4.250 4.340 0.005 0.000 0.202 10 Q C 1.974 177.964 176.000 -0.015 0.000 0.982 10 Q CA 2.170 57.975 55.803 0.004 0.000 0.838 10 Q CB -0.756 27.977 28.738 -0.008 0.000 0.899 10 Q HN 0.292 nan 8.270 nan 0.000 0.423 11 G N 0.154 108.951 108.800 -0.006 0.000 2.448 11 G HA2 -0.183 3.780 3.960 0.005 0.000 0.218 11 G HA3 -0.183 3.780 3.960 0.005 0.000 0.218 11 G C 1.329 176.133 174.900 -0.160 0.000 1.135 11 G CA 0.718 45.734 45.100 -0.140 0.000 0.784 11 G HN 0.368 nan 8.290 nan 0.000 0.543 12 L N 0.455 121.725 121.223 0.078 0.000 1.994 12 L HA -0.079 4.264 4.340 0.005 0.000 0.208 12 L C 2.819 179.722 176.870 0.054 0.000 1.071 12 L CA 1.830 56.750 54.840 0.134 0.000 0.745 12 L CB -0.398 41.768 42.059 0.179 0.000 0.892 12 L HN 0.137 nan 8.230 nan 0.000 0.431 13 Q N -0.650 119.172 119.800 0.037 0.000 2.224 13 Q HA -0.249 4.095 4.340 0.005 0.000 0.203 13 Q C 2.114 178.113 176.000 -0.002 0.000 0.970 13 Q CA 1.486 57.304 55.803 0.024 0.000 0.865 13 Q CB -0.523 28.228 28.738 0.022 0.000 0.922 13 Q HN 0.702 nan 8.270 nan 0.000 0.445 14 Q N 0.227 120.006 119.800 -0.036 0.000 2.119 14 Q HA -0.085 4.259 4.340 0.005 0.000 0.201 14 Q C 1.894 177.867 176.000 -0.044 0.000 0.972 14 Q CA 0.858 56.629 55.803 -0.054 0.000 0.847 14 Q CB 0.125 28.804 28.738 -0.098 0.000 0.903 14 Q HN 0.394 nan 8.270 nan 0.000 0.433 15 I N 0.032 120.569 120.570 -0.056 0.000 2.494 15 I HA -0.204 3.970 4.170 0.005 0.000 0.250 15 I C 2.052 178.183 176.117 0.024 0.000 1.112 15 I CA 0.319 61.612 61.300 -0.012 0.000 1.438 15 I CB -0.066 37.906 38.000 -0.047 0.000 1.111 15 I HN 0.176 nan 8.210 nan 0.000 0.431 16 L N 0.367 121.609 121.223 0.030 0.000 2.081 16 L HA -0.285 4.058 4.340 0.005 0.000 0.212 16 L C 2.561 179.450 176.870 0.031 0.000 1.080 16 L CA 1.641 56.507 54.840 0.042 0.000 0.754 16 L CB -0.510 41.580 42.059 0.052 0.000 0.893 16 L HN 0.380 nan 8.230 nan 0.000 0.433 17 Q N -0.593 119.220 119.800 0.022 0.000 2.269 17 Q HA -0.121 4.222 4.340 0.005 0.000 0.201 17 Q C 2.017 178.028 176.000 0.019 0.000 0.946 17 Q CA 0.492 56.306 55.803 0.017 0.000 0.877 17 Q CB 0.263 29.007 28.738 0.010 0.000 0.963 17 Q HN 0.317 nan 8.270 nan 0.000 0.472 18 L N 0.016 121.252 121.223 0.022 0.000 2.418 18 L HA 0.054 4.398 4.340 0.005 0.000 0.218 18 L C 1.487 178.382 176.870 0.042 0.000 1.125 18 L CA 1.019 55.876 54.840 0.029 0.000 0.835 18 L CB 0.096 42.173 42.059 0.031 0.000 0.953 18 L HN 0.251 nan 8.230 nan 0.000 0.454 19 L N -1.420 119.829 121.223 0.044 0.000 2.179 19 L HA -0.119 4.225 4.340 0.005 0.000 0.208 19 L C 2.372 179.263 176.870 0.035 0.000 1.096 19 L CA 0.727 55.595 54.840 0.046 0.000 0.779 19 L CB -0.311 41.776 42.059 0.047 0.000 0.922 19 L HN 0.147 nan 8.230 nan 0.000 0.443 20 K N 0.410 120.827 120.400 0.029 0.000 2.009 20 K HA -0.215 4.109 4.320 0.005 0.000 0.210 20 K C 1.907 178.520 176.600 0.021 0.000 1.049 20 K CA 1.732 58.033 56.287 0.024 0.000 0.929 20 K CB -0.071 32.441 32.500 0.021 0.000 0.714 20 K HN 0.279 nan 8.250 nan 0.000 0.440 21 E N 0.264 120.476 120.200 0.021 0.000 2.347 21 E HA -0.083 4.271 4.350 0.005 0.000 0.196 21 E C 1.341 177.954 176.600 0.021 0.000 1.008 21 E CA 0.946 57.357 56.400 0.018 0.000 0.852 21 E CB 0.156 29.866 29.700 0.016 0.000 0.783 21 E HN 0.265 nan 8.360 nan 0.000 0.505 22 S N -0.077 115.639 115.700 0.027 0.000 2.754 22 S HA 0.031 4.504 4.470 0.005 0.000 0.223 22 S C 1.165 175.781 174.600 0.026 0.000 0.951 22 S CA 0.061 58.279 58.200 0.030 0.000 0.954 22 S CB 0.172 63.397 63.200 0.041 0.000 0.780 22 S HN 0.185 nan 8.310 nan 0.000 0.509 23 Q N 0.547 120.360 119.800 0.022 0.000 2.127 23 Q HA 0.307 4.650 4.340 0.005 0.000 0.222 23 Q C -0.014 175.995 176.000 0.015 0.000 0.794 23 Q CA -0.226 55.588 55.803 0.019 0.000 1.010 23 Q CB 0.954 29.703 28.738 0.018 0.000 1.170 23 Q HN 0.479 nan 8.270 nan 0.000 0.479 24 S N 1.580 117.289 115.700 0.015 0.000 2.560 24 S HA 0.063 4.537 4.470 0.005 0.000 0.284 24 S C -1.609 172.997 174.600 0.010 0.000 1.327 24 S CA -1.173 57.034 58.200 0.012 0.000 1.055 24 S CB 0.705 63.912 63.200 0.011 0.000 0.868 24 S HN -0.003 nan 8.310 nan 0.000 0.506 25 P HA -0.062 nan 4.420 nan 0.000 0.215 25 P C -0.125 177.179 177.300 0.007 0.000 1.153 25 P CA 1.037 64.142 63.100 0.007 0.000 0.853 25 P CB -0.124 31.579 31.700 0.006 0.000 0.788 26 D N -1.792 118.612 120.400 0.007 0.000 2.264 26 D HA 0.038 4.681 4.640 0.005 0.000 0.249 26 D C 0.596 176.900 176.300 0.007 0.000 1.070 26 D CA -0.110 53.894 54.000 0.006 0.000 0.912 26 D CB 0.561 41.364 40.800 0.005 0.000 1.193 26 D HN -0.034 nan 8.370 nan 0.000 0.427 27 T N 0.660 115.218 114.554 0.006 0.000 2.985 27 T HA -0.092 4.261 4.350 0.005 0.000 0.266 27 T C 1.754 176.458 174.700 0.006 0.000 1.076 27 T CA 1.290 63.394 62.100 0.006 0.000 1.135 27 T CB -0.360 68.511 68.868 0.005 0.000 0.890 27 T HN 0.548 nan 8.240 nan 0.000 0.480 28 T N 2.707 117.264 114.554 0.005 0.000 2.684 28 T HA -0.014 4.339 4.350 0.005 0.000 0.267 28 T C 1.926 176.629 174.700 0.005 0.000 1.036 28 T CA 1.146 63.249 62.100 0.004 0.000 1.148 28 T CB -0.401 68.469 68.868 0.003 0.000 0.863 28 T HN 0.418 nan 8.240 nan 0.000 0.436 29 I N 0.415 120.989 120.570 0.006 0.000 2.716 29 I HA -0.028 4.146 4.170 0.005 0.000 0.259 29 I C 2.750 178.873 176.117 0.010 0.000 1.172 29 I CA 0.629 61.933 61.300 0.007 0.000 1.478 29 I CB -0.406 37.599 38.000 0.008 0.000 1.104 29 I HN 0.211 nan 8.210 nan 0.000 0.439 30 Q N 0.950 120.756 119.800 0.011 0.000 1.967 30 Q HA -0.192 4.151 4.340 0.005 0.000 0.202 30 Q C 2.430 178.439 176.000 0.015 0.000 0.985 30 Q CA 1.659 57.470 55.803 0.014 0.000 0.839 30 Q CB -0.116 28.630 28.738 0.013 0.000 0.906 30 Q HN 0.330 nan 8.270 nan 0.000 0.423 31 R N -0.149 120.359 120.500 0.012 0.000 2.115 31 R HA -0.111 4.232 4.340 0.005 0.000 0.230 31 R C 2.366 178.672 176.300 0.010 0.000 1.111 31 R CA 1.726 57.833 56.100 0.012 0.000 0.976 31 R CB -0.096 30.209 30.300 0.009 0.000 0.870 31 R HN 0.453 nan 8.270 nan 0.000 0.445 32 T N -2.580 111.978 114.554 0.008 0.000 2.904 32 T HA -0.018 4.336 4.350 0.005 0.000 0.267 32 T C 1.849 176.553 174.700 0.006 0.000 1.059 32 T CA 0.793 62.896 62.100 0.005 0.000 1.137 32 T CB -0.150 68.720 68.868 0.003 0.000 0.879 32 T HN -0.028 nan 8.240 nan 0.000 0.467 33 V N 1.513 121.433 119.914 0.011 0.000 2.719 33 V HA -0.053 4.070 4.120 0.005 0.000 0.252 33 V C 2.724 178.831 176.094 0.021 0.000 1.065 33 V CA 1.336 63.644 62.300 0.014 0.000 1.086 33 V CB -0.531 31.303 31.823 0.017 0.000 0.700 33 V HN 0.500 nan 8.190 nan 0.000 0.467 34 Q N -0.623 119.191 119.800 0.024 0.000 2.172 34 Q HA -0.234 4.109 4.340 0.005 0.000 0.200 34 Q C 2.222 178.236 176.000 0.023 0.000 0.964 34 Q CA 1.502 57.325 55.803 0.032 0.000 0.855 34 Q CB -0.094 28.664 28.738 0.034 0.000 0.918 34 Q HN 0.595 nan 8.270 nan 0.000 0.444 35 Q N 1.523 121.331 119.800 0.013 0.000 2.016 35 Q HA -0.134 4.209 4.340 0.005 0.000 0.200 35 Q C 1.429 177.421 176.000 -0.013 0.000 0.978 35 Q CA 1.611 57.416 55.803 0.002 0.000 0.833 35 Q CB 0.089 28.827 28.738 0.000 0.000 0.895 35 Q HN 0.090 nan 8.270 nan 0.000 0.427 36 K N -0.395 119.998 120.400 -0.012 0.000 2.442 36 K HA -0.111 4.212 4.320 0.005 0.000 0.198 36 K C 1.604 178.180 176.600 -0.040 0.000 1.044 36 K CA 0.522 56.795 56.287 -0.024 0.000 0.948 36 K CB -0.017 32.475 32.500 -0.013 0.000 0.762 36 K HN 0.177 nan 8.250 nan 0.000 0.472 37 L N 1.303 122.511 121.223 -0.024 0.000 2.117 37 L HA -0.096 4.247 4.340 0.005 0.000 0.200 37 L C 1.612 178.408 176.870 -0.122 0.000 1.110 37 L CA 1.746 56.575 54.840 -0.018 0.000 0.774 37 L CB -0.379 41.717 42.059 0.063 0.000 0.934 37 L HN 0.074 nan 8.230 nan 0.000 0.456 38 E N -0.970 119.199 120.200 -0.050 0.000 2.511 38 E HA -0.175 4.178 4.350 0.005 0.000 0.196 38 E C 1.720 178.228 176.600 -0.153 0.000 1.066 38 E CA 0.703 57.059 56.400 -0.073 0.000 0.871 38 E CB -0.664 29.085 29.700 0.082 0.000 0.863 38 E HN 0.634 nan 8.360 nan 0.000 0.520 39 Q N 0.195 119.902 119.800 -0.154 0.000 2.432 39 Q HA 0.144 4.487 4.340 0.005 0.000 0.205 39 Q C 1.096 176.970 176.000 -0.211 0.000 0.945 39 Q CA 0.211 55.921 55.803 -0.156 0.000 0.924 39 Q CB 0.124 28.806 28.738 -0.094 0.000 1.016 39 Q HN 0.414 nan 8.270 nan 0.000 0.503 40 L N 0.415 121.445 121.223 -0.321 0.000 2.645 40 L HA 0.050 4.394 4.340 0.005 0.000 0.235 40 L C 1.304 177.818 176.870 -0.594 0.000 1.150 40 L CA 0.024 54.656 54.840 -0.347 0.000 0.911 40 L CB -0.173 41.583 42.059 -0.506 0.000 1.077 40 L HN 0.206 nan 8.230 nan 0.000 0.438 41 N N -0.239 118.160 118.700 -0.501 0.000 2.494 41 N HA -0.130 4.613 4.740 0.005 0.000 0.182 41 N C 1.814 177.209 175.510 -0.192 0.000 1.076 41 N CA 0.345 53.221 53.050 -0.289 0.000 0.908 41 N CB 0.238 38.592 38.487 -0.221 0.000 0.967 41 N HN 0.375 nan 8.380 nan 0.000 0.449 42 Q N -0.672 118.958 119.800 -0.283 0.000 2.124 42 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 42 Q C -0.226 175.588 176.000 -0.309 0.000 0.977 42 Q CA 0.932 56.525 55.803 -0.351 0.000 0.850 42 Q CB -0.070 28.352 28.738 -0.527 0.000 0.901 42 Q HN 0.476 nan 8.270 nan 0.000 0.429 43 Y N 1.217 121.471 120.300 -0.077 0.000 2.442 43 Y HA 0.024 4.577 4.550 0.005 0.000 0.330 43 Y C -1.313 174.597 175.900 0.016 0.000 1.129 43 Y CA -1.982 56.109 58.100 -0.015 0.000 1.365 43 Y CB 0.143 38.615 38.460 0.020 0.000 1.233 43 Y HN 0.098 nan 8.280 nan 0.000 0.529 44 P HA -0.089 nan 4.420 nan 0.000 0.241 44 P C 0.483 177.804 177.300 0.035 0.000 1.191 44 P CA 1.019 64.136 63.100 0.029 0.000 0.771 44 P CB 0.535 32.231 31.700 -0.007 0.000 0.929 45 D N -1.469 119.013 120.400 0.137 0.000 2.367 45 D HA -0.011 4.632 4.640 0.005 0.000 0.207 45 D C 1.410 177.858 176.300 0.246 0.000 1.034 45 D CA -0.192 53.875 54.000 0.112 0.000 0.861 45 D CB -0.326 40.547 40.800 0.121 0.000 0.943 45 D HN -0.059 nan 8.370 nan 0.000 0.515 46 F N 1.904 121.955 119.950 0.168 0.000 2.069 46 F HA -0.127 4.403 4.527 0.005 0.000 0.298 46 F C 1.642 177.570 175.800 0.213 0.000 1.113 46 F CA 1.655 59.781 58.000 0.209 0.000 1.214 46 F CB -0.604 38.469 39.000 0.122 0.000 0.978 46 F HN -0.099 nan 8.300 nan 0.000 0.474 47 N N -0.026 118.614 118.700 -0.099 0.000 2.520 47 N HA -0.149 4.595 4.740 0.005 0.000 0.185 47 N C 1.180 176.618 175.510 -0.119 0.000 1.068 47 N CA 0.847 53.772 53.050 -0.209 0.000 0.911 47 N CB -0.321 38.095 38.487 -0.117 0.000 0.961 47 N HN 0.485 nan 8.380 nan 0.000 0.446 48 N N -0.587 118.064 118.700 -0.081 0.000 2.216 48 N HA -0.080 4.663 4.740 0.005 0.000 0.183 48 N C 0.903 176.368 175.510 -0.075 0.000 1.017 48 N CA 0.638 53.654 53.050 -0.056 0.000 0.861 48 N CB 0.029 38.406 38.487 -0.183 0.000 0.986 48 N HN 0.256 nan 8.380 nan 0.000 0.428 49 Y N 0.739 120.953 120.300 -0.144 0.000 2.165 49 Y HA -0.163 4.391 4.550 0.005 0.000 0.286 49 Y C 1.935 177.808 175.900 -0.045 0.000 1.155 49 Y CA 0.667 58.709 58.100 -0.098 0.000 1.164 49 Y CB -0.309 38.054 38.460 -0.161 0.000 0.978 49 Y HN 0.039 nan 8.280 nan 0.000 0.513 50 L N -0.621 120.585 121.223 -0.028 0.000 2.012 50 L HA -0.225 4.118 4.340 0.005 0.000 0.210 50 L C 2.342 179.209 176.870 -0.005 0.000 1.073 50 L CA 1.431 56.232 54.840 -0.066 0.000 0.748 50 L CB -1.189 40.761 42.059 -0.181 0.000 0.891 50 L HN 0.260 nan 8.230 nan 0.000 0.431 51 I N -1.420 119.142 120.570 -0.014 0.000 2.252 51 I HA -0.308 3.865 4.170 0.005 0.000 0.245 51 I C 2.384 178.485 176.117 -0.027 0.000 1.102 51 I CA 1.177 62.441 61.300 -0.059 0.000 1.385 51 I CB -0.364 37.531 38.000 -0.175 0.000 1.064 51 I HN 0.218 nan 8.210 nan 0.000 0.414 52 F N 0.149 120.045 119.950 -0.091 0.000 2.126 52 F HA -0.226 4.304 4.527 0.005 0.000 0.299 52 F C 2.243 178.040 175.800 -0.004 0.000 1.096 52 F CA 2.053 60.026 58.000 -0.045 0.000 1.255 52 F CB -0.362 38.601 39.000 -0.061 0.000 0.997 52 F HN -0.066 nan 8.300 nan 0.000 0.479 53 V N 0.381 120.345 119.914 0.082 0.000 2.343 53 V HA -0.277 3.846 4.120 0.005 0.000 0.247 53 V C 2.269 178.321 176.094 -0.071 0.000 1.051 53 V CA 1.739 64.041 62.300 0.003 0.000 1.036 53 V CB -0.797 31.073 31.823 0.078 0.000 0.654 53 V HN 0.442 nan 8.190 nan 0.000 0.451 54 L N -0.168 121.023 121.223 -0.054 0.000 2.027 54 L HA -0.125 4.219 4.340 0.005 0.000 0.206 54 L C 2.448 179.268 176.870 -0.083 0.000 1.074 54 L CA 2.827 57.633 54.840 -0.056 0.000 0.745 54 L CB -0.643 41.391 42.059 -0.042 0.000 0.898 54 L HN 0.402 nan 8.230 nan 0.000 0.433 55 T N -2.712 111.771 114.554 -0.117 0.000 3.042 55 T HA 0.035 4.388 4.350 0.005 0.000 0.245 55 T C 1.756 176.372 174.700 -0.140 0.000 1.029 55 T CA 0.249 62.285 62.100 -0.107 0.000 1.120 55 T CB 0.027 68.841 68.868 -0.091 0.000 0.917 55 T HN 0.122 nan 8.240 nan 0.000 0.467 56 K N 0.676 120.908 120.400 -0.281 0.000 2.308 56 K HA 0.335 4.658 4.320 0.005 0.000 0.197 56 K C 0.593 176.943 176.600 -0.417 0.000 1.049 56 K CA 0.077 56.147 56.287 -0.362 0.000 0.991 56 K CB 0.030 32.197 32.500 -0.555 0.000 0.836 56 K HN 0.363 nan 8.250 nan 0.000 0.500 57 L N 3.097 124.049 121.223 -0.451 0.000 2.334 57 L HA 0.090 4.434 4.340 0.005 0.000 0.286 57 L C 1.129 177.928 176.870 -0.118 0.000 1.108 57 L CA -0.165 54.524 54.840 -0.252 0.000 0.875 57 L CB 0.492 42.444 42.059 -0.178 0.000 1.246 57 L HN -0.114 nan 8.230 nan 0.000 0.439 58 K N 0.491 120.844 120.400 -0.078 0.000 2.305 58 K HA -0.025 4.298 4.320 0.005 0.000 0.199 58 K C 1.938 178.527 176.600 -0.018 0.000 1.047 58 K CA 0.825 57.088 56.287 -0.039 0.000 0.976 58 K CB 0.169 32.654 32.500 -0.025 0.000 0.765 58 K HN 0.616 nan 8.250 nan 0.000 0.474 59 S N 0.442 116.135 115.700 -0.011 0.000 2.481 59 S HA -0.064 4.409 4.470 0.005 0.000 0.231 59 S C 0.855 175.460 174.600 0.009 0.000 0.996 59 S CA 0.290 58.494 58.200 0.007 0.000 0.942 59 S CB -0.019 63.194 63.200 0.021 0.000 0.768 59 S HN 0.188 nan 8.310 nan 0.000 0.520 60 E N 2.624 122.825 120.200 0.002 0.000 2.283 60 E HA 0.272 4.625 4.350 0.005 0.000 0.271 60 E C -0.427 176.175 176.600 0.002 0.000 1.031 60 E CA -0.772 55.633 56.400 0.008 0.000 0.868 60 E CB 0.709 30.415 29.700 0.010 0.000 1.094 60 E HN 0.417 nan 8.360 nan 0.000 0.401 61 D N 2.128 122.533 120.400 0.007 0.000 2.362 61 D HA -0.036 4.607 4.640 0.005 0.000 0.242 61 D C 0.222 176.524 176.300 0.003 0.000 1.132 61 D CA 0.026 54.030 54.000 0.006 0.000 0.907 61 D CB 0.938 41.744 40.800 0.009 0.000 1.195 61 D HN 0.539 nan 8.370 nan 0.000 0.429 62 E N 0.613 120.815 120.200 0.002 0.000 2.077 62 E HA -0.111 4.242 4.350 0.005 0.000 0.193 62 E C -0.912 175.690 176.600 0.003 0.000 0.989 62 E CA 1.101 57.501 56.400 0.000 0.000 0.800 62 E CB -0.755 28.946 29.700 0.001 0.000 0.746 62 E HN 0.481 nan 8.360 nan 0.000 0.452 63 P HA -0.174 nan 4.420 nan 0.000 0.214 63 P C 1.253 178.560 177.300 0.011 0.000 1.163 63 P CA 1.644 64.749 63.100 0.009 0.000 0.889 63 P CB -0.089 31.617 31.700 0.010 0.000 0.790 64 T N -0.486 114.075 114.554 0.013 0.000 2.684 64 T HA -0.156 4.198 4.350 0.005 0.000 0.267 64 T C 1.808 176.517 174.700 0.015 0.000 1.036 64 T CA 1.399 63.509 62.100 0.017 0.000 1.148 64 T CB -0.629 68.250 68.868 0.019 0.000 0.863 64 T HN 0.147 nan 8.240 nan 0.000 0.436 65 R N 0.855 121.359 120.500 0.007 0.000 2.080 65 R HA -0.081 4.262 4.340 0.005 0.000 0.236 65 R C 2.976 179.276 176.300 -0.000 0.000 1.137 65 R CA 1.574 57.673 56.100 -0.002 0.000 0.943 65 R CB -0.696 29.595 30.300 -0.015 0.000 0.846 65 R HN 0.245 nan 8.270 nan 0.000 0.431 66 S N 0.846 116.547 115.700 0.002 0.000 2.359 66 S HA -0.161 4.312 4.470 0.005 0.000 0.223 66 S C 1.896 176.502 174.600 0.010 0.000 1.039 66 S CA 1.425 59.627 58.200 0.003 0.000 1.042 66 S CB -0.283 62.919 63.200 0.004 0.000 0.915 66 S HN 0.246 nan 8.310 nan 0.000 0.439 67 L N 1.501 122.734 121.223 0.016 0.000 2.012 67 L HA -0.062 4.281 4.340 0.005 0.000 0.210 67 L C 2.503 179.392 176.870 0.032 0.000 1.073 67 L CA 2.610 57.465 54.840 0.025 0.000 0.748 67 L CB -1.267 40.809 42.059 0.028 0.000 0.891 67 L HN 0.391 nan 8.230 nan 0.000 0.431 68 S N -0.626 115.091 115.700 0.028 0.000 2.374 68 S HA -0.179 4.294 4.470 0.005 0.000 0.227 68 S C 2.036 176.648 174.600 0.020 0.000 1.037 68 S CA 1.476 59.692 58.200 0.028 0.000 1.024 68 S CB -0.953 62.260 63.200 0.021 0.000 0.861 68 S HN 0.698 nan 8.310 nan 0.000 0.456 69 G N 1.210 110.017 108.800 0.013 0.000 2.408 69 G HA2 -0.060 3.903 3.960 0.005 0.000 0.217 69 G HA3 -0.060 3.903 3.960 0.005 0.000 0.217 69 G C 1.283 176.196 174.900 0.023 0.000 1.150 69 G CA 0.708 45.813 45.100 0.010 0.000 0.776 69 G HN 0.459 nan 8.290 nan 0.000 0.542 70 L N 0.652 121.890 121.223 0.025 0.000 2.141 70 L HA 0.158 4.501 4.340 0.005 0.000 0.209 70 L C 2.803 179.703 176.870 0.050 0.000 1.094 70 L CA 0.795 55.652 54.840 0.029 0.000 0.763 70 L CB -0.945 41.128 42.059 0.023 0.000 0.908 70 L HN 0.238 nan 8.230 nan 0.000 0.437 71 I N -0.939 119.672 120.570 0.067 0.000 2.252 71 I HA -0.290 3.883 4.170 0.005 0.000 0.245 71 I C 2.381 178.580 176.117 0.136 0.000 1.102 71 I CA 0.658 62.022 61.300 0.107 0.000 1.385 71 I CB -0.277 37.800 38.000 0.129 0.000 1.064 71 I HN 0.201 nan 8.210 nan 0.000 0.414 72 L N 1.239 122.525 121.223 0.105 0.000 2.083 72 L HA -0.218 4.125 4.340 0.005 0.000 0.209 72 L C 2.405 179.352 176.870 0.129 0.000 1.083 72 L CA 1.884 56.803 54.840 0.131 0.000 0.752 72 L CB -0.788 41.316 42.059 0.076 0.000 0.899 72 L HN 0.126 nan 8.230 nan 0.000 0.433 73 K N -0.533 119.906 120.400 0.066 0.000 2.026 73 K HA -0.187 4.137 4.320 0.005 0.000 0.208 73 K C 1.748 178.362 176.600 0.023 0.000 1.048 73 K CA 1.534 57.832 56.287 0.019 0.000 0.929 73 K CB -0.212 32.287 32.500 -0.001 0.000 0.713 73 K HN 0.423 nan 8.250 nan 0.000 0.439 74 N N 1.610 120.344 118.700 0.056 0.000 2.443 74 N HA -0.096 4.647 4.740 0.005 0.000 0.184 74 N C 0.731 176.304 175.510 0.106 0.000 1.037 74 N CA 0.676 53.762 53.050 0.060 0.000 0.896 74 N CB -0.208 38.321 38.487 0.070 0.000 0.959 74 N HN 0.261 nan 8.380 nan 0.000 0.442 75 N N -0.156 118.656 118.700 0.187 0.000 2.322 75 N HA 0.053 4.796 4.740 0.005 0.000 0.194 75 N C 1.093 176.776 175.510 0.288 0.000 1.126 75 N CA 0.116 53.362 53.050 0.326 0.000 0.845 75 N CB 0.733 39.498 38.487 0.463 0.000 0.976 75 N HN 0.064 nan 8.380 nan 0.000 0.475 76 V N -0.106 119.841 119.914 0.055 0.000 3.359 76 V HA 0.075 4.199 4.120 0.005 0.000 0.245 76 V C 1.901 177.909 176.094 -0.145 0.000 1.247 76 V CA 0.322 62.516 62.300 -0.177 0.000 1.145 76 V CB 0.356 31.906 31.823 -0.454 0.000 0.906 76 V HN 0.069 nan 8.190 nan 0.000 0.464 77 K N 1.457 121.800 120.400 -0.094 0.000 1.991 77 K HA 0.009 4.332 4.320 0.005 0.000 0.212 77 K C 0.906 177.465 176.600 -0.069 0.000 1.049 77 K CA 1.669 57.907 56.287 -0.081 0.000 0.932 77 K CB -0.120 32.344 32.500 -0.060 0.000 0.717 77 K HN 0.436 nan 8.250 nan 0.000 0.441 78 A N 0.811 123.570 122.820 -0.101 0.000 2.330 78 A HA 0.461 4.785 4.320 0.005 0.000 0.327 78 A C -0.804 176.641 177.584 -0.232 0.000 1.155 78 A CA -0.562 51.322 52.037 -0.256 0.000 0.803 78 A CB 0.468 19.201 19.000 -0.445 0.000 1.208 78 A HN 0.514 nan 8.150 nan 0.000 0.477 79 H N 0.479 119.642 119.070 0.156 0.000 3.033 79 H HA -0.166 4.394 4.556 0.006 0.000 0.261 79 H C -0.157 175.369 175.328 0.331 0.000 1.269 79 H CA 1.095 57.274 56.048 0.218 0.000 1.111 79 H CB -1.963 27.941 29.762 0.236 0.000 1.266 79 H HN 0.752 nan 8.280 nan 0.000 0.365 80 F N 1.409 121.406 119.950 0.078 0.000 2.656 80 F HA 0.117 4.648 4.527 0.005 0.000 0.291 80 F C 2.029 177.850 175.800 0.035 0.000 1.122 80 F CA 0.660 58.575 58.000 -0.140 0.000 1.427 80 F CB 0.467 39.252 39.000 -0.359 0.000 1.125 80 F HN -0.003 nan 8.300 nan 0.000 0.583 81 Q N -0.087 119.719 119.800 0.010 0.000 2.224 81 Q HA -0.151 4.192 4.340 0.005 0.000 0.203 81 Q C 1.168 177.143 176.000 -0.042 0.000 0.970 81 Q CA 1.324 57.088 55.803 -0.064 0.000 0.865 81 Q CB -0.515 28.237 28.738 0.024 0.000 0.922 81 Q HN 0.247 nan 8.270 nan 0.000 0.445 82 N N -0.381 118.367 118.700 0.080 0.000 2.327 82 N HA 0.125 4.868 4.740 0.005 0.000 0.231 82 N C -1.268 174.319 175.510 0.129 0.000 1.130 82 N CA -0.161 52.942 53.050 0.089 0.000 0.845 82 N CB 0.110 38.658 38.487 0.102 0.000 1.073 82 N HN 0.044 nan 8.380 nan 0.000 0.496 83 F N 1.032 120.850 119.950 -0.220 0.000 2.411 83 F HA 0.384 4.914 4.527 0.006 0.000 0.350 83 F C -1.492 174.200 175.800 -0.180 0.000 1.114 83 F CA -2.126 55.744 58.000 -0.216 0.000 1.135 83 F CB 0.916 39.642 39.000 -0.456 0.000 1.120 83 F HN 0.113 nan 8.300 nan 0.000 0.495 84 P HA 0.165 nan 4.420 nan 0.000 0.274 84 P C -0.075 177.208 177.300 -0.029 0.000 1.237 84 P CA -0.379 62.678 63.100 -0.071 0.000 0.793 84 P CB 0.770 32.410 31.700 -0.099 0.000 0.977 85 N N 0.957 119.643 118.700 -0.024 0.000 2.080 85 N HA -0.108 4.636 4.740 0.005 0.000 0.189 85 N C 1.961 177.474 175.510 0.006 0.000 1.036 85 N CA 1.877 54.922 53.050 -0.007 0.000 0.846 85 N CB -0.998 37.481 38.487 -0.013 0.000 1.015 85 N HN 0.593 nan 8.380 nan 0.000 0.423 86 G N 1.508 110.303 108.800 -0.009 0.000 2.442 86 G HA2 -0.172 3.791 3.960 0.005 0.000 0.219 86 G HA3 -0.172 3.791 3.960 0.005 0.000 0.219 86 G C 1.790 176.709 174.900 0.031 0.000 1.141 86 G CA 0.879 45.977 45.100 -0.002 0.000 0.763 86 G HN 0.167 nan 8.290 nan 0.000 0.554 87 V N 1.160 121.078 119.914 0.007 0.000 2.233 87 V HA -0.232 3.891 4.120 0.005 0.000 0.247 87 V C 3.146 179.315 176.094 0.124 0.000 1.050 87 V CA 2.512 64.837 62.300 0.042 0.000 1.010 87 V CB -1.278 30.485 31.823 -0.100 0.000 0.637 87 V HN 0.410 nan 8.190 nan 0.000 0.444 88 T N 0.093 114.734 114.554 0.145 0.000 2.635 88 T HA -0.235 4.118 4.350 0.005 0.000 0.267 88 T C 1.616 176.322 174.700 0.010 0.000 1.040 88 T CA 1.914 64.128 62.100 0.190 0.000 1.156 88 T CB -0.519 68.476 68.868 0.212 0.000 0.863 88 T HN 0.541 nan 8.240 nan 0.000 0.430 89 D N 0.475 120.873 120.400 -0.004 0.000 2.117 89 D HA -0.054 4.589 4.640 0.005 0.000 0.197 89 D C 1.713 178.027 176.300 0.023 0.000 0.987 89 D CA 0.751 54.722 54.000 -0.048 0.000 0.829 89 D CB -0.602 40.199 40.800 0.002 0.000 0.961 89 D HN 0.460 nan 8.370 nan 0.000 0.460 90 F N 1.129 121.043 119.950 -0.061 0.000 2.186 90 F HA -0.075 4.455 4.527 0.006 0.000 0.299 90 F C 2.097 177.872 175.800 -0.043 0.000 1.090 90 F CA 0.881 58.850 58.000 -0.052 0.000 1.307 90 F CB 0.024 38.951 39.000 -0.122 0.000 1.019 90 F HN -0.163 nan 8.300 nan 0.000 0.489 91 I N 0.565 120.997 120.570 -0.230 0.000 2.252 91 I HA -0.282 3.891 4.170 0.005 0.000 0.245 91 I C 2.252 178.250 176.117 -0.198 0.000 1.102 91 I CA 1.380 62.520 61.300 -0.266 0.000 1.385 91 I CB -0.554 37.416 38.000 -0.051 0.000 1.064 91 I HN 0.072 nan 8.210 nan 0.000 0.414 92 K N 0.299 120.563 120.400 -0.227 0.000 2.057 92 K HA -0.178 4.145 4.320 0.005 0.000 0.207 92 K C 2.406 178.995 176.600 -0.018 0.000 1.049 92 K CA 1.717 57.809 56.287 -0.325 0.000 0.931 92 K CB -0.260 31.701 32.500 -0.899 0.000 0.714 92 K HN 0.154 nan 8.250 nan 0.000 0.440 93 S N 0.890 116.568 115.700 -0.037 0.000 2.356 93 S HA -0.151 4.323 4.470 0.005 0.000 0.223 93 S C 1.815 176.432 174.600 0.029 0.000 1.032 93 S CA 1.224 59.458 58.200 0.056 0.000 1.005 93 S CB -0.084 63.187 63.200 0.118 0.000 0.867 93 S HN 0.199 nan 8.310 nan 0.000 0.449 94 E N 0.299 120.432 120.200 -0.112 0.000 2.204 94 E HA -0.060 4.294 4.350 0.005 0.000 0.194 94 E C 2.276 178.846 176.600 -0.050 0.000 0.989 94 E CA 0.647 56.973 56.400 -0.123 0.000 0.824 94 E CB -0.539 28.949 29.700 -0.353 0.000 0.756 94 E HN 0.564 nan 8.360 nan 0.000 0.477 95 C N 0.332 119.624 119.300 -0.012 0.000 2.508 95 C HA -0.073 4.390 4.460 0.005 0.000 0.280 95 C C 2.620 177.649 174.990 0.066 0.000 1.262 95 C CA 0.116 59.160 59.018 0.043 0.000 1.706 95 C CB -0.957 26.855 27.740 0.119 0.000 2.078 95 C HN 0.311 nan 8.230 nan 0.000 0.480 96 L N 1.900 123.201 121.223 0.130 0.000 2.187 96 L HA -0.097 4.246 4.340 0.005 0.000 0.213 96 L C 1.850 178.750 176.870 0.051 0.000 1.100 96 L CA 1.717 56.613 54.840 0.094 0.000 0.765 96 L CB -0.962 41.194 42.059 0.162 0.000 0.904 96 L HN 0.394 nan 8.230 nan 0.000 0.437 97 N N -0.734 118.000 118.700 0.056 0.000 2.494 97 N HA -0.032 4.712 4.740 0.005 0.000 0.182 97 N C 0.887 176.412 175.510 0.024 0.000 1.076 97 N CA 0.569 53.645 53.050 0.043 0.000 0.908 97 N CB -0.057 38.466 38.487 0.060 0.000 0.967 97 N HN 0.437 nan 8.380 nan 0.000 0.449 98 N N -0.016 118.692 118.700 0.013 0.000 2.160 98 N HA 0.139 4.882 4.740 0.005 0.000 0.226 98 N C 1.238 176.741 175.510 -0.011 0.000 1.256 98 N CA -0.099 52.951 53.050 -0.000 0.000 0.890 98 N CB 1.177 39.660 38.487 -0.007 0.000 1.116 98 N HN 0.134 nan 8.380 nan 0.000 0.517 99 I N 0.860 121.421 120.570 -0.015 0.000 2.381 99 I HA -0.186 3.987 4.170 0.005 0.000 0.255 99 I C 0.970 177.057 176.117 -0.050 0.000 1.140 99 I CA 1.391 62.669 61.300 -0.036 0.000 1.404 99 I CB 0.152 38.120 38.000 -0.054 0.000 1.075 99 I HN 0.051 nan 8.210 nan 0.000 0.433 100 G N 0.336 109.111 108.800 -0.041 0.000 4.828 100 G HA2 0.120 4.083 3.960 0.005 0.000 0.294 100 G HA3 0.120 4.083 3.960 0.005 0.000 0.294 100 G C -0.552 174.337 174.900 -0.019 0.000 1.288 100 G CA -0.366 44.706 45.100 -0.045 0.000 0.987 100 G HN 0.316 nan 8.290 nan 0.000 0.587 101 D N 0.345 120.737 120.400 -0.013 0.000 2.449 101 D HA 0.126 4.769 4.640 0.005 0.000 0.236 101 D C 2.092 178.397 176.300 0.007 0.000 1.149 101 D CA 0.749 54.748 54.000 -0.002 0.000 0.878 101 D CB 1.110 41.906 40.800 -0.006 0.000 1.198 101 D HN 0.166 nan 8.370 nan 0.000 0.446 102 S N 1.376 117.085 115.700 0.016 0.000 2.419 102 S HA -0.145 4.329 4.470 0.005 0.000 0.233 102 S C 1.092 175.708 174.600 0.026 0.000 1.016 102 S CA 0.397 58.614 58.200 0.028 0.000 0.974 102 S CB -0.144 63.073 63.200 0.028 0.000 0.786 102 S HN 0.332 nan 8.310 nan 0.000 0.492 103 S N 2.625 118.335 115.700 0.016 0.000 2.439 103 S HA 0.392 4.865 4.470 0.005 0.000 0.282 103 S C -1.825 172.783 174.600 0.013 0.000 1.170 103 S CA -1.623 56.585 58.200 0.014 0.000 1.054 103 S CB 0.996 64.201 63.200 0.007 0.000 0.956 103 S HN 0.077 nan 8.310 nan 0.000 0.490 104 P HA -0.085 nan 4.420 nan 0.000 0.218 104 P C 1.428 178.734 177.300 0.010 0.000 1.148 104 P CA 0.399 63.510 63.100 0.019 0.000 0.822 104 P CB 0.115 31.831 31.700 0.027 0.000 0.784 105 L N -0.946 120.282 121.223 0.008 0.000 2.056 105 L HA -0.104 4.240 4.340 0.005 0.000 0.207 105 L C 1.993 178.863 176.870 -0.001 0.000 1.078 105 L CA 1.858 56.700 54.840 0.004 0.000 0.749 105 L CB -1.097 40.965 42.059 0.005 0.000 0.901 105 L HN -0.157 nan 8.230 nan 0.000 0.433 106 I N -0.414 120.155 120.570 -0.003 0.000 2.202 106 I HA -0.240 3.933 4.170 0.005 0.000 0.242 106 I C 2.659 178.769 176.117 -0.012 0.000 1.091 106 I CA 1.242 62.537 61.300 -0.009 0.000 1.368 106 I CB -1.394 36.599 38.000 -0.011 0.000 1.058 106 I HN 0.398 nan 8.210 nan 0.000 0.410 107 R N 1.104 121.598 120.500 -0.010 0.000 2.096 107 R HA -0.203 4.140 4.340 0.005 0.000 0.240 107 R C 2.291 178.579 176.300 -0.020 0.000 1.139 107 R CA 2.071 58.160 56.100 -0.017 0.000 0.952 107 R CB -0.138 30.153 30.300 -0.015 0.000 0.854 107 R HN 0.358 nan 8.270 nan 0.000 0.436 108 A N -0.403 122.410 122.820 -0.012 0.000 1.930 108 A HA -0.090 4.233 4.320 0.005 0.000 0.217 108 A C 2.139 179.716 177.584 -0.012 0.000 1.175 108 A CA 1.807 53.838 52.037 -0.011 0.000 0.627 108 A CB -0.568 18.430 19.000 -0.002 0.000 0.815 108 A HN 0.443 nan 8.150 nan 0.000 0.443 109 T N -0.341 114.207 114.554 -0.010 0.000 2.701 109 T HA -0.105 4.248 4.350 0.005 0.000 0.263 109 T C 1.892 176.585 174.700 -0.012 0.000 1.040 109 T CA 1.538 63.633 62.100 -0.009 0.000 1.147 109 T CB -0.517 68.347 68.868 -0.007 0.000 0.865 109 T HN 0.117 nan 8.240 nan 0.000 0.426 110 V N 1.646 121.551 119.914 -0.014 0.000 2.380 110 V HA -0.183 3.940 4.120 0.005 0.000 0.251 110 V C 2.812 178.898 176.094 -0.014 0.000 1.063 110 V CA 2.003 64.296 62.300 -0.013 0.000 1.055 110 V CB -1.477 30.336 31.823 -0.016 0.000 0.657 110 V HN 0.636 nan 8.190 nan 0.000 0.455 111 G N -0.346 108.439 108.800 -0.025 0.000 2.514 111 G HA2 -0.327 3.636 3.960 0.005 0.000 0.217 111 G HA3 -0.327 3.636 3.960 0.005 0.000 0.217 111 G C 1.638 176.519 174.900 -0.032 0.000 1.198 111 G CA 1.303 46.381 45.100 -0.037 0.000 0.780 111 G HN 0.515 nan 8.290 nan 0.000 0.565 112 I N 0.099 120.654 120.570 -0.025 0.000 2.676 112 I HA -0.012 4.161 4.170 0.005 0.000 0.259 112 I C 2.364 178.465 176.117 -0.028 0.000 1.194 112 I CA 0.193 61.477 61.300 -0.027 0.000 1.473 112 I CB 0.053 38.039 38.000 -0.023 0.000 1.096 112 I HN 0.037 nan 8.210 nan 0.000 0.443 113 L N 0.581 121.795 121.223 -0.016 0.000 1.989 113 L HA -0.239 4.104 4.340 0.005 0.000 0.211 113 L C 2.469 179.345 176.870 0.010 0.000 1.071 113 L CA 2.147 56.981 54.840 -0.010 0.000 0.749 113 L CB -1.083 40.980 42.059 0.006 0.000 0.890 113 L HN 0.270 nan 8.230 nan 0.000 0.431 114 I N -0.837 119.758 120.570 0.042 0.000 2.335 114 I HA -0.293 3.880 4.170 0.005 0.000 0.251 114 I C 2.331 178.454 176.117 0.010 0.000 1.129 114 I CA 1.213 62.564 61.300 0.084 0.000 1.402 114 I CB -0.390 37.608 38.000 -0.002 0.000 1.069 114 I HN 0.257 nan 8.210 nan 0.000 0.424 115 T N -0.369 114.166 114.554 -0.031 0.000 2.896 115 T HA -0.096 4.258 4.350 0.005 0.000 0.263 115 T C 1.915 176.577 174.700 -0.063 0.000 1.050 115 T CA 1.814 63.883 62.100 -0.052 0.000 1.140 115 T CB -0.075 68.762 68.868 -0.051 0.000 0.877 115 T HN 0.368 nan 8.240 nan 0.000 0.457 116 T N 1.807 116.312 114.554 -0.081 0.000 2.851 116 T HA 0.165 4.518 4.350 0.005 0.000 0.262 116 T C 1.978 176.538 174.700 -0.234 0.000 1.043 116 T CA 0.566 62.582 62.100 -0.140 0.000 1.140 116 T CB -0.246 68.537 68.868 -0.142 0.000 0.872 116 T HN 0.254 nan 8.240 nan 0.000 0.446 117 I N 1.701 122.138 120.570 -0.222 0.000 2.163 117 I HA -0.167 4.006 4.170 0.005 0.000 0.243 117 I C 2.692 178.722 176.117 -0.144 0.000 1.085 117 I CA 1.266 62.370 61.300 -0.326 0.000 1.347 117 I CB -0.327 37.600 38.000 -0.123 0.000 1.044 117 I HN 0.182 nan 8.210 nan 0.000 0.408 118 A N -1.039 121.804 122.820 0.039 0.000 2.235 118 A HA -0.073 4.250 4.320 0.005 0.000 0.208 118 A C 2.270 179.853 177.584 -0.002 0.000 1.172 118 A CA 1.429 53.514 52.037 0.080 0.000 0.786 118 A CB -0.353 18.675 19.000 0.047 0.000 0.804 118 A HN 0.409 nan 8.150 nan 0.000 0.479 119 S N -0.855 114.807 115.700 -0.064 0.000 2.452 119 S HA 0.003 4.476 4.470 0.005 0.000 0.225 119 S C 1.980 176.537 174.600 -0.071 0.000 1.057 119 S CA 1.142 59.305 58.200 -0.062 0.000 0.949 119 S CB -0.106 63.049 63.200 -0.075 0.000 0.836 119 S HN 0.426 nan 8.310 nan 0.000 0.518 120 K N 1.194 121.498 120.400 -0.160 0.000 2.057 120 K HA 0.125 4.448 4.320 0.005 0.000 0.206 120 K C 1.080 177.691 176.600 0.018 0.000 1.050 120 K CA 1.271 57.474 56.287 -0.140 0.000 0.935 120 K CB -0.678 31.594 32.500 -0.379 0.000 0.715 120 K HN 0.341 nan 8.250 nan 0.000 0.439 121 G N 0.593 109.410 108.800 0.027 0.000 3.714 121 G HA2 0.115 4.079 3.960 0.005 0.000 0.276 121 G HA3 0.115 4.079 3.960 0.005 0.000 0.276 121 G C -0.237 174.737 174.900 0.123 0.000 1.058 121 G CA -0.253 44.967 45.100 0.200 0.000 1.700 121 G HN 0.284 nan 8.290 nan 0.000 0.605 122 E N 0.078 120.329 120.200 0.084 0.000 2.884 122 E HA -0.291 4.062 4.350 0.005 0.000 0.224 122 E C 0.941 177.581 176.600 0.067 0.000 0.921 122 E CA 2.002 58.439 56.400 0.061 0.000 1.498 122 E CB -0.179 29.555 29.700 0.058 0.000 1.476 122 E HN 0.450 nan 8.360 nan 0.000 0.464 123 L N -1.020 120.253 121.223 0.084 0.000 2.410 123 L HA 0.082 4.426 4.340 0.005 0.000 0.260 123 L C -0.889 176.034 176.870 0.088 0.000 1.277 123 L CA 0.387 55.282 54.840 0.091 0.000 0.755 123 L CB -0.494 41.598 42.059 0.055 0.000 0.969 123 L HN 0.244 nan 8.230 nan 0.000 0.578 124 Q N -1.238 118.624 119.800 0.103 0.000 2.254 124 Q HA 0.357 4.700 4.340 0.005 0.000 0.259 124 Q C 1.138 177.210 176.000 0.119 0.000 0.815 124 Q CA 0.790 56.649 55.803 0.092 0.000 0.961 124 Q CB 0.325 29.105 28.738 0.070 0.000 1.140 124 Q HN 0.521 nan 8.270 nan 0.000 0.502 125 N N -0.422 118.366 118.700 0.147 0.000 2.398 125 N HA -0.001 4.743 4.740 0.005 0.000 0.188 125 N C -0.727 174.916 175.510 0.221 0.000 1.122 125 N CA 0.103 53.245 53.050 0.154 0.000 0.866 125 N CB 0.372 38.952 38.487 0.155 0.000 0.970 125 N HN 0.131 nan 8.380 nan 0.000 0.462 126 W N 1.992 123.320 121.300 0.047 0.000 1.809 126 W HA 0.377 5.040 4.660 0.006 0.000 0.298 126 W C -2.549 173.982 176.519 0.020 0.000 0.905 126 W CA -2.346 55.020 57.345 0.035 0.000 1.872 126 W CB 0.668 30.143 29.460 0.025 0.000 2.092 126 W HN -0.043 nan 8.180 nan 0.000 0.403 127 P HA -0.061 nan 4.420 nan 0.000 0.237 127 P C 0.477 177.850 177.300 0.121 0.000 1.178 127 P CA 1.177 64.365 63.100 0.146 0.000 0.766 127 P CB 0.481 32.248 31.700 0.111 0.000 0.876 128 D N -0.790 119.763 120.400 0.256 0.000 2.347 128 D HA -0.020 4.623 4.640 0.005 0.000 0.213 128 D C 1.775 178.043 176.300 -0.053 0.000 0.985 128 D CA 0.133 54.242 54.000 0.183 0.000 0.879 128 D CB -0.539 40.471 40.800 0.350 0.000 0.919 128 D HN 0.099 nan 8.370 nan 0.000 0.526 129 L N 0.223 121.210 121.223 -0.393 0.000 2.007 129 L HA -0.021 4.322 4.340 0.005 0.000 0.205 129 L C 1.841 178.457 176.870 -0.423 0.000 1.073 129 L CA 1.431 55.779 54.840 -0.820 0.000 0.744 129 L CB -0.375 40.909 42.059 -1.291 0.000 0.898 129 L HN 0.006 nan 8.230 nan 0.000 0.435 130 L N -0.275 120.780 121.223 -0.280 0.000 1.989 130 L HA -0.162 4.181 4.340 0.005 0.000 0.211 130 L C -0.009 176.764 176.870 -0.162 0.000 1.071 130 L CA 1.613 56.338 54.840 -0.192 0.000 0.749 130 L CB -2.193 39.787 42.059 -0.131 0.000 0.890 130 L HN 0.282 nan 8.230 nan 0.000 0.431 131 P HA -0.170 nan 4.420 nan 0.000 0.217 131 P C 1.418 178.658 177.300 -0.100 0.000 1.150 131 P CA 1.261 64.302 63.100 -0.099 0.000 0.832 131 P CB 0.075 31.738 31.700 -0.061 0.000 0.787 132 K N -0.542 119.792 120.400 -0.110 0.000 2.155 132 K HA -0.005 4.319 4.320 0.005 0.000 0.203 132 K C 1.954 178.474 176.600 -0.133 0.000 1.052 132 K CA 0.849 57.078 56.287 -0.096 0.000 0.948 132 K CB -0.768 31.687 32.500 -0.075 0.000 0.728 132 K HN 0.037 nan 8.250 nan 0.000 0.448 133 L N -0.377 120.735 121.223 -0.186 0.000 2.044 133 L HA -0.219 4.124 4.340 0.005 0.000 0.205 133 L C 2.274 179.016 176.870 -0.214 0.000 1.075 133 L CA 1.027 55.740 54.840 -0.212 0.000 0.747 133 L CB -0.427 41.487 42.059 -0.242 0.000 0.903 133 L HN 0.282 nan 8.230 nan 0.000 0.435 134 C N -1.236 117.949 119.300 -0.192 0.000 2.419 134 C HA -0.140 4.323 4.460 0.005 0.000 0.281 134 C C 3.289 178.203 174.990 -0.127 0.000 1.336 134 C CA 1.157 60.062 59.018 -0.188 0.000 1.770 134 C CB -0.666 26.970 27.740 -0.174 0.000 1.929 134 C HN 0.555 nan 8.230 nan 0.000 0.509 135 S N 0.472 116.112 115.700 -0.101 0.000 2.355 135 S HA -0.064 4.409 4.470 0.005 0.000 0.222 135 S C 1.574 176.141 174.600 -0.054 0.000 1.031 135 S CA 1.095 59.260 58.200 -0.058 0.000 0.993 135 S CB -0.184 62.988 63.200 -0.046 0.000 0.859 135 S HN 0.412 nan 8.310 nan 0.000 0.453 136 L N 1.503 122.673 121.223 -0.088 0.000 2.549 136 L HA 0.198 4.541 4.340 0.005 0.000 0.229 136 L C 1.847 178.653 176.870 -0.107 0.000 1.158 136 L CA 0.744 55.533 54.840 -0.085 0.000 0.842 136 L CB -1.014 40.983 42.059 -0.103 0.000 0.952 136 L HN 0.330 nan 8.230 nan 0.000 0.452 137 L N -0.707 120.424 121.223 -0.153 0.000 2.156 137 L HA -0.104 4.240 4.340 0.005 0.000 0.208 137 L C 1.615 178.526 176.870 0.069 0.000 1.095 137 L CA 1.535 56.233 54.840 -0.237 0.000 0.770 137 L CB -0.352 41.436 42.059 -0.452 0.000 0.914 137 L HN 0.267 nan 8.230 nan 0.000 0.439 138 D N -1.389 119.100 120.400 0.150 0.000 2.328 138 D HA 0.016 4.659 4.640 0.005 0.000 0.221 138 D C 0.779 177.172 176.300 0.154 0.000 1.072 138 D CA 0.117 54.258 54.000 0.236 0.000 0.850 138 D CB 0.172 41.070 40.800 0.163 0.000 0.922 138 D HN 0.158 nan 8.370 nan 0.000 0.516 139 S N 0.731 116.494 115.700 0.105 0.000 2.558 139 S HA -0.063 4.411 4.470 0.005 0.000 0.288 139 S C 1.384 176.054 174.600 0.116 0.000 1.318 139 S CA -0.045 58.203 58.200 0.079 0.000 1.056 139 S CB 1.098 64.319 63.200 0.035 0.000 0.853 139 S HN 0.084 nan 8.310 nan 0.000 0.505 140 E N 2.270 122.527 120.200 0.095 0.000 2.150 140 E HA -0.089 4.264 4.350 0.005 0.000 0.193 140 E C 0.155 176.828 176.600 0.122 0.000 0.985 140 E CA 0.708 57.170 56.400 0.104 0.000 0.814 140 E CB 0.041 29.785 29.700 0.073 0.000 0.752 140 E HN 0.748 nan 8.360 nan 0.000 0.466 141 D N -1.234 119.229 120.400 0.106 0.000 2.302 141 D HA -0.011 4.633 4.640 0.005 0.000 0.248 141 D C 0.424 176.819 176.300 0.158 0.000 1.094 141 D CA -0.150 53.923 54.000 0.121 0.000 0.897 141 D CB 0.754 41.602 40.800 0.079 0.000 1.200 141 D HN -0.065 nan 8.370 nan 0.000 0.429 142 Y N 3.789 124.139 120.300 0.082 0.000 2.109 142 Y HA -0.207 4.346 4.550 0.005 0.000 0.285 142 Y C 1.743 177.681 175.900 0.062 0.000 1.131 142 Y CA 1.348 59.505 58.100 0.095 0.000 1.121 142 Y CB -0.106 38.414 38.460 0.101 0.000 0.987 142 Y HN 0.450 nan 8.280 nan 0.000 0.495 143 N N -0.088 118.591 118.700 -0.034 0.000 2.184 143 N HA -0.199 4.544 4.740 0.005 0.000 0.190 143 N C 1.755 177.162 175.510 -0.171 0.000 1.011 143 N CA 2.183 55.152 53.050 -0.135 0.000 0.867 143 N CB -0.818 37.679 38.487 0.016 0.000 0.993 143 N HN 0.658 nan 8.380 nan 0.000 0.433 144 T N -2.337 112.152 114.554 -0.109 0.000 2.812 144 T HA -0.085 4.268 4.350 0.005 0.000 0.264 144 T C 2.367 176.978 174.700 -0.149 0.000 1.042 144 T CA 0.953 62.994 62.100 -0.098 0.000 1.140 144 T CB -0.996 67.845 68.868 -0.045 0.000 0.870 144 T HN 0.345 nan 8.240 nan 0.000 0.445 145 C N 1.657 120.861 119.300 -0.161 0.000 2.440 145 C HA 0.009 4.472 4.460 0.005 0.000 0.278 145 C C 2.830 177.670 174.990 -0.249 0.000 1.295 145 C CA 1.091 60.005 59.018 -0.173 0.000 1.738 145 C CB -1.112 26.594 27.740 -0.057 0.000 1.987 145 C HN 0.574 nan 8.230 nan 0.000 0.492 146 E N 0.549 120.500 120.200 -0.415 0.000 2.077 146 E HA -0.094 4.259 4.350 0.005 0.000 0.193 146 E C 2.277 178.715 176.600 -0.269 0.000 0.989 146 E CA 1.803 57.966 56.400 -0.394 0.000 0.800 146 E CB -0.662 28.630 29.700 -0.680 0.000 0.746 146 E HN 0.723 nan 8.360 nan 0.000 0.452 147 G N 0.571 109.231 108.800 -0.235 0.000 2.403 147 G HA2 -0.149 3.814 3.960 0.005 0.000 0.216 147 G HA3 -0.149 3.814 3.960 0.005 0.000 0.216 147 G C 1.702 176.483 174.900 -0.198 0.000 1.154 147 G CA 1.088 46.081 45.100 -0.178 0.000 0.784 147 G HN 0.411 nan 8.290 nan 0.000 0.538 148 A N 0.346 123.037 122.820 -0.215 0.000 1.873 148 A HA 0.155 4.478 4.320 0.005 0.000 0.215 148 A C 2.193 179.610 177.584 -0.279 0.000 1.186 148 A CA 1.093 52.986 52.037 -0.241 0.000 0.616 148 A CB -0.607 18.240 19.000 -0.255 0.000 0.823 148 A HN 0.340 nan 8.150 nan 0.000 0.442 149 F N 0.459 120.146 119.950 -0.438 0.000 2.269 149 F HA -0.083 4.447 4.527 0.005 0.000 0.301 149 F C 2.447 177.782 175.800 -0.775 0.000 1.082 149 F CA 0.624 58.284 58.000 -0.566 0.000 1.360 149 F CB -0.013 38.633 39.000 -0.591 0.000 1.041 149 F HN 0.351 nan 8.300 nan 0.000 0.512 150 G N -0.641 107.788 108.800 -0.618 0.000 2.402 150 G HA2 -0.205 3.759 3.960 0.005 0.000 0.216 150 G HA3 -0.205 3.759 3.960 0.005 0.000 0.216 150 G C 1.761 176.540 174.900 -0.201 0.000 1.162 150 G CA 0.646 45.448 45.100 -0.497 0.000 0.777 150 G HN 0.435 nan 8.290 nan 0.000 0.539 151 A N 0.429 123.139 122.820 -0.182 0.000 1.930 151 A HA 0.191 4.514 4.320 0.005 0.000 0.217 151 A C 2.372 179.883 177.584 -0.123 0.000 1.175 151 A CA 0.914 52.868 52.037 -0.138 0.000 0.627 151 A CB -0.359 18.547 19.000 -0.156 0.000 0.815 151 A HN 0.336 nan 8.150 nan 0.000 0.443 152 L N -0.845 120.296 121.223 -0.136 0.000 2.201 152 L HA -0.219 4.125 4.340 0.005 0.000 0.212 152 L C 2.840 179.680 176.870 -0.050 0.000 1.105 152 L CA 1.607 56.394 54.840 -0.088 0.000 0.775 152 L CB -0.309 41.675 42.059 -0.125 0.000 0.913 152 L HN 0.621 nan 8.230 nan 0.000 0.440 153 Q N 0.320 120.089 119.800 -0.052 0.000 2.016 153 Q HA -0.273 4.070 4.340 0.005 0.000 0.200 153 Q C 2.207 178.188 176.000 -0.031 0.000 0.978 153 Q CA 1.716 57.500 55.803 -0.030 0.000 0.833 153 Q CB 0.110 28.871 28.738 0.038 0.000 0.895 153 Q HN 0.165 nan 8.270 nan 0.000 0.427 154 K N 0.161 120.539 120.400 -0.036 0.000 2.063 154 K HA -0.140 4.183 4.320 0.005 0.000 0.208 154 K C 1.939 178.517 176.600 -0.036 0.000 1.048 154 K CA 1.285 57.550 56.287 -0.037 0.000 0.928 154 K CB -0.178 32.297 32.500 -0.042 0.000 0.713 154 K HN 0.229 nan 8.250 nan 0.000 0.442 155 I N 0.847 121.395 120.570 -0.036 0.000 2.163 155 I HA -0.342 3.831 4.170 0.005 0.000 0.243 155 I C 2.325 178.452 176.117 0.018 0.000 1.085 155 I CA 1.141 62.429 61.300 -0.019 0.000 1.347 155 I CB -1.309 36.671 38.000 -0.033 0.000 1.044 155 I HN 0.309 nan 8.210 nan 0.000 0.408 156 C N 0.432 119.757 119.300 0.041 0.000 2.425 156 C HA -0.147 4.317 4.460 0.005 0.000 0.277 156 C C 2.680 177.634 174.990 -0.061 0.000 1.280 156 C CA 0.649 59.712 59.018 0.074 0.000 1.744 156 C CB -0.964 26.846 27.740 0.117 0.000 1.989 156 C HN 0.499 nan 8.230 nan 0.000 0.491 157 E N 0.295 120.456 120.200 -0.064 0.000 2.152 157 E HA -0.151 4.203 4.350 0.005 0.000 0.192 157 E C 1.400 177.959 176.600 -0.068 0.000 0.983 157 E CA 1.022 57.372 56.400 -0.085 0.000 0.818 157 E CB -0.035 29.627 29.700 -0.064 0.000 0.758 157 E HN 0.611 nan 8.360 nan 0.000 0.467 158 D N -0.642 119.731 120.400 -0.044 0.000 2.240 158 D HA 0.037 4.681 4.640 0.005 0.000 0.206 158 D C 0.535 176.822 176.300 -0.021 0.000 0.963 158 D CA 0.712 54.692 54.000 -0.034 0.000 0.863 158 D CB 0.480 41.262 40.800 -0.030 0.000 0.973 158 D HN -0.101 nan 8.370 nan 0.000 0.501 159 S N -0.063 115.635 115.700 -0.003 0.000 2.835 159 S HA 0.446 4.920 4.470 0.005 0.000 0.248 159 S C 1.202 175.840 174.600 0.064 0.000 1.070 159 S CA -0.132 58.083 58.200 0.024 0.000 1.090 159 S CB 1.209 64.428 63.200 0.032 0.000 0.978 159 S HN 0.211 nan 8.310 nan 0.000 0.510 160 A N 2.942 125.775 122.820 0.022 0.000 1.883 160 A HA -0.183 4.141 4.320 0.005 0.000 0.217 160 A C 2.230 179.916 177.584 0.171 0.000 1.186 160 A CA 1.753 53.823 52.037 0.054 0.000 0.624 160 A CB -0.365 18.483 19.000 -0.254 0.000 0.822 160 A HN 0.597 nan 8.150 nan 0.000 0.444 161 E N 0.201 120.446 120.200 0.075 0.000 2.208 161 E HA -0.103 4.250 4.350 0.005 0.000 0.193 161 E C 1.828 178.472 176.600 0.074 0.000 0.988 161 E CA 1.138 57.584 56.400 0.076 0.000 0.828 161 E CB -0.551 29.171 29.700 0.037 0.000 0.763 161 E HN 0.686 nan 8.360 nan 0.000 0.478 162 I N 0.887 121.497 120.570 0.068 0.000 2.439 162 I HA -0.172 4.001 4.170 0.005 0.000 0.251 162 I C 2.368 178.524 176.117 0.065 0.000 1.139 162 I CA 0.719 62.053 61.300 0.056 0.000 1.438 162 I CB -0.124 37.903 38.000 0.045 0.000 1.085 162 I HN 0.004 nan 8.210 nan 0.000 0.427 163 L N -0.217 121.066 121.223 0.101 0.000 2.341 163 L HA -0.072 4.271 4.340 0.005 0.000 0.214 163 L C 1.719 178.620 176.870 0.052 0.000 1.115 163 L CA 0.702 55.592 54.840 0.084 0.000 0.820 163 L CB -0.338 41.804 42.059 0.138 0.000 0.944 163 L HN 0.151 nan 8.230 nan 0.000 0.452 164 D N -0.798 119.657 120.400 0.093 0.000 2.354 164 D HA -0.003 4.641 4.640 0.005 0.000 0.209 164 D C 1.230 177.552 176.300 0.037 0.000 1.015 164 D CA 0.163 54.199 54.000 0.060 0.000 0.867 164 D CB 0.389 41.263 40.800 0.123 0.000 0.933 164 D HN 0.014 nan 8.370 nan 0.000 0.520 165 S N -0.573 115.151 115.700 0.040 0.000 2.626 165 S HA 0.042 4.515 4.470 0.005 0.000 0.257 165 S C 0.871 175.481 174.600 0.016 0.000 1.288 165 S CA -0.354 57.863 58.200 0.028 0.000 0.980 165 S CB 0.641 63.860 63.200 0.032 0.000 0.975 165 S HN 0.076 nan 8.310 nan 0.000 0.577 166 D N 0.553 120.961 120.400 0.014 0.000 2.348 166 D HA -0.026 4.617 4.640 0.005 0.000 0.211 166 D C 1.876 178.183 176.300 0.012 0.000 0.998 166 D CA 0.756 54.762 54.000 0.009 0.000 0.873 166 D CB -0.099 40.706 40.800 0.009 0.000 0.925 166 D HN 0.441 nan 8.370 nan 0.000 0.524 167 V N -0.097 119.828 119.914 0.018 0.000 2.688 167 V HA -0.157 3.966 4.120 0.005 0.000 0.256 167 V C 1.601 177.710 176.094 0.024 0.000 1.084 167 V CA 1.274 63.587 62.300 0.023 0.000 1.103 167 V CB -0.504 31.337 31.823 0.029 0.000 0.688 167 V HN 0.109 nan 8.190 nan 0.000 0.480 168 L N 0.095 121.329 121.223 0.018 0.000 3.429 168 L HA 0.469 4.812 4.340 0.005 0.000 0.311 168 L C -0.040 176.831 176.870 0.002 0.000 1.274 168 L CA 0.604 55.454 54.840 0.016 0.000 1.037 168 L CB -0.134 41.936 42.059 0.018 0.000 1.433 168 L HN 0.594 nan 8.230 nan 0.000 0.614 169 D N 0.675 121.074 120.400 -0.001 0.000 4.475 169 D HA -0.193 4.451 4.640 0.005 0.000 0.289 169 D C -0.587 175.700 176.300 -0.021 0.000 2.170 169 D CA 0.118 54.111 54.000 -0.012 0.000 1.245 169 D CB -0.009 40.781 40.800 -0.017 0.000 0.984 169 D HN 0.304 nan 8.370 nan 0.000 1.179 170 R N 0.756 121.235 120.500 -0.035 0.000 2.664 170 R HA 0.339 4.683 4.340 0.005 0.000 0.281 170 R C -1.454 174.798 176.300 -0.080 0.000 1.383 170 R CA -1.067 55.001 56.100 -0.052 0.000 1.563 170 R CB 1.146 31.417 30.300 -0.048 0.000 1.131 170 R HN 0.166 nan 8.270 nan 0.000 0.599 171 P HA -0.060 nan 4.420 nan 0.000 0.241 171 P C 0.724 177.912 177.300 -0.188 0.000 1.191 171 P CA 0.598 63.625 63.100 -0.121 0.000 0.771 171 P CB 0.363 32.001 31.700 -0.103 0.000 0.929 172 L N -0.591 120.504 121.223 -0.213 0.000 2.275 172 L HA -0.103 4.240 4.340 0.005 0.000 0.215 172 L C 1.910 178.623 176.870 -0.261 0.000 1.119 172 L CA 1.021 55.671 54.840 -0.317 0.000 0.790 172 L CB -1.138 40.687 42.059 -0.390 0.000 0.919 172 L HN -0.013 nan 8.230 nan 0.000 0.443 173 N N 0.078 118.674 118.700 -0.172 0.000 2.205 173 N HA -0.219 4.524 4.740 0.005 0.000 0.186 173 N C 1.574 177.006 175.510 -0.129 0.000 1.015 173 N CA 1.241 54.221 53.050 -0.117 0.000 0.862 173 N CB 0.060 38.498 38.487 -0.082 0.000 0.986 173 N HN 0.211 nan 8.380 nan 0.000 0.429 174 I N -0.828 119.632 120.570 -0.184 0.000 3.939 174 I HA 0.191 4.364 4.170 0.005 0.000 0.313 174 I C 1.349 177.265 176.117 -0.335 0.000 1.274 174 I CA 0.397 61.576 61.300 -0.202 0.000 1.301 174 I CB 0.239 38.147 38.000 -0.153 0.000 1.105 174 I HN 0.057 nan 8.210 nan 0.000 0.427 175 M N -0.591 118.736 119.600 -0.456 0.000 2.236 175 M HA -0.069 4.414 4.480 0.005 0.000 0.266 175 M C 1.881 177.563 176.300 -1.030 0.000 1.070 175 M CA 1.179 55.977 55.300 -0.837 0.000 1.137 175 M CB -0.126 31.997 32.600 -0.794 0.000 1.378 175 M HN 0.084 nan 8.290 nan 0.000 0.426 176 I N 1.059 121.261 120.570 -0.614 0.000 2.127 176 I HA -0.181 3.992 4.170 0.005 0.000 0.241 176 I C -0.471 175.366 176.117 -0.467 0.000 1.075 176 I CA 1.818 62.853 61.300 -0.443 0.000 1.334 176 I CB -2.588 35.216 38.000 -0.327 0.000 1.040 176 I HN 0.136 nan 8.210 nan 0.000 0.405 177 P HA -0.167 nan 4.420 nan 0.000 0.220 177 P C 1.660 178.798 177.300 -0.271 0.000 1.148 177 P CA 1.371 64.134 63.100 -0.562 0.000 0.803 177 P CB -0.032 31.408 31.700 -0.434 0.000 0.782 178 K N -0.484 119.755 120.400 -0.269 0.000 2.001 178 K HA -0.069 4.255 4.320 0.005 0.000 0.208 178 K C 2.087 178.811 176.600 0.206 0.000 1.048 178 K CA 1.182 57.411 56.287 -0.097 0.000 0.932 178 K CB -0.846 31.499 32.500 -0.258 0.000 0.715 178 K HN 0.052 nan 8.250 nan 0.000 0.437 179 F N 1.602 121.638 119.950 0.143 0.000 2.126 179 F HA -0.123 4.406 4.527 0.005 0.000 0.299 179 F C 2.392 178.411 175.800 0.365 0.000 1.096 179 F CA 0.672 58.888 58.000 0.360 0.000 1.255 179 F CB -1.194 37.986 39.000 0.300 0.000 0.997 179 F HN -0.050 nan 8.300 nan 0.000 0.479 180 L N -0.432 120.894 121.223 0.171 0.000 2.081 180 L HA -0.285 4.058 4.340 0.005 0.000 0.212 180 L C 2.485 179.354 176.870 -0.003 0.000 1.080 180 L CA 1.376 56.077 54.840 -0.232 0.000 0.754 180 L CB -0.654 41.201 42.059 -0.340 0.000 0.893 180 L HN 0.252 nan 8.230 nan 0.000 0.433 181 Q N -0.948 118.929 119.800 0.129 0.000 2.124 181 Q HA -0.181 4.163 4.340 0.005 0.000 0.202 181 Q C 1.903 177.991 176.000 0.147 0.000 0.977 181 Q CA 1.431 57.279 55.803 0.074 0.000 0.850 181 Q CB -0.071 28.645 28.738 -0.038 0.000 0.901 181 Q HN 0.431 nan 8.270 nan 0.000 0.429 182 F N -0.953 119.225 119.950 0.380 0.000 2.802 182 F HA 0.012 4.542 4.527 0.005 0.000 0.300 182 F C 1.215 177.282 175.800 0.444 0.000 1.168 182 F CA 0.335 58.603 58.000 0.445 0.000 1.433 182 F CB -0.123 39.225 39.000 0.581 0.000 1.115 182 F HN 0.045 nan 8.300 nan 0.000 0.582 183 F N 0.419 120.545 119.950 0.293 0.000 2.307 183 F HA -0.193 4.337 4.527 0.005 0.000 0.301 183 F C 1.863 177.751 175.800 0.147 0.000 1.076 183 F CA 1.038 59.152 58.000 0.191 0.000 1.383 183 F CB -0.187 38.913 39.000 0.166 0.000 1.055 183 F HN -0.104 nan 8.300 nan 0.000 0.526 184 K N -1.373 119.213 120.400 0.310 0.000 2.358 184 K HA 0.033 4.357 4.320 0.005 0.000 0.200 184 K C 0.015 176.705 176.600 0.150 0.000 1.030 184 K CA -0.204 56.188 56.287 0.176 0.000 1.097 184 K CB -0.012 32.551 32.500 0.106 0.000 0.862 184 K HN 0.140 nan 8.250 nan 0.000 0.534 185 H N 0.755 119.907 119.070 0.137 0.000 2.948 185 H HA -0.062 4.498 4.556 0.005 0.000 0.351 185 H C 1.414 176.805 175.328 0.106 0.000 1.079 185 H CA 0.687 56.824 56.048 0.148 0.000 1.407 185 H CB 0.957 30.900 29.762 0.302 0.000 1.373 185 H HN 0.077 nan 8.280 nan 0.000 0.605 186 S N 1.799 117.425 115.700 -0.123 0.000 2.481 186 S HA -0.077 4.397 4.470 0.005 0.000 0.231 186 S C 1.043 175.704 174.600 0.103 0.000 0.996 186 S CA 0.254 58.441 58.200 -0.021 0.000 0.942 186 S CB 0.038 63.171 63.200 -0.111 0.000 0.768 186 S HN 0.471 nan 8.310 nan 0.000 0.520 187 S N 2.647 118.550 115.700 0.339 0.000 2.537 187 S HA 0.397 4.871 4.470 0.005 0.000 0.275 187 S C -1.374 173.328 174.600 0.169 0.000 1.272 187 S CA -1.586 56.763 58.200 0.247 0.000 1.050 187 S CB 1.260 64.671 63.200 0.352 0.000 0.961 187 S HN 0.166 nan 8.310 nan 0.000 0.496 188 P HA -0.024 nan 4.420 nan 0.000 0.218 188 P C 1.083 178.360 177.300 -0.039 0.000 1.152 188 P CA 0.905 64.008 63.100 0.006 0.000 0.826 188 P CB 0.140 31.830 31.700 -0.016 0.000 0.790 189 K N -0.500 119.897 120.400 -0.005 0.000 2.097 189 K HA -0.084 4.239 4.320 0.005 0.000 0.206 189 K C 2.096 178.610 176.600 -0.144 0.000 1.049 189 K CA 1.104 57.346 56.287 -0.075 0.000 0.933 189 K CB -0.336 32.206 32.500 0.070 0.000 0.717 189 K HN -0.036 nan 8.250 nan 0.000 0.442 190 I N 0.885 121.455 120.570 -0.001 0.000 2.233 190 I HA -0.192 3.981 4.170 0.005 0.000 0.243 190 I C 2.158 178.128 176.117 -0.245 0.000 1.093 190 I CA 1.280 62.528 61.300 -0.087 0.000 1.380 190 I CB -0.857 37.055 38.000 -0.146 0.000 1.067 190 I HN 0.215 nan 8.210 nan 0.000 0.413 191 R N 0.401 120.835 120.500 -0.109 0.000 2.091 191 R HA -0.186 4.157 4.340 0.005 0.000 0.238 191 R C 2.510 178.614 176.300 -0.327 0.000 1.136 191 R CA 1.814 57.818 56.100 -0.160 0.000 0.959 191 R CB -0.520 29.727 30.300 -0.088 0.000 0.856 191 R HN 0.312 nan 8.270 nan 0.000 0.437 192 S N 0.214 115.727 115.700 -0.310 0.000 2.359 192 S HA -0.242 4.231 4.470 0.005 0.000 0.222 192 S C 1.716 176.070 174.600 -0.411 0.000 1.038 192 S CA 1.679 59.670 58.200 -0.348 0.000 1.051 192 S CB -0.305 62.683 63.200 -0.353 0.000 0.944 192 S HN 0.480 nan 8.310 nan 0.000 0.433 193 H N 0.698 119.478 119.070 -0.483 0.000 2.319 193 H HA -0.051 4.509 4.556 0.005 0.000 0.297 193 H C 2.499 177.356 175.328 -0.784 0.000 1.097 193 H CA 1.589 57.247 56.048 -0.651 0.000 1.285 193 H CB -0.381 28.826 29.762 -0.924 0.000 1.368 193 H HN 0.547 nan 8.280 nan 0.000 0.495 194 A N 0.248 122.577 122.820 -0.817 0.000 1.877 194 A HA -0.158 4.165 4.320 0.005 0.000 0.216 194 A C 2.565 180.140 177.584 -0.016 0.000 1.186 194 A CA 1.695 53.496 52.037 -0.393 0.000 0.620 194 A CB -1.008 17.997 19.000 0.009 0.000 0.822 194 A HN 0.341 nan 8.150 nan 0.000 0.443 195 V N -0.264 119.493 119.914 -0.262 0.000 2.358 195 V HA -0.085 4.038 4.120 0.005 0.000 0.246 195 V C 2.707 178.817 176.094 0.026 0.000 1.047 195 V CA 2.241 64.475 62.300 -0.110 0.000 1.035 195 V CB -0.869 30.728 31.823 -0.376 0.000 0.658 195 V HN 0.614 nan 8.190 nan 0.000 0.452 196 A N -0.722 122.044 122.820 -0.089 0.000 1.917 196 A HA -0.295 4.028 4.320 0.005 0.000 0.219 196 A C 2.372 179.930 177.584 -0.044 0.000 1.182 196 A CA 2.519 54.516 52.037 -0.067 0.000 0.633 196 A CB -1.457 17.480 19.000 -0.106 0.000 0.819 196 A HN 0.695 nan 8.150 nan 0.000 0.448 197 C N -1.522 117.728 119.300 -0.083 0.000 2.442 197 C HA -0.080 4.383 4.460 0.005 0.000 0.279 197 C C 2.744 177.856 174.990 0.204 0.000 1.237 197 C CA 1.115 60.086 59.018 -0.078 0.000 1.722 197 C CB -1.325 26.060 27.740 -0.592 0.000 2.056 197 C HN 0.476 nan 8.230 nan 0.000 0.469 198 V N 1.852 121.919 119.914 0.255 0.000 2.392 198 V HA -0.218 3.905 4.120 0.005 0.000 0.249 198 V C 2.014 178.218 176.094 0.184 0.000 1.059 198 V CA 2.135 64.605 62.300 0.282 0.000 1.051 198 V CB -0.839 31.061 31.823 0.128 0.000 0.658 198 V HN 0.522 nan 8.190 nan 0.000 0.455 199 N N -0.011 118.776 118.700 0.146 0.000 2.430 199 N HA -0.149 4.594 4.740 0.005 0.000 0.186 199 N C 1.676 177.163 175.510 -0.039 0.000 1.032 199 N CA 0.806 53.915 53.050 0.099 0.000 0.893 199 N CB -0.249 38.287 38.487 0.082 0.000 0.957 199 N HN 0.470 nan 8.380 nan 0.000 0.442 200 Q N -1.070 118.604 119.800 -0.210 0.000 2.415 200 Q HA 0.109 4.452 4.340 0.005 0.000 0.206 200 Q C -0.002 175.448 176.000 -0.918 0.000 0.946 200 Q CA 0.376 55.811 55.803 -0.615 0.000 0.951 200 Q CB 0.144 28.359 28.738 -0.872 0.000 1.026 200 Q HN 0.446 nan 8.270 nan 0.000 0.510 201 F N -2.117 117.835 119.950 0.004 0.000 2.838 201 F HA 0.247 4.776 4.527 0.004 0.000 0.329 201 F C 1.421 177.217 175.800 -0.007 0.000 1.116 201 F CA -0.354 57.642 58.000 -0.006 0.000 1.155 201 F CB 0.134 39.125 39.000 -0.015 0.000 1.106 201 F HN -0.086 nan 8.300 nan 0.000 0.538 202 I N 0.088 120.722 120.570 0.107 0.000 2.163 202 I HA -0.236 3.938 4.170 0.005 0.000 0.240 202 I C 2.242 178.409 176.117 0.083 0.000 1.081 202 I CA 1.037 62.406 61.300 0.115 0.000 1.353 202 I CB -0.198 37.893 38.000 0.153 0.000 1.054 202 I HN 0.026 nan 8.210 nan 0.000 0.407 203 I N 0.948 121.544 120.570 0.044 0.000 2.142 203 I HA -0.234 3.939 4.170 0.005 0.000 0.240 203 I C 2.634 178.769 176.117 0.030 0.000 1.078 203 I CA 1.840 63.155 61.300 0.025 0.000 1.343 203 I CB -1.427 36.570 38.000 -0.005 0.000 1.046 203 I HN 0.309 nan 8.210 nan 0.000 0.405 204 S N 1.734 117.455 115.700 0.036 0.000 2.653 204 S HA -0.120 4.354 4.470 0.005 0.000 0.233 204 S C 0.934 175.572 174.600 0.063 0.000 0.970 204 S CA -0.138 58.092 58.200 0.049 0.000 0.947 204 S CB -0.897 62.343 63.200 0.067 0.000 0.771 204 S HN 0.575 nan 8.310 nan 0.000 0.538 205 R N 0.986 121.526 120.500 0.066 0.000 3.118 205 R HA -0.171 4.173 4.340 0.005 0.000 0.238 205 R C -0.215 176.123 176.300 0.063 0.000 0.884 205 R CA 0.856 56.995 56.100 0.065 0.000 0.601 205 R CB -3.111 27.217 30.300 0.046 0.000 1.009 205 R HN 0.560 nan 8.270 nan 0.000 0.478 206 T N -2.157 112.452 114.554 0.091 0.000 2.831 206 T HA -0.030 4.323 4.350 0.005 0.000 0.291 206 T C 1.316 176.029 174.700 0.022 0.000 0.981 206 T CA -0.039 62.102 62.100 0.068 0.000 1.174 206 T CB 1.384 70.312 68.868 0.100 0.000 0.929 206 T HN 0.508 nan 8.240 nan 0.000 0.532 207 Q N 2.610 122.414 119.800 0.006 0.000 2.152 207 Q HA -0.215 4.128 4.340 0.005 0.000 0.206 207 Q C 2.634 178.624 176.000 -0.016 0.000 0.985 207 Q CA 1.697 57.496 55.803 -0.006 0.000 0.863 207 Q CB -0.522 28.209 28.738 -0.012 0.000 0.904 207 Q HN 1.023 nan 8.270 nan 0.000 0.422 208 A N 0.500 123.300 122.820 -0.034 0.000 2.019 208 A HA -0.160 4.163 4.320 0.005 0.000 0.219 208 A C 1.933 179.535 177.584 0.031 0.000 1.164 208 A CA 1.122 53.142 52.037 -0.029 0.000 0.644 208 A CB -0.277 18.661 19.000 -0.105 0.000 0.805 208 A HN 0.341 nan 8.150 nan 0.000 0.449 209 L N -1.710 119.508 121.223 -0.008 0.000 2.298 209 L HA 0.153 4.497 4.340 0.005 0.000 0.209 209 L C 1.962 178.860 176.870 0.047 0.000 1.084 209 L CA 1.132 55.968 54.840 -0.007 0.000 0.816 209 L CB -0.335 41.680 42.059 -0.074 0.000 0.967 209 L HN 0.210 nan 8.230 nan 0.000 0.460 210 M N -0.203 119.417 119.600 0.033 0.000 2.460 210 M HA -0.036 4.447 4.480 0.005 0.000 0.263 210 M C 2.054 178.357 176.300 0.005 0.000 1.071 210 M CA 1.311 56.632 55.300 0.034 0.000 1.096 210 M CB -0.972 31.642 32.600 0.024 0.000 1.408 210 M HN 0.479 nan 8.290 nan 0.000 0.463 211 L N -2.529 118.671 121.223 -0.039 0.000 2.477 211 L HA 0.070 4.413 4.340 0.005 0.000 0.220 211 L C 1.257 178.005 176.870 -0.203 0.000 1.106 211 L CA 1.012 55.775 54.840 -0.129 0.000 0.851 211 L CB -0.527 41.420 42.059 -0.186 0.000 0.994 211 L HN 0.163 nan 8.230 nan 0.000 0.462 212 H N -0.736 118.319 119.070 -0.025 0.000 2.529 212 H HA 0.128 4.688 4.556 0.005 0.000 0.277 212 H C 1.737 177.086 175.328 0.034 0.000 1.004 212 H CA 0.234 56.270 56.048 -0.019 0.000 1.167 212 H CB 0.612 30.339 29.762 -0.058 0.000 1.445 212 H HN 0.272 nan 8.280 nan 0.000 0.554 213 I N 1.062 121.713 120.570 0.135 0.000 2.145 213 I HA -0.339 3.835 4.170 0.005 0.000 0.244 213 I C 1.438 177.621 176.117 0.109 0.000 1.075 213 I CA 1.805 63.205 61.300 0.167 0.000 1.332 213 I CB -0.033 38.030 38.000 0.104 0.000 1.033 213 I HN 0.281 nan 8.210 nan 0.000 0.410 214 D N -0.397 120.027 120.400 0.040 0.000 2.123 214 D HA -0.123 4.521 4.640 0.005 0.000 0.200 214 D C 2.404 178.679 176.300 -0.042 0.000 0.976 214 D CA 1.692 55.678 54.000 -0.023 0.000 0.831 214 D CB -0.392 40.400 40.800 -0.013 0.000 0.974 214 D HN 0.536 nan 8.370 nan 0.000 0.469 215 S N -0.125 115.587 115.700 0.020 0.000 2.481 215 S HA -0.111 4.363 4.470 0.005 0.000 0.231 215 S C 1.943 176.553 174.600 0.018 0.000 0.996 215 S CA 0.090 58.299 58.200 0.015 0.000 0.942 215 S CB -0.736 62.497 63.200 0.054 0.000 0.768 215 S HN 0.357 nan 8.310 nan 0.000 0.520 216 F N 1.715 121.593 119.950 -0.120 0.000 2.128 216 F HA 0.112 4.641 4.527 0.004 0.000 0.295 216 F C 1.943 177.653 175.800 -0.149 0.000 1.100 216 F CA 1.044 58.948 58.000 -0.160 0.000 1.260 216 F CB -0.112 38.836 39.000 -0.086 0.000 1.009 216 F HN 0.134 nan 8.300 nan 0.000 0.476 217 I N 0.750 121.045 120.570 -0.459 0.000 2.226 217 I HA -0.294 3.879 4.170 0.005 0.000 0.245 217 I C 2.454 178.105 176.117 -0.777 0.000 1.100 217 I CA 1.768 62.600 61.300 -0.780 0.000 1.374 217 I CB -0.632 36.939 38.000 -0.716 0.000 1.057 217 I HN 0.301 nan 8.210 nan 0.000 0.413 218 E N 1.191 121.130 120.200 -0.436 0.000 2.038 218 E HA -0.284 4.069 4.350 0.005 0.000 0.195 218 E C 1.936 178.495 176.600 -0.068 0.000 1.000 218 E CA 1.913 58.179 56.400 -0.224 0.000 0.803 218 E CB 0.008 29.646 29.700 -0.102 0.000 0.750 218 E HN 0.408 nan 8.360 nan 0.000 0.448 219 N N 0.322 119.007 118.700 -0.024 0.000 2.104 219 N HA -0.169 4.574 4.740 0.005 0.000 0.190 219 N C 1.702 177.377 175.510 0.273 0.000 1.024 219 N CA 0.777 53.915 53.050 0.147 0.000 0.853 219 N CB -0.381 38.170 38.487 0.106 0.000 1.008 219 N HN 0.117 nan 8.380 nan 0.000 0.424 220 L N -0.204 121.128 121.223 0.182 0.000 2.012 220 L HA -0.082 4.262 4.340 0.005 0.000 0.210 220 L C 1.772 178.725 176.870 0.138 0.000 1.073 220 L CA 1.437 56.360 54.840 0.138 0.000 0.748 220 L CB -0.683 41.292 42.059 -0.140 0.000 0.891 220 L HN 0.080 nan 8.230 nan 0.000 0.431 221 F N -0.273 119.585 119.950 -0.153 0.000 2.161 221 F HA -0.172 4.358 4.527 0.005 0.000 0.300 221 F C 2.511 178.219 175.800 -0.152 0.000 1.089 221 F CA 0.877 58.751 58.000 -0.211 0.000 1.282 221 F CB -1.427 37.433 39.000 -0.234 0.000 1.010 221 F HN 0.174 nan 8.300 nan 0.000 0.485 222 A N -0.728 122.168 122.820 0.127 0.000 2.066 222 A HA -0.049 4.274 4.320 0.005 0.000 0.218 222 A C 2.224 179.831 177.584 0.040 0.000 1.157 222 A CA 0.916 52.992 52.037 0.066 0.000 0.670 222 A CB -0.753 18.297 19.000 0.084 0.000 0.804 222 A HN 0.390 nan 8.150 nan 0.000 0.453 223 L N -1.389 119.862 121.223 0.046 0.000 2.529 223 L HA 0.069 4.412 4.340 0.005 0.000 0.223 223 L C 2.789 179.647 176.870 -0.021 0.000 1.113 223 L CA 0.511 55.357 54.840 0.010 0.000 0.861 223 L CB -0.261 41.792 42.059 -0.009 0.000 1.012 223 L HN 0.418 nan 8.230 nan 0.000 0.461 224 A N 0.563 123.339 122.820 -0.075 0.000 1.927 224 A HA -0.203 4.120 4.320 0.005 0.000 0.220 224 A C 1.973 179.580 177.584 0.039 0.000 1.185 224 A CA 1.983 53.921 52.037 -0.165 0.000 0.639 224 A CB -0.936 17.694 19.000 -0.616 0.000 0.820 224 A HN 0.428 nan 8.150 nan 0.000 0.451 225 G N -0.762 108.049 108.800 0.019 0.000 3.518 225 G HA2 0.235 4.199 3.960 0.005 0.000 0.273 225 G HA3 0.235 4.199 3.960 0.005 0.000 0.273 225 G C -0.064 174.858 174.900 0.037 0.000 1.199 225 G CA 0.068 45.212 45.100 0.072 0.000 0.899 225 G HN 0.457 nan 8.290 nan 0.000 0.533 226 D N 1.223 121.638 120.400 0.025 0.000 2.424 226 D HA -0.027 4.616 4.640 0.005 0.000 0.244 226 D C 1.523 177.824 176.300 0.002 0.000 1.134 226 D CA 0.017 54.020 54.000 0.005 0.000 0.881 226 D CB 1.062 41.854 40.800 -0.013 0.000 1.191 226 D HN 0.560 nan 8.370 nan 0.000 0.445 227 E N 2.300 122.497 120.200 -0.005 0.000 2.358 227 E HA -0.146 4.207 4.350 0.005 0.000 0.195 227 E C 0.235 176.823 176.600 -0.019 0.000 1.010 227 E CA 0.089 56.483 56.400 -0.010 0.000 0.856 227 E CB 0.139 29.833 29.700 -0.010 0.000 0.795 227 E HN 0.220 nan 8.360 nan 0.000 0.504 228 E N 2.319 122.504 120.200 -0.024 0.000 2.217 228 E HA 0.076 4.429 4.350 0.005 0.000 0.279 228 E C -1.898 174.678 176.600 -0.041 0.000 1.068 228 E CA -2.689 53.690 56.400 -0.035 0.000 0.882 228 E CB 1.275 30.950 29.700 -0.043 0.000 1.039 228 E HN -0.172 nan 8.360 nan 0.000 0.418 229 P HA -0.256 nan 4.420 nan 0.000 0.214 229 P C 0.847 178.116 177.300 -0.052 0.000 1.172 229 P CA 1.440 64.514 63.100 -0.042 0.000 0.925 229 P CB 0.186 31.862 31.700 -0.041 0.000 0.793 230 E N -0.653 119.507 120.200 -0.067 0.000 2.114 230 E HA -0.160 4.194 4.350 0.005 0.000 0.199 230 E C 1.995 178.538 176.600 -0.095 0.000 1.008 230 E CA 1.263 57.610 56.400 -0.088 0.000 0.810 230 E CB -0.810 28.818 29.700 -0.120 0.000 0.739 230 E HN 0.066 nan 8.360 nan 0.000 0.456 231 V N 1.019 120.875 119.914 -0.096 0.000 2.244 231 V HA -0.239 3.885 4.120 0.005 0.000 0.244 231 V C 2.502 178.561 176.094 -0.058 0.000 1.042 231 V CA 1.693 63.932 62.300 -0.102 0.000 1.006 231 V CB -0.517 31.245 31.823 -0.102 0.000 0.641 231 V HN 0.200 nan 8.190 nan 0.000 0.446 232 R N 0.181 120.664 120.500 -0.028 0.000 2.133 232 R HA -0.289 4.054 4.340 0.005 0.000 0.245 232 R C 2.466 178.769 176.300 0.004 0.000 1.137 232 R CA 2.306 58.413 56.100 0.011 0.000 0.947 232 R CB -0.586 29.714 30.300 -0.000 0.000 0.865 232 R HN 0.504 nan 8.270 nan 0.000 0.437 233 K N 0.501 120.888 120.400 -0.022 0.000 2.034 233 K HA -0.202 4.121 4.320 0.005 0.000 0.214 233 K C 1.661 178.255 176.600 -0.010 0.000 1.051 233 K CA 1.897 58.172 56.287 -0.021 0.000 0.931 233 K CB -0.134 32.346 32.500 -0.033 0.000 0.715 233 K HN 0.152 nan 8.250 nan 0.000 0.446 234 N N 0.401 119.084 118.700 -0.029 0.000 2.331 234 N HA -0.099 4.644 4.740 0.005 0.000 0.180 234 N C 1.809 177.330 175.510 0.018 0.000 1.019 234 N CA 0.881 53.918 53.050 -0.021 0.000 0.881 234 N CB -0.062 38.382 38.487 -0.071 0.000 0.972 234 N HN 0.054 nan 8.380 nan 0.000 0.435 235 V N 0.627 120.550 119.914 0.016 0.000 2.358 235 V HA -0.215 3.909 4.120 0.005 0.000 0.246 235 V C 2.462 178.605 176.094 0.081 0.000 1.047 235 V CA 1.108 63.437 62.300 0.048 0.000 1.035 235 V CB -0.556 31.293 31.823 0.044 0.000 0.658 235 V HN 0.329 nan 8.190 nan 0.000 0.452 236 C N 0.070 119.416 119.300 0.078 0.000 2.429 236 C HA -0.142 4.321 4.460 0.005 0.000 0.277 236 C C 2.887 177.921 174.990 0.073 0.000 1.262 236 C CA 0.873 59.931 59.018 0.067 0.000 1.733 236 C CB -1.202 26.548 27.740 0.016 0.000 2.010 236 C HN 0.512 nan 8.230 nan 0.000 0.483 237 R N 1.265 121.803 120.500 0.063 0.000 2.081 237 R HA -0.112 4.231 4.340 0.005 0.000 0.235 237 R C 2.392 178.750 176.300 0.098 0.000 1.131 237 R CA 1.675 57.816 56.100 0.068 0.000 0.960 237 R CB -0.594 29.734 30.300 0.047 0.000 0.856 237 R HN 0.569 nan 8.270 nan 0.000 0.436 238 A N 1.541 124.435 122.820 0.123 0.000 1.855 238 A HA -0.100 4.224 4.320 0.005 0.000 0.215 238 A C 2.259 179.929 177.584 0.143 0.000 1.191 238 A CA 1.023 53.167 52.037 0.178 0.000 0.613 238 A CB -0.576 18.568 19.000 0.240 0.000 0.829 238 A HN 0.152 nan 8.150 nan 0.000 0.442 239 L N -0.374 120.920 121.223 0.119 0.000 2.042 239 L HA -0.193 4.150 4.340 0.005 0.000 0.210 239 L C 2.565 179.567 176.870 0.220 0.000 1.076 239 L CA 1.245 56.176 54.840 0.152 0.000 0.749 239 L CB -0.613 41.533 42.059 0.144 0.000 0.893 239 L HN 0.262 nan 8.230 nan 0.000 0.432 240 V N -0.405 119.640 119.914 0.218 0.000 2.295 240 V HA -0.339 3.784 4.120 0.005 0.000 0.246 240 V C 2.465 178.591 176.094 0.053 0.000 1.049 240 V CA 2.029 64.421 62.300 0.154 0.000 1.024 240 V CB -0.415 31.483 31.823 0.127 0.000 0.648 240 V HN 0.400 nan 8.190 nan 0.000 0.447 241 M N -1.099 118.545 119.600 0.073 0.000 2.159 241 M HA -0.155 4.329 4.480 0.005 0.000 0.263 241 M C 2.100 178.438 176.300 0.064 0.000 1.063 241 M CA 1.586 56.920 55.300 0.057 0.000 1.110 241 M CB -0.390 32.256 32.600 0.076 0.000 1.374 241 M HN 0.269 nan 8.290 nan 0.000 0.411 242 L N 0.255 121.536 121.223 0.096 0.000 2.362 242 L HA -0.099 4.244 4.340 0.005 0.000 0.219 242 L C 1.990 178.892 176.870 0.054 0.000 1.134 242 L CA 1.417 56.315 54.840 0.096 0.000 0.807 242 L CB -0.618 41.501 42.059 0.100 0.000 0.927 242 L HN 0.296 nan 8.230 nan 0.000 0.447 243 L N -1.248 119.988 121.223 0.021 0.000 2.141 243 L HA -0.202 4.141 4.340 0.005 0.000 0.209 243 L C 2.157 179.003 176.870 -0.039 0.000 1.094 243 L CA 1.152 55.968 54.840 -0.040 0.000 0.763 243 L CB -0.247 41.711 42.059 -0.169 0.000 0.908 243 L HN 0.361 nan 8.230 nan 0.000 0.437 244 E N -1.237 118.948 120.200 -0.024 0.000 2.250 244 E HA -0.067 4.286 4.350 0.005 0.000 0.192 244 E C 2.010 178.610 176.600 0.000 0.000 0.986 244 E CA 0.476 56.863 56.400 -0.021 0.000 0.849 244 E CB 0.446 30.132 29.700 -0.024 0.000 0.797 244 E HN 0.265 nan 8.360 nan 0.000 0.482 245 V N 0.428 120.354 119.914 0.020 0.000 2.602 245 V HA 0.070 4.194 4.120 0.005 0.000 0.235 245 V C 0.886 177.002 176.094 0.036 0.000 1.087 245 V CA 0.570 62.890 62.300 0.033 0.000 1.117 245 V CB 0.230 32.086 31.823 0.055 0.000 0.820 245 V HN 0.021 nan 8.190 nan 0.000 0.490 246 R N 0.589 121.118 120.500 0.048 0.000 2.860 246 R HA 0.390 4.733 4.340 0.005 0.000 0.282 246 R C 0.683 177.007 176.300 0.040 0.000 1.408 246 R CA -0.209 55.919 56.100 0.047 0.000 1.636 246 R CB 0.678 31.016 30.300 0.063 0.000 1.187 246 R HN 0.275 nan 8.270 nan 0.000 0.611 247 M N 1.237 120.854 119.600 0.027 0.000 2.419 247 M HA -0.101 4.382 4.480 0.005 0.000 0.264 247 M C 1.037 177.355 176.300 0.030 0.000 1.082 247 M CA 1.369 56.683 55.300 0.023 0.000 1.119 247 M CB -0.086 32.517 32.600 0.004 0.000 1.398 247 M HN 0.338 nan 8.290 nan 0.000 0.453 248 D N -0.220 120.197 120.400 0.028 0.000 2.117 248 D HA -0.211 4.432 4.640 0.005 0.000 0.197 248 D C 1.413 177.736 176.300 0.039 0.000 0.987 248 D CA 1.009 55.026 54.000 0.027 0.000 0.829 248 D CB -0.589 40.224 40.800 0.022 0.000 0.961 248 D HN 0.257 nan 8.370 nan 0.000 0.460 249 R N -0.473 120.055 120.500 0.047 0.000 2.313 249 R HA 0.159 4.502 4.340 0.005 0.000 0.199 249 R C 1.566 177.936 176.300 0.117 0.000 0.958 249 R CA -0.021 56.117 56.100 0.063 0.000 1.047 249 R CB -0.069 30.251 30.300 0.033 0.000 0.955 249 R HN 0.255 nan 8.270 nan 0.000 0.481 250 L N -0.546 120.744 121.223 0.111 0.000 2.470 250 L HA 0.157 4.500 4.340 0.005 0.000 0.219 250 L C 2.049 179.008 176.870 0.150 0.000 1.071 250 L CA 0.638 55.578 54.840 0.166 0.000 0.850 250 L CB -0.362 41.776 42.059 0.131 0.000 1.040 250 L HN 0.026 nan 8.230 nan 0.000 0.475 251 L N 0.415 121.686 121.223 0.079 0.000 2.013 251 L HA -0.213 4.130 4.340 0.005 0.000 0.212 251 L C -0.343 176.535 176.870 0.012 0.000 1.073 251 L CA 1.740 56.602 54.840 0.036 0.000 0.753 251 L CB -1.072 40.999 42.059 0.019 0.000 0.890 251 L HN 0.252 nan 8.230 nan 0.000 0.432 252 P HA -0.133 nan 4.420 nan 0.000 0.222 252 P C 0.771 177.936 177.300 -0.225 0.000 1.147 252 P CA 1.358 64.367 63.100 -0.153 0.000 0.790 252 P CB -0.022 31.517 31.700 -0.270 0.000 0.780 253 H N -2.780 116.358 119.070 0.114 0.000 2.652 253 H HA 0.265 4.824 4.556 0.005 0.000 0.274 253 H C 1.595 176.969 175.328 0.077 0.000 1.021 253 H CA -0.106 56.017 56.048 0.126 0.000 1.187 253 H CB 0.070 29.989 29.762 0.262 0.000 1.505 253 H HN 0.049 nan 8.280 nan 0.000 0.530 254 M N 0.859 120.528 119.600 0.115 0.000 2.110 254 M HA -0.213 4.270 4.480 0.005 0.000 0.257 254 M C 2.022 178.323 176.300 0.001 0.000 1.071 254 M CA 1.843 57.162 55.300 0.031 0.000 1.096 254 M CB -0.621 31.924 32.600 -0.091 0.000 1.300 254 M HN 0.245 nan 8.290 nan 0.000 0.411 255 H N -0.081 119.079 119.070 0.150 0.000 2.390 255 H HA -0.114 4.445 4.556 0.006 0.000 0.298 255 H C 1.893 177.287 175.328 0.110 0.000 1.106 255 H CA 1.792 57.945 56.048 0.175 0.000 1.297 255 H CB -0.780 29.119 29.762 0.228 0.000 1.375 255 H HN 0.477 nan 8.280 nan 0.000 0.509 256 N N 0.810 119.616 118.700 0.177 0.000 2.120 256 N HA -0.107 4.637 4.740 0.005 0.000 0.188 256 N C 2.109 177.607 175.510 -0.021 0.000 1.024 256 N CA 0.667 53.750 53.050 0.055 0.000 0.852 256 N CB -0.223 38.255 38.487 -0.014 0.000 1.003 256 N HN 0.325 nan 8.380 nan 0.000 0.424 257 I N 0.619 121.172 120.570 -0.029 0.000 2.142 257 I HA -0.169 4.004 4.170 0.005 0.000 0.240 257 I C 2.476 178.498 176.117 -0.157 0.000 1.078 257 I CA 0.953 62.199 61.300 -0.090 0.000 1.343 257 I CB -1.380 36.628 38.000 0.014 0.000 1.046 257 I HN 0.003 nan 8.210 nan 0.000 0.405 258 V N 1.038 120.903 119.914 -0.081 0.000 2.295 258 V HA -0.275 3.848 4.120 0.005 0.000 0.246 258 V C 2.488 178.604 176.094 0.037 0.000 1.049 258 V CA 2.383 64.655 62.300 -0.047 0.000 1.024 258 V CB -0.458 31.334 31.823 -0.052 0.000 0.648 258 V HN 0.356 nan 8.190 nan 0.000 0.447 259 E N -0.701 119.522 120.200 0.038 0.000 2.085 259 E HA -0.273 4.081 4.350 0.005 0.000 0.194 259 E C 1.991 178.633 176.600 0.070 0.000 0.994 259 E CA 2.151 58.611 56.400 0.099 0.000 0.801 259 E CB -0.644 29.137 29.700 0.135 0.000 0.743 259 E HN 0.874 nan 8.360 nan 0.000 0.453 260 Y N -0.450 119.792 120.300 -0.097 0.000 2.200 260 Y HA -0.204 4.349 4.550 0.005 0.000 0.290 260 Y C 1.843 177.652 175.900 -0.152 0.000 1.137 260 Y CA 1.555 59.572 58.100 -0.138 0.000 1.163 260 Y CB -0.003 38.333 38.460 -0.208 0.000 0.988 260 Y HN 0.065 nan 8.280 nan 0.000 0.518 261 M N -0.072 119.347 119.600 -0.301 0.000 2.229 261 M HA -0.140 4.343 4.480 0.005 0.000 0.264 261 M C 2.128 178.421 176.300 -0.013 0.000 1.063 261 M CA 1.281 56.321 55.300 -0.432 0.000 1.114 261 M CB -1.112 30.896 32.600 -0.986 0.000 1.387 261 M HN 0.413 nan 8.290 nan 0.000 0.420 262 L N -0.548 120.792 121.223 0.196 0.000 2.056 262 L HA -0.216 4.127 4.340 0.005 0.000 0.207 262 L C 2.593 179.467 176.870 0.007 0.000 1.078 262 L CA 1.227 56.176 54.840 0.182 0.000 0.749 262 L CB -0.588 41.535 42.059 0.107 0.000 0.901 262 L HN 0.374 nan 8.230 nan 0.000 0.433 263 Q N -0.327 119.423 119.800 -0.083 0.000 2.226 263 Q HA -0.224 4.119 4.340 0.005 0.000 0.204 263 Q C 2.111 177.997 176.000 -0.190 0.000 0.975 263 Q CA 1.208 56.934 55.803 -0.129 0.000 0.866 263 Q CB 0.208 28.858 28.738 -0.145 0.000 0.915 263 Q HN 0.165 nan 8.270 nan 0.000 0.440 264 R N -0.973 119.359 120.500 -0.279 0.000 2.223 264 R HA 0.070 4.414 4.340 0.005 0.000 0.198 264 R C 1.740 177.964 176.300 -0.128 0.000 0.984 264 R CA 1.075 56.997 56.100 -0.296 0.000 1.018 264 R CB -0.188 29.794 30.300 -0.530 0.000 0.945 264 R HN 0.137 nan 8.270 nan 0.000 0.479 265 T N 0.530 115.072 114.554 -0.021 0.000 2.995 265 T HA -0.050 4.303 4.350 0.005 0.000 0.269 265 T C 0.761 175.467 174.700 0.009 0.000 1.091 265 T CA 0.973 63.116 62.100 0.073 0.000 1.128 265 T CB -0.011 69.018 68.868 0.269 0.000 0.891 265 T HN 0.328 nan 8.240 nan 0.000 0.492 266 Q N 0.759 120.543 119.800 -0.026 0.000 2.175 266 Q HA 0.228 4.571 4.340 0.005 0.000 0.225 266 Q C -0.400 175.569 176.000 -0.051 0.000 0.837 266 Q CA -0.369 55.411 55.803 -0.039 0.000 1.032 266 Q CB 0.358 29.070 28.738 -0.042 0.000 1.137 266 Q HN 0.389 nan 8.270 nan 0.000 0.483 267 D N 1.935 122.298 120.400 -0.062 0.000 2.478 267 D HA -0.131 4.513 4.640 0.005 0.000 0.234 267 D C 1.374 177.644 176.300 -0.051 0.000 1.154 267 D CA 0.415 54.375 54.000 -0.067 0.000 0.874 267 D CB 0.901 41.654 40.800 -0.077 0.000 1.198 267 D HN 0.164 nan 8.370 nan 0.000 0.455 268 Q N 2.310 122.082 119.800 -0.046 0.000 2.488 268 Q HA -0.149 4.194 4.340 0.005 0.000 0.211 268 Q C -0.373 175.605 176.000 -0.036 0.000 0.967 268 Q CA 0.879 56.659 55.803 -0.038 0.000 0.926 268 Q CB 0.161 28.879 28.738 -0.033 0.000 0.992 268 Q HN 0.514 nan 8.270 nan 0.000 0.506 269 D N 0.909 121.286 120.400 -0.039 0.000 2.349 269 D HA 0.087 4.730 4.640 0.005 0.000 0.232 269 D C 0.023 176.302 176.300 -0.035 0.000 1.071 269 D CA -0.201 53.778 54.000 -0.035 0.000 0.832 269 D CB 1.211 41.990 40.800 -0.036 0.000 1.086 269 D HN 0.092 nan 8.370 nan 0.000 0.504 270 E N 2.540 122.720 120.200 -0.032 0.000 2.097 270 E HA -0.249 4.105 4.350 0.005 0.000 0.196 270 E C 1.259 177.842 176.600 -0.029 0.000 1.000 270 E CA 1.606 57.986 56.400 -0.032 0.000 0.804 270 E CB 0.133 29.815 29.700 -0.030 0.000 0.740 270 E HN 0.580 nan 8.360 nan 0.000 0.454 271 N N -0.041 118.645 118.700 -0.023 0.000 2.084 271 N HA -0.148 4.595 4.740 0.005 0.000 0.190 271 N C 1.915 177.416 175.510 -0.015 0.000 1.030 271 N CA 1.393 54.434 53.050 -0.015 0.000 0.849 271 N CB -0.111 38.367 38.487 -0.015 0.000 1.012 271 N HN -0.062 nan 8.380 nan 0.000 0.423 272 V N 1.480 121.378 119.914 -0.027 0.000 2.255 272 V HA -0.276 3.847 4.120 0.005 0.000 0.247 272 V C 2.469 178.541 176.094 -0.037 0.000 1.051 272 V CA 1.984 64.263 62.300 -0.035 0.000 1.018 272 V CB -1.221 30.572 31.823 -0.050 0.000 0.641 272 V HN 0.378 nan 8.190 nan 0.000 0.445 273 A N 0.201 122.999 122.820 -0.037 0.000 1.884 273 A HA -0.284 4.040 4.320 0.005 0.000 0.219 273 A C 2.230 179.807 177.584 -0.011 0.000 1.197 273 A CA 2.570 54.589 52.037 -0.029 0.000 0.637 273 A CB -0.733 18.246 19.000 -0.034 0.000 0.827 273 A HN 0.503 nan 8.150 nan 0.000 0.450 274 L N -0.609 120.604 121.223 -0.016 0.000 2.017 274 L HA -0.119 4.224 4.340 0.005 0.000 0.208 274 L C 2.184 179.079 176.870 0.042 0.000 1.073 274 L CA 2.413 57.247 54.840 -0.011 0.000 0.745 274 L CB -0.603 41.445 42.059 -0.019 0.000 0.894 274 L HN 0.354 nan 8.230 nan 0.000 0.432 275 E N 0.046 120.270 120.200 0.039 0.000 2.153 275 E HA -0.159 4.194 4.350 0.005 0.000 0.194 275 E C 2.168 178.785 176.600 0.027 0.000 0.988 275 E CA 1.209 57.639 56.400 0.051 0.000 0.811 275 E CB -0.326 29.393 29.700 0.032 0.000 0.746 275 E HN 0.663 nan 8.360 nan 0.000 0.466 276 A N 0.551 123.364 122.820 -0.013 0.000 1.898 276 A HA -0.168 4.155 4.320 0.005 0.000 0.216 276 A C 2.526 180.070 177.584 -0.068 0.000 1.181 276 A CA 1.281 53.272 52.037 -0.077 0.000 0.620 276 A CB -1.005 17.937 19.000 -0.097 0.000 0.819 276 A HN 0.407 nan 8.150 nan 0.000 0.442 277 C N 0.049 119.388 119.300 0.066 0.000 2.419 277 C HA -0.074 4.389 4.460 0.005 0.000 0.281 277 C C 2.552 177.639 174.990 0.160 0.000 1.336 277 C CA 1.202 60.347 59.018 0.213 0.000 1.770 277 C CB -1.316 26.527 27.740 0.172 0.000 1.929 277 C HN 0.610 nan 8.230 nan 0.000 0.509 278 E N -0.097 120.174 120.200 0.119 0.000 2.097 278 E HA -0.260 4.094 4.350 0.005 0.000 0.196 278 E C 1.773 178.390 176.600 0.029 0.000 1.000 278 E CA 1.389 57.873 56.400 0.140 0.000 0.804 278 E CB -0.771 29.010 29.700 0.135 0.000 0.740 278 E HN 0.808 nan 8.360 nan 0.000 0.454 279 F N 0.437 120.210 119.950 -0.294 0.000 2.115 279 F HA -0.260 4.272 4.527 0.008 0.000 0.300 279 F C 1.937 177.490 175.800 -0.411 0.000 1.092 279 F CA 1.882 59.593 58.000 -0.482 0.000 1.245 279 F CB -0.459 38.030 39.000 -0.852 0.000 0.995 279 F HN 0.048 nan 8.300 nan 0.000 0.481 280 W N -0.285 121.119 121.300 0.174 0.000 2.388 280 W HA -0.072 4.590 4.660 0.004 0.000 0.294 280 W C 2.340 178.867 176.519 0.014 0.000 1.212 280 W CA 0.405 57.802 57.345 0.086 0.000 1.271 280 W CB -0.729 28.796 29.460 0.108 0.000 1.126 280 W HN 0.001 nan 8.180 nan 0.000 0.535 281 L N 0.032 121.374 121.223 0.197 0.000 1.994 281 L HA -0.219 4.124 4.340 0.005 0.000 0.208 281 L C 2.491 179.371 176.870 0.016 0.000 1.071 281 L CA 1.816 56.731 54.840 0.124 0.000 0.745 281 L CB -1.017 41.139 42.059 0.160 0.000 0.892 281 L HN -0.018 nan 8.230 nan 0.000 0.431 282 T N 0.173 114.686 114.554 -0.068 0.000 2.652 282 T HA -0.257 4.097 4.350 0.005 0.000 0.267 282 T C 1.898 176.488 174.700 -0.183 0.000 1.039 282 T CA 1.322 63.339 62.100 -0.139 0.000 1.153 282 T CB -0.369 68.379 68.868 -0.200 0.000 0.863 282 T HN 0.214 nan 8.240 nan 0.000 0.428 283 L N 0.688 121.730 121.223 -0.301 0.000 2.013 283 L HA -0.210 4.133 4.340 0.005 0.000 0.212 283 L C 2.845 179.667 176.870 -0.081 0.000 1.073 283 L CA 1.643 56.330 54.840 -0.254 0.000 0.753 283 L CB -0.626 41.267 42.059 -0.277 0.000 0.890 283 L HN 0.312 nan 8.230 nan 0.000 0.432 284 A N -0.721 122.092 122.820 -0.011 0.000 2.032 284 A HA -0.217 4.106 4.320 0.005 0.000 0.221 284 A C 2.014 179.581 177.584 -0.029 0.000 1.165 284 A CA 1.731 53.773 52.037 0.009 0.000 0.645 284 A CB -0.343 18.689 19.000 0.054 0.000 0.807 284 A HN 0.517 nan 8.150 nan 0.000 0.453 285 E N 0.310 120.485 120.200 -0.041 0.000 2.170 285 E HA -0.035 4.318 4.350 0.005 0.000 0.191 285 E C 0.289 176.859 176.600 -0.050 0.000 0.981 285 E CA 0.241 56.615 56.400 -0.043 0.000 0.830 285 E CB -0.252 29.422 29.700 -0.042 0.000 0.775 285 E HN 0.631 nan 8.360 nan 0.000 0.470 286 Q N 1.823 121.587 119.800 -0.060 0.000 2.337 286 Q HA 0.042 4.385 4.340 0.005 0.000 0.270 286 Q C -1.547 174.426 176.000 -0.044 0.000 1.002 286 Q CA -1.302 54.470 55.803 -0.053 0.000 0.888 286 Q CB 0.279 28.979 28.738 -0.062 0.000 1.222 286 Q HN 0.039 nan 8.270 nan 0.000 0.400 287 P HA -0.106 nan 4.420 nan 0.000 0.226 287 P C 1.066 178.351 177.300 -0.026 0.000 1.153 287 P CA 0.828 63.908 63.100 -0.033 0.000 0.777 287 P CB 0.239 31.925 31.700 -0.023 0.000 0.794 288 I N -0.093 120.466 120.570 -0.017 0.000 2.163 288 I HA -0.218 3.956 4.170 0.005 0.000 0.240 288 I C 2.798 178.921 176.117 0.010 0.000 1.081 288 I CA 0.811 62.111 61.300 -0.000 0.000 1.353 288 I CB -2.104 35.896 38.000 0.001 0.000 1.054 288 I HN 0.106 nan 8.210 nan 0.000 0.407 289 C N 1.879 121.180 119.300 0.001 0.000 2.345 289 C HA -0.348 4.116 4.460 0.005 0.000 0.259 289 C C 3.031 178.047 174.990 0.044 0.000 1.081 289 C CA 2.261 61.294 59.018 0.025 0.000 1.854 289 C CB -1.074 26.659 27.740 -0.012 0.000 2.127 289 C HN 0.493 nan 8.230 nan 0.000 0.432 290 K N -0.553 119.816 120.400 -0.051 0.000 2.173 290 K HA -0.201 4.122 4.320 0.005 0.000 0.207 290 K C 1.155 177.838 176.600 0.139 0.000 1.046 290 K CA 2.366 58.585 56.287 -0.113 0.000 0.929 290 K CB -0.401 32.017 32.500 -0.137 0.000 0.720 290 K HN 0.647 nan 8.250 nan 0.000 0.453 291 D N -1.341 119.143 120.400 0.139 0.000 2.479 291 D HA 0.019 4.662 4.640 0.005 0.000 0.221 291 D C 1.521 177.942 176.300 0.202 0.000 1.104 291 D CA 0.221 54.326 54.000 0.174 0.000 0.849 291 D CB 0.611 41.483 40.800 0.120 0.000 1.072 291 D HN -0.011 nan 8.370 nan 0.000 0.502 292 V N 0.456 120.487 119.914 0.195 0.000 2.951 292 V HA 0.054 4.177 4.120 0.005 0.000 0.255 292 V C 2.153 178.470 176.094 0.372 0.000 1.088 292 V CA 0.748 63.186 62.300 0.230 0.000 1.109 292 V CB 0.071 31.948 31.823 0.091 0.000 0.724 292 V HN 0.146 nan 8.190 nan 0.000 0.471 293 L N -0.366 121.069 121.223 0.354 0.000 2.556 293 L HA 0.087 4.431 4.340 0.005 0.000 0.226 293 L C 2.265 179.304 176.870 0.281 0.000 1.089 293 L CA 0.228 55.313 54.840 0.409 0.000 0.864 293 L CB 0.410 42.687 42.059 0.364 0.000 1.067 293 L HN 0.208 nan 8.230 nan 0.000 0.477 294 V N 0.886 120.936 119.914 0.226 0.000 2.317 294 V HA -0.341 3.782 4.120 0.005 0.000 0.251 294 V C 2.544 178.614 176.094 -0.040 0.000 1.065 294 V CA 2.437 64.753 62.300 0.027 0.000 1.049 294 V CB -1.082 30.792 31.823 0.085 0.000 0.651 294 V HN 0.643 nan 8.190 nan 0.000 0.450 295 R N 0.061 120.544 120.500 -0.028 0.000 2.235 295 R HA -0.096 4.248 4.340 0.005 0.000 0.213 295 R C 1.786 177.916 176.300 -0.283 0.000 1.059 295 R CA 1.728 57.719 56.100 -0.181 0.000 0.997 295 R CB -0.562 29.571 30.300 -0.278 0.000 0.884 295 R HN 0.599 nan 8.270 nan 0.000 0.462 296 H N -0.500 118.571 119.070 0.000 0.000 2.575 296 H HA 0.150 4.709 4.556 0.005 0.000 0.267 296 H C 1.267 176.502 175.328 -0.155 0.000 0.966 296 H CA -0.051 55.978 56.048 -0.030 0.000 1.165 296 H CB 0.446 30.240 29.762 0.053 0.000 1.433 296 H HN -0.011 nan 8.280 nan 0.000 0.544 297 L N 1.257 122.372 121.223 -0.180 0.000 2.013 297 L HA -0.105 4.238 4.340 0.005 0.000 0.212 297 L C -0.651 175.971 176.870 -0.414 0.000 1.073 297 L CA 1.796 56.362 54.840 -0.457 0.000 0.753 297 L CB -1.033 40.451 42.059 -0.958 0.000 0.890 297 L HN 0.234 nan 8.230 nan 0.000 0.432 298 P HA -0.115 nan 4.420 nan 0.000 0.239 298 P C 1.297 178.558 177.300 -0.064 0.000 1.184 298 P CA 1.122 64.203 63.100 -0.031 0.000 0.760 298 P CB 0.067 31.812 31.700 0.075 0.000 0.884 299 K N -1.030 119.312 120.400 -0.097 0.000 2.365 299 K HA 0.163 4.486 4.320 0.005 0.000 0.195 299 K C 1.681 178.185 176.600 -0.160 0.000 1.079 299 K CA -0.026 56.207 56.287 -0.089 0.000 0.979 299 K CB -0.038 32.438 32.500 -0.040 0.000 0.929 299 K HN 0.071 nan 8.250 nan 0.000 0.523 300 L N 1.370 122.452 121.223 -0.236 0.000 2.068 300 L HA -0.112 4.232 4.340 0.005 0.000 0.204 300 L C 2.003 178.678 176.870 -0.324 0.000 1.076 300 L CA 0.786 55.389 54.840 -0.395 0.000 0.753 300 L CB -0.181 41.576 42.059 -0.503 0.000 0.910 300 L HN 0.154 nan 8.230 nan 0.000 0.439 301 I N 0.907 121.331 120.570 -0.244 0.000 2.118 301 I HA -0.226 3.948 4.170 0.005 0.000 0.241 301 I C -0.082 175.950 176.117 -0.142 0.000 1.070 301 I CA 1.788 62.984 61.300 -0.174 0.000 1.327 301 I CB -2.986 34.938 38.000 -0.125 0.000 1.034 301 I HN 0.205 nan 8.210 nan 0.000 0.405 302 P HA -0.089 nan 4.420 nan 0.000 0.216 302 P C 2.302 179.535 177.300 -0.112 0.000 1.150 302 P CA 1.031 64.072 63.100 -0.099 0.000 0.837 302 P CB -0.008 31.644 31.700 -0.080 0.000 0.786 303 V N -0.823 119.006 119.914 -0.141 0.000 2.343 303 V HA -0.211 3.912 4.120 0.005 0.000 0.247 303 V C 2.348 178.358 176.094 -0.139 0.000 1.051 303 V CA 1.599 63.815 62.300 -0.140 0.000 1.036 303 V CB -1.110 30.609 31.823 -0.175 0.000 0.654 303 V HN 0.023 nan 8.190 nan 0.000 0.451 304 L N -0.361 120.757 121.223 -0.175 0.000 1.994 304 L HA -0.100 4.244 4.340 0.005 0.000 0.208 304 L C 2.418 179.222 176.870 -0.111 0.000 1.071 304 L CA 1.698 56.454 54.840 -0.140 0.000 0.745 304 L CB -1.120 40.847 42.059 -0.153 0.000 0.892 304 L HN 0.150 nan 8.230 nan 0.000 0.431 305 V N -0.301 119.548 119.914 -0.108 0.000 2.515 305 V HA -0.245 3.878 4.120 0.005 0.000 0.250 305 V C 2.236 178.267 176.094 -0.105 0.000 1.058 305 V CA 1.606 63.848 62.300 -0.098 0.000 1.064 305 V CB -0.754 31.018 31.823 -0.086 0.000 0.675 305 V HN 0.508 nan 8.190 nan 0.000 0.461 306 N N 0.790 119.428 118.700 -0.103 0.000 2.270 306 N HA -0.060 4.683 4.740 0.005 0.000 0.181 306 N C 1.822 177.269 175.510 -0.106 0.000 1.016 306 N CA 1.214 54.202 53.050 -0.102 0.000 0.870 306 N CB -0.269 38.165 38.487 -0.089 0.000 0.979 306 N HN 0.386 nan 8.380 nan 0.000 0.431 307 G N -0.253 108.485 108.800 -0.103 0.000 2.484 307 G HA2 -0.131 3.832 3.960 0.005 0.000 0.218 307 G HA3 -0.131 3.832 3.960 0.005 0.000 0.218 307 G C 1.273 176.093 174.900 -0.134 0.000 1.130 307 G CA 0.262 45.298 45.100 -0.106 0.000 0.784 307 G HN 0.308 nan 8.290 nan 0.000 0.543 308 M N -0.118 119.396 119.600 -0.144 0.000 2.619 308 M HA 0.155 4.639 4.480 0.005 0.000 0.251 308 M C 0.985 177.148 176.300 -0.229 0.000 1.106 308 M CA 0.326 55.517 55.300 -0.182 0.000 1.086 308 M CB 0.149 32.657 32.600 -0.154 0.000 1.465 308 M HN -0.069 nan 8.290 nan 0.000 0.506 309 K N 0.491 120.779 120.400 -0.187 0.000 2.401 309 K HA 0.025 4.348 4.320 0.005 0.000 0.278 309 K C -0.932 175.577 176.600 -0.152 0.000 1.018 309 K CA -0.196 55.980 56.287 -0.185 0.000 0.981 309 K CB 0.474 32.884 32.500 -0.150 0.000 0.933 309 K HN -0.085 nan 8.250 nan 0.000 0.477 310 Y N 2.264 122.476 120.300 -0.148 0.000 2.745 310 Y HA -0.109 4.444 4.550 0.006 0.000 0.335 310 Y C 0.834 176.657 175.900 -0.128 0.000 1.212 310 Y CA 0.288 58.312 58.100 -0.127 0.000 1.535 310 Y CB -0.018 38.367 38.460 -0.124 0.000 1.220 310 Y HN 0.486 nan 8.280 nan 0.000 0.531 311 S N 2.444 118.193 115.700 0.082 0.000 2.525 311 S HA -0.064 4.409 4.470 0.005 0.000 0.285 311 S C 1.273 175.880 174.600 0.011 0.000 1.283 311 S CA -0.534 57.674 58.200 0.013 0.000 1.072 311 S CB 0.636 63.834 63.200 -0.004 0.000 0.867 311 S HN 0.823 nan 8.310 nan 0.000 0.492 312 D N 2.324 122.712 120.400 -0.020 0.000 2.239 312 D HA -0.161 4.482 4.640 0.005 0.000 0.202 312 D C 1.728 178.016 176.300 -0.019 0.000 0.993 312 D CA 1.508 55.492 54.000 -0.028 0.000 0.874 312 D CB -0.000 40.782 40.800 -0.030 0.000 0.922 312 D HN 0.783 nan 8.370 nan 0.000 0.464 313 I N -0.287 120.274 120.570 -0.015 0.000 2.394 313 I HA -0.188 3.985 4.170 0.005 0.000 0.251 313 I C 1.546 177.649 176.117 -0.024 0.000 1.136 313 I CA 0.976 62.266 61.300 -0.016 0.000 1.425 313 I CB -1.115 36.878 38.000 -0.012 0.000 1.079 313 I HN -0.142 nan 8.210 nan 0.000 0.425 314 D N 2.133 122.519 120.400 -0.024 0.000 2.144 314 D HA -0.134 4.509 4.640 0.005 0.000 0.199 314 D C 2.452 178.668 176.300 -0.139 0.000 0.984 314 D CA 1.127 55.093 54.000 -0.057 0.000 0.834 314 D CB -0.042 40.764 40.800 0.010 0.000 0.955 314 D HN 0.307 nan 8.370 nan 0.000 0.465 315 I N 0.652 121.144 120.570 -0.131 0.000 2.151 315 I HA -0.252 3.921 4.170 0.005 0.000 0.243 315 I C 2.371 178.461 176.117 -0.044 0.000 1.080 315 I CA 1.081 62.329 61.300 -0.088 0.000 1.339 315 I CB -0.831 37.187 38.000 0.030 0.000 1.039 315 I HN -0.007 nan 8.210 nan 0.000 0.409 316 I N -0.026 120.527 120.570 -0.028 0.000 2.406 316 I HA -0.186 3.987 4.170 0.005 0.000 0.249 316 I C 2.317 178.416 176.117 -0.030 0.000 1.122 316 I CA 0.708 61.996 61.300 -0.019 0.000 1.431 316 I CB -0.446 37.549 38.000 -0.008 0.000 1.087 316 I HN 0.109 nan 8.210 nan 0.000 0.424 317 L N -0.248 120.953 121.223 -0.036 0.000 2.141 317 L HA -0.087 4.256 4.340 0.005 0.000 0.209 317 L C 2.002 178.847 176.870 -0.043 0.000 1.094 317 L CA 1.745 56.565 54.840 -0.033 0.000 0.763 317 L CB -0.379 41.665 42.059 -0.026 0.000 0.908 317 L HN 0.123 nan 8.230 nan 0.000 0.437 318 L N -1.238 119.945 121.223 -0.067 0.000 1.972 318 L HA 0.002 4.346 4.340 0.005 0.000 0.209 318 L C 0.807 177.639 176.870 -0.063 0.000 1.125 318 L CA 0.933 55.727 54.840 -0.076 0.000 0.784 318 L CB -0.304 41.675 42.059 -0.133 0.000 0.902 318 L HN 0.050 nan 8.230 nan 0.000 0.444 367 D N 0.742 121.128 120.400 -0.024 0.000 2.346 367 D HA 0.096 4.740 4.640 0.005 0.000 0.267 367 D C -0.693 175.596 176.300 -0.019 0.000 1.320 367 D CA 0.225 54.212 54.000 -0.021 0.000 0.951 367 D CB 0.177 40.966 40.800 -0.018 0.000 1.079 367 D HN 0.101 nan 8.370 nan 0.000 0.509 368 D N 3.324 123.711 120.400 -0.022 0.000 2.416 368 D HA 0.108 4.751 4.640 0.005 0.000 0.240 368 D C -0.010 176.279 176.300 -0.019 0.000 1.250 368 D CA 0.281 54.268 54.000 -0.022 0.000 0.967 368 D CB 0.218 41.001 40.800 -0.027 0.000 1.059 368 D HN 0.345 nan 8.370 nan 0.000 0.512 369 T N -0.881 113.666 114.554 -0.012 0.000 2.916 369 T HA 0.475 4.828 4.350 0.005 0.000 0.305 369 T C 0.186 174.887 174.700 0.002 0.000 1.119 369 T CA -0.994 61.103 62.100 -0.004 0.000 1.008 369 T CB 1.599 70.469 68.868 0.002 0.000 1.129 369 T HN -0.053 nan 8.240 nan 0.000 0.480 370 I N 1.666 122.242 120.570 0.010 0.000 2.886 370 I HA 0.349 4.523 4.170 0.005 0.000 0.299 370 I C 1.452 177.587 176.117 0.029 0.000 1.044 370 I CA -0.493 60.818 61.300 0.018 0.000 1.310 370 I CB 1.056 39.074 38.000 0.031 0.000 1.441 370 I HN 0.965 nan 8.210 nan 0.000 0.578 371 S N 1.559 117.280 115.700 0.035 0.000 2.560 371 S HA -0.073 4.400 4.470 0.005 0.000 0.276 371 S C 1.101 175.752 174.600 0.085 0.000 1.350 371 S CA -0.117 58.117 58.200 0.056 0.000 1.024 371 S CB 0.269 63.505 63.200 0.061 0.000 0.864 371 S HN 0.551 nan 8.310 nan 0.000 0.536 372 D N 1.395 121.861 120.400 0.111 0.000 2.158 372 D HA -0.063 4.580 4.640 0.005 0.000 0.197 372 D C -0.034 176.456 176.300 0.318 0.000 0.995 372 D CA 1.162 55.258 54.000 0.160 0.000 0.846 372 D CB 0.084 40.957 40.800 0.121 0.000 0.941 372 D HN 0.630 nan 8.370 nan 0.000 0.456 373 W N 1.266 122.561 121.300 -0.009 0.000 2.647 373 W HA 0.261 4.925 4.660 0.006 0.000 0.328 373 W C -0.931 175.585 176.519 -0.005 0.000 1.018 373 W CA -0.688 56.652 57.345 -0.008 0.000 1.245 373 W CB 0.975 30.430 29.460 -0.008 0.000 1.356 373 W HN -0.280 nan 8.180 nan 0.000 0.443 374 N N 3.561 121.975 118.700 -0.477 0.000 2.469 374 N HA 0.191 4.935 4.740 0.005 0.000 0.286 374 N C 0.579 175.764 175.510 -0.542 0.000 1.275 374 N CA -0.600 52.225 53.050 -0.375 0.000 0.790 374 N CB 2.228 40.582 38.487 -0.221 0.000 1.446 374 N HN 0.423 nan 8.380 nan 0.000 0.501 375 L N 2.021 123.054 121.223 -0.316 0.000 2.012 375 L HA -0.086 4.257 4.340 0.005 0.000 0.210 375 L C 2.547 179.253 176.870 -0.273 0.000 1.073 375 L CA 1.836 56.518 54.840 -0.263 0.000 0.748 375 L CB -0.437 41.533 42.059 -0.148 0.000 0.891 375 L HN 0.622 nan 8.230 nan 0.000 0.431 376 R N -0.292 120.065 120.500 -0.238 0.000 2.094 376 R HA -0.255 4.089 4.340 0.005 0.000 0.239 376 R C 2.375 178.507 176.300 -0.279 0.000 1.137 376 R CA 2.305 58.264 56.100 -0.234 0.000 0.943 376 R CB -0.278 29.892 30.300 -0.217 0.000 0.850 376 R HN 0.362 nan 8.270 nan 0.000 0.433 377 K N -0.244 119.939 120.400 -0.361 0.000 2.057 377 K HA -0.161 4.163 4.320 0.005 0.000 0.207 377 K C 2.305 178.619 176.600 -0.478 0.000 1.049 377 K CA 1.506 57.562 56.287 -0.385 0.000 0.931 377 K CB -0.376 31.891 32.500 -0.388 0.000 0.714 377 K HN 0.284 nan 8.250 nan 0.000 0.440 378 C N 0.616 119.439 119.300 -0.795 0.000 2.429 378 C HA -0.114 4.349 4.460 0.005 0.000 0.277 378 C C 2.692 177.604 174.990 -0.130 0.000 1.262 378 C CA 1.328 60.026 59.018 -0.533 0.000 1.733 378 C CB -0.824 26.602 27.740 -0.523 0.000 2.010 378 C HN 0.435 nan 8.230 nan 0.000 0.483 379 S N 0.720 116.334 115.700 -0.144 0.000 2.356 379 S HA -0.095 4.378 4.470 0.005 0.000 0.223 379 S C 2.186 176.758 174.600 -0.046 0.000 1.032 379 S CA 1.422 59.585 58.200 -0.061 0.000 1.005 379 S CB -0.602 62.541 63.200 -0.094 0.000 0.867 379 S HN 0.815 nan 8.310 nan 0.000 0.449 380 A N 1.686 124.457 122.820 -0.082 0.000 1.902 380 A HA 0.066 4.389 4.320 0.005 0.000 0.217 380 A C 2.369 179.966 177.584 0.022 0.000 1.181 380 A CA 1.789 53.800 52.037 -0.043 0.000 0.623 380 A CB -1.145 17.802 19.000 -0.089 0.000 0.818 380 A HN 0.519 nan 8.150 nan 0.000 0.443 381 A N -0.174 122.670 122.820 0.041 0.000 1.902 381 A HA 0.143 4.466 4.320 0.005 0.000 0.217 381 A C 2.514 180.170 177.584 0.119 0.000 1.181 381 A CA 2.190 54.299 52.037 0.120 0.000 0.623 381 A CB -1.027 18.115 19.000 0.237 0.000 0.818 381 A HN 1.076 nan 8.150 nan 0.000 0.443 382 A N -0.777 122.115 122.820 0.120 0.000 1.898 382 A HA 0.000 4.324 4.320 0.005 0.000 0.216 382 A C 2.112 179.753 177.584 0.094 0.000 1.181 382 A CA 1.651 53.771 52.037 0.138 0.000 0.620 382 A CB -0.598 18.521 19.000 0.199 0.000 0.819 382 A HN 0.525 nan 8.150 nan 0.000 0.442 383 L N 0.504 121.761 121.223 0.057 0.000 1.989 383 L HA -0.213 4.130 4.340 0.005 0.000 0.211 383 L C 2.200 179.106 176.870 0.061 0.000 1.071 383 L CA 2.605 57.470 54.840 0.041 0.000 0.749 383 L CB -0.597 41.472 42.059 0.017 0.000 0.890 383 L HN 0.559 nan 8.230 nan 0.000 0.431 384 D N -1.006 119.436 120.400 0.071 0.000 2.149 384 D HA -0.168 4.475 4.640 0.005 0.000 0.198 384 D C 1.960 178.296 176.300 0.061 0.000 0.990 384 D CA 1.817 55.861 54.000 0.073 0.000 0.839 384 D CB 0.237 41.096 40.800 0.097 0.000 0.948 384 D HN 0.285 nan 8.370 nan 0.000 0.460 385 V N 0.977 120.931 119.914 0.067 0.000 2.488 385 V HA -0.152 3.971 4.120 0.005 0.000 0.246 385 V C 2.778 178.896 176.094 0.040 0.000 1.046 385 V CA 0.755 63.084 62.300 0.049 0.000 1.053 385 V CB -0.384 31.472 31.823 0.055 0.000 0.679 385 V HN 0.214 nan 8.190 nan 0.000 0.458 386 L N 0.392 121.658 121.223 0.073 0.000 2.093 386 L HA -0.112 4.232 4.340 0.005 0.000 0.208 386 L C 2.797 179.750 176.870 0.137 0.000 1.085 386 L CA 1.383 56.289 54.840 0.111 0.000 0.755 386 L CB -0.836 41.324 42.059 0.168 0.000 0.904 386 L HN 0.358 nan 8.230 nan 0.000 0.435 387 A N 0.366 123.247 122.820 0.101 0.000 1.883 387 A HA -0.239 4.084 4.320 0.005 0.000 0.217 387 A C 2.061 179.682 177.584 0.062 0.000 1.186 387 A CA 1.993 54.084 52.037 0.090 0.000 0.624 387 A CB -0.614 18.420 19.000 0.056 0.000 0.822 387 A HN 0.453 nan 8.150 nan 0.000 0.444 388 N N -0.219 118.497 118.700 0.028 0.000 2.381 388 N HA -0.071 4.672 4.740 0.005 0.000 0.182 388 N C 1.605 177.094 175.510 -0.035 0.000 1.025 388 N CA 1.344 54.393 53.050 -0.001 0.000 0.888 388 N CB -0.042 38.440 38.487 -0.007 0.000 0.965 388 N HN 0.325 nan 8.380 nan 0.000 0.438 389 V N -0.181 119.686 119.914 -0.079 0.000 2.446 389 V HA -0.118 4.006 4.120 0.005 0.000 0.244 389 V C 1.314 177.241 176.094 -0.279 0.000 1.039 389 V CA 1.216 63.377 62.300 -0.231 0.000 1.045 389 V CB -0.430 31.159 31.823 -0.390 0.000 0.681 389 V HN 0.179 nan 8.190 nan 0.000 0.459 390 Y N -0.024 120.292 120.300 0.026 0.000 2.497 390 Y HA 0.211 4.767 4.550 0.009 0.000 0.265 390 Y C 1.614 177.532 175.900 0.030 0.000 1.111 390 Y CA -0.652 57.467 58.100 0.033 0.000 1.288 390 Y CB 0.038 38.524 38.460 0.044 0.000 1.082 390 Y HN 0.155 nan 8.280 nan 0.000 0.536 391 R N -0.137 120.447 120.500 0.141 0.000 3.835 391 R HA -0.299 4.044 4.340 0.005 0.000 0.455 391 R C 0.767 177.127 176.300 0.100 0.000 0.241 391 R CA 1.538 57.693 56.100 0.091 0.000 1.439 391 R CB -1.713 28.625 30.300 0.063 0.000 0.987 391 R HN 0.269 nan 8.270 nan 0.000 0.570 392 D N 1.417 121.864 120.400 0.078 0.000 2.264 392 D HA -0.095 4.548 4.640 0.005 0.000 0.208 392 D C 1.598 177.937 176.300 0.065 0.000 0.966 392 D CA 1.022 55.061 54.000 0.065 0.000 0.864 392 D CB -0.227 40.604 40.800 0.053 0.000 0.933 392 D HN 0.473 nan 8.370 nan 0.000 0.499 393 E N 0.286 120.543 120.200 0.094 0.000 2.463 393 E HA -0.109 4.244 4.350 0.005 0.000 0.201 393 E C 1.866 178.508 176.600 0.070 0.000 1.045 393 E CA 0.058 56.508 56.400 0.083 0.000 0.872 393 E CB 0.056 29.841 29.700 0.141 0.000 0.797 393 E HN 0.215 nan 8.360 nan 0.000 0.538 394 L N 0.001 121.285 121.223 0.101 0.000 2.477 394 L HA 0.053 4.396 4.340 0.005 0.000 0.220 394 L C 1.792 178.696 176.870 0.057 0.000 1.106 394 L CA 0.175 55.072 54.840 0.097 0.000 0.851 394 L CB 0.213 42.348 42.059 0.127 0.000 0.994 394 L HN 0.133 nan 8.230 nan 0.000 0.462 395 L N 0.231 121.465 121.223 0.019 0.000 2.012 395 L HA -0.154 4.190 4.340 0.005 0.000 0.210 395 L C -0.331 176.499 176.870 -0.067 0.000 1.073 395 L CA 1.321 56.143 54.840 -0.029 0.000 0.748 395 L CB -2.008 40.039 42.059 -0.020 0.000 0.891 395 L HN 0.225 nan 8.230 nan 0.000 0.431 396 P HA -0.183 nan 4.420 nan 0.000 0.216 396 P C 1.133 178.309 177.300 -0.205 0.000 1.150 396 P CA 1.635 64.629 63.100 -0.176 0.000 0.843 396 P CB -0.066 31.477 31.700 -0.262 0.000 0.787 397 H N -2.491 116.528 119.070 -0.086 0.000 2.470 397 H HA 0.011 4.571 4.556 0.005 0.000 0.289 397 H C 1.758 177.033 175.328 -0.088 0.000 1.033 397 H CA 0.707 56.698 56.048 -0.095 0.000 1.331 397 H CB -0.119 29.570 29.762 -0.122 0.000 1.414 397 H HN 0.093 nan 8.280 nan 0.000 0.545 398 I N -0.902 119.681 120.570 0.021 0.000 3.039 398 I HA -0.046 4.127 4.170 0.005 0.000 0.270 398 I C 1.285 177.360 176.117 -0.070 0.000 1.150 398 I CA 0.528 61.813 61.300 -0.025 0.000 1.448 398 I CB -0.056 37.929 38.000 -0.025 0.000 1.197 398 I HN 0.016 nan 8.210 nan 0.000 0.450 399 L N 1.861 123.020 121.223 -0.107 0.000 1.997 399 L HA -0.160 4.183 4.340 0.005 0.000 0.216 399 L C -0.346 176.453 176.870 -0.118 0.000 1.074 399 L CA 2.620 57.360 54.840 -0.166 0.000 0.763 399 L CB -2.538 39.379 42.059 -0.237 0.000 0.890 399 L HN 0.171 nan 8.230 nan 0.000 0.434 400 P HA -0.202 nan 4.420 nan 0.000 0.216 400 P C 2.032 179.308 177.300 -0.040 0.000 1.154 400 P CA 1.304 64.373 63.100 -0.051 0.000 0.865 400 P CB -0.004 31.670 31.700 -0.043 0.000 0.789 401 L N -2.001 119.194 121.223 -0.046 0.000 2.141 401 L HA -0.122 4.221 4.340 0.005 0.000 0.209 401 L C 2.487 179.330 176.870 -0.046 0.000 1.094 401 L CA 1.454 56.269 54.840 -0.041 0.000 0.763 401 L CB -1.189 40.842 42.059 -0.047 0.000 0.908 401 L HN -0.062 nan 8.230 nan 0.000 0.437 402 L N -1.102 120.079 121.223 -0.071 0.000 1.994 402 L HA -0.219 4.124 4.340 0.005 0.000 0.208 402 L C 2.700 179.524 176.870 -0.077 0.000 1.071 402 L CA 1.151 55.935 54.840 -0.093 0.000 0.745 402 L CB -0.454 41.524 42.059 -0.136 0.000 0.892 402 L HN 0.175 nan 8.230 nan 0.000 0.431 403 K N 0.034 120.415 120.400 -0.032 0.000 2.059 403 K HA -0.296 4.027 4.320 0.005 0.000 0.212 403 K C 1.961 178.644 176.600 0.138 0.000 1.050 403 K CA 1.817 58.155 56.287 0.085 0.000 0.927 403 K CB -0.297 32.248 32.500 0.074 0.000 0.714 403 K HN 0.383 nan 8.250 nan 0.000 0.447 404 E N 0.241 120.482 120.200 0.070 0.000 2.110 404 E HA -0.138 4.216 4.350 0.005 0.000 0.193 404 E C 2.072 178.741 176.600 0.114 0.000 0.988 404 E CA 0.771 57.224 56.400 0.089 0.000 0.804 404 E CB 0.145 29.876 29.700 0.052 0.000 0.745 404 E HN 0.227 nan 8.360 nan 0.000 0.458 405 L N -0.082 121.163 121.223 0.037 0.000 2.200 405 L HA -0.030 4.313 4.340 0.005 0.000 0.200 405 L C 2.486 179.350 176.870 -0.011 0.000 1.072 405 L CA 0.253 55.097 54.840 0.007 0.000 0.787 405 L CB -0.335 41.693 42.059 -0.053 0.000 0.957 405 L HN 0.170 nan 8.230 nan 0.000 0.459 406 L N -0.702 120.433 121.223 -0.146 0.000 2.081 406 L HA -0.228 4.116 4.340 0.005 0.000 0.212 406 L C 2.225 178.901 176.870 -0.324 0.000 1.080 406 L CA 1.594 56.238 54.840 -0.327 0.000 0.754 406 L CB -0.370 41.278 42.059 -0.686 0.000 0.893 406 L HN 0.177 nan 8.230 nan 0.000 0.433 407 F N -3.172 116.802 119.950 0.039 0.000 2.656 407 F HA 0.116 4.646 4.527 0.006 0.000 0.291 407 F C 1.518 177.320 175.800 0.003 0.000 1.122 407 F CA -0.525 57.490 58.000 0.025 0.000 1.427 407 F CB -0.533 38.430 39.000 -0.063 0.000 1.125 407 F HN -0.019 nan 8.300 nan 0.000 0.583 408 H N 1.459 120.579 119.070 0.084 0.000 3.177 408 H HA -0.141 4.419 4.556 0.006 0.000 0.313 408 H C 1.330 176.699 175.328 0.069 0.000 0.983 408 H CA 0.999 57.062 56.048 0.025 0.000 1.358 408 H CB 0.438 30.217 29.762 0.029 0.000 1.294 408 H HN 0.188 nan 8.280 nan 0.000 0.587 409 H N 3.596 122.711 119.070 0.074 0.000 2.395 409 H HA -0.028 4.532 4.556 0.006 0.000 0.299 409 H C 0.252 175.745 175.328 0.274 0.000 1.070 409 H CA 0.711 56.847 56.048 0.147 0.000 1.356 409 H CB 0.358 30.139 29.762 0.032 0.000 1.401 409 H HN 0.647 nan 8.280 nan 0.000 0.524 410 E N 1.945 122.472 120.200 0.545 0.000 2.351 410 E HA -0.080 4.273 4.350 0.005 0.000 0.266 410 E C 1.051 177.785 176.600 0.223 0.000 1.031 410 E CA -0.365 56.230 56.400 0.325 0.000 0.911 410 E CB 0.506 30.320 29.700 0.191 0.000 0.986 410 E HN 0.530 nan 8.360 nan 0.000 0.446 411 W N 3.845 125.226 121.300 0.135 0.000 2.418 411 W HA -0.129 4.534 4.660 0.005 0.000 0.292 411 W C 0.935 177.503 176.519 0.081 0.000 1.213 411 W CA 0.411 57.820 57.345 0.106 0.000 1.283 411 W CB -0.922 28.592 29.460 0.089 0.000 1.119 411 W HN 0.263 nan 8.180 nan 0.000 0.542 412 V N 2.147 121.521 119.914 -0.900 0.000 2.380 412 V HA -0.339 3.785 4.120 0.005 0.000 0.251 412 V C 2.612 178.518 176.094 -0.314 0.000 1.063 412 V CA 2.254 64.094 62.300 -0.768 0.000 1.055 412 V CB -1.279 30.032 31.823 -0.854 0.000 0.657 412 V HN 0.090 nan 8.190 nan 0.000 0.455 413 V N -0.244 119.497 119.914 -0.289 0.000 2.270 413 V HA -0.263 3.861 4.120 0.005 0.000 0.245 413 V C 2.418 178.436 176.094 -0.126 0.000 1.043 413 V CA 2.290 64.427 62.300 -0.271 0.000 1.014 413 V CB -0.695 30.788 31.823 -0.567 0.000 0.645 413 V HN 0.534 nan 8.190 nan 0.000 0.447 414 K N -0.018 120.377 120.400 -0.008 0.000 2.044 414 K HA -0.285 4.038 4.320 0.005 0.000 0.210 414 K C 2.323 178.965 176.600 0.069 0.000 1.049 414 K CA 1.990 58.322 56.287 0.075 0.000 0.927 414 K CB -0.253 32.354 32.500 0.178 0.000 0.713 414 K HN 0.425 nan 8.250 nan 0.000 0.443 415 E N 0.844 121.111 120.200 0.111 0.000 2.033 415 E HA -0.209 4.144 4.350 0.005 0.000 0.199 415 E C 1.920 178.528 176.600 0.014 0.000 1.011 415 E CA 2.096 58.572 56.400 0.127 0.000 0.815 415 E CB -0.282 29.559 29.700 0.236 0.000 0.755 415 E HN 0.471 nan 8.360 nan 0.000 0.451 416 S N -0.508 115.150 115.700 -0.069 0.000 2.419 416 S HA -0.091 4.383 4.470 0.005 0.000 0.235 416 S C 2.160 176.720 174.600 -0.066 0.000 1.019 416 S CA 1.325 59.454 58.200 -0.118 0.000 0.982 416 S CB -0.796 62.309 63.200 -0.159 0.000 0.789 416 S HN 0.349 nan 8.310 nan 0.000 0.490 417 G N 2.124 110.896 108.800 -0.047 0.000 2.404 417 G HA2 -0.046 3.917 3.960 0.005 0.000 0.215 417 G HA3 -0.046 3.917 3.960 0.005 0.000 0.215 417 G C 1.403 176.300 174.900 -0.006 0.000 1.174 417 G CA 0.929 46.005 45.100 -0.041 0.000 0.780 417 G HN 0.575 nan 8.290 nan 0.000 0.537 418 I N 0.242 120.830 120.570 0.030 0.000 2.208 418 I HA -0.145 4.028 4.170 0.005 0.000 0.245 418 I C 2.587 178.787 176.117 0.138 0.000 1.097 418 I CA 0.609 61.960 61.300 0.084 0.000 1.363 418 I CB -0.297 37.772 38.000 0.115 0.000 1.051 418 I HN 0.169 nan 8.210 nan 0.000 0.413 419 L N 0.661 121.950 121.223 0.110 0.000 1.990 419 L HA -0.195 4.148 4.340 0.005 0.000 0.213 419 L C 2.481 179.445 176.870 0.157 0.000 1.072 419 L CA 1.843 56.767 54.840 0.140 0.000 0.755 419 L CB -0.578 41.463 42.059 -0.031 0.000 0.889 419 L HN -0.016 nan 8.230 nan 0.000 0.432 420 V N -0.306 119.644 119.914 0.059 0.000 2.282 420 V HA -0.339 3.784 4.120 0.005 0.000 0.249 420 V C 2.592 178.728 176.094 0.070 0.000 1.057 420 V CA 2.044 64.369 62.300 0.042 0.000 1.032 420 V CB -0.719 31.098 31.823 -0.011 0.000 0.645 420 V HN 0.519 nan 8.190 nan 0.000 0.447 421 L N 0.295 121.561 121.223 0.071 0.000 2.079 421 L HA -0.159 4.184 4.340 0.005 0.000 0.210 421 L C 2.337 179.300 176.870 0.155 0.000 1.081 421 L CA 2.364 57.260 54.840 0.094 0.000 0.752 421 L CB -1.130 40.968 42.059 0.066 0.000 0.896 421 L HN 0.490 nan 8.230 nan 0.000 0.433 422 G N -1.462 107.415 108.800 0.128 0.000 2.430 422 G HA2 -0.128 3.835 3.960 0.005 0.000 0.216 422 G HA3 -0.128 3.835 3.960 0.005 0.000 0.216 422 G C 1.664 176.526 174.900 -0.064 0.000 1.146 422 G CA 0.608 45.643 45.100 -0.109 0.000 0.793 422 G HN 0.530 nan 8.290 nan 0.000 0.537 423 A N 1.347 124.274 122.820 0.179 0.000 1.930 423 A HA 0.059 4.383 4.320 0.005 0.000 0.217 423 A C 2.347 179.970 177.584 0.064 0.000 1.175 423 A CA 1.386 53.533 52.037 0.183 0.000 0.627 423 A CB -0.391 18.703 19.000 0.156 0.000 0.815 423 A HN 0.703 nan 8.150 nan 0.000 0.443 424 I N -3.547 117.045 120.570 0.036 0.000 3.251 424 I HA 0.231 4.404 4.170 0.005 0.000 0.277 424 I C 2.155 178.261 176.117 -0.018 0.000 1.268 424 I CA 0.797 62.110 61.300 0.021 0.000 1.449 424 I CB -0.360 37.658 38.000 0.030 0.000 1.083 424 I HN 0.140 nan 8.210 nan 0.000 0.464 425 A N 1.936 124.691 122.820 -0.108 0.000 1.927 425 A HA -0.311 4.012 4.320 0.005 0.000 0.220 425 A C 2.436 179.872 177.584 -0.245 0.000 1.185 425 A CA 2.510 54.352 52.037 -0.326 0.000 0.639 425 A CB -0.756 17.733 19.000 -0.851 0.000 0.820 425 A HN 0.711 nan 8.150 nan 0.000 0.451 426 E N -1.100 118.992 120.200 -0.180 0.000 2.021 426 E HA -0.034 4.319 4.350 0.005 0.000 0.189 426 E C 2.154 178.718 176.600 -0.060 0.000 0.980 426 E CA 0.884 57.210 56.400 -0.124 0.000 0.803 426 E CB -0.457 29.186 29.700 -0.095 0.000 0.766 426 E HN 0.455 nan 8.360 nan 0.000 0.449 427 G N -0.037 108.746 108.800 -0.028 0.000 2.422 427 G HA2 -0.205 3.759 3.960 0.005 0.000 0.218 427 G HA3 -0.205 3.759 3.960 0.005 0.000 0.218 427 G C 1.284 176.195 174.900 0.017 0.000 1.140 427 G CA 0.833 45.932 45.100 -0.000 0.000 0.775 427 G HN 0.384 nan 8.290 nan 0.000 0.545 428 C N 0.558 119.870 119.300 0.020 0.000 2.589 428 C HA 0.389 4.853 4.460 0.005 0.000 0.307 428 C C 2.176 177.195 174.990 0.049 0.000 1.328 428 C CA -0.515 58.526 59.018 0.039 0.000 1.742 428 C CB -0.781 26.984 27.740 0.041 0.000 2.037 428 C HN 0.463 nan 8.230 nan 0.000 0.592 429 M N 1.627 121.248 119.600 0.035 0.000 2.065 429 M HA -0.173 4.310 4.480 0.005 0.000 0.259 429 M C 2.285 178.620 176.300 0.058 0.000 1.071 429 M CA 2.075 57.410 55.300 0.059 0.000 1.109 429 M CB -0.483 32.129 32.600 0.021 0.000 1.313 429 M HN 0.235 nan 8.290 nan 0.000 0.408 430 Q N -0.596 119.230 119.800 0.044 0.000 2.170 430 Q HA -0.006 4.337 4.340 0.005 0.000 0.203 430 Q C 1.950 177.972 176.000 0.037 0.000 0.976 430 Q CA 1.734 57.561 55.803 0.040 0.000 0.858 430 Q CB -1.062 27.697 28.738 0.035 0.000 0.907 430 Q HN 0.714 nan 8.270 nan 0.000 0.433 431 G N -1.117 107.714 108.800 0.052 0.000 3.042 431 G HA2 0.005 3.969 3.960 0.005 0.000 0.212 431 G HA3 0.005 3.969 3.960 0.005 0.000 0.212 431 G C 1.161 176.144 174.900 0.138 0.000 1.166 431 G CA -0.112 45.036 45.100 0.081 0.000 0.767 431 G HN 0.092 nan 8.290 nan 0.000 0.546 432 M N 0.053 119.700 119.600 0.079 0.000 2.534 432 M HA 0.334 4.818 4.480 0.005 0.000 0.263 432 M C 2.313 178.568 176.300 -0.076 0.000 1.152 432 M CA 0.160 55.494 55.300 0.056 0.000 1.145 432 M CB -0.423 32.204 32.600 0.045 0.000 1.333 432 M HN 0.187 nan 8.290 nan 0.000 0.477 433 I N 1.004 121.476 120.570 -0.163 0.000 2.151 433 I HA -0.274 3.900 4.170 0.005 0.000 0.243 433 I C -0.648 175.255 176.117 -0.357 0.000 1.080 433 I CA 1.839 62.902 61.300 -0.395 0.000 1.339 433 I CB -1.809 36.077 38.000 -0.190 0.000 1.039 433 I HN 0.153 nan 8.210 nan 0.000 0.409 434 P HA -0.205 nan 4.420 nan 0.000 0.217 434 P C 1.058 178.118 177.300 -0.400 0.000 1.148 434 P CA 1.724 64.634 63.100 -0.317 0.000 0.834 434 P CB -0.167 31.266 31.700 -0.445 0.000 0.783 435 Y N -2.048 118.116 120.300 -0.226 0.000 2.511 435 Y HA 0.121 4.674 4.550 0.005 0.000 0.279 435 Y C 2.115 177.828 175.900 -0.311 0.000 1.157 435 Y CA 0.103 58.074 58.100 -0.214 0.000 1.300 435 Y CB -0.788 37.559 38.460 -0.188 0.000 1.052 435 Y HN -0.109 nan 8.280 nan 0.000 0.529 436 L N 0.381 121.354 121.223 -0.417 0.000 2.109 436 L HA -0.052 4.291 4.340 0.005 0.000 0.207 436 L C -0.651 175.966 176.870 -0.422 0.000 1.086 436 L CA 0.567 54.966 54.840 -0.735 0.000 0.760 436 L CB -1.341 39.716 42.059 -1.669 0.000 0.910 436 L HN 0.102 nan 8.230 nan 0.000 0.437 437 P HA -0.140 nan 4.420 nan 0.000 0.229 437 P C 0.628 178.072 177.300 0.241 0.000 1.150 437 P CA 1.147 64.398 63.100 0.251 0.000 0.765 437 P CB 0.152 32.010 31.700 0.262 0.000 0.783 438 E N -1.697 118.568 120.200 0.109 0.000 2.290 438 E HA 0.126 4.479 4.350 0.005 0.000 0.199 438 E C 1.754 178.429 176.600 0.125 0.000 0.912 438 E CA 0.214 56.691 56.400 0.127 0.000 0.924 438 E CB -0.819 28.939 29.700 0.096 0.000 0.901 438 E HN 0.125 nan 8.360 nan 0.000 0.487 439 L N 0.774 122.016 121.223 0.030 0.000 2.109 439 L HA -0.057 4.286 4.340 0.005 0.000 0.207 439 L C 1.856 178.769 176.870 0.072 0.000 1.086 439 L CA 0.485 55.323 54.840 -0.004 0.000 0.760 439 L CB -0.196 41.765 42.059 -0.163 0.000 0.910 439 L HN 0.186 nan 8.230 nan 0.000 0.437 440 I N 0.415 121.034 120.570 0.082 0.000 2.142 440 I HA -0.156 4.018 4.170 0.005 0.000 0.240 440 I C -0.090 176.168 176.117 0.235 0.000 1.078 440 I CA 1.663 63.072 61.300 0.182 0.000 1.343 440 I CB -2.563 35.621 38.000 0.308 0.000 1.046 440 I HN 0.156 nan 8.210 nan 0.000 0.405 441 P HA -0.165 nan 4.420 nan 0.000 0.219 441 P C 1.665 179.063 177.300 0.163 0.000 1.146 441 P CA 1.517 64.729 63.100 0.187 0.000 0.808 441 P CB -0.144 31.656 31.700 0.166 0.000 0.779 442 H N -0.286 118.844 119.070 0.101 0.000 2.293 442 H HA -0.053 4.506 4.556 0.005 0.000 0.300 442 H C 1.819 177.184 175.328 0.061 0.000 1.082 442 H CA 1.532 57.631 56.048 0.086 0.000 1.308 442 H CB -0.934 28.873 29.762 0.074 0.000 1.375 442 H HN -0.052 nan 8.280 nan 0.000 0.495 443 L N -0.183 121.088 121.223 0.081 0.000 2.046 443 L HA -0.158 4.185 4.340 0.005 0.000 0.208 443 L C 2.534 179.411 176.870 0.012 0.000 1.077 443 L CA 1.302 56.158 54.840 0.026 0.000 0.747 443 L CB -0.399 41.715 42.059 0.092 0.000 0.896 443 L HN 0.361 nan 8.230 nan 0.000 0.432 444 I N -0.497 120.104 120.570 0.052 0.000 2.248 444 I HA -0.347 3.826 4.170 0.005 0.000 0.248 444 I C 2.657 178.777 176.117 0.005 0.000 1.107 444 I CA 1.210 62.537 61.300 0.045 0.000 1.373 444 I CB -0.192 37.847 38.000 0.064 0.000 1.055 444 I HN 0.328 nan 8.210 nan 0.000 0.418 445 Q N 0.258 120.041 119.800 -0.028 0.000 2.079 445 Q HA -0.155 4.188 4.340 0.005 0.000 0.200 445 Q C 2.306 178.262 176.000 -0.072 0.000 0.974 445 Q CA 1.723 57.496 55.803 -0.050 0.000 0.840 445 Q CB -0.306 28.395 28.738 -0.062 0.000 0.898 445 Q HN 0.544 nan 8.270 nan 0.000 0.430 446 C N 0.051 119.275 119.300 -0.127 0.000 2.419 446 C HA -0.049 4.414 4.460 0.005 0.000 0.283 446 C C 2.183 177.164 174.990 -0.015 0.000 1.373 446 C CA 0.261 59.227 59.018 -0.087 0.000 1.781 446 C CB -1.232 26.444 27.740 -0.107 0.000 1.886 446 C HN 0.494 nan 8.230 nan 0.000 0.520 447 L N 0.812 122.036 121.223 0.001 0.000 2.450 447 L HA -0.083 4.260 4.340 0.005 0.000 0.224 447 L C 1.891 178.768 176.870 0.012 0.000 1.149 447 L CA 1.041 55.895 54.840 0.024 0.000 0.816 447 L CB -0.369 41.713 42.059 0.037 0.000 0.932 447 L HN 0.303 nan 8.230 nan 0.000 0.449 448 S N -2.298 113.401 115.700 -0.002 0.000 2.578 448 S HA 0.050 4.524 4.470 0.005 0.000 0.231 448 S C 0.445 175.038 174.600 -0.011 0.000 0.994 448 S CA -0.494 57.703 58.200 -0.006 0.000 0.956 448 S CB -0.083 63.112 63.200 -0.007 0.000 0.870 448 S HN 0.325 nan 8.310 nan 0.000 0.494 449 D N 2.772 123.167 120.400 -0.010 0.000 2.423 449 D HA -0.014 4.629 4.640 0.005 0.000 0.238 449 D C 1.050 177.328 176.300 -0.037 0.000 1.142 449 D CA 0.278 54.271 54.000 -0.011 0.000 0.884 449 D CB 0.908 41.712 40.800 0.007 0.000 1.199 449 D HN 0.307 nan 8.370 nan 0.000 0.438 450 K N 2.456 122.823 120.400 -0.056 0.000 2.217 450 K HA -0.033 4.290 4.320 0.005 0.000 0.202 450 K C 0.464 176.973 176.600 -0.152 0.000 1.051 450 K CA 0.550 56.785 56.287 -0.087 0.000 0.952 450 K CB 0.101 32.553 32.500 -0.081 0.000 0.736 450 K HN 0.137 nan 8.250 nan 0.000 0.453 451 K N 1.436 121.706 120.400 -0.217 0.000 2.349 451 K HA 0.169 4.492 4.320 0.005 0.000 0.289 451 K C 0.854 177.326 176.600 -0.213 0.000 1.064 451 K CA 0.332 56.399 56.287 -0.368 0.000 0.947 451 K CB 1.447 33.542 32.500 -0.675 0.000 1.007 451 K HN 0.180 nan 8.250 nan 0.000 0.478 452 A N 4.387 127.092 122.820 -0.192 0.000 1.917 452 A HA -0.173 4.151 4.320 0.005 0.000 0.219 452 A C 1.970 179.535 177.584 -0.032 0.000 1.182 452 A CA 1.427 53.408 52.037 -0.092 0.000 0.633 452 A CB -0.433 18.514 19.000 -0.088 0.000 0.819 452 A HN 0.718 nan 8.150 nan 0.000 0.448 453 L N -0.595 120.609 121.223 -0.033 0.000 2.275 453 L HA -0.113 4.230 4.340 0.005 0.000 0.215 453 L C 2.348 179.341 176.870 0.204 0.000 1.119 453 L CA 0.474 55.388 54.840 0.123 0.000 0.790 453 L CB -0.330 41.861 42.059 0.220 0.000 0.919 453 L HN 0.260 nan 8.230 nan 0.000 0.443 454 V N -0.226 119.779 119.914 0.151 0.000 2.323 454 V HA -0.201 3.923 4.120 0.005 0.000 0.244 454 V C 2.544 178.708 176.094 0.116 0.000 1.041 454 V CA 1.487 63.888 62.300 0.168 0.000 1.025 454 V CB -0.491 31.421 31.823 0.148 0.000 0.656 454 V HN 0.429 nan 8.190 nan 0.000 0.451 455 R N -0.158 120.384 120.500 0.070 0.000 2.105 455 R HA -0.139 4.204 4.340 0.005 0.000 0.239 455 R C 2.569 178.928 176.300 0.099 0.000 1.135 455 R CA 1.546 57.686 56.100 0.067 0.000 0.967 455 R CB -0.669 29.653 30.300 0.037 0.000 0.861 455 R HN 0.414 nan 8.270 nan 0.000 0.442 456 S N 1.425 117.186 115.700 0.102 0.000 2.444 456 S HA -0.187 4.286 4.470 0.005 0.000 0.225 456 S C 1.969 176.671 174.600 0.169 0.000 1.042 456 S CA 2.089 60.361 58.200 0.121 0.000 1.132 456 S CB -0.255 63.014 63.200 0.115 0.000 1.099 456 S HN 0.284 nan 8.310 nan 0.000 0.417 457 I N 1.067 121.749 120.570 0.186 0.000 2.567 457 I HA -0.073 4.100 4.170 0.005 0.000 0.257 457 I C 2.137 178.432 176.117 0.296 0.000 1.184 457 I CA 1.179 62.633 61.300 0.257 0.000 1.451 457 I CB -1.582 36.548 38.000 0.216 0.000 1.089 457 I HN 0.159 nan 8.210 nan 0.000 0.441 458 T N 0.171 114.848 114.554 0.205 0.000 2.746 458 T HA -0.184 4.169 4.350 0.005 0.000 0.267 458 T C 2.088 176.893 174.700 0.174 0.000 1.039 458 T CA 1.850 64.050 62.100 0.168 0.000 1.142 458 T CB -0.790 68.146 68.868 0.113 0.000 0.866 458 T HN 0.484 nan 8.240 nan 0.000 0.444 459 C N 0.115 119.524 119.300 0.183 0.000 2.393 459 C HA -0.128 4.335 4.460 0.005 0.000 0.276 459 C C 2.416 177.539 174.990 0.221 0.000 1.215 459 C CA 0.274 59.404 59.018 0.186 0.000 1.743 459 C CB -1.373 26.479 27.740 0.187 0.000 2.044 459 C HN 0.796 nan 8.230 nan 0.000 0.464 460 W N 1.423 122.771 121.300 0.079 0.000 2.355 460 W HA -0.154 4.509 4.660 0.004 0.000 0.309 460 W C 2.463 179.023 176.519 0.067 0.000 1.206 460 W CA 2.286 59.671 57.345 0.066 0.000 1.284 460 W CB -0.753 28.740 29.460 0.054 0.000 1.145 460 W HN 0.212 nan 8.180 nan 0.000 0.502 461 T N 1.369 115.983 114.554 0.101 0.000 2.777 461 T HA -0.200 4.153 4.350 0.005 0.000 0.266 461 T C 1.943 176.637 174.700 -0.009 0.000 1.040 461 T CA 1.760 63.815 62.100 -0.076 0.000 1.141 461 T CB -0.588 68.367 68.868 0.146 0.000 0.868 461 T HN 0.108 nan 8.240 nan 0.000 0.444 462 L N 1.510 122.781 121.223 0.080 0.000 2.042 462 L HA -0.138 4.206 4.340 0.005 0.000 0.210 462 L C 2.869 179.771 176.870 0.053 0.000 1.076 462 L CA 1.525 56.437 54.840 0.121 0.000 0.749 462 L CB -0.626 41.507 42.059 0.123 0.000 0.893 462 L HN 0.375 nan 8.230 nan 0.000 0.432 463 S N -0.326 115.350 115.700 -0.040 0.000 2.419 463 S HA -0.165 4.308 4.470 0.005 0.000 0.233 463 S C 1.995 176.475 174.600 -0.200 0.000 1.016 463 S CA 0.672 58.823 58.200 -0.082 0.000 0.974 463 S CB -0.326 62.834 63.200 -0.065 0.000 0.786 463 S HN 0.388 nan 8.310 nan 0.000 0.492 464 R N -0.726 119.541 120.500 -0.389 0.000 2.307 464 R HA 0.124 4.467 4.340 0.005 0.000 0.199 464 R C 0.396 176.345 176.300 -0.585 0.000 1.000 464 R CA 0.714 56.471 56.100 -0.571 0.000 1.023 464 R CB -0.157 29.607 30.300 -0.892 0.000 0.908 464 R HN 0.606 nan 8.270 nan 0.000 0.473 465 Y N -1.222 119.021 120.300 -0.094 0.000 2.612 465 Y HA 0.277 4.830 4.550 0.006 0.000 0.250 465 Y C 1.777 177.735 175.900 0.097 0.000 1.175 465 Y CA -0.277 57.827 58.100 0.007 0.000 1.205 465 Y CB 0.544 38.998 38.460 -0.011 0.000 1.201 465 Y HN -0.004 nan 8.280 nan 0.000 0.532 466 A N -0.020 122.880 122.820 0.133 0.000 1.917 466 A HA -0.334 3.989 4.320 0.005 0.000 0.219 466 A C 1.828 179.482 177.584 0.118 0.000 1.182 466 A CA 2.503 54.601 52.037 0.102 0.000 0.633 466 A CB -0.815 18.202 19.000 0.030 0.000 0.819 466 A HN 0.630 nan 8.150 nan 0.000 0.448 467 H N -2.368 116.738 119.070 0.060 0.000 2.319 467 H HA -0.232 4.328 4.556 0.007 0.000 0.299 467 H C 1.760 177.148 175.328 0.100 0.000 1.092 467 H CA 2.536 58.617 56.048 0.055 0.000 1.302 467 H CB -0.403 29.385 29.762 0.042 0.000 1.373 467 H HN 0.699 nan 8.280 nan 0.000 0.497 468 W N 0.434 121.759 121.300 0.042 0.000 2.355 468 W HA -0.210 4.453 4.660 0.005 0.000 0.309 468 W C 2.298 178.750 176.519 -0.113 0.000 1.206 468 W CA 2.126 59.450 57.345 -0.035 0.000 1.284 468 W CB -0.733 28.737 29.460 0.017 0.000 1.145 468 W HN 0.051 nan 8.180 nan 0.000 0.502 469 V N 1.213 121.146 119.914 0.030 0.000 2.324 469 V HA -0.369 3.755 4.120 0.005 0.000 0.250 469 V C 2.263 178.219 176.094 -0.231 0.000 1.060 469 V CA 2.581 64.795 62.300 -0.144 0.000 1.042 469 V CB -1.646 30.224 31.823 0.080 0.000 0.650 469 V HN 0.316 nan 8.190 nan 0.000 0.450 470 V N -0.703 119.098 119.914 -0.187 0.000 2.809 470 V HA -0.040 4.084 4.120 0.005 0.000 0.256 470 V C 2.037 177.978 176.094 -0.254 0.000 1.080 470 V CA 1.501 63.688 62.300 -0.188 0.000 1.102 470 V CB -0.811 30.918 31.823 -0.155 0.000 0.705 470 V HN 0.630 nan 8.190 nan 0.000 0.475 471 S N -0.347 115.137 115.700 -0.361 0.000 2.803 471 S HA 0.228 4.701 4.470 0.005 0.000 0.228 471 S C 0.548 174.921 174.600 -0.378 0.000 0.953 471 S CA -0.376 57.615 58.200 -0.349 0.000 0.983 471 S CB -0.571 62.419 63.200 -0.351 0.000 0.784 471 S HN 0.759 nan 8.310 nan 0.000 0.498 472 Q N 0.737 120.317 119.800 -0.367 0.000 2.451 472 Q HA 0.457 4.801 4.340 0.005 0.000 0.281 472 Q C -3.123 172.791 176.000 -0.144 0.000 1.099 472 Q CA -2.466 53.146 55.803 -0.319 0.000 0.806 472 Q CB 0.841 29.287 28.738 -0.487 0.000 1.419 472 Q HN 0.086 nan 8.270 nan 0.000 0.427 473 P HA -0.027 nan 4.420 nan 0.000 0.260 473 P C -1.772 175.520 177.300 -0.012 0.000 1.185 473 P CA -0.487 62.591 63.100 -0.036 0.000 0.763 473 P CB 0.129 31.816 31.700 -0.021 0.000 0.776 474 P HA -0.172 nan 4.420 nan 0.000 0.220 474 P C 0.590 177.890 177.300 0.001 0.000 1.148 474 P CA 1.320 64.427 63.100 0.010 0.000 0.803 474 P CB 0.203 31.932 31.700 0.048 0.000 0.782 475 D N -0.467 119.927 120.400 -0.010 0.000 2.218 475 D HA -0.105 4.538 4.640 0.005 0.000 0.204 475 D C 1.972 178.212 176.300 -0.100 0.000 0.976 475 D CA 1.874 55.851 54.000 -0.038 0.000 0.853 475 D CB -0.447 40.336 40.800 -0.030 0.000 0.939 475 D HN 0.320 nan 8.370 nan 0.000 0.481 476 T N -3.373 111.096 114.554 -0.143 0.000 3.039 476 T HA 0.035 4.388 4.350 0.005 0.000 0.250 476 T C 1.447 175.812 174.700 -0.559 0.000 1.052 476 T CA 0.407 62.294 62.100 -0.354 0.000 1.125 476 T CB -0.140 68.473 68.868 -0.426 0.000 0.908 476 T HN 0.191 nan 8.240 nan 0.000 0.473 477 Y N -0.580 119.690 120.300 -0.049 0.000 2.701 477 Y HA 0.482 5.036 4.550 0.006 0.000 0.275 477 Y C 1.879 177.757 175.900 -0.037 0.000 1.133 477 Y CA -0.603 57.480 58.100 -0.029 0.000 1.241 477 Y CB 0.053 38.479 38.460 -0.056 0.000 1.389 477 Y HN 0.082 nan 8.280 nan 0.000 0.486 478 L N 0.936 122.207 121.223 0.079 0.000 2.068 478 L HA -0.014 4.329 4.340 0.005 0.000 0.204 478 L C 2.152 178.986 176.870 -0.061 0.000 1.076 478 L CA 1.877 56.724 54.840 0.012 0.000 0.753 478 L CB -0.524 41.532 42.059 -0.005 0.000 0.910 478 L HN 0.002 nan 8.230 nan 0.000 0.439 479 K N -0.451 119.885 120.400 -0.105 0.000 2.009 479 K HA -0.142 4.182 4.320 0.005 0.000 0.210 479 K C -0.374 176.123 176.600 -0.171 0.000 1.049 479 K CA 2.095 58.249 56.287 -0.222 0.000 0.929 479 K CB -1.078 31.314 32.500 -0.181 0.000 0.714 479 K HN 0.331 nan 8.250 nan 0.000 0.440 480 P HA -0.137 nan 4.420 nan 0.000 0.217 480 P C 1.286 178.570 177.300 -0.027 0.000 1.151 480 P CA 0.751 63.808 63.100 -0.072 0.000 0.828 480 P CB 0.026 31.689 31.700 -0.063 0.000 0.788 481 L N -1.048 120.181 121.223 0.010 0.000 1.989 481 L HA -0.144 4.199 4.340 0.005 0.000 0.211 481 L C 2.415 179.325 176.870 0.067 0.000 1.071 481 L CA 1.986 56.859 54.840 0.056 0.000 0.749 481 L CB -1.303 40.807 42.059 0.085 0.000 0.890 481 L HN -0.124 nan 8.230 nan 0.000 0.431 482 M N -1.252 118.372 119.600 0.041 0.000 2.080 482 M HA -0.266 4.217 4.480 0.005 0.000 0.260 482 M C 2.048 178.383 176.300 0.058 0.000 1.068 482 M CA 2.563 57.932 55.300 0.116 0.000 1.109 482 M CB -0.369 32.227 32.600 -0.007 0.000 1.342 482 M HN 0.432 nan 8.290 nan 0.000 0.405 483 T N 0.192 114.715 114.554 -0.052 0.000 2.665 483 T HA -0.168 4.185 4.350 0.005 0.000 0.268 483 T C 1.571 176.252 174.700 -0.032 0.000 1.035 483 T CA 1.550 63.605 62.100 -0.075 0.000 1.151 483 T CB -0.374 68.431 68.868 -0.106 0.000 0.862 483 T HN 0.427 nan 8.240 nan 0.000 0.438 484 E N 0.519 120.717 120.200 -0.004 0.000 2.158 484 E HA 0.073 4.427 4.350 0.005 0.000 0.191 484 E C 2.200 178.819 176.600 0.030 0.000 0.982 484 E CA 0.299 56.705 56.400 0.010 0.000 0.823 484 E CB -0.316 29.395 29.700 0.018 0.000 0.766 484 E HN 0.277 nan 8.360 nan 0.000 0.468 485 L N 0.802 122.064 121.223 0.065 0.000 2.056 485 L HA -0.095 4.248 4.340 0.005 0.000 0.207 485 L C 2.378 179.244 176.870 -0.007 0.000 1.078 485 L CA 1.236 56.133 54.840 0.095 0.000 0.749 485 L CB -1.011 41.196 42.059 0.246 0.000 0.901 485 L HN 0.109 nan 8.230 nan 0.000 0.433 486 L N -0.955 120.215 121.223 -0.087 0.000 2.042 486 L HA -0.279 4.065 4.340 0.005 0.000 0.210 486 L C 2.541 179.361 176.870 -0.083 0.000 1.076 486 L CA 1.336 56.066 54.840 -0.184 0.000 0.749 486 L CB -0.470 41.489 42.059 -0.165 0.000 0.893 486 L HN 0.264 nan 8.230 nan 0.000 0.432 487 K N -0.415 119.962 120.400 -0.039 0.000 2.057 487 K HA -0.216 4.108 4.320 0.005 0.000 0.207 487 K C 2.277 178.880 176.600 0.005 0.000 1.049 487 K CA 1.306 57.583 56.287 -0.017 0.000 0.931 487 K CB -0.127 32.366 32.500 -0.011 0.000 0.714 487 K HN 0.027 nan 8.250 nan 0.000 0.440 488 R N 1.135 121.645 120.500 0.017 0.000 2.148 488 R HA 0.057 4.400 4.340 0.005 0.000 0.223 488 R C 1.919 178.260 176.300 0.069 0.000 1.088 488 R CA 0.759 56.886 56.100 0.044 0.000 0.985 488 R CB -0.266 30.069 30.300 0.057 0.000 0.880 488 R HN 0.175 nan 8.270 nan 0.000 0.451 489 I N -0.262 120.341 120.570 0.055 0.000 2.423 489 I HA -0.244 3.929 4.170 0.005 0.000 0.254 489 I C 0.645 176.871 176.117 0.182 0.000 1.151 489 I CA 0.804 62.171 61.300 0.110 0.000 1.421 489 I CB 0.042 38.037 38.000 -0.007 0.000 1.079 489 I HN 0.101 nan 8.210 nan 0.000 0.431 490 L N -0.122 121.171 121.223 0.115 0.000 2.818 490 L HA 0.201 4.544 4.340 0.005 0.000 0.243 490 L C 0.653 177.595 176.870 0.120 0.000 1.185 490 L CA 0.258 55.187 54.840 0.149 0.000 0.988 490 L CB -0.864 41.256 42.059 0.101 0.000 1.292 490 L HN 0.084 nan 8.230 nan 0.000 0.519 491 D N -0.516 119.941 120.400 0.096 0.000 2.478 491 D HA -0.090 4.553 4.640 0.005 0.000 0.234 491 D C 1.188 177.524 176.300 0.060 0.000 1.154 491 D CA 0.665 54.701 54.000 0.061 0.000 0.874 491 D CB 1.361 42.189 40.800 0.046 0.000 1.198 491 D HN 0.307 nan 8.370 nan 0.000 0.455 492 S N 2.589 118.310 115.700 0.036 0.000 2.474 492 S HA -0.138 4.335 4.470 0.005 0.000 0.235 492 S C 0.929 175.534 174.600 0.009 0.000 0.997 492 S CA 0.031 58.248 58.200 0.028 0.000 0.949 492 S CB 0.027 63.236 63.200 0.014 0.000 0.766 492 S HN 0.513 nan 8.310 nan 0.000 0.517 493 N N 1.429 120.128 118.700 -0.001 0.000 2.422 493 N HA 0.208 4.952 4.740 0.005 0.000 0.266 493 N C 0.445 175.936 175.510 -0.031 0.000 1.007 493 N CA -0.201 52.838 53.050 -0.019 0.000 0.941 493 N CB 1.095 39.568 38.487 -0.024 0.000 1.115 493 N HN 0.167 nan 8.380 nan 0.000 0.492 494 K N 2.208 122.578 120.400 -0.051 0.000 2.074 494 K HA -0.200 4.123 4.320 0.005 0.000 0.209 494 K C 1.673 178.220 176.600 -0.087 0.000 1.048 494 K CA 1.506 57.738 56.287 -0.091 0.000 0.926 494 K CB 0.075 32.525 32.500 -0.083 0.000 0.713 494 K HN 0.371 nan 8.250 nan 0.000 0.444 495 R N 0.919 121.389 120.500 -0.050 0.000 2.092 495 R HA -0.061 4.282 4.340 0.005 0.000 0.231 495 R C 1.795 178.091 176.300 -0.007 0.000 1.119 495 R CA 1.173 57.255 56.100 -0.029 0.000 0.970 495 R CB -0.508 29.783 30.300 -0.015 0.000 0.864 495 R HN -0.008 nan 8.270 nan 0.000 0.440 496 V N 1.018 120.932 119.914 -0.001 0.000 2.343 496 V HA -0.260 3.863 4.120 0.005 0.000 0.247 496 V C 2.215 178.330 176.094 0.034 0.000 1.051 496 V CA 2.130 64.446 62.300 0.027 0.000 1.036 496 V CB -0.597 31.241 31.823 0.026 0.000 0.654 496 V HN 0.404 nan 8.190 nan 0.000 0.451 497 Q N 0.037 119.836 119.800 -0.002 0.000 2.050 497 Q HA -0.272 4.071 4.340 0.005 0.000 0.202 497 Q C 2.344 178.335 176.000 -0.014 0.000 0.980 497 Q CA 1.993 57.796 55.803 0.001 0.000 0.840 497 Q CB -0.307 28.336 28.738 -0.158 0.000 0.898 497 Q HN 0.762 nan 8.270 nan 0.000 0.424 498 E N 0.664 120.817 120.200 -0.078 0.000 2.070 498 E HA -0.272 4.081 4.350 0.005 0.000 0.197 498 E C 1.923 178.556 176.600 0.055 0.000 1.004 498 E CA 1.319 57.699 56.400 -0.034 0.000 0.805 498 E CB -0.134 29.540 29.700 -0.044 0.000 0.744 498 E HN 0.364 nan 8.360 nan 0.000 0.451 499 A N 0.936 123.799 122.820 0.071 0.000 1.898 499 A HA -0.012 4.311 4.320 0.005 0.000 0.216 499 A C 2.383 180.064 177.584 0.162 0.000 1.181 499 A CA 1.730 53.844 52.037 0.129 0.000 0.620 499 A CB -0.726 18.351 19.000 0.129 0.000 0.819 499 A HN 0.437 nan 8.150 nan 0.000 0.442 500 A N -1.304 121.601 122.820 0.142 0.000 1.898 500 A HA -0.175 4.148 4.320 0.005 0.000 0.216 500 A C 2.355 180.060 177.584 0.203 0.000 1.181 500 A CA 1.579 53.713 52.037 0.161 0.000 0.620 500 A CB -1.330 17.747 19.000 0.128 0.000 0.819 500 A HN 0.613 nan 8.150 nan 0.000 0.442 501 C N -0.780 118.640 119.300 0.200 0.000 2.429 501 C HA -0.046 4.418 4.460 0.005 0.000 0.277 501 C C 3.260 178.397 174.990 0.244 0.000 1.262 501 C CA 1.555 60.716 59.018 0.237 0.000 1.733 501 C CB -1.201 26.700 27.740 0.269 0.000 2.010 501 C HN 0.599 nan 8.230 nan 0.000 0.483 502 S N 0.525 116.344 115.700 0.200 0.000 2.348 502 S HA -0.114 4.359 4.470 0.005 0.000 0.221 502 S C 2.164 176.878 174.600 0.191 0.000 1.033 502 S CA 1.412 59.724 58.200 0.186 0.000 1.010 502 S CB -0.590 62.720 63.200 0.184 0.000 0.891 502 S HN 0.776 nan 8.310 nan 0.000 0.442 503 A N 1.024 123.968 122.820 0.206 0.000 1.892 503 A HA -0.153 4.170 4.320 0.005 0.000 0.218 503 A C 1.924 179.610 177.584 0.171 0.000 1.188 503 A CA 1.733 53.875 52.037 0.175 0.000 0.631 503 A CB -1.047 18.064 19.000 0.186 0.000 0.822 503 A HN 0.480 nan 8.150 nan 0.000 0.447 504 F N 0.744 120.744 119.950 0.083 0.000 2.161 504 F HA -0.133 4.397 4.527 0.006 0.000 0.300 504 F C 2.571 178.410 175.800 0.065 0.000 1.089 504 F CA 1.131 59.173 58.000 0.069 0.000 1.282 504 F CB -0.367 38.675 39.000 0.071 0.000 1.010 504 F HN 0.266 nan 8.300 nan 0.000 0.485 505 A N -0.764 122.158 122.820 0.169 0.000 1.877 505 A HA -0.192 4.132 4.320 0.005 0.000 0.216 505 A C 2.218 179.800 177.584 -0.002 0.000 1.186 505 A CA 2.313 54.400 52.037 0.084 0.000 0.620 505 A CB -1.430 17.650 19.000 0.133 0.000 0.822 505 A HN 0.395 nan 8.150 nan 0.000 0.443 506 T N 0.114 114.679 114.554 0.018 0.000 2.684 506 T HA -0.173 4.180 4.350 0.005 0.000 0.267 506 T C 1.825 176.491 174.700 -0.057 0.000 1.036 506 T CA 1.660 63.756 62.100 -0.007 0.000 1.148 506 T CB -0.400 68.472 68.868 0.007 0.000 0.863 506 T HN 0.309 nan 8.240 nan 0.000 0.436 507 L N 1.272 122.430 121.223 -0.108 0.000 2.083 507 L HA -0.029 4.314 4.340 0.005 0.000 0.209 507 L C 2.259 178.991 176.870 -0.229 0.000 1.083 507 L CA 1.742 56.481 54.840 -0.168 0.000 0.752 507 L CB -0.613 41.311 42.059 -0.225 0.000 0.899 507 L HN 0.280 nan 8.230 nan 0.000 0.433 508 E N -0.635 119.381 120.200 -0.307 0.000 2.110 508 E HA -0.222 4.131 4.350 0.005 0.000 0.193 508 E C 2.010 178.544 176.600 -0.110 0.000 0.988 508 E CA 1.331 57.583 56.400 -0.247 0.000 0.804 508 E CB -0.098 29.472 29.700 -0.218 0.000 0.745 508 E HN 0.616 nan 8.360 nan 0.000 0.458 509 E N 0.490 120.647 120.200 -0.071 0.000 2.110 509 E HA -0.178 4.175 4.350 0.005 0.000 0.193 509 E C 1.920 178.506 176.600 -0.023 0.000 0.988 509 E CA 0.743 57.124 56.400 -0.031 0.000 0.804 509 E CB 0.097 29.789 29.700 -0.014 0.000 0.745 509 E HN 0.220 nan 8.360 nan 0.000 0.458 510 E N -0.103 120.078 120.200 -0.032 0.000 2.190 510 E HA -0.006 4.348 4.350 0.005 0.000 0.191 510 E C 1.830 178.401 176.600 -0.048 0.000 0.978 510 E CA 0.547 56.939 56.400 -0.013 0.000 0.839 510 E CB 0.215 29.917 29.700 0.002 0.000 0.787 510 E HN 0.166 nan 8.360 nan 0.000 0.473 511 A N 0.627 123.404 122.820 -0.071 0.000 1.903 511 A HA 0.004 4.328 4.320 0.005 0.000 0.213 511 A C 1.570 179.126 177.584 -0.047 0.000 1.185 511 A CA 0.786 52.782 52.037 -0.068 0.000 0.628 511 A CB -0.377 18.571 19.000 -0.087 0.000 0.830 511 A HN 0.301 nan 8.150 nan 0.000 0.446 512 C N -2.302 116.973 119.300 -0.042 0.000 0.168 512 C HA -0.293 4.170 4.460 0.005 0.000 0.017 512 C C 2.555 177.534 174.990 -0.019 0.000 0.171 512 C CA 2.195 61.202 59.018 -0.019 0.000 0.499 512 C CB -1.847 25.890 27.740 -0.005 0.000 3.212 512 C HN 0.928 nan 8.230 nan 0.000 1.118 513 T N -0.101 114.446 114.554 -0.011 0.000 2.946 513 T HA -0.137 4.216 4.350 0.005 0.000 0.271 513 T C 0.950 175.598 174.700 -0.087 0.000 1.104 513 T CA 1.922 63.992 62.100 -0.051 0.000 1.114 513 T CB -0.340 68.512 68.868 -0.026 0.000 0.867 513 T HN 0.689 nan 8.240 nan 0.000 0.513 514 E N 0.822 120.994 120.200 -0.046 0.000 2.510 514 E HA 0.072 4.425 4.350 0.005 0.000 0.202 514 E C 1.614 178.237 176.600 0.038 0.000 1.072 514 E CA 0.372 56.758 56.400 -0.022 0.000 0.883 514 E CB -0.210 29.488 29.700 -0.004 0.000 0.818 514 E HN 0.617 nan 8.360 nan 0.000 0.548 515 L N -1.004 120.229 121.223 0.017 0.000 2.556 515 L HA 0.009 4.353 4.340 0.005 0.000 0.226 515 L C 2.131 178.990 176.870 -0.018 0.000 1.089 515 L CA -0.047 54.859 54.840 0.110 0.000 0.864 515 L CB 0.124 42.223 42.059 0.067 0.000 1.067 515 L HN -0.086 nan 8.230 nan 0.000 0.477 516 V N 1.318 121.143 119.914 -0.148 0.000 2.250 516 V HA -0.241 3.882 4.120 0.005 0.000 0.253 516 V C -0.179 175.777 176.094 -0.229 0.000 1.065 516 V CA 2.354 64.522 62.300 -0.220 0.000 1.039 516 V CB -1.537 30.049 31.823 -0.394 0.000 0.647 516 V HN 0.371 nan 8.190 nan 0.000 0.446 517 P HA -0.127 nan 4.420 nan 0.000 0.222 517 P C 0.916 178.001 177.300 -0.358 0.000 1.147 517 P CA 1.407 64.234 63.100 -0.455 0.000 0.790 517 P CB -0.133 31.123 31.700 -0.739 0.000 0.780 518 Y N -1.959 118.364 120.300 0.039 0.000 2.468 518 Y HA 0.200 4.753 4.550 0.005 0.000 0.268 518 Y C 1.978 177.943 175.900 0.108 0.000 1.177 518 Y CA -0.434 57.720 58.100 0.090 0.000 1.265 518 Y CB -0.643 37.852 38.460 0.057 0.000 1.103 518 Y HN -0.164 nan 8.280 nan 0.000 0.522 519 L N 0.014 121.285 121.223 0.080 0.000 2.081 519 L HA -0.299 4.044 4.340 0.005 0.000 0.212 519 L C 2.653 179.474 176.870 -0.082 0.000 1.080 519 L CA 1.295 56.053 54.840 -0.137 0.000 0.754 519 L CB -0.496 41.208 42.059 -0.592 0.000 0.893 519 L HN 0.410 nan 8.230 nan 0.000 0.433 520 A N -0.772 122.130 122.820 0.136 0.000 1.908 520 A HA -0.251 4.072 4.320 0.005 0.000 0.218 520 A C 1.994 179.608 177.584 0.049 0.000 1.181 520 A CA 1.636 53.779 52.037 0.178 0.000 0.627 520 A CB -0.802 18.298 19.000 0.167 0.000 0.818 520 A HN 0.376 nan 8.150 nan 0.000 0.445 521 Y N -0.331 120.018 120.300 0.081 0.000 2.184 521 Y HA -0.055 4.499 4.550 0.005 0.000 0.290 521 Y C 2.264 178.169 175.900 0.009 0.000 1.129 521 Y CA 1.327 59.456 58.100 0.047 0.000 1.144 521 Y CB -0.329 38.169 38.460 0.063 0.000 0.995 521 Y HN 0.194 nan 8.280 nan 0.000 0.513 522 I N -0.391 120.289 120.570 0.184 0.000 2.127 522 I HA -0.356 3.817 4.170 0.005 0.000 0.241 522 I C 2.156 178.281 176.117 0.013 0.000 1.075 522 I CA 1.533 62.880 61.300 0.078 0.000 1.334 522 I CB -0.594 37.513 38.000 0.178 0.000 1.040 522 I HN 0.196 nan 8.210 nan 0.000 0.405 523 L N 0.126 121.356 121.223 0.012 0.000 2.083 523 L HA -0.256 4.088 4.340 0.005 0.000 0.209 523 L C 2.345 179.220 176.870 0.007 0.000 1.083 523 L CA 1.278 56.117 54.840 -0.001 0.000 0.752 523 L CB -0.671 41.383 42.059 -0.009 0.000 0.899 523 L HN 0.330 nan 8.230 nan 0.000 0.433 524 D N -0.162 120.242 120.400 0.006 0.000 2.103 524 D HA -0.242 4.402 4.640 0.005 0.000 0.190 524 D C 2.213 178.524 176.300 0.019 0.000 0.997 524 D CA 2.261 56.260 54.000 -0.002 0.000 0.833 524 D CB -0.038 40.727 40.800 -0.058 0.000 0.961 524 D HN 0.340 nan 8.370 nan 0.000 0.447 525 T N -1.294 113.257 114.554 -0.006 0.000 2.904 525 T HA -0.050 4.303 4.350 0.005 0.000 0.267 525 T C 2.482 177.174 174.700 -0.014 0.000 1.059 525 T CA 0.820 62.916 62.100 -0.007 0.000 1.137 525 T CB -0.518 68.313 68.868 -0.062 0.000 0.879 525 T HN 0.174 nan 8.240 nan 0.000 0.467 526 L N 1.618 122.811 121.223 -0.050 0.000 2.017 526 L HA -0.035 4.308 4.340 0.005 0.000 0.208 526 L C 3.075 179.937 176.870 -0.014 0.000 1.073 526 L CA 1.744 56.549 54.840 -0.059 0.000 0.745 526 L CB -0.790 41.254 42.059 -0.025 0.000 0.894 526 L HN 0.375 nan 8.230 nan 0.000 0.432 527 V N -3.637 116.287 119.914 0.017 0.000 2.515 527 V HA -0.261 3.863 4.120 0.005 0.000 0.250 527 V C 2.272 178.411 176.094 0.075 0.000 1.058 527 V CA 1.279 63.595 62.300 0.026 0.000 1.064 527 V CB -0.982 30.832 31.823 -0.015 0.000 0.675 527 V HN 0.297 nan 8.190 nan 0.000 0.461 528 F N 2.232 122.152 119.950 -0.049 0.000 2.113 528 F HA 0.132 4.663 4.527 0.005 0.000 0.297 528 F C 2.503 178.248 175.800 -0.093 0.000 1.103 528 F CA 1.619 59.590 58.000 -0.049 0.000 1.248 528 F CB -0.684 38.285 39.000 -0.053 0.000 0.999 528 F HN 0.207 nan 8.300 nan 0.000 0.475 529 A N 0.106 122.859 122.820 -0.111 0.000 1.917 529 A HA -0.290 4.033 4.320 0.005 0.000 0.219 529 A C 2.187 179.464 177.584 -0.511 0.000 1.182 529 A CA 1.854 53.590 52.037 -0.501 0.000 0.633 529 A CB -1.778 16.699 19.000 -0.871 0.000 0.819 529 A HN 0.529 nan 8.150 nan 0.000 0.448 530 F N 1.585 121.286 119.950 -0.415 0.000 2.154 530 F HA -0.237 4.293 4.527 0.005 0.000 0.301 530 F C 2.655 178.302 175.800 -0.255 0.000 1.087 530 F CA 2.050 59.864 58.000 -0.310 0.000 1.274 530 F CB 0.016 38.880 39.000 -0.226 0.000 1.009 530 F HN 0.345 nan 8.300 nan 0.000 0.485 531 S N -1.411 114.206 115.700 -0.138 0.000 2.593 531 S HA 0.005 4.478 4.470 0.005 0.000 0.217 531 S C 1.641 176.074 174.600 -0.278 0.000 0.966 531 S CA 0.303 58.391 58.200 -0.187 0.000 0.914 531 S CB -0.016 63.038 63.200 -0.243 0.000 0.776 531 S HN 0.526 nan 8.310 nan 0.000 0.523 532 K N -0.567 119.651 120.400 -0.303 0.000 2.412 532 K HA 0.172 4.496 4.320 0.005 0.000 0.201 532 K C -0.623 175.980 176.600 0.006 0.000 1.275 532 K CA -0.278 55.895 56.287 -0.190 0.000 0.910 532 K CB 0.127 32.478 32.500 -0.249 0.000 1.346 532 K HN 0.256 nan 8.250 nan 0.000 0.490 533 Y N 4.504 124.686 120.300 -0.196 0.000 2.805 533 Y HA -0.137 4.416 4.550 0.005 0.000 0.331 533 Y C 1.707 177.510 175.900 -0.161 0.000 1.241 533 Y CA -0.127 57.871 58.100 -0.171 0.000 1.546 533 Y CB 0.499 38.828 38.460 -0.219 0.000 1.248 533 Y HN 0.284 nan 8.280 nan 0.000 0.559 534 Q N 2.691 122.491 119.800 -0.000 0.000 1.803 534 Q HA -0.224 4.119 4.340 0.005 0.000 0.284 534 Q C 1.230 177.256 176.000 0.043 0.000 1.004 534 Q CA 2.348 58.150 55.803 -0.002 0.000 0.889 534 Q CB -0.276 28.451 28.738 -0.020 0.000 0.949 534 Q HN 0.909 nan 8.270 nan 0.000 0.418 535 H N -1.096 117.929 119.070 -0.075 0.000 1.801 535 H HA 0.197 4.757 4.556 0.005 0.000 0.144 535 H C 1.816 177.119 175.328 -0.042 0.000 1.031 535 H CA 0.440 56.456 56.048 -0.053 0.000 0.932 535 H CB 0.418 30.156 29.762 -0.039 0.000 0.732 535 H HN 0.200 nan 8.280 nan 0.000 0.326 536 K N 0.847 121.323 120.400 0.126 0.000 2.057 536 K HA -0.097 4.226 4.320 0.005 0.000 0.207 536 K C 1.225 177.797 176.600 -0.047 0.000 1.049 536 K CA 1.721 58.042 56.287 0.056 0.000 0.931 536 K CB 0.125 32.647 32.500 0.036 0.000 0.714 536 K HN 0.143 nan 8.250 nan 0.000 0.440 537 N N 0.962 119.582 118.700 -0.133 0.000 2.459 537 N HA -0.114 4.629 4.740 0.005 0.000 0.181 537 N C 1.457 176.925 175.510 -0.071 0.000 1.046 537 N CA 0.410 53.314 53.050 -0.243 0.000 0.904 537 N CB -0.054 38.012 38.487 -0.702 0.000 0.964 537 N HN 0.107 nan 8.380 nan 0.000 0.444 538 L N 0.137 121.309 121.223 -0.084 0.000 2.056 538 L HA -0.035 4.308 4.340 0.005 0.000 0.207 538 L C 1.587 178.430 176.870 -0.045 0.000 1.078 538 L CA 0.955 55.704 54.840 -0.152 0.000 0.749 538 L CB -0.433 41.447 42.059 -0.299 0.000 0.901 538 L HN 0.026 nan 8.230 nan 0.000 0.433 539 L N -0.366 120.871 121.223 0.023 0.000 2.021 539 L HA -0.290 4.054 4.340 0.005 0.000 0.215 539 L C 2.434 179.399 176.870 0.160 0.000 1.074 539 L CA 2.025 56.946 54.840 0.135 0.000 0.760 539 L CB -1.044 41.052 42.059 0.062 0.000 0.889 539 L HN 0.253 nan 8.230 nan 0.000 0.433 540 I N -1.533 119.101 120.570 0.108 0.000 2.315 540 I HA -0.284 3.889 4.170 0.005 0.000 0.248 540 I C 2.353 178.574 176.117 0.173 0.000 1.117 540 I CA 0.614 61.994 61.300 0.132 0.000 1.404 540 I CB -0.310 37.753 38.000 0.105 0.000 1.071 540 I HN 0.222 nan 8.210 nan 0.000 0.419 541 L N 0.160 121.483 121.223 0.167 0.000 2.046 541 L HA -0.222 4.122 4.340 0.005 0.000 0.208 541 L C 2.369 179.314 176.870 0.126 0.000 1.077 541 L CA 1.917 56.834 54.840 0.128 0.000 0.747 541 L CB -0.878 41.196 42.059 0.024 0.000 0.896 541 L HN 0.175 nan 8.230 nan 0.000 0.432 542 Y N -0.214 120.170 120.300 0.141 0.000 2.128 542 Y HA -0.328 4.225 4.550 0.005 0.000 0.284 542 Y C 2.532 178.506 175.900 0.124 0.000 1.154 542 Y CA 1.558 59.753 58.100 0.157 0.000 1.149 542 Y CB -0.327 38.206 38.460 0.122 0.000 0.976 542 Y HN 0.331 nan 8.280 nan 0.000 0.505 543 D N -0.256 120.314 120.400 0.284 0.000 2.116 543 D HA -0.246 4.398 4.640 0.005 0.000 0.193 543 D C 2.151 178.553 176.300 0.170 0.000 0.998 543 D CA 1.525 55.637 54.000 0.187 0.000 0.836 543 D CB -0.219 40.674 40.800 0.154 0.000 0.951 543 D HN 0.304 nan 8.370 nan 0.000 0.449 544 A N -0.388 122.545 122.820 0.189 0.000 1.969 544 A HA -0.083 4.240 4.320 0.005 0.000 0.218 544 A C 2.327 180.023 177.584 0.186 0.000 1.169 544 A CA 1.005 53.164 52.037 0.202 0.000 0.635 544 A CB -0.597 18.548 19.000 0.241 0.000 0.810 544 A HN 0.368 nan 8.150 nan 0.000 0.445 545 I N -0.680 119.997 120.570 0.178 0.000 2.277 545 I HA -0.095 4.078 4.170 0.005 0.000 0.243 545 I C 2.736 178.926 176.117 0.122 0.000 1.094 545 I CA 0.971 62.360 61.300 0.149 0.000 1.393 545 I CB -0.594 37.502 38.000 0.159 0.000 1.078 545 I HN 0.361 nan 8.210 nan 0.000 0.417 546 G N 0.332 109.213 108.800 0.134 0.000 2.476 546 G HA2 -0.261 3.702 3.960 0.005 0.000 0.218 546 G HA3 -0.261 3.702 3.960 0.005 0.000 0.218 546 G C 1.655 176.593 174.900 0.064 0.000 1.164 546 G CA 1.646 46.800 45.100 0.089 0.000 0.768 546 G HN 0.292 nan 8.290 nan 0.000 0.560 547 T N 1.153 115.752 114.554 0.075 0.000 2.746 547 T HA -0.055 4.299 4.350 0.005 0.000 0.267 547 T C 2.228 176.954 174.700 0.043 0.000 1.039 547 T CA 0.855 62.986 62.100 0.052 0.000 1.142 547 T CB -0.237 68.665 68.868 0.056 0.000 0.866 547 T HN 0.135 nan 8.240 nan 0.000 0.444 548 L N 0.774 122.037 121.223 0.067 0.000 1.971 548 L HA -0.236 4.107 4.340 0.005 0.000 0.215 548 L C 2.857 179.748 176.870 0.034 0.000 1.072 548 L CA 2.126 57.002 54.840 0.060 0.000 0.758 548 L CB -0.831 41.282 42.059 0.091 0.000 0.889 548 L HN 0.317 nan 8.230 nan 0.000 0.433 549 A N -0.425 122.417 122.820 0.036 0.000 1.908 549 A HA -0.269 4.054 4.320 0.005 0.000 0.218 549 A C 1.798 179.395 177.584 0.021 0.000 1.181 549 A CA 2.054 54.105 52.037 0.024 0.000 0.627 549 A CB -0.698 18.314 19.000 0.020 0.000 0.818 549 A HN 0.538 nan 8.150 nan 0.000 0.445 550 D N -0.086 120.325 120.400 0.019 0.000 2.178 550 D HA -0.074 4.569 4.640 0.005 0.000 0.201 550 D C 2.213 178.524 176.300 0.018 0.000 0.980 550 D CA 1.596 55.604 54.000 0.013 0.000 0.842 550 D CB -0.235 40.569 40.800 0.007 0.000 0.948 550 D HN 0.449 nan 8.370 nan 0.000 0.472 551 S N -0.222 115.488 115.700 0.018 0.000 2.388 551 S HA -0.056 4.418 4.470 0.005 0.000 0.223 551 S C 2.196 176.818 174.600 0.037 0.000 1.034 551 S CA 0.824 59.034 58.200 0.016 0.000 0.963 551 S CB 0.126 63.324 63.200 -0.004 0.000 0.827 551 S HN 0.322 nan 8.310 nan 0.000 0.481 552 V N -0.453 119.485 119.914 0.040 0.000 3.590 552 V HA 0.461 4.584 4.120 0.005 0.000 0.265 552 V C 1.403 177.543 176.094 0.077 0.000 1.239 552 V CA 0.399 62.744 62.300 0.075 0.000 1.117 552 V CB -1.396 30.447 31.823 0.033 0.000 0.818 552 V HN 0.450 nan 8.190 nan 0.000 0.451 553 G N 2.543 111.371 108.800 0.047 0.000 2.684 553 G HA2 -0.488 3.475 3.960 0.005 0.000 0.332 553 G HA3 -0.488 3.475 3.960 0.005 0.000 0.332 553 G C 1.137 176.042 174.900 0.009 0.000 1.306 553 G CA 1.747 46.874 45.100 0.045 0.000 1.002 553 G HN 1.118 nan 8.290 nan 0.000 0.545 554 H N 0.655 119.681 119.070 -0.072 0.000 2.457 554 H HA -0.116 4.443 4.556 0.005 0.000 0.297 554 H C 2.083 177.380 175.328 -0.052 0.000 1.092 554 H CA 2.107 58.104 56.048 -0.085 0.000 1.309 554 H CB -0.773 28.905 29.762 -0.140 0.000 1.382 554 H HN 0.725 nan 8.280 nan 0.000 0.535 555 H N 0.313 119.030 119.070 -0.588 0.000 2.518 555 H HA -0.072 4.487 4.556 0.005 0.000 0.292 555 H C 2.159 177.475 175.328 -0.021 0.000 1.068 555 H CA 1.014 56.860 56.048 -0.335 0.000 1.275 555 H CB -0.055 29.532 29.762 -0.292 0.000 1.375 555 H HN 0.328 nan 8.280 nan 0.000 0.563 556 L N 1.200 122.482 121.223 0.098 0.000 2.478 556 L HA -0.015 4.328 4.340 0.005 0.000 0.223 556 L C 0.771 177.793 176.870 0.255 0.000 1.140 556 L CA 0.571 55.503 54.840 0.152 0.000 0.842 556 L CB -0.235 41.864 42.059 0.066 0.000 0.953 556 L HN -0.004 nan 8.230 nan 0.000 0.452 557 N N 1.268 120.079 118.700 0.185 0.000 3.050 557 N HA 0.072 4.815 4.740 0.005 0.000 0.289 557 N C -1.150 174.446 175.510 0.143 0.000 1.209 557 N CA 0.177 53.327 53.050 0.168 0.000 1.154 557 N CB -0.195 38.379 38.487 0.146 0.000 1.444 557 N HN 0.018 nan 8.380 nan 0.000 0.529 558 K N 1.848 122.329 120.400 0.134 0.000 2.464 558 K HA 0.334 4.658 4.320 0.005 0.000 0.253 558 K C -2.031 174.530 176.600 -0.066 0.000 0.933 558 K CA -1.773 54.495 56.287 -0.031 0.000 0.801 558 K CB 2.012 34.364 32.500 -0.246 0.000 1.271 558 K HN -0.001 nan 8.250 nan 0.000 0.430 559 P HA -0.242 nan 4.420 nan 0.000 0.216 559 P C 1.106 178.369 177.300 -0.062 0.000 1.150 559 P CA 1.365 64.444 63.100 -0.035 0.000 0.843 559 P CB 0.357 32.034 31.700 -0.038 0.000 0.787 560 E N -1.069 119.026 120.200 -0.174 0.000 2.153 560 E HA -0.216 4.137 4.350 0.005 0.000 0.194 560 E C 1.427 177.994 176.600 -0.056 0.000 0.988 560 E CA 1.457 57.754 56.400 -0.170 0.000 0.811 560 E CB -1.186 28.355 29.700 -0.265 0.000 0.746 560 E HN 0.289 nan 8.360 nan 0.000 0.466 561 Y N 1.069 121.383 120.300 0.023 0.000 2.286 561 Y HA 0.117 4.671 4.550 0.006 0.000 0.293 561 Y C 2.500 178.412 175.900 0.022 0.000 1.124 561 Y CA -0.051 58.063 58.100 0.023 0.000 1.178 561 Y CB -0.558 37.922 38.460 0.034 0.000 1.010 561 Y HN -0.053 nan 8.280 nan 0.000 0.536 562 I N -0.291 120.384 120.570 0.176 0.000 2.179 562 I HA -0.299 3.874 4.170 0.005 0.000 0.242 562 I C 2.341 178.507 176.117 0.081 0.000 1.088 562 I CA 1.240 62.613 61.300 0.122 0.000 1.357 562 I CB -0.371 37.715 38.000 0.142 0.000 1.051 562 I HN 0.121 nan 8.210 nan 0.000 0.409 563 Q N 0.004 119.846 119.800 0.070 0.000 2.234 563 Q HA -0.165 4.179 4.340 0.005 0.000 0.206 563 Q C 2.160 178.181 176.000 0.035 0.000 0.980 563 Q CA 1.682 57.514 55.803 0.048 0.000 0.869 563 Q CB -0.228 28.527 28.738 0.028 0.000 0.912 563 Q HN 0.574 nan 8.270 nan 0.000 0.436 564 M N -1.278 118.351 119.600 0.050 0.000 2.191 564 M HA -0.091 4.392 4.480 0.005 0.000 0.262 564 M C 1.926 178.222 176.300 -0.008 0.000 1.083 564 M CA 0.712 56.032 55.300 0.033 0.000 1.154 564 M CB -0.182 32.459 32.600 0.068 0.000 1.344 564 M HN 0.154 nan 8.290 nan 0.000 0.431 565 L N 0.301 121.524 121.223 -0.001 0.000 2.072 565 L HA -0.066 4.277 4.340 0.005 0.000 0.205 565 L C 2.219 179.013 176.870 -0.126 0.000 1.079 565 L CA 1.653 56.458 54.840 -0.057 0.000 0.752 565 L CB -0.340 41.711 42.059 -0.013 0.000 0.906 565 L HN 0.219 nan 8.230 nan 0.000 0.436 566 M N -0.463 119.065 119.600 -0.120 0.000 2.193 566 M HA 0.022 4.505 4.480 0.005 0.000 0.265 566 M C -0.033 176.163 176.300 -0.174 0.000 1.071 566 M CA 1.195 56.359 55.300 -0.228 0.000 1.140 566 M CB -2.270 30.084 32.600 -0.410 0.000 1.369 566 M HN 0.076 nan 8.290 nan 0.000 0.423 567 P HA -0.161 nan 4.420 nan 0.000 0.217 567 P C -1.291 175.964 177.300 -0.075 0.000 1.162 567 P CA 2.028 65.100 63.100 -0.046 0.000 0.901 567 P CB -1.488 30.203 31.700 -0.016 0.000 0.793 568 P HA -0.058 nan 4.420 nan 0.000 0.222 568 P C 1.534 178.687 177.300 -0.245 0.000 1.153 568 P CA 1.211 64.188 63.100 -0.206 0.000 0.798 568 P CB -0.376 31.088 31.700 -0.393 0.000 0.796 569 L N -1.033 120.030 121.223 -0.267 0.000 2.156 569 L HA -0.046 4.297 4.340 0.005 0.000 0.208 569 L C 2.668 179.586 176.870 0.081 0.000 1.095 569 L CA 0.986 55.769 54.840 -0.095 0.000 0.770 569 L CB -0.653 41.352 42.059 -0.091 0.000 0.914 569 L HN -0.151 nan 8.230 nan 0.000 0.439 570 I N -0.961 119.616 120.570 0.011 0.000 2.353 570 I HA -0.219 3.954 4.170 0.005 0.000 0.248 570 I C 2.718 178.946 176.117 0.183 0.000 1.119 570 I CA 0.663 62.012 61.300 0.081 0.000 1.417 570 I CB -0.365 37.638 38.000 0.006 0.000 1.078 570 I HN 0.334 nan 8.210 nan 0.000 0.421 571 Q N 1.851 121.723 119.800 0.121 0.000 2.029 571 Q HA -0.271 4.072 4.340 0.005 0.000 0.209 571 Q C 2.164 178.282 176.000 0.197 0.000 0.999 571 Q CA 1.912 57.798 55.803 0.139 0.000 0.857 571 Q CB -0.179 28.622 28.738 0.106 0.000 0.926 571 Q HN 0.337 nan 8.270 nan 0.000 0.415 572 K N 0.005 120.554 120.400 0.248 0.000 2.032 572 K HA -0.179 4.144 4.320 0.005 0.000 0.209 572 K C 1.835 178.598 176.600 0.272 0.000 1.048 572 K CA 1.210 57.672 56.287 0.292 0.000 0.927 572 K CB -0.856 31.907 32.500 0.437 0.000 0.712 572 K HN 0.491 nan 8.250 nan 0.000 0.441 573 W N 2.321 123.688 121.300 0.113 0.000 2.311 573 W HA -0.251 4.412 4.660 0.005 0.000 0.326 573 W C 1.452 178.019 176.519 0.080 0.000 1.239 573 W CA 1.951 59.352 57.345 0.093 0.000 1.258 573 W CB -0.830 28.680 29.460 0.084 0.000 1.165 573 W HN 0.208 nan 8.180 nan 0.000 0.466 574 N N 0.409 119.332 118.700 0.372 0.000 2.289 574 N HA -0.231 4.513 4.740 0.005 0.000 0.184 574 N C 1.826 177.390 175.510 0.090 0.000 1.016 574 N CA 2.005 55.192 53.050 0.228 0.000 0.872 574 N CB -0.424 38.204 38.487 0.235 0.000 0.973 574 N HN 0.303 nan 8.380 nan 0.000 0.433 575 M N -0.694 118.959 119.600 0.088 0.000 2.509 575 M HA 0.199 4.682 4.480 0.005 0.000 0.250 575 M C -0.206 176.105 176.300 0.019 0.000 1.132 575 M CA 0.671 56.005 55.300 0.056 0.000 1.080 575 M CB 0.272 32.916 32.600 0.073 0.000 1.408 575 M HN -0.162 nan 8.290 nan 0.000 0.484 576 L N 2.006 123.224 121.223 -0.009 0.000 2.350 576 L HA 0.462 4.805 4.340 0.005 0.000 0.275 576 L C -0.006 176.810 176.870 -0.090 0.000 1.099 576 L CA -0.795 54.018 54.840 -0.045 0.000 0.808 576 L CB 0.730 42.755 42.059 -0.058 0.000 1.149 576 L HN -0.004 nan 8.230 nan 0.000 0.442 577 K N 1.027 121.389 120.400 -0.064 0.000 2.118 577 K HA 0.138 4.461 4.320 0.005 0.000 0.264 577 K C 0.499 177.056 176.600 -0.072 0.000 1.000 577 K CA -0.367 55.877 56.287 -0.070 0.000 0.929 577 K CB 0.745 33.214 32.500 -0.051 0.000 1.021 577 K HN 0.354 nan 8.250 nan 0.000 0.463 578 D N 1.329 121.673 120.400 -0.093 0.000 2.311 578 D HA -0.129 4.514 4.640 0.005 0.000 0.212 578 D C 0.255 176.457 176.300 -0.163 0.000 0.972 578 D CA 1.135 55.076 54.000 -0.098 0.000 0.887 578 D CB 0.300 41.026 40.800 -0.123 0.000 0.915 578 D HN 0.463 nan 8.370 nan 0.000 0.497 579 E N -0.002 120.109 120.200 -0.147 0.000 2.474 579 E HA 0.053 4.406 4.350 0.005 0.000 0.195 579 E C -0.197 176.426 176.600 0.038 0.000 1.039 579 E CA -0.034 56.240 56.400 -0.210 0.000 0.881 579 E CB 0.349 29.958 29.700 -0.152 0.000 0.970 579 E HN 0.040 nan 8.360 nan 0.000 0.486 580 D N 0.423 120.901 120.400 0.130 0.000 2.280 580 D HA 0.127 4.771 4.640 0.005 0.000 0.236 580 D C 0.244 176.502 176.300 -0.070 0.000 1.082 580 D CA -0.278 53.756 54.000 0.058 0.000 0.834 580 D CB 0.979 41.769 40.800 -0.016 0.000 1.100 580 D HN -0.146 nan 8.370 nan 0.000 0.486 581 K N 1.969 122.200 120.400 -0.283 0.000 2.555 581 K HA -0.039 4.285 4.320 0.005 0.000 0.193 581 K C 0.414 176.488 176.600 -0.877 0.000 1.032 581 K CA 0.298 55.973 56.287 -1.020 0.000 1.004 581 K CB 0.480 32.562 32.500 -0.697 0.000 0.804 581 K HN 0.322 nan 8.250 nan 0.000 0.496 582 D N 0.966 121.130 120.400 -0.394 0.000 2.363 582 D HA -0.034 4.609 4.640 0.005 0.000 0.220 582 D C 1.493 177.654 176.300 -0.233 0.000 0.994 582 D CA 0.564 54.429 54.000 -0.225 0.000 0.890 582 D CB 0.131 40.893 40.800 -0.062 0.000 0.906 582 D HN 0.171 nan 8.370 nan 0.000 0.530 583 L N -0.509 120.524 121.223 -0.316 0.000 2.217 583 L HA -0.071 4.273 4.340 0.005 0.000 0.211 583 L C 2.126 178.928 176.870 -0.114 0.000 1.107 583 L CA 0.512 55.236 54.840 -0.193 0.000 0.783 583 L CB -0.325 41.655 42.059 -0.132 0.000 0.919 583 L HN 0.056 nan 8.230 nan 0.000 0.442 584 F N 0.897 120.687 119.950 -0.265 0.000 2.025 584 F HA -0.208 4.323 4.527 0.006 0.000 0.297 584 F C 0.057 175.713 175.800 -0.239 0.000 1.132 584 F CA 0.833 58.677 58.000 -0.260 0.000 1.191 584 F CB -1.996 36.846 39.000 -0.264 0.000 0.963 584 F HN 0.165 nan 8.300 nan 0.000 0.481 585 P HA -0.131 nan 4.420 nan 0.000 0.223 585 P C 1.659 178.557 177.300 -0.671 0.000 1.151 585 P CA 1.079 63.998 63.100 -0.301 0.000 0.787 585 P CB -0.110 31.426 31.700 -0.274 0.000 0.788 586 L N -0.058 120.802 121.223 -0.605 0.000 2.007 586 L HA -0.074 4.270 4.340 0.005 0.000 0.205 586 L C 2.524 179.338 176.870 -0.093 0.000 1.073 586 L CA 1.708 56.271 54.840 -0.462 0.000 0.744 586 L CB -1.480 40.515 42.059 -0.108 0.000 0.898 586 L HN -0.211 nan 8.230 nan 0.000 0.435 587 L N -0.653 120.578 121.223 0.012 0.000 2.046 587 L HA -0.158 4.185 4.340 0.005 0.000 0.208 587 L C 2.678 179.573 176.870 0.042 0.000 1.077 587 L CA 1.135 56.043 54.840 0.113 0.000 0.747 587 L CB -1.057 41.079 42.059 0.128 0.000 0.896 587 L HN 0.334 nan 8.230 nan 0.000 0.432 588 E N -0.098 120.092 120.200 -0.017 0.000 2.070 588 E HA -0.293 4.061 4.350 0.005 0.000 0.197 588 E C 2.280 178.875 176.600 -0.009 0.000 1.004 588 E CA 1.709 58.094 56.400 -0.025 0.000 0.805 588 E CB -0.786 28.890 29.700 -0.041 0.000 0.744 588 E HN 0.537 nan 8.360 nan 0.000 0.451 589 C N 0.798 120.086 119.300 -0.020 0.000 2.413 589 C HA -0.130 4.333 4.460 0.005 0.000 0.276 589 C C 2.872 177.895 174.990 0.055 0.000 1.236 589 C CA 0.716 59.773 59.018 0.064 0.000 1.735 589 C CB -1.226 26.619 27.740 0.176 0.000 2.031 589 C HN 0.375 nan 8.230 nan 0.000 0.474 590 L N 1.504 122.761 121.223 0.057 0.000 2.131 590 L HA -0.117 4.227 4.340 0.005 0.000 0.210 590 L C 2.891 179.718 176.870 -0.071 0.000 1.092 590 L CA 1.931 56.787 54.840 0.027 0.000 0.759 590 L CB -0.521 41.608 42.059 0.116 0.000 0.903 590 L HN 0.635 nan 8.230 nan 0.000 0.435 591 S N -1.905 113.775 115.700 -0.034 0.000 2.402 591 S HA -0.158 4.315 4.470 0.005 0.000 0.229 591 S C 2.100 176.650 174.600 -0.083 0.000 1.021 591 S CA 1.424 59.586 58.200 -0.063 0.000 0.974 591 S CB -0.179 63.007 63.200 -0.024 0.000 0.800 591 S HN 0.307 nan 8.310 nan 0.000 0.484 592 S N 0.812 116.481 115.700 -0.050 0.000 2.371 592 S HA 0.054 4.527 4.470 0.005 0.000 0.224 592 S C 1.888 176.448 174.600 -0.067 0.000 1.029 592 S CA 1.101 59.277 58.200 -0.040 0.000 0.978 592 S CB -0.446 62.753 63.200 -0.001 0.000 0.833 592 S HN 0.445 nan 8.310 nan 0.000 0.466 593 V N 1.973 121.840 119.914 -0.078 0.000 2.407 593 V HA -0.170 3.953 4.120 0.005 0.000 0.248 593 V C 2.559 178.520 176.094 -0.222 0.000 1.055 593 V CA 1.680 63.928 62.300 -0.087 0.000 1.049 593 V CB -1.095 30.709 31.823 -0.032 0.000 0.662 593 V HN 0.517 nan 8.190 nan 0.000 0.455 594 A N -0.250 122.280 122.820 -0.484 0.000 1.873 594 A HA -0.215 4.108 4.320 0.005 0.000 0.215 594 A C 2.411 179.790 177.584 -0.341 0.000 1.186 594 A CA 2.430 53.956 52.037 -0.853 0.000 0.616 594 A CB -1.065 17.279 19.000 -1.093 0.000 0.823 594 A HN 0.474 nan 8.150 nan 0.000 0.442 595 T N 0.403 114.840 114.554 -0.195 0.000 2.699 595 T HA -0.107 4.247 4.350 0.005 0.000 0.268 595 T C 2.141 176.824 174.700 -0.029 0.000 1.036 595 T CA 1.813 63.868 62.100 -0.076 0.000 1.147 595 T CB -0.417 68.424 68.868 -0.045 0.000 0.862 595 T HN 0.603 nan 8.240 nan 0.000 0.446 596 A N 0.898 123.700 122.820 -0.030 0.000 1.897 596 A HA 0.156 4.479 4.320 0.005 0.000 0.215 596 A C 2.236 179.852 177.584 0.054 0.000 1.181 596 A CA 0.859 52.908 52.037 0.020 0.000 0.620 596 A CB -0.643 18.368 19.000 0.018 0.000 0.821 596 A HN 0.474 nan 8.150 nan 0.000 0.443 597 L N -1.211 120.041 121.223 0.049 0.000 2.376 597 L HA -0.164 4.179 4.340 0.005 0.000 0.219 597 L C 1.530 178.486 176.870 0.143 0.000 1.133 597 L CA 0.757 55.675 54.840 0.129 0.000 0.816 597 L CB -0.620 41.573 42.059 0.225 0.000 0.933 597 L HN 0.559 nan 8.230 nan 0.000 0.449 598 Q N -0.386 119.472 119.800 0.097 0.000 2.049 598 Q HA -0.413 3.930 4.340 0.005 0.000 0.409 598 Q C 1.543 177.635 176.000 0.153 0.000 0.726 598 Q CA 2.334 58.199 55.803 0.104 0.000 0.896 598 Q CB -1.246 27.546 28.738 0.090 0.000 3.134 598 Q HN 0.528 nan 8.270 nan 0.000 0.836 599 S N -0.111 115.665 115.700 0.128 0.000 2.561 599 S HA 0.070 4.543 4.470 0.005 0.000 0.225 599 S C 1.558 176.243 174.600 0.141 0.000 0.977 599 S CA 0.706 58.980 58.200 0.124 0.000 0.926 599 S CB 0.002 63.251 63.200 0.081 0.000 0.769 599 S HN 0.687 nan 8.310 nan 0.000 0.533 600 G N 0.139 109.041 108.800 0.169 0.000 2.559 600 G HA2 -0.040 3.923 3.960 0.005 0.000 0.216 600 G HA3 -0.040 3.923 3.960 0.005 0.000 0.216 600 G C 0.838 175.912 174.900 0.289 0.000 1.126 600 G CA 0.185 45.398 45.100 0.189 0.000 0.778 600 G HN 0.552 nan 8.290 nan 0.000 0.543 601 F N 0.562 120.596 119.950 0.140 0.000 2.754 601 F HA 0.355 4.886 4.527 0.006 0.000 0.297 601 F C 2.253 178.155 175.800 0.171 0.000 1.122 601 F CA -0.234 57.892 58.000 0.210 0.000 1.400 601 F CB 0.129 39.206 39.000 0.129 0.000 1.117 601 F HN -0.011 nan 8.300 nan 0.000 0.587 602 L N 0.715 122.019 121.223 0.135 0.000 2.051 602 L HA -0.243 4.100 4.340 0.005 0.000 0.214 602 L C -0.396 176.376 176.870 -0.164 0.000 1.076 602 L CA 1.583 56.429 54.840 0.010 0.000 0.758 602 L CB -2.045 40.019 42.059 0.007 0.000 0.890 602 L HN 0.090 nan 8.230 nan 0.000 0.433 603 P HA -0.191 nan 4.420 nan 0.000 0.217 603 P C 0.741 177.606 177.300 -0.725 0.000 1.148 603 P CA 1.606 64.347 63.100 -0.599 0.000 0.828 603 P CB -0.037 31.110 31.700 -0.922 0.000 0.783 604 Y N -2.247 117.788 120.300 -0.441 0.000 2.442 604 Y HA 0.076 4.630 4.550 0.006 0.000 0.250 604 Y C 2.481 178.130 175.900 -0.418 0.000 1.113 604 Y CA -0.171 57.590 58.100 -0.564 0.000 1.273 604 Y CB -1.337 36.514 38.460 -1.016 0.000 1.138 604 Y HN 0.113 nan 8.280 nan 0.000 0.522 605 C N -0.042 119.182 119.300 -0.127 0.000 2.429 605 C HA -0.165 4.298 4.460 0.005 0.000 0.277 605 C C 2.342 177.407 174.990 0.126 0.000 1.262 605 C CA 1.344 60.428 59.018 0.110 0.000 1.733 605 C CB -0.863 26.991 27.740 0.191 0.000 2.010 605 C HN 0.618 nan 8.230 nan 0.000 0.483 606 E N 2.235 122.467 120.200 0.052 0.000 2.031 606 E HA -0.119 4.235 4.350 0.005 0.000 0.193 606 E C -0.211 176.476 176.600 0.146 0.000 0.994 606 E CA 1.823 58.276 56.400 0.089 0.000 0.800 606 E CB -0.650 29.066 29.700 0.027 0.000 0.752 606 E HN 0.520 nan 8.360 nan 0.000 0.447 607 P HA -0.149 nan 4.420 nan 0.000 0.218 607 P C 1.494 178.926 177.300 0.219 0.000 1.148 607 P CA 1.034 64.220 63.100 0.143 0.000 0.822 607 P CB 0.016 31.766 31.700 0.083 0.000 0.784 608 V N -0.977 119.003 119.914 0.110 0.000 2.323 608 V HA -0.231 3.892 4.120 0.005 0.000 0.244 608 V C 2.585 178.864 176.094 0.307 0.000 1.041 608 V CA 1.604 63.979 62.300 0.126 0.000 1.025 608 V CB -1.488 30.337 31.823 0.004 0.000 0.656 608 V HN -0.026 nan 8.190 nan 0.000 0.451 609 Y N 0.757 121.157 120.300 0.166 0.000 2.207 609 Y HA -0.310 4.244 4.550 0.005 0.000 0.287 609 Y C 2.646 178.638 175.900 0.153 0.000 1.156 609 Y CA 2.195 60.386 58.100 0.153 0.000 1.182 609 Y CB -0.107 38.422 38.460 0.114 0.000 0.979 609 Y HN 0.234 nan 8.280 nan 0.000 0.521 610 Q N 0.375 120.369 119.800 0.323 0.000 2.050 610 Q HA -0.204 4.139 4.340 0.005 0.000 0.202 610 Q C 2.456 178.548 176.000 0.154 0.000 0.980 610 Q CA 2.239 58.183 55.803 0.235 0.000 0.840 610 Q CB -0.324 28.548 28.738 0.223 0.000 0.898 610 Q HN 0.506 nan 8.270 nan 0.000 0.424 611 R N -1.237 119.402 120.500 0.232 0.000 2.090 611 R HA -0.066 4.277 4.340 0.005 0.000 0.228 611 R C 2.133 178.503 176.300 0.116 0.000 1.110 611 R CA 1.452 57.667 56.100 0.192 0.000 0.973 611 R CB -0.530 29.940 30.300 0.284 0.000 0.869 611 R HN 0.347 nan 8.270 nan 0.000 0.440 612 C N -0.327 119.045 119.300 0.120 0.000 2.429 612 C HA -0.042 4.421 4.460 0.005 0.000 0.277 612 C C 2.568 177.536 174.990 -0.036 0.000 1.262 612 C CA 0.618 59.663 59.018 0.044 0.000 1.733 612 C CB -0.622 27.126 27.740 0.014 0.000 2.010 612 C HN 0.379 nan 8.230 nan 0.000 0.483 613 V N 1.831 121.675 119.914 -0.116 0.000 2.343 613 V HA -0.208 3.916 4.120 0.005 0.000 0.247 613 V C 2.268 178.348 176.094 -0.023 0.000 1.051 613 V CA 1.995 64.233 62.300 -0.104 0.000 1.036 613 V CB -0.722 31.012 31.823 -0.147 0.000 0.654 613 V HN 0.533 nan 8.190 nan 0.000 0.451 614 N N 0.205 118.907 118.700 0.004 0.000 2.104 614 N HA -0.112 4.632 4.740 0.005 0.000 0.190 614 N C 1.798 177.311 175.510 0.006 0.000 1.024 614 N CA 1.403 54.462 53.050 0.014 0.000 0.853 614 N CB -0.360 38.143 38.487 0.026 0.000 1.008 614 N HN 0.402 nan 8.380 nan 0.000 0.424 615 L N 0.253 121.487 121.223 0.018 0.000 2.056 615 L HA -0.110 4.234 4.340 0.005 0.000 0.207 615 L C 2.261 179.150 176.870 0.031 0.000 1.078 615 L CA 0.691 55.551 54.840 0.034 0.000 0.749 615 L CB -0.399 41.718 42.059 0.097 0.000 0.901 615 L HN -0.037 nan 8.230 nan 0.000 0.433 616 V N -0.316 119.610 119.914 0.020 0.000 2.343 616 V HA -0.341 3.782 4.120 0.005 0.000 0.247 616 V C 2.441 178.538 176.094 0.004 0.000 1.051 616 V CA 2.063 64.368 62.300 0.008 0.000 1.036 616 V CB -0.501 31.316 31.823 -0.010 0.000 0.654 616 V HN 0.511 nan 8.190 nan 0.000 0.451 617 Q N 0.250 120.053 119.800 0.004 0.000 2.050 617 Q HA -0.233 4.111 4.340 0.005 0.000 0.202 617 Q C 2.206 178.208 176.000 0.003 0.000 0.980 617 Q CA 1.848 57.655 55.803 0.008 0.000 0.840 617 Q CB -0.123 28.623 28.738 0.013 0.000 0.898 617 Q HN 0.561 nan 8.270 nan 0.000 0.424 618 K N -0.672 119.724 120.400 -0.007 0.000 2.280 618 K HA -0.071 4.253 4.320 0.005 0.000 0.202 618 K C 1.875 178.461 176.600 -0.023 0.000 1.047 618 K CA 1.550 57.824 56.287 -0.021 0.000 0.942 618 K CB 0.154 32.623 32.500 -0.051 0.000 0.739 618 K HN 0.281 nan 8.250 nan 0.000 0.457 619 T N 1.075 115.621 114.554 -0.014 0.000 2.814 619 T HA 0.017 4.370 4.350 0.005 0.000 0.254 619 T C 1.795 176.497 174.700 0.003 0.000 1.037 619 T CA 0.630 62.727 62.100 -0.004 0.000 1.143 619 T CB -0.158 68.725 68.868 0.025 0.000 0.866 619 T HN 0.045 nan 8.240 nan 0.000 0.431 620 L N 1.174 122.397 121.223 0.001 0.000 2.042 620 L HA -0.141 4.202 4.340 0.005 0.000 0.210 620 L C 3.063 179.935 176.870 0.003 0.000 1.076 620 L CA 1.381 56.220 54.840 -0.002 0.000 0.749 620 L CB -0.718 41.339 42.059 -0.003 0.000 0.893 620 L HN 0.268 nan 8.230 nan 0.000 0.432 621 A N -0.530 122.295 122.820 0.009 0.000 1.898 621 A HA -0.267 4.056 4.320 0.005 0.000 0.216 621 A C 2.226 179.825 177.584 0.026 0.000 1.181 621 A CA 1.732 53.777 52.037 0.014 0.000 0.620 621 A CB -0.515 18.496 19.000 0.018 0.000 0.819 621 A HN 0.396 nan 8.150 nan 0.000 0.442 622 Q N -0.133 119.689 119.800 0.037 0.000 2.226 622 Q HA -0.019 4.324 4.340 0.005 0.000 0.204 622 Q C 1.929 177.962 176.000 0.056 0.000 0.975 622 Q CA 1.848 57.692 55.803 0.069 0.000 0.866 622 Q CB -0.528 28.233 28.738 0.039 0.000 0.915 622 Q HN 0.578 nan 8.270 nan 0.000 0.440 623 A N -0.210 122.625 122.820 0.026 0.000 1.898 623 A HA -0.118 4.205 4.320 0.005 0.000 0.216 623 A C 2.012 179.599 177.584 0.005 0.000 1.181 623 A CA 1.522 53.568 52.037 0.015 0.000 0.620 623 A CB -0.418 18.583 19.000 0.002 0.000 0.819 623 A HN 0.489 nan 8.150 nan 0.000 0.442 624 M N -0.747 118.850 119.600 -0.006 0.000 2.254 624 M HA 0.039 4.522 4.480 0.005 0.000 0.265 624 M C 1.688 177.957 176.300 -0.051 0.000 1.066 624 M CA 0.969 56.254 55.300 -0.024 0.000 1.123 624 M CB -0.314 32.272 32.600 -0.023 0.000 1.388 624 M HN 0.292 nan 8.290 nan 0.000 0.425 625 L N -0.066 121.119 121.223 -0.063 0.000 2.478 625 L HA -0.095 4.249 4.340 0.005 0.000 0.223 625 L C 2.249 179.066 176.870 -0.089 0.000 1.140 625 L CA 0.561 55.297 54.840 -0.174 0.000 0.842 625 L CB -0.632 41.272 42.059 -0.259 0.000 0.953 625 L HN 0.449 nan 8.230 nan 0.000 0.452 626 N N 0.132 118.837 118.700 0.010 0.000 2.368 626 N HA -0.149 4.594 4.740 0.005 0.000 0.178 626 N C 1.551 177.067 175.510 0.009 0.000 1.021 626 N CA 0.592 53.667 53.050 0.042 0.000 0.875 626 N CB 0.118 38.640 38.487 0.058 0.000 1.020 626 N HN 0.368 nan 8.380 nan 0.000 0.433 627 N N 0.193 118.891 118.700 -0.004 0.000 2.381 627 N HA -0.061 4.682 4.740 0.005 0.000 0.182 627 N C 1.296 176.795 175.510 -0.018 0.000 1.025 627 N CA 0.758 53.803 53.050 -0.009 0.000 0.888 627 N CB 0.119 38.600 38.487 -0.011 0.000 0.965 627 N HN 0.243 nan 8.380 nan 0.000 0.438 628 A N -0.478 122.321 122.820 -0.035 0.000 2.140 628 A HA 0.167 4.490 4.320 0.005 0.000 0.209 628 A C 0.916 178.472 177.584 -0.047 0.000 1.181 628 A CA 0.257 52.268 52.037 -0.043 0.000 0.824 628 A CB 0.465 19.429 19.000 -0.060 0.000 0.879 628 A HN 0.304 nan 8.150 nan 0.000 0.480 629 Q N -0.843 118.927 119.800 -0.050 0.000 3.316 629 Q HA 0.156 4.499 4.340 0.005 0.000 0.295 629 Q C -2.243 173.768 176.000 0.017 0.000 0.805 629 Q CA -1.413 54.368 55.803 -0.036 0.000 0.914 629 Q CB 1.421 30.101 28.738 -0.097 0.000 1.514 629 Q HN 0.229 nan 8.270 nan 0.000 0.387 630 P HA -0.221 nan 4.420 nan 0.000 0.218 630 P C 0.987 178.321 177.300 0.057 0.000 1.148 630 P CA 1.413 64.539 63.100 0.043 0.000 0.822 630 P CB 0.181 31.898 31.700 0.027 0.000 0.784 631 D N -1.156 119.273 120.400 0.049 0.000 2.264 631 D HA -0.179 4.464 4.640 0.005 0.000 0.208 631 D C 1.598 177.943 176.300 0.075 0.000 0.966 631 D CA 1.196 55.226 54.000 0.050 0.000 0.864 631 D CB -0.441 40.381 40.800 0.036 0.000 0.933 631 D HN 0.212 nan 8.370 nan 0.000 0.499 632 Q N -0.994 118.880 119.800 0.124 0.000 2.387 632 Q HA 0.056 4.399 4.340 0.005 0.000 0.208 632 Q C -0.013 176.162 176.000 0.292 0.000 0.935 632 Q CA 0.458 56.387 55.803 0.210 0.000 0.891 632 Q CB 0.482 29.385 28.738 0.275 0.000 1.007 632 Q HN 0.311 nan 8.270 nan 0.000 0.548 633 Y N 1.199 121.495 120.300 -0.005 0.000 2.352 633 Y HA 0.290 4.844 4.550 0.005 0.000 0.339 633 Y C 0.235 176.131 175.900 -0.007 0.000 0.992 633 Y CA -1.375 56.720 58.100 -0.008 0.000 1.100 633 Y CB 1.120 39.574 38.460 -0.010 0.000 1.192 633 Y HN -0.025 nan 8.280 nan 0.000 0.458 634 E N 1.725 121.966 120.200 0.069 0.000 2.373 634 E HA 0.550 4.903 4.350 0.005 0.000 0.263 634 E C -0.565 176.068 176.600 0.055 0.000 1.073 634 E CA -0.540 55.884 56.400 0.041 0.000 0.894 634 E CB 0.817 30.515 29.700 -0.004 0.000 1.008 634 E HN 0.784 nan 8.360 nan 0.000 0.420 635 A N 4.434 127.280 122.820 0.044 0.000 2.440 635 A HA 0.314 4.637 4.320 0.005 0.000 0.251 635 A C -2.116 175.491 177.584 0.039 0.000 1.089 635 A CA -1.144 50.918 52.037 0.042 0.000 0.779 635 A CB 0.004 19.026 19.000 0.035 0.000 1.022 635 A HN 0.459 nan 8.150 nan 0.000 0.492 636 P HA 0.169 nan 4.420 nan 0.000 0.277 636 P C -0.965 176.385 177.300 0.083 0.000 1.240 636 P CA -0.396 62.728 63.100 0.041 0.000 0.798 636 P CB 0.746 32.462 31.700 0.026 0.000 0.979 637 D N 2.151 122.645 120.400 0.158 0.000 2.336 637 D HA 0.012 4.655 4.640 0.005 0.000 0.249 637 D C 1.027 177.469 176.300 0.237 0.000 1.213 637 D CA -0.130 54.015 54.000 0.241 0.000 0.870 637 D CB 0.636 41.703 40.800 0.445 0.000 1.076 637 D HN 0.108 nan 8.370 nan 0.000 0.483 638 K N 2.823 123.277 120.400 0.090 0.000 2.362 638 K HA -0.102 4.221 4.320 0.005 0.000 0.200 638 K C 0.808 177.381 176.600 -0.046 0.000 1.046 638 K CA 0.430 56.734 56.287 0.027 0.000 0.952 638 K CB 0.284 32.768 32.500 -0.027 0.000 0.753 638 K HN 0.477 nan 8.250 nan 0.000 0.466 639 D N 0.706 121.008 120.400 -0.163 0.000 2.149 639 D HA -0.132 4.511 4.640 0.005 0.000 0.198 639 D C 1.741 177.706 176.300 -0.559 0.000 0.990 639 D CA 0.931 54.577 54.000 -0.589 0.000 0.839 639 D CB -0.285 39.756 40.800 -1.265 0.000 0.948 639 D HN 0.153 nan 8.370 nan 0.000 0.460 640 F N 0.618 120.501 119.950 -0.112 0.000 2.126 640 F HA -0.167 4.363 4.527 0.006 0.000 0.299 640 F C 2.560 178.354 175.800 -0.010 0.000 1.096 640 F CA 0.998 59.061 58.000 0.106 0.000 1.255 640 F CB -0.429 38.667 39.000 0.160 0.000 0.997 640 F HN -0.070 nan 8.300 nan 0.000 0.479 641 M N 0.038 119.719 119.600 0.136 0.000 2.132 641 M HA -0.140 4.343 4.480 0.005 0.000 0.263 641 M C 1.997 178.278 176.300 -0.032 0.000 1.065 641 M CA 1.819 57.143 55.300 0.041 0.000 1.122 641 M CB -0.324 32.284 32.600 0.014 0.000 1.365 641 M HN 0.134 nan 8.290 nan 0.000 0.411 642 I N 0.255 120.766 120.570 -0.097 0.000 2.113 642 I HA -0.247 3.926 4.170 0.005 0.000 0.238 642 I C 2.493 178.545 176.117 -0.107 0.000 1.070 642 I CA 1.674 62.897 61.300 -0.129 0.000 1.332 642 I CB -0.893 36.995 38.000 -0.187 0.000 1.044 642 I HN 0.391 nan 8.210 nan 0.000 0.402 643 V N -0.346 119.486 119.914 -0.136 0.000 2.594 643 V HA -0.157 3.966 4.120 0.005 0.000 0.253 643 V C 2.495 178.590 176.094 0.002 0.000 1.069 643 V CA 1.629 63.884 62.300 -0.075 0.000 1.082 643 V CB -1.175 30.606 31.823 -0.070 0.000 0.680 643 V HN 0.346 nan 8.190 nan 0.000 0.469 644 A N 0.645 123.478 122.820 0.023 0.000 1.897 644 A HA 0.076 4.399 4.320 0.005 0.000 0.215 644 A C 2.212 179.805 177.584 0.015 0.000 1.181 644 A CA 1.794 53.860 52.037 0.048 0.000 0.620 644 A CB -0.600 18.436 19.000 0.060 0.000 0.821 644 A HN 0.560 nan 8.150 nan 0.000 0.443 645 L N -0.307 120.910 121.223 -0.011 0.000 2.046 645 L HA -0.212 4.131 4.340 0.005 0.000 0.208 645 L C 2.092 178.960 176.870 -0.003 0.000 1.077 645 L CA 1.530 56.359 54.840 -0.019 0.000 0.747 645 L CB -0.653 41.378 42.059 -0.046 0.000 0.896 645 L HN 0.304 nan 8.230 nan 0.000 0.432 646 D N -0.159 120.233 120.400 -0.012 0.000 2.117 646 D HA -0.176 4.467 4.640 0.005 0.000 0.197 646 D C 2.039 178.345 176.300 0.012 0.000 0.987 646 D CA 1.018 55.014 54.000 -0.007 0.000 0.829 646 D CB -0.149 40.634 40.800 -0.028 0.000 0.961 646 D HN 0.121 nan 8.370 nan 0.000 0.460 647 L N 0.520 121.760 121.223 0.029 0.000 2.093 647 L HA -0.086 4.257 4.340 0.005 0.000 0.208 647 L C 1.926 178.830 176.870 0.057 0.000 1.085 647 L CA 1.177 56.048 54.840 0.050 0.000 0.755 647 L CB -0.702 41.424 42.059 0.112 0.000 0.904 647 L HN -0.046 nan 8.230 nan 0.000 0.435 648 L N -0.663 120.592 121.223 0.053 0.000 2.042 648 L HA -0.186 4.158 4.340 0.005 0.000 0.210 648 L C 2.648 179.574 176.870 0.094 0.000 1.076 648 L CA 1.716 56.596 54.840 0.066 0.000 0.749 648 L CB -1.399 40.666 42.059 0.010 0.000 0.893 648 L HN 0.288 nan 8.230 nan 0.000 0.432 649 S N -0.499 115.244 115.700 0.071 0.000 2.351 649 S HA -0.175 4.298 4.470 0.005 0.000 0.220 649 S C 1.897 176.540 174.600 0.073 0.000 1.035 649 S CA 1.413 59.665 58.200 0.086 0.000 1.031 649 S CB -0.798 62.441 63.200 0.065 0.000 0.928 649 S HN 0.604 nan 8.310 nan 0.000 0.433 650 G N 1.022 109.838 108.800 0.027 0.000 2.534 650 G HA2 -0.042 3.921 3.960 0.005 0.000 0.217 650 G HA3 -0.042 3.921 3.960 0.005 0.000 0.217 650 G C 1.267 176.151 174.900 -0.026 0.000 1.128 650 G CA 0.128 45.220 45.100 -0.013 0.000 0.784 650 G HN 0.337 nan 8.290 nan 0.000 0.542 651 L N 0.647 121.881 121.223 0.017 0.000 2.044 651 L HA 0.064 4.407 4.340 0.005 0.000 0.205 651 L C 3.141 180.076 176.870 0.108 0.000 1.075 651 L CA 1.784 56.660 54.840 0.059 0.000 0.747 651 L CB -0.806 41.345 42.059 0.153 0.000 0.903 651 L HN 0.327 nan 8.230 nan 0.000 0.435 652 A N -0.623 122.278 122.820 0.135 0.000 1.933 652 A HA -0.261 4.062 4.320 0.005 0.000 0.218 652 A C 2.190 179.845 177.584 0.120 0.000 1.175 652 A CA 1.792 53.915 52.037 0.143 0.000 0.628 652 A CB -0.472 18.628 19.000 0.167 0.000 0.814 652 A HN 0.552 nan 8.150 nan 0.000 0.444 653 E N -0.747 119.515 120.200 0.103 0.000 2.046 653 E HA -0.085 4.269 4.350 0.005 0.000 0.190 653 E C 2.089 178.729 176.600 0.067 0.000 0.982 653 E CA 0.821 57.278 56.400 0.094 0.000 0.800 653 E CB -0.337 29.412 29.700 0.080 0.000 0.756 653 E HN 0.529 nan 8.360 nan 0.000 0.449 654 G N 0.382 109.204 108.800 0.038 0.000 2.443 654 G HA2 -0.176 3.787 3.960 0.005 0.000 0.219 654 G HA3 -0.176 3.787 3.960 0.005 0.000 0.219 654 G C 1.315 176.255 174.900 0.067 0.000 1.131 654 G CA 0.390 45.509 45.100 0.032 0.000 0.775 654 G HN 0.159 nan 8.290 nan 0.000 0.547 655 L N -0.088 121.184 121.223 0.082 0.000 2.556 655 L HA 0.359 4.702 4.340 0.005 0.000 0.226 655 L C 2.115 179.035 176.870 0.083 0.000 1.089 655 L CA 0.851 55.747 54.840 0.093 0.000 0.864 655 L CB -0.303 41.821 42.059 0.109 0.000 1.067 655 L HN 0.378 nan 8.230 nan 0.000 0.477 656 G N 0.284 109.136 108.800 0.087 0.000 2.651 656 G HA2 -0.418 3.545 3.960 0.005 0.000 0.315 656 G HA3 -0.418 3.545 3.960 0.005 0.000 0.315 656 G C 1.177 176.130 174.900 0.088 0.000 1.258 656 G CA 0.435 45.587 45.100 0.087 0.000 1.002 656 G HN 0.466 nan 8.290 nan 0.000 0.551 657 G N -0.048 108.799 108.800 0.077 0.000 2.471 657 G HA2 -0.104 3.860 3.960 0.005 0.000 0.219 657 G HA3 -0.104 3.860 3.960 0.005 0.000 0.219 657 G C 1.452 176.391 174.900 0.065 0.000 1.125 657 G CA 1.389 46.535 45.100 0.076 0.000 0.775 657 G HN 0.789 nan 8.290 nan 0.000 0.548 658 N N -0.179 118.554 118.700 0.056 0.000 2.513 658 N HA 0.007 4.751 4.740 0.005 0.000 0.187 658 N C 1.805 177.330 175.510 0.025 0.000 1.056 658 N CA 0.189 53.264 53.050 0.041 0.000 0.907 658 N CB -0.032 38.483 38.487 0.047 0.000 0.954 658 N HN 0.330 nan 8.380 nan 0.000 0.445 659 I N 0.844 121.436 120.570 0.037 0.000 3.059 659 I HA -0.154 4.019 4.170 0.005 0.000 0.270 659 I C 2.053 178.139 176.117 -0.052 0.000 1.238 659 I CA 0.536 61.833 61.300 -0.006 0.000 1.478 659 I CB 0.052 38.085 38.000 0.056 0.000 1.097 659 I HN 0.164 nan 8.210 nan 0.000 0.455 660 E N 0.654 120.867 120.200 0.021 0.000 2.070 660 E HA -0.324 4.030 4.350 0.005 0.000 0.197 660 E C 1.918 178.474 176.600 -0.074 0.000 1.004 660 E CA 1.574 58.005 56.400 0.053 0.000 0.805 660 E CB -0.553 29.266 29.700 0.199 0.000 0.744 660 E HN 0.380 nan 8.360 nan 0.000 0.451 661 Q N 0.244 120.008 119.800 -0.061 0.000 2.135 661 Q HA -0.077 4.267 4.340 0.005 0.000 0.204 661 Q C 2.491 178.376 176.000 -0.192 0.000 0.981 661 Q CA 1.553 57.298 55.803 -0.096 0.000 0.856 661 Q CB -0.247 28.455 28.738 -0.059 0.000 0.902 661 Q HN 0.476 nan 8.270 nan 0.000 0.425 662 L N -0.306 120.736 121.223 -0.302 0.000 2.141 662 L HA -0.125 4.218 4.340 0.005 0.000 0.209 662 L C 2.353 178.888 176.870 -0.558 0.000 1.094 662 L CA 0.563 55.056 54.840 -0.577 0.000 0.763 662 L CB -0.428 41.001 42.059 -1.050 0.000 0.908 662 L HN 0.005 nan 8.230 nan 0.000 0.437 663 V N -0.032 119.667 119.914 -0.360 0.000 2.407 663 V HA -0.143 3.980 4.120 0.005 0.000 0.245 663 V C 2.778 178.724 176.094 -0.247 0.000 1.041 663 V CA 1.505 63.710 62.300 -0.158 0.000 1.040 663 V CB -0.715 31.045 31.823 -0.104 0.000 0.671 663 V HN 0.420 nan 8.190 nan 0.000 0.455 664 A N 0.229 122.789 122.820 -0.433 0.000 1.908 664 A HA -0.194 4.130 4.320 0.005 0.000 0.218 664 A C 2.110 179.611 177.584 -0.140 0.000 1.181 664 A CA 1.516 53.318 52.037 -0.392 0.000 0.627 664 A CB -0.423 18.409 19.000 -0.280 0.000 0.818 664 A HN 0.496 nan 8.150 nan 0.000 0.445 665 R N 0.241 120.684 120.500 -0.095 0.000 3.081 665 R HA 0.197 4.540 4.340 0.005 0.000 0.280 665 R C -0.521 175.795 176.300 0.028 0.000 1.372 665 R CA 0.467 56.551 56.100 -0.026 0.000 1.242 665 R CB -0.074 30.214 30.300 -0.021 0.000 1.316 665 R HN 0.619 nan 8.270 nan 0.000 0.585 666 S N -1.866 113.861 115.700 0.046 0.000 2.579 666 S HA 0.312 4.785 4.470 0.005 0.000 0.272 666 S C -0.089 174.564 174.600 0.087 0.000 1.141 666 S CA -1.106 57.164 58.200 0.116 0.000 0.843 666 S CB 1.504 64.870 63.200 0.276 0.000 1.122 666 S HN 0.038 nan 8.310 nan 0.000 0.468 667 N N 0.507 119.258 118.700 0.086 0.000 2.313 667 N HA 0.130 4.873 4.740 0.005 0.000 0.207 667 N C 1.106 176.667 175.510 0.085 0.000 1.141 667 N CA -0.058 53.035 53.050 0.072 0.000 0.830 667 N CB -0.285 38.237 38.487 0.059 0.000 1.008 667 N HN 0.630 nan 8.380 nan 0.000 0.481 668 I N 0.989 121.621 120.570 0.103 0.000 2.194 668 I HA -0.265 3.908 4.170 0.005 0.000 0.246 668 I C 1.750 177.945 176.117 0.130 0.000 1.093 668 I CA 1.416 62.777 61.300 0.101 0.000 1.355 668 I CB -0.101 37.981 38.000 0.137 0.000 1.046 668 I HN 0.089 nan 8.210 nan 0.000 0.413 669 L N -0.683 120.635 121.223 0.157 0.000 2.005 669 L HA -0.207 4.136 4.340 0.005 0.000 0.207 669 L C 2.404 179.430 176.870 0.259 0.000 1.072 669 L CA 1.951 56.933 54.840 0.237 0.000 0.744 669 L CB -1.436 40.741 42.059 0.197 0.000 0.895 669 L HN 0.189 nan 8.230 nan 0.000 0.433 670 T N 0.588 115.243 114.554 0.169 0.000 2.737 670 T HA -0.195 4.158 4.350 0.005 0.000 0.269 670 T C 1.954 176.776 174.700 0.204 0.000 1.040 670 T CA 1.404 63.609 62.100 0.175 0.000 1.142 670 T CB -0.354 68.577 68.868 0.105 0.000 0.861 670 T HN 0.194 nan 8.240 nan 0.000 0.456 671 L N -0.033 121.274 121.223 0.139 0.000 2.072 671 L HA 0.028 4.371 4.340 0.005 0.000 0.205 671 L C 2.745 179.663 176.870 0.079 0.000 1.079 671 L CA 1.137 56.031 54.840 0.091 0.000 0.752 671 L CB -0.546 41.543 42.059 0.051 0.000 0.906 671 L HN 0.257 nan 8.230 nan 0.000 0.436 672 M N -0.933 118.725 119.600 0.097 0.000 2.108 672 M HA -0.300 4.183 4.480 0.005 0.000 0.261 672 M C 2.449 178.757 176.300 0.013 0.000 1.066 672 M CA 1.949 57.266 55.300 0.028 0.000 1.107 672 M CB -0.285 32.346 32.600 0.051 0.000 1.356 672 M HN 0.205 nan 8.290 nan 0.000 0.406 673 Y N 1.029 121.350 120.300 0.035 0.000 2.256 673 Y HA -0.295 4.258 4.550 0.006 0.000 0.288 673 Y C 2.124 178.040 175.900 0.026 0.000 1.155 673 Y CA 2.107 60.260 58.100 0.089 0.000 1.203 673 Y CB -0.378 38.276 38.460 0.322 0.000 0.980 673 Y HN 0.387 nan 8.280 nan 0.000 0.530 674 Q N -1.646 118.142 119.800 -0.020 0.000 2.123 674 Q HA -0.155 4.188 4.340 0.005 0.000 0.199 674 Q C 2.459 178.364 176.000 -0.158 0.000 0.966 674 Q CA 1.516 57.245 55.803 -0.123 0.000 0.845 674 Q CB -0.310 28.415 28.738 -0.022 0.000 0.907 674 Q HN 0.492 nan 8.270 nan 0.000 0.439 675 C N 0.275 119.492 119.300 -0.138 0.000 2.425 675 C HA -0.100 4.364 4.460 0.005 0.000 0.277 675 C C 2.399 177.222 174.990 -0.279 0.000 1.280 675 C CA 0.695 59.605 59.018 -0.180 0.000 1.744 675 C CB -0.637 27.005 27.740 -0.164 0.000 1.989 675 C HN 0.557 nan 8.230 nan 0.000 0.491 676 M N 0.070 119.472 119.600 -0.331 0.000 2.629 676 M HA -0.145 4.338 4.480 0.005 0.000 0.257 676 M C 1.792 177.941 176.300 -0.251 0.000 1.071 676 M CA 1.372 56.422 55.300 -0.417 0.000 1.077 676 M CB -0.303 32.131 32.600 -0.277 0.000 1.423 676 M HN 0.522 nan 8.290 nan 0.000 0.508 677 Q N -0.896 118.760 119.800 -0.239 0.000 2.217 677 Q HA 0.103 4.447 4.340 0.005 0.000 0.217 677 Q C 0.058 175.967 176.000 -0.152 0.000 0.844 677 Q CA -0.273 55.419 55.803 -0.184 0.000 0.957 677 Q CB 0.703 29.303 28.738 -0.230 0.000 1.127 677 Q HN 0.348 nan 8.270 nan 0.000 0.503 678 D N 2.014 122.314 120.400 -0.167 0.000 2.449 678 D HA -0.082 4.561 4.640 0.005 0.000 0.236 678 D C 0.824 177.045 176.300 -0.131 0.000 1.149 678 D CA 0.524 54.442 54.000 -0.136 0.000 0.878 678 D CB 0.985 41.701 40.800 -0.140 0.000 1.198 678 D HN 0.201 nan 8.370 nan 0.000 0.446 679 K N 2.541 122.880 120.400 -0.102 0.000 2.365 679 K HA -0.069 4.254 4.320 0.005 0.000 0.199 679 K C 1.197 177.725 176.600 -0.120 0.000 1.045 679 K CA 0.504 56.732 56.287 -0.098 0.000 0.962 679 K CB 0.106 32.570 32.500 -0.060 0.000 0.759 679 K HN 0.360 nan 8.250 nan 0.000 0.469 680 M N 3.128 122.658 119.600 -0.118 0.000 2.105 680 M HA 0.141 4.624 4.480 0.005 0.000 0.350 680 M C -1.945 174.258 176.300 -0.163 0.000 1.308 680 M CA -2.592 52.638 55.300 -0.117 0.000 1.108 680 M CB 1.236 33.783 32.600 -0.088 0.000 1.622 680 M HN -0.132 nan 8.290 nan 0.000 0.468 681 P HA -0.163 nan 4.420 nan 0.000 0.216 681 P C 0.394 177.613 177.300 -0.135 0.000 1.150 681 P CA 1.592 64.555 63.100 -0.229 0.000 0.837 681 P CB 0.099 31.651 31.700 -0.247 0.000 0.786 682 E N -0.418 119.724 120.200 -0.097 0.000 2.209 682 E HA -0.104 4.249 4.350 0.005 0.000 0.196 682 E C 2.006 178.532 176.600 -0.123 0.000 0.993 682 E CA 0.862 57.210 56.400 -0.087 0.000 0.819 682 E CB -0.825 28.825 29.700 -0.083 0.000 0.745 682 E HN 0.100 nan 8.360 nan 0.000 0.477 683 V N 0.317 120.141 119.914 -0.151 0.000 2.446 683 V HA -0.121 4.002 4.120 0.005 0.000 0.244 683 V C 2.050 177.981 176.094 -0.271 0.000 1.039 683 V CA 1.327 63.520 62.300 -0.178 0.000 1.045 683 V CB -0.293 31.437 31.823 -0.155 0.000 0.681 683 V HN 0.175 nan 8.190 nan 0.000 0.459 684 R N 0.029 120.338 120.500 -0.317 0.000 2.081 684 R HA -0.220 4.123 4.340 0.005 0.000 0.235 684 R C 2.386 178.324 176.300 -0.603 0.000 1.131 684 R CA 1.766 57.530 56.100 -0.560 0.000 0.960 684 R CB -0.426 29.665 30.300 -0.348 0.000 0.856 684 R HN 0.573 nan 8.270 nan 0.000 0.436 685 Q N 0.617 120.288 119.800 -0.215 0.000 2.077 685 Q HA -0.171 4.172 4.340 0.005 0.000 0.206 685 Q C 1.905 177.867 176.000 -0.063 0.000 0.989 685 Q CA 2.114 57.894 55.803 -0.038 0.000 0.853 685 Q CB 0.037 28.771 28.738 -0.006 0.000 0.907 685 Q HN 0.210 nan 8.270 nan 0.000 0.418 686 S N 0.365 115.991 115.700 -0.123 0.000 2.387 686 S HA -0.116 4.358 4.470 0.005 0.000 0.226 686 S C 2.042 176.583 174.600 -0.099 0.000 1.026 686 S CA 1.105 59.254 58.200 -0.085 0.000 0.972 686 S CB -0.163 62.982 63.200 -0.092 0.000 0.814 686 S HN 0.627 nan 8.310 nan 0.000 0.477 687 S N 1.238 116.793 115.700 -0.242 0.000 2.402 687 S HA -0.020 4.453 4.470 0.005 0.000 0.229 687 S C 1.612 176.111 174.600 -0.169 0.000 1.021 687 S CA 0.838 58.878 58.200 -0.266 0.000 0.974 687 S CB -0.891 62.061 63.200 -0.413 0.000 0.800 687 S HN 0.564 nan 8.310 nan 0.000 0.484 688 F N 2.223 122.165 119.950 -0.013 0.000 2.206 688 F HA 0.130 4.660 4.527 0.005 0.000 0.298 688 F C 2.965 178.855 175.800 0.149 0.000 1.090 688 F CA 0.380 58.395 58.000 0.026 0.000 1.323 688 F CB -0.499 38.523 39.000 0.036 0.000 1.028 688 F HN 0.309 nan 8.300 nan 0.000 0.492 689 A N 0.457 123.476 122.820 0.332 0.000 1.877 689 A HA -0.198 4.125 4.320 0.005 0.000 0.216 689 A C 2.047 179.852 177.584 0.369 0.000 1.186 689 A CA 1.503 53.772 52.037 0.386 0.000 0.620 689 A CB -1.047 18.051 19.000 0.164 0.000 0.822 689 A HN 0.341 nan 8.150 nan 0.000 0.443 690 L N -0.651 120.690 121.223 0.197 0.000 2.042 690 L HA -0.161 4.182 4.340 0.005 0.000 0.210 690 L C 2.254 179.231 176.870 0.178 0.000 1.076 690 L CA 2.161 57.099 54.840 0.163 0.000 0.749 690 L CB -0.662 41.449 42.059 0.086 0.000 0.893 690 L HN 0.380 nan 8.230 nan 0.000 0.432 691 L N -0.132 121.184 121.223 0.155 0.000 2.017 691 L HA -0.024 4.319 4.340 0.005 0.000 0.208 691 L C 2.380 179.308 176.870 0.097 0.000 1.073 691 L CA 2.169 57.088 54.840 0.131 0.000 0.745 691 L CB -1.594 40.516 42.059 0.084 0.000 0.894 691 L HN 0.307 nan 8.230 nan 0.000 0.432 692 G N -0.962 107.865 108.800 0.045 0.000 2.469 692 G HA2 -0.306 3.658 3.960 0.005 0.000 0.219 692 G HA3 -0.306 3.658 3.960 0.005 0.000 0.219 692 G C 1.324 176.137 174.900 -0.146 0.000 1.150 692 G CA 0.959 45.837 45.100 -0.369 0.000 0.763 692 G HN 0.456 nan 8.290 nan 0.000 0.561 693 D N 0.441 120.962 120.400 0.202 0.000 2.097 693 D HA -0.053 4.590 4.640 0.005 0.000 0.195 693 D C 2.697 179.098 176.300 0.169 0.000 0.989 693 D CA 0.569 54.716 54.000 0.245 0.000 0.827 693 D CB -0.248 40.717 40.800 0.276 0.000 0.966 693 D HN 0.306 nan 8.370 nan 0.000 0.456 694 L N 0.623 121.949 121.223 0.172 0.000 2.093 694 L HA -0.106 4.237 4.340 0.005 0.000 0.208 694 L C 2.488 179.481 176.870 0.204 0.000 1.085 694 L CA 0.941 55.894 54.840 0.189 0.000 0.755 694 L CB -0.701 41.481 42.059 0.205 0.000 0.904 694 L HN -0.007 nan 8.230 nan 0.000 0.435 695 T N -0.257 114.411 114.554 0.190 0.000 2.737 695 T HA -0.216 4.137 4.350 0.005 0.000 0.269 695 T C 1.966 176.743 174.700 0.128 0.000 1.040 695 T CA 1.396 63.632 62.100 0.227 0.000 1.142 695 T CB -0.059 68.863 68.868 0.090 0.000 0.861 695 T HN 0.292 nan 8.240 nan 0.000 0.456 696 K N 0.454 120.895 120.400 0.069 0.000 2.044 696 K HA 0.168 4.491 4.320 0.005 0.000 0.204 696 K C 2.706 179.369 176.600 0.106 0.000 1.049 696 K CA 0.937 57.262 56.287 0.063 0.000 0.945 696 K CB -0.184 32.360 32.500 0.074 0.000 0.724 696 K HN 0.258 nan 8.250 nan 0.000 0.440 697 A N 1.041 123.942 122.820 0.134 0.000 1.854 697 A HA -0.114 4.209 4.320 0.005 0.000 0.214 697 A C 1.416 179.089 177.584 0.148 0.000 1.192 697 A CA 1.363 53.481 52.037 0.135 0.000 0.611 697 A CB -0.313 18.773 19.000 0.143 0.000 0.832 697 A HN 0.571 nan 8.150 nan 0.000 0.442 698 C N -3.881 115.531 119.300 0.187 0.000 3.452 698 C HA 0.620 5.083 4.460 0.005 0.000 0.251 698 C C 0.756 175.868 174.990 0.203 0.000 1.160 698 C CA -1.014 58.124 59.018 0.201 0.000 1.328 698 C CB -1.461 26.458 27.740 0.297 0.000 1.819 698 C HN 0.406 nan 8.230 nan 0.000 0.543 699 F N 3.371 123.340 119.950 0.032 0.000 2.216 699 F HA -0.153 4.377 4.527 0.006 0.000 0.300 699 F C 2.697 178.478 175.800 -0.032 0.000 1.085 699 F CA 2.429 60.437 58.000 0.014 0.000 1.326 699 F CB 0.143 39.144 39.000 0.002 0.000 1.027 699 F HN 0.694 nan 8.300 nan 0.000 0.497 700 Q N -0.318 119.371 119.800 -0.185 0.000 2.197 700 Q HA -0.270 4.074 4.340 0.005 0.000 0.207 700 Q C 1.368 177.098 176.000 -0.450 0.000 0.984 700 Q CA 2.134 57.715 55.803 -0.371 0.000 0.869 700 Q CB -1.378 27.145 28.738 -0.359 0.000 0.906 700 Q HN 0.533 nan 8.270 nan 0.000 0.426 701 H N -0.359 118.633 119.070 -0.129 0.000 2.563 701 H HA 0.190 4.749 4.556 0.005 0.000 0.264 701 H C 2.026 177.268 175.328 -0.143 0.000 0.957 701 H CA 0.772 56.759 56.048 -0.102 0.000 1.173 701 H CB 0.676 30.425 29.762 -0.022 0.000 1.420 701 H HN 0.125 nan 8.280 nan 0.000 0.551 702 V N 0.731 120.560 119.914 -0.141 0.000 2.685 702 V HA -0.101 4.023 4.120 0.005 0.000 0.244 702 V C 2.546 178.392 176.094 -0.413 0.000 1.054 702 V CA 0.837 63.043 62.300 -0.156 0.000 1.076 702 V CB -0.065 31.787 31.823 0.048 0.000 0.725 702 V HN 0.191 nan 8.190 nan 0.000 0.467 703 K N 0.724 120.622 120.400 -0.837 0.000 2.059 703 K HA -0.243 4.081 4.320 0.005 0.000 0.212 703 K C -0.259 176.121 176.600 -0.368 0.000 1.050 703 K CA 2.313 58.126 56.287 -0.789 0.000 0.927 703 K CB -1.145 30.817 32.500 -0.896 0.000 0.714 703 K HN 0.375 nan 8.250 nan 0.000 0.447 704 P HA -0.149 nan 4.420 nan 0.000 0.218 704 P C 0.756 177.884 177.300 -0.286 0.000 1.146 704 P CA 1.168 64.130 63.100 -0.229 0.000 0.813 704 P CB 0.013 31.601 31.700 -0.186 0.000 0.778 705 C N -2.075 116.974 119.300 -0.419 0.000 2.673 705 C HA 0.124 4.587 4.460 0.005 0.000 0.264 705 C C 2.482 177.073 174.990 -0.666 0.000 1.304 705 C CA -0.302 58.289 59.018 -0.711 0.000 1.727 705 C CB -1.393 25.588 27.740 -1.265 0.000 1.932 705 C HN 0.177 nan 8.230 nan 0.000 0.563 706 I N 2.533 122.899 120.570 -0.339 0.000 2.118 706 I HA -0.256 3.918 4.170 0.005 0.000 0.241 706 I C 2.810 178.856 176.117 -0.119 0.000 1.070 706 I CA 2.242 63.458 61.300 -0.140 0.000 1.327 706 I CB -1.688 36.314 38.000 0.004 0.000 1.034 706 I HN 0.302 nan 8.210 nan 0.000 0.405 707 A N 0.285 123.074 122.820 -0.051 0.000 2.024 707 A HA -0.227 4.097 4.320 0.005 0.000 0.220 707 A C 1.970 179.567 177.584 0.022 0.000 1.164 707 A CA 2.010 54.081 52.037 0.056 0.000 0.643 707 A CB -0.537 18.513 19.000 0.082 0.000 0.806 707 A HN 0.446 nan 8.150 nan 0.000 0.451 708 D N -1.337 119.018 120.400 -0.074 0.000 2.183 708 D HA -0.012 4.632 4.640 0.005 0.000 0.205 708 D C 1.471 177.946 176.300 0.292 0.000 0.962 708 D CA 0.712 54.717 54.000 0.008 0.000 0.849 708 D CB -0.228 40.413 40.800 -0.264 0.000 0.978 708 D HN 0.402 nan 8.370 nan 0.000 0.488 709 F N 0.780 120.764 119.950 0.057 0.000 2.234 709 F HA 0.015 4.546 4.527 0.006 0.000 0.296 709 F C 2.295 178.111 175.800 0.026 0.000 1.089 709 F CA 0.434 58.498 58.000 0.108 0.000 1.343 709 F CB -0.609 38.437 39.000 0.076 0.000 1.040 709 F HN -0.098 nan 8.300 nan 0.000 0.498 710 M N -0.040 119.610 119.600 0.084 0.000 2.117 710 M HA -0.089 4.394 4.480 0.005 0.000 0.262 710 M C -0.383 175.912 176.300 -0.007 0.000 1.065 710 M CA 1.398 56.627 55.300 -0.120 0.000 1.114 710 M CB -2.451 29.784 32.600 -0.608 0.000 1.361 710 M HN -0.056 nan 8.290 nan 0.000 0.408 711 P HA -0.148 nan 4.420 nan 0.000 0.216 711 P C 1.698 179.052 177.300 0.091 0.000 1.153 711 P CA 1.205 64.368 63.100 0.106 0.000 0.858 711 P CB -0.180 31.604 31.700 0.140 0.000 0.789 712 I N -1.527 119.117 120.570 0.123 0.000 2.233 712 I HA -0.138 4.036 4.170 0.005 0.000 0.243 712 I C 2.438 178.570 176.117 0.026 0.000 1.093 712 I CA 1.223 62.588 61.300 0.107 0.000 1.380 712 I CB -1.668 36.430 38.000 0.163 0.000 1.067 712 I HN -0.038 nan 8.210 nan 0.000 0.413 713 L N 0.724 121.917 121.223 -0.051 0.000 2.042 713 L HA -0.160 4.183 4.340 0.005 0.000 0.210 713 L C 2.630 179.403 176.870 -0.163 0.000 1.076 713 L CA 1.671 56.359 54.840 -0.253 0.000 0.749 713 L CB -1.121 40.793 42.059 -0.241 0.000 0.893 713 L HN 0.312 nan 8.230 nan 0.000 0.432 714 G N -0.845 107.917 108.800 -0.063 0.000 2.448 714 G HA2 -0.237 3.726 3.960 0.005 0.000 0.219 714 G HA3 -0.237 3.726 3.960 0.005 0.000 0.219 714 G C 1.464 176.365 174.900 0.002 0.000 1.127 714 G CA 1.214 46.303 45.100 -0.018 0.000 0.766 714 G HN 0.476 nan 8.290 nan 0.000 0.552 715 T N -2.787 111.773 114.554 0.010 0.000 3.144 715 T HA 0.197 4.551 4.350 0.005 0.000 0.249 715 T C 1.207 175.925 174.700 0.030 0.000 1.089 715 T CA -0.112 62.007 62.100 0.031 0.000 0.989 715 T CB 0.107 69.002 68.868 0.045 0.000 0.992 715 T HN 0.165 nan 8.240 nan 0.000 0.540 716 N N 0.888 119.582 118.700 -0.010 0.000 2.275 716 N HA 0.180 4.923 4.740 0.005 0.000 0.236 716 N C -0.259 175.251 175.510 0.001 0.000 1.154 716 N CA -0.149 52.903 53.050 0.003 0.000 0.866 716 N CB 0.584 39.062 38.487 -0.014 0.000 1.093 716 N HN 0.205 nan 8.380 nan 0.000 0.515 717 L N 1.087 122.316 121.223 0.011 0.000 2.805 717 L HA 0.166 4.509 4.340 0.005 0.000 0.237 717 L C 0.496 177.406 176.870 0.066 0.000 1.252 717 L CA 0.046 54.900 54.840 0.024 0.000 1.064 717 L CB -1.712 40.353 42.059 0.010 0.000 1.361 717 L HN 0.015 nan 8.230 nan 0.000 0.474 718 N N 2.018 120.786 118.700 0.114 0.000 2.405 718 N HA 0.119 4.863 4.740 0.005 0.000 0.260 718 N C -1.511 174.076 175.510 0.128 0.000 1.152 718 N CA -1.545 51.589 53.050 0.140 0.000 0.948 718 N CB 1.308 39.938 38.487 0.239 0.000 1.111 718 N HN 0.010 nan 8.380 nan 0.000 0.485 719 P HA -0.071 nan 4.420 nan 0.000 0.233 719 P C 0.754 178.045 177.300 -0.015 0.000 1.167 719 P CA 0.604 63.725 63.100 0.036 0.000 0.770 719 P CB 0.431 32.143 31.700 0.020 0.000 0.837 720 E N -0.030 120.118 120.200 -0.086 0.000 2.153 720 E HA -0.120 4.233 4.350 0.005 0.000 0.194 720 E C -0.073 176.297 176.600 -0.382 0.000 0.988 720 E CA 0.623 56.862 56.400 -0.268 0.000 0.811 720 E CB -0.259 29.194 29.700 -0.412 0.000 0.746 720 E HN 0.268 nan 8.360 nan 0.000 0.466 721 F N 1.517 121.479 119.950 0.020 0.000 2.395 721 F HA 0.157 4.690 4.527 0.011 0.000 0.347 721 F C 1.337 177.153 175.800 0.027 0.000 1.157 721 F CA -0.908 57.107 58.000 0.024 0.000 1.272 721 F CB 0.436 39.457 39.000 0.036 0.000 1.607 721 F HN -0.064 nan 8.300 nan 0.000 0.571 722 I N -0.448 120.194 120.570 0.119 0.000 2.093 722 I HA -0.389 3.784 4.170 0.005 0.000 0.239 722 I C 2.235 178.411 176.117 0.098 0.000 1.026 722 I CA 1.588 62.936 61.300 0.079 0.000 1.295 722 I CB -1.353 36.671 38.000 0.040 0.000 1.007 722 I HN 0.338 nan 8.210 nan 0.000 0.401 723 S N 0.260 116.023 115.700 0.106 0.000 2.387 723 S HA -0.053 4.420 4.470 0.005 0.000 0.226 723 S C 2.217 176.894 174.600 0.128 0.000 1.026 723 S CA 0.857 59.110 58.200 0.090 0.000 0.972 723 S CB -0.153 63.087 63.200 0.065 0.000 0.814 723 S HN 0.258 nan 8.310 nan 0.000 0.477 724 V N 0.491 120.505 119.914 0.168 0.000 2.295 724 V HA -0.235 3.888 4.120 0.005 0.000 0.246 724 V C 2.519 178.726 176.094 0.188 0.000 1.049 724 V CA 1.725 64.158 62.300 0.221 0.000 1.024 724 V CB -0.761 31.173 31.823 0.185 0.000 0.648 724 V HN 0.675 nan 8.190 nan 0.000 0.447 725 C N 0.286 119.674 119.300 0.146 0.000 2.432 725 C HA -0.189 4.275 4.460 0.005 0.000 0.277 725 C C 2.801 177.830 174.990 0.064 0.000 1.249 725 C CA 1.706 60.775 59.018 0.084 0.000 1.725 725 C CB -1.526 26.270 27.740 0.094 0.000 2.028 725 C HN 0.709 nan 8.230 nan 0.000 0.477 726 N N 0.828 119.578 118.700 0.083 0.000 2.018 726 N HA -0.165 4.578 4.740 0.005 0.000 0.196 726 N C 1.273 176.860 175.510 0.128 0.000 1.043 726 N CA 2.137 55.236 53.050 0.080 0.000 0.856 726 N CB -0.547 37.972 38.487 0.055 0.000 1.042 726 N HN 0.550 nan 8.380 nan 0.000 0.423 727 N N 0.756 119.553 118.700 0.162 0.000 2.309 727 N HA -0.034 4.710 4.740 0.005 0.000 0.182 727 N C 1.552 177.194 175.510 0.220 0.000 1.018 727 N CA 0.992 54.205 53.050 0.270 0.000 0.876 727 N CB -0.509 38.163 38.487 0.309 0.000 0.972 727 N HN 0.329 nan 8.380 nan 0.000 0.434 728 A N 0.132 122.938 122.820 -0.023 0.000 1.898 728 A HA -0.105 4.218 4.320 0.005 0.000 0.216 728 A C 2.304 179.802 177.584 -0.144 0.000 1.181 728 A CA 1.874 53.684 52.037 -0.378 0.000 0.620 728 A CB -1.042 17.620 19.000 -0.563 0.000 0.819 728 A HN 0.271 nan 8.150 nan 0.000 0.442 729 T N -1.697 112.845 114.554 -0.021 0.000 2.777 729 T HA -0.180 4.173 4.350 0.005 0.000 0.266 729 T C 1.494 176.244 174.700 0.084 0.000 1.040 729 T CA 1.475 63.587 62.100 0.020 0.000 1.141 729 T CB -0.331 68.565 68.868 0.047 0.000 0.868 729 T HN 0.737 nan 8.240 nan 0.000 0.444 730 W N 2.220 123.504 121.300 -0.026 0.000 2.358 730 W HA -0.030 4.633 4.660 0.004 0.000 0.303 730 W C 2.533 179.054 176.519 0.003 0.000 1.208 730 W CA 1.009 58.353 57.345 -0.001 0.000 1.274 730 W CB -0.735 28.735 29.460 0.016 0.000 1.138 730 W HN 0.240 nan 8.180 nan 0.000 0.515 731 A N 0.514 123.289 122.820 -0.074 0.000 1.858 731 A HA -0.207 4.116 4.320 0.005 0.000 0.216 731 A C 2.071 179.520 177.584 -0.225 0.000 1.190 731 A CA 2.197 54.083 52.037 -0.251 0.000 0.617 731 A CB -1.171 17.792 19.000 -0.062 0.000 0.827 731 A HN 0.359 nan 8.150 nan 0.000 0.443 732 I N -0.100 120.381 120.570 -0.149 0.000 2.248 732 I HA -0.273 3.900 4.170 0.005 0.000 0.248 732 I C 2.616 178.664 176.117 -0.115 0.000 1.107 732 I CA 1.144 62.374 61.300 -0.118 0.000 1.373 732 I CB -0.548 37.397 38.000 -0.091 0.000 1.055 732 I HN 0.425 nan 8.210 nan 0.000 0.418 733 G N 0.240 108.961 108.800 -0.132 0.000 2.433 733 G HA2 -0.196 3.767 3.960 0.005 0.000 0.216 733 G HA3 -0.196 3.767 3.960 0.005 0.000 0.216 733 G C 1.550 176.347 174.900 -0.171 0.000 1.186 733 G CA 0.444 45.477 45.100 -0.111 0.000 0.779 733 G HN 0.282 nan 8.290 nan 0.000 0.543 734 E N 0.560 120.563 120.200 -0.328 0.000 2.077 734 E HA -0.079 4.274 4.350 0.005 0.000 0.193 734 E C 2.638 179.083 176.600 -0.258 0.000 0.989 734 E CA 0.509 56.707 56.400 -0.336 0.000 0.800 734 E CB -0.292 29.071 29.700 -0.561 0.000 0.746 734 E HN 0.503 nan 8.360 nan 0.000 0.452 735 I N 1.759 122.197 120.570 -0.219 0.000 2.118 735 I HA -0.343 3.831 4.170 0.005 0.000 0.241 735 I C 2.748 178.753 176.117 -0.187 0.000 1.070 735 I CA 1.751 62.953 61.300 -0.163 0.000 1.327 735 I CB -0.571 37.401 38.000 -0.047 0.000 1.034 735 I HN 0.118 nan 8.210 nan 0.000 0.405 736 S N 1.139 116.769 115.700 -0.117 0.000 2.383 736 S HA -0.172 4.301 4.470 0.005 0.000 0.229 736 S C 2.038 176.584 174.600 -0.090 0.000 1.030 736 S CA 0.916 59.076 58.200 -0.067 0.000 1.002 736 S CB -0.557 62.629 63.200 -0.023 0.000 0.829 736 S HN 0.266 nan 8.310 nan 0.000 0.467 737 I N 2.228 122.738 120.570 -0.100 0.000 2.264 737 I HA -0.115 4.058 4.170 0.005 0.000 0.248 737 I C 2.775 178.780 176.117 -0.186 0.000 1.111 737 I CA 1.336 62.590 61.300 -0.077 0.000 1.382 737 I CB -1.400 36.579 38.000 -0.035 0.000 1.060 737 I HN 0.437 nan 8.210 nan 0.000 0.418 738 Q N -0.827 118.746 119.800 -0.379 0.000 2.137 738 Q HA -0.027 4.316 4.340 0.005 0.000 0.198 738 Q C 2.197 177.894 176.000 -0.504 0.000 0.960 738 Q CA 0.906 56.302 55.803 -0.679 0.000 0.847 738 Q CB -0.136 27.632 28.738 -1.615 0.000 0.915 738 Q HN 0.430 nan 8.270 nan 0.000 0.448 739 M N -0.250 119.162 119.600 -0.313 0.000 2.254 739 M HA 0.001 4.484 4.480 0.005 0.000 0.265 739 M C 1.290 177.576 176.300 -0.023 0.000 1.066 739 M CA 1.259 56.540 55.300 -0.032 0.000 1.123 739 M CB -1.070 31.572 32.600 0.069 0.000 1.388 739 M HN 0.271 nan 8.290 nan 0.000 0.425 740 G N 1.478 110.235 108.800 -0.073 0.000 2.574 740 G HA2 -0.341 3.622 3.960 0.005 0.000 0.286 740 G HA3 -0.341 3.622 3.960 0.005 0.000 0.286 740 G C 0.612 175.479 174.900 -0.055 0.000 1.212 740 G CA 0.243 45.295 45.100 -0.081 0.000 0.979 740 G HN 0.378 nan 8.290 nan 0.000 0.557 741 I N 2.141 122.676 120.570 -0.059 0.000 2.623 741 I HA -0.037 4.136 4.170 0.005 0.000 0.261 741 I C 2.356 178.462 176.117 -0.018 0.000 1.204 741 I CA 2.409 63.682 61.300 -0.044 0.000 1.444 741 I CB -0.445 37.527 38.000 -0.046 0.000 1.094 741 I HN 0.600 nan 8.210 nan 0.000 0.451 742 E N -0.847 119.357 120.200 0.006 0.000 2.418 742 E HA -0.146 4.207 4.350 0.005 0.000 0.197 742 E C 1.955 178.592 176.600 0.062 0.000 1.026 742 E CA 0.464 56.883 56.400 0.032 0.000 0.862 742 E CB -0.078 29.664 29.700 0.070 0.000 0.799 742 E HN 0.397 nan 8.360 nan 0.000 0.518 743 M N 0.672 120.321 119.600 0.081 0.000 2.460 743 M HA -0.153 4.330 4.480 0.005 0.000 0.263 743 M C 2.073 178.406 176.300 0.055 0.000 1.071 743 M CA 1.102 56.500 55.300 0.164 0.000 1.096 743 M CB -0.535 32.136 32.600 0.118 0.000 1.408 743 M HN 0.162 nan 8.290 nan 0.000 0.463 744 Q N 0.942 120.725 119.800 -0.029 0.000 2.182 744 Q HA -0.210 4.133 4.340 0.005 0.000 0.213 744 Q C -1.001 174.913 176.000 -0.143 0.000 1.000 744 Q CA 2.217 57.979 55.803 -0.069 0.000 0.889 744 Q CB -1.399 27.299 28.738 -0.065 0.000 0.932 744 Q HN 0.304 nan 8.270 nan 0.000 0.415 745 P HA -0.112 nan 4.420 nan 0.000 0.220 745 P C 0.408 177.471 177.300 -0.394 0.000 1.148 745 P CA 1.268 64.101 63.100 -0.446 0.000 0.803 745 P CB -0.315 30.927 31.700 -0.763 0.000 0.782 746 Y N -1.867 118.438 120.300 0.008 0.000 2.510 746 Y HA 0.040 4.593 4.550 0.005 0.000 0.273 746 Y C 2.219 178.115 175.900 -0.008 0.000 1.119 746 Y CA -0.469 57.636 58.100 0.008 0.000 1.286 746 Y CB -0.541 37.928 38.460 0.014 0.000 1.061 746 Y HN -0.192 nan 8.280 nan 0.000 0.542 747 I N 1.787 122.405 120.570 0.080 0.000 2.087 747 I HA -0.250 3.923 4.170 0.005 0.000 0.240 747 I C -0.333 175.774 176.117 -0.016 0.000 1.054 747 I CA 1.612 62.919 61.300 0.013 0.000 1.311 747 I CB -2.491 35.499 38.000 -0.017 0.000 1.024 747 I HN 0.138 nan 8.210 nan 0.000 0.402 748 P HA -0.129 nan 4.420 nan 0.000 0.225 748 P C 1.768 179.123 177.300 0.092 0.000 1.148 748 P CA 1.323 64.452 63.100 0.049 0.000 0.779 748 P CB -0.107 31.638 31.700 0.075 0.000 0.780 749 M N -0.818 118.835 119.600 0.088 0.000 2.447 749 M HA -0.014 4.470 4.480 0.005 0.000 0.264 749 M C 1.965 178.315 176.300 0.083 0.000 1.095 749 M CA 1.171 56.535 55.300 0.107 0.000 1.125 749 M CB -0.845 31.844 32.600 0.149 0.000 1.389 749 M HN -0.024 nan 8.290 nan 0.000 0.459 750 V N -4.054 115.889 119.914 0.048 0.000 3.250 750 V HA 0.081 4.205 4.120 0.005 0.000 0.240 750 V C 2.073 178.151 176.094 -0.026 0.000 1.275 750 V CA 0.011 62.321 62.300 0.017 0.000 1.206 750 V CB -0.858 30.968 31.823 0.006 0.000 0.976 750 V HN 0.217 nan 8.190 nan 0.000 0.467 751 L N 1.546 122.706 121.223 -0.105 0.000 2.021 751 L HA -0.206 4.138 4.340 0.005 0.000 0.215 751 L C 2.729 179.493 176.870 -0.178 0.000 1.074 751 L CA 2.598 57.317 54.840 -0.201 0.000 0.760 751 L CB -1.224 40.639 42.059 -0.327 0.000 0.889 751 L HN 0.483 nan 8.230 nan 0.000 0.433 752 H N -0.859 118.232 119.070 0.036 0.000 2.495 752 H HA -0.053 4.505 4.556 0.004 0.000 0.287 752 H C 2.140 177.491 175.328 0.038 0.000 1.033 752 H CA 1.343 57.417 56.048 0.043 0.000 1.307 752 H CB -0.017 29.770 29.762 0.041 0.000 1.401 752 H HN 0.624 nan 8.280 nan 0.000 0.555 753 Q N 0.307 120.177 119.800 0.116 0.000 2.083 753 Q HA -0.029 4.315 4.340 0.005 0.000 0.198 753 Q C 2.550 178.583 176.000 0.055 0.000 0.969 753 Q CA 0.602 56.452 55.803 0.079 0.000 0.838 753 Q CB 0.127 28.899 28.738 0.057 0.000 0.900 753 Q HN 0.385 nan 8.270 nan 0.000 0.436 754 L N 0.084 121.324 121.223 0.028 0.000 2.046 754 L HA -0.179 4.165 4.340 0.005 0.000 0.208 754 L C 2.380 179.271 176.870 0.036 0.000 1.077 754 L CA 0.817 55.664 54.840 0.013 0.000 0.747 754 L CB -0.490 41.551 42.059 -0.030 0.000 0.896 754 L HN 0.068 nan 8.230 nan 0.000 0.432 755 V N -0.273 119.673 119.914 0.054 0.000 2.427 755 V HA -0.273 3.851 4.120 0.005 0.000 0.248 755 V C 2.456 178.619 176.094 0.114 0.000 1.051 755 V CA 1.814 64.182 62.300 0.113 0.000 1.048 755 V CB -0.415 31.510 31.823 0.170 0.000 0.666 755 V HN 0.485 nan 8.190 nan 0.000 0.456 756 E N 0.145 120.405 120.200 0.099 0.000 2.028 756 E HA -0.212 4.142 4.350 0.005 0.000 0.191 756 E C 2.241 178.879 176.600 0.064 0.000 0.988 756 E CA 1.577 58.025 56.400 0.079 0.000 0.799 756 E CB -0.155 29.588 29.700 0.073 0.000 0.755 756 E HN 0.571 nan 8.360 nan 0.000 0.447 757 I N 1.047 121.652 120.570 0.058 0.000 2.151 757 I HA -0.300 3.873 4.170 0.005 0.000 0.243 757 I C 2.579 178.727 176.117 0.052 0.000 1.080 757 I CA 1.083 62.412 61.300 0.048 0.000 1.339 757 I CB -0.167 37.858 38.000 0.041 0.000 1.039 757 I HN 0.261 nan 8.210 nan 0.000 0.409 758 I N 0.576 121.186 120.570 0.067 0.000 2.614 758 I HA -0.271 3.903 4.170 0.005 0.000 0.258 758 I C 1.184 177.350 176.117 0.082 0.000 1.189 758 I CA 1.591 62.940 61.300 0.081 0.000 1.462 758 I CB -0.182 37.889 38.000 0.119 0.000 1.092 758 I HN 0.304 nan 8.210 nan 0.000 0.442 759 N N -0.030 118.716 118.700 0.076 0.000 2.230 759 N HA 0.062 4.806 4.740 0.005 0.000 0.202 759 N C 0.319 175.856 175.510 0.045 0.000 1.119 759 N CA -0.214 52.874 53.050 0.062 0.000 0.851 759 N CB 0.247 38.772 38.487 0.063 0.000 0.990 759 N HN 0.133 nan 8.380 nan 0.000 0.497 760 R N 2.073 122.598 120.500 0.041 0.000 2.265 760 R HA 0.263 4.606 4.340 0.005 0.000 0.314 760 R C -2.644 173.670 176.300 0.024 0.000 1.053 760 R CA -1.524 54.594 56.100 0.030 0.000 0.931 760 R CB 0.547 30.863 30.300 0.027 0.000 1.024 760 R HN -0.096 nan 8.270 nan 0.000 0.457 761 P HA 0.114 nan 4.420 nan 0.000 0.274 761 P C -1.039 176.266 177.300 0.008 0.000 1.246 761 P CA -0.185 62.924 63.100 0.015 0.000 0.795 761 P CB 0.346 32.054 31.700 0.013 0.000 1.006 762 N N -2.205 116.498 118.700 0.005 0.000 2.725 762 N HA -0.124 4.619 4.740 0.005 0.000 0.251 762 N C -1.013 174.495 175.510 -0.002 0.000 1.031 762 N CA 0.618 53.667 53.050 -0.001 0.000 0.720 762 N CB -1.537 36.946 38.487 -0.006 0.000 0.930 762 N HN 0.357 nan 8.380 nan 0.000 0.543 763 T N 0.662 115.218 114.554 0.003 0.000 2.786 763 T HA 0.400 4.753 4.350 0.005 0.000 0.283 763 T C -2.158 172.542 174.700 0.000 0.000 0.992 763 T CA -1.119 60.983 62.100 0.003 0.000 0.954 763 T CB 1.658 70.533 68.868 0.011 0.000 0.934 763 T HN -0.108 nan 8.240 nan 0.000 0.440 764 P HA -0.026 nan 4.420 nan 0.000 0.266 764 P C 0.889 178.183 177.300 -0.009 0.000 1.180 764 P CA -0.059 63.036 63.100 -0.008 0.000 0.765 764 P CB 0.694 32.390 31.700 -0.007 0.000 0.806 765 K N 0.651 121.041 120.400 -0.016 0.000 2.148 765 K HA -0.126 4.197 4.320 0.005 0.000 0.204 765 K C 1.403 177.986 176.600 -0.029 0.000 1.050 765 K CA 1.848 58.122 56.287 -0.022 0.000 0.942 765 K CB -1.005 31.478 32.500 -0.027 0.000 0.724 765 K HN 0.491 nan 8.250 nan 0.000 0.446 766 T N -0.119 114.418 114.554 -0.029 0.000 2.904 766 T HA -0.073 4.281 4.350 0.005 0.000 0.267 766 T C 1.876 176.564 174.700 -0.021 0.000 1.059 766 T CA 0.675 62.754 62.100 -0.034 0.000 1.137 766 T CB -0.262 68.580 68.868 -0.042 0.000 0.879 766 T HN 0.157 nan 8.240 nan 0.000 0.467 767 L N 0.655 121.873 121.223 -0.008 0.000 2.017 767 L HA 0.133 4.476 4.340 0.005 0.000 0.208 767 L C 2.224 179.098 176.870 0.006 0.000 1.073 767 L CA 1.412 56.256 54.840 0.008 0.000 0.745 767 L CB -1.251 40.817 42.059 0.015 0.000 0.894 767 L HN 0.161 nan 8.230 nan 0.000 0.432 768 L N -0.040 121.182 121.223 -0.002 0.000 2.043 768 L HA -0.245 4.098 4.340 0.005 0.000 0.212 768 L C 2.573 179.423 176.870 -0.033 0.000 1.075 768 L CA 1.758 56.594 54.840 -0.006 0.000 0.752 768 L CB -1.103 40.953 42.059 -0.006 0.000 0.891 768 L HN 0.422 nan 8.230 nan 0.000 0.432 769 E N -0.851 119.322 120.200 -0.045 0.000 2.031 769 E HA -0.201 4.152 4.350 0.005 0.000 0.193 769 E C 1.900 178.473 176.600 -0.045 0.000 0.994 769 E CA 1.318 57.674 56.400 -0.072 0.000 0.800 769 E CB -0.136 29.524 29.700 -0.066 0.000 0.752 769 E HN 0.537 nan 8.360 nan 0.000 0.447 770 N N 0.121 118.822 118.700 0.003 0.000 2.244 770 N HA -0.085 4.659 4.740 0.005 0.000 0.183 770 N C 1.807 177.349 175.510 0.053 0.000 1.016 770 N CA 1.211 54.299 53.050 0.062 0.000 0.866 770 N CB -0.268 38.286 38.487 0.111 0.000 0.980 770 N HN 0.131 nan 8.380 nan 0.000 0.430 771 T N 1.450 116.021 114.554 0.027 0.000 2.708 771 T HA -0.086 4.267 4.350 0.005 0.000 0.266 771 T C 2.121 176.838 174.700 0.029 0.000 1.037 771 T CA 1.428 63.544 62.100 0.026 0.000 1.146 771 T CB -0.301 68.583 68.868 0.027 0.000 0.865 771 T HN 0.329 nan 8.240 nan 0.000 0.435 772 A N 1.045 123.855 122.820 -0.018 0.000 1.877 772 A HA -0.038 4.286 4.320 0.005 0.000 0.216 772 A C 2.310 179.903 177.584 0.015 0.000 1.186 772 A CA 1.301 53.282 52.037 -0.094 0.000 0.620 772 A CB -0.835 17.885 19.000 -0.467 0.000 0.822 772 A HN 0.508 nan 8.150 nan 0.000 0.443 773 I N -0.620 119.945 120.570 -0.009 0.000 2.179 773 I HA -0.237 3.937 4.170 0.005 0.000 0.242 773 I C 2.634 178.828 176.117 0.128 0.000 1.088 773 I CA 1.863 63.212 61.300 0.082 0.000 1.357 773 I CB -0.505 37.552 38.000 0.095 0.000 1.051 773 I HN 0.257 nan 8.210 nan 0.000 0.409 774 T N 0.913 115.519 114.554 0.087 0.000 2.777 774 T HA -0.088 4.265 4.350 0.005 0.000 0.266 774 T C 1.925 176.640 174.700 0.024 0.000 1.040 774 T CA 1.237 63.367 62.100 0.050 0.000 1.141 774 T CB -0.257 68.626 68.868 0.025 0.000 0.868 774 T HN 0.208 nan 8.240 nan 0.000 0.444 775 I N 1.246 121.817 120.570 0.001 0.000 2.151 775 I HA -0.184 3.989 4.170 0.005 0.000 0.243 775 I C 2.870 178.942 176.117 -0.075 0.000 1.080 775 I CA 1.448 62.665 61.300 -0.138 0.000 1.339 775 I CB -0.772 37.022 38.000 -0.343 0.000 1.039 775 I HN 0.323 nan 8.210 nan 0.000 0.409 776 G N 0.407 109.302 108.800 0.158 0.000 2.446 776 G HA2 -0.264 3.699 3.960 0.005 0.000 0.217 776 G HA3 -0.264 3.699 3.960 0.005 0.000 0.217 776 G C 1.818 176.814 174.900 0.159 0.000 1.168 776 G CA 0.704 45.935 45.100 0.219 0.000 0.771 776 G HN 0.302 nan 8.290 nan 0.000 0.551 777 R N -0.422 120.166 120.500 0.146 0.000 2.090 777 R HA 0.168 4.511 4.340 0.005 0.000 0.228 777 R C 2.655 179.026 176.300 0.119 0.000 1.110 777 R CA 0.579 56.770 56.100 0.150 0.000 0.973 777 R CB -0.332 30.028 30.300 0.100 0.000 0.869 777 R HN 0.330 nan 8.270 nan 0.000 0.440 778 L N -0.751 120.502 121.223 0.051 0.000 2.093 778 L HA -0.077 4.266 4.340 0.005 0.000 0.208 778 L C 2.424 179.310 176.870 0.028 0.000 1.085 778 L CA 1.321 56.172 54.840 0.019 0.000 0.755 778 L CB -0.543 41.502 42.059 -0.024 0.000 0.904 778 L HN 0.360 nan 8.230 nan 0.000 0.435 779 G N -1.457 107.364 108.800 0.036 0.000 2.448 779 G HA2 -0.302 3.661 3.960 0.005 0.000 0.218 779 G HA3 -0.302 3.661 3.960 0.005 0.000 0.218 779 G C 1.440 176.420 174.900 0.133 0.000 1.135 779 G CA 0.174 45.307 45.100 0.055 0.000 0.784 779 G HN 0.281 nan 8.290 nan 0.000 0.543 780 Y N 1.805 122.116 120.300 0.018 0.000 2.220 780 Y HA -0.081 4.472 4.550 0.005 0.000 0.291 780 Y C 2.666 178.575 175.900 0.014 0.000 1.129 780 Y CA 1.402 59.519 58.100 0.029 0.000 1.161 780 Y CB -0.286 38.202 38.460 0.046 0.000 0.997 780 Y HN 0.132 nan 8.280 nan 0.000 0.522 781 V N -3.315 116.552 119.914 -0.079 0.000 2.825 781 V HA 0.078 4.201 4.120 0.005 0.000 0.246 781 V C 0.901 176.941 176.094 -0.091 0.000 1.068 781 V CA 0.846 63.043 62.300 -0.172 0.000 1.088 781 V CB -0.782 30.969 31.823 -0.120 0.000 0.733 781 V HN 0.290 nan 8.190 nan 0.000 0.468 782 C N 2.772 122.051 119.300 -0.035 0.000 3.075 782 C HA 0.518 4.981 4.460 0.005 0.000 0.262 782 C C -0.783 174.204 174.990 -0.004 0.000 1.371 782 C CA -0.611 58.393 59.018 -0.023 0.000 1.594 782 C CB 0.119 27.849 27.740 -0.016 0.000 1.849 782 C HN 0.456 nan 8.230 nan 0.000 0.475 783 P HA -0.193 nan 4.420 nan 0.000 0.215 783 P C 1.501 178.810 177.300 0.016 0.000 1.153 783 P CA 1.656 64.768 63.100 0.021 0.000 0.853 783 P CB 0.250 31.964 31.700 0.024 0.000 0.788 784 Q N 0.168 119.970 119.800 0.004 0.000 2.124 784 Q HA -0.172 4.171 4.340 0.005 0.000 0.202 784 Q C 2.024 178.028 176.000 0.008 0.000 0.977 784 Q CA 1.561 57.366 55.803 0.003 0.000 0.850 784 Q CB -0.611 28.125 28.738 -0.005 0.000 0.901 784 Q HN 0.370 nan 8.270 nan 0.000 0.429 785 E N -0.459 119.743 120.200 0.004 0.000 2.158 785 E HA -0.045 4.308 4.350 0.005 0.000 0.191 785 E C 1.963 178.570 176.600 0.011 0.000 0.982 785 E CA 0.566 56.968 56.400 0.004 0.000 0.823 785 E CB 0.247 29.941 29.700 -0.009 0.000 0.766 785 E HN 0.086 nan 8.360 nan 0.000 0.468 786 V N -0.061 119.866 119.914 0.020 0.000 3.263 786 V HA 0.156 4.280 4.120 0.005 0.000 0.248 786 V C 2.011 178.172 176.094 0.113 0.000 1.145 786 V CA 0.859 63.185 62.300 0.044 0.000 1.107 786 V CB -0.108 31.720 31.823 0.008 0.000 0.797 786 V HN 0.241 nan 8.190 nan 0.000 0.467 787 A N 1.297 124.162 122.820 0.075 0.000 1.948 787 A HA -0.148 4.175 4.320 0.005 0.000 0.220 787 A C 0.363 177.966 177.584 0.032 0.000 1.177 787 A CA 2.208 54.280 52.037 0.058 0.000 0.636 787 A CB -1.797 17.219 19.000 0.026 0.000 0.815 787 A HN 0.533 nan 8.150 nan 0.000 0.449 788 P HA -0.067 nan 4.420 nan 0.000 0.225 788 P C 1.060 178.374 177.300 0.025 0.000 1.148 788 P CA 0.974 64.088 63.100 0.023 0.000 0.779 788 P CB -0.063 31.660 31.700 0.039 0.000 0.780 789 M N -2.276 117.375 119.600 0.085 0.000 2.556 789 M HA 0.064 4.547 4.480 0.005 0.000 0.245 789 M C 1.489 177.648 176.300 -0.234 0.000 1.128 789 M CA 0.253 55.615 55.300 0.104 0.000 1.069 789 M CB -0.948 31.845 32.600 0.322 0.000 1.469 789 M HN -0.162 nan 8.290 nan 0.000 0.494 790 L N 0.571 121.552 121.223 -0.403 0.000 2.058 790 L HA -0.351 3.992 4.340 0.005 0.000 0.226 790 L C 2.121 178.470 176.870 -0.867 0.000 1.089 790 L CA 2.180 56.467 54.840 -0.921 0.000 0.799 790 L CB -0.952 40.862 42.059 -0.408 0.000 0.900 790 L HN 0.344 nan 8.230 nan 0.000 0.442 791 Q N -1.142 118.404 119.800 -0.423 0.000 2.112 791 Q HA -0.254 4.089 4.340 0.005 0.000 0.206 791 Q C 2.231 178.068 176.000 -0.272 0.000 0.987 791 Q CA 2.179 57.814 55.803 -0.281 0.000 0.858 791 Q CB -0.299 28.351 28.738 -0.148 0.000 0.905 791 Q HN 0.642 nan 8.270 nan 0.000 0.420 792 Q N -1.146 118.514 119.800 -0.235 0.000 2.378 792 Q HA -0.028 4.316 4.340 0.005 0.000 0.205 792 Q C 1.053 177.060 176.000 0.010 0.000 0.954 792 Q CA 0.890 56.653 55.803 -0.068 0.000 0.901 792 Q CB 0.276 29.045 28.738 0.051 0.000 0.981 792 Q HN 0.598 nan 8.270 nan 0.000 0.483 793 F N -3.574 116.362 119.950 -0.025 0.000 2.778 793 F HA 0.255 4.783 4.527 0.002 0.000 0.314 793 F C 1.509 177.321 175.800 0.019 0.000 1.073 793 F CA -0.595 57.411 58.000 0.009 0.000 1.218 793 F CB -0.457 38.561 39.000 0.030 0.000 1.037 793 F HN -0.160 nan 8.300 nan 0.000 0.594 794 I N 2.118 122.502 120.570 -0.311 0.000 2.185 794 I HA -0.303 3.870 4.170 0.005 0.000 0.246 794 I C 2.491 178.625 176.117 0.029 0.000 1.088 794 I CA 1.766 62.983 61.300 -0.138 0.000 1.347 794 I CB -0.316 37.508 38.000 -0.293 0.000 1.041 794 I HN 0.113 nan 8.210 nan 0.000 0.415 795 R N 0.881 121.284 120.500 -0.162 0.000 2.096 795 R HA -0.121 4.222 4.340 0.005 0.000 0.229 795 R C -0.290 175.999 176.300 -0.017 0.000 1.134 795 R CA 2.128 58.007 56.100 -0.369 0.000 0.917 795 R CB -2.376 27.579 30.300 -0.575 0.000 0.832 795 R HN 0.412 nan 8.270 nan 0.000 0.430 796 P HA -0.187 nan 4.420 nan 0.000 0.221 796 P C 0.968 178.389 177.300 0.201 0.000 1.150 796 P CA 0.949 64.128 63.100 0.132 0.000 0.800 796 P CB -0.217 31.551 31.700 0.113 0.000 0.787 797 W N 0.891 122.248 121.300 0.096 0.000 2.317 797 W HA -0.250 4.411 4.660 0.002 0.000 0.318 797 W C 2.390 178.963 176.519 0.089 0.000 1.227 797 W CA 1.863 59.272 57.345 0.106 0.000 1.269 797 W CB -0.996 28.587 29.460 0.204 0.000 1.155 797 W HN -0.044 nan 8.180 nan 0.000 0.484 798 C N -0.253 119.358 119.300 0.519 0.000 2.429 798 C HA -0.194 4.270 4.460 0.005 0.000 0.277 798 C C 2.588 177.704 174.990 0.210 0.000 1.262 798 C CA 1.893 61.150 59.018 0.399 0.000 1.733 798 C CB -1.446 26.593 27.740 0.499 0.000 2.010 798 C HN 0.423 nan 8.230 nan 0.000 0.483 799 T N -0.048 114.647 114.554 0.235 0.000 2.788 799 T HA -0.181 4.172 4.350 0.005 0.000 0.268 799 T C 1.989 176.719 174.700 0.049 0.000 1.044 799 T CA 1.878 64.075 62.100 0.161 0.000 1.139 799 T CB -0.341 68.641 68.868 0.190 0.000 0.867 799 T HN 0.631 nan 8.240 nan 0.000 0.454 800 S N 0.503 116.205 115.700 0.003 0.000 2.362 800 S HA 0.025 4.498 4.470 0.005 0.000 0.221 800 S C 1.781 176.300 174.600 -0.135 0.000 1.032 800 S CA 0.460 58.618 58.200 -0.070 0.000 0.973 800 S CB -0.263 62.880 63.200 -0.096 0.000 0.849 800 S HN 0.198 nan 8.310 nan 0.000 0.465 801 L N 2.367 123.451 121.223 -0.233 0.000 2.418 801 L HA 0.266 4.609 4.340 0.005 0.000 0.218 801 L C 2.256 179.061 176.870 -0.107 0.000 1.125 801 L CA 0.997 55.682 54.840 -0.259 0.000 0.835 801 L CB -0.778 40.922 42.059 -0.598 0.000 0.953 801 L HN 0.507 nan 8.230 nan 0.000 0.454 802 R N -1.428 119.041 120.500 -0.051 0.000 2.285 802 R HA -0.010 4.333 4.340 0.005 0.000 0.213 802 R C 0.909 177.148 176.300 -0.101 0.000 1.068 802 R CA 1.109 57.179 56.100 -0.050 0.000 1.004 802 R CB -0.444 29.851 30.300 -0.008 0.000 0.873 802 R HN 0.209 nan 8.270 nan 0.000 0.467 803 N N 0.983 119.623 118.700 -0.099 0.000 2.234 803 N HA 0.173 4.917 4.740 0.005 0.000 0.227 803 N C -0.172 175.272 175.510 -0.111 0.000 1.151 803 N CA -0.056 52.937 53.050 -0.095 0.000 0.865 803 N CB 0.773 39.221 38.487 -0.066 0.000 1.066 803 N HN 0.398 nan 8.380 nan 0.000 0.515 804 I N -1.994 118.487 120.570 -0.148 0.000 2.693 804 I HA 0.556 4.730 4.170 0.005 0.000 0.303 804 I C -0.147 175.845 176.117 -0.209 0.000 1.025 804 I CA -1.131 60.078 61.300 -0.152 0.000 1.086 804 I CB 1.547 39.465 38.000 -0.136 0.000 1.268 804 I HN -0.347 nan 8.210 nan 0.000 0.440 805 R N 2.422 122.823 120.500 -0.166 0.000 2.734 805 R HA 0.123 4.466 4.340 0.005 0.000 0.266 805 R C -0.757 175.384 176.300 -0.264 0.000 1.044 805 R CA -0.138 55.857 56.100 -0.175 0.000 1.128 805 R CB -0.076 30.166 30.300 -0.097 0.000 1.010 805 R HN 0.543 nan 8.270 nan 0.000 0.461 806 D N 2.052 122.270 120.400 -0.304 0.000 2.472 806 D HA 0.035 4.679 4.640 0.005 0.000 0.248 806 D C -0.078 176.175 176.300 -0.078 0.000 1.174 806 D CA 0.610 54.407 54.000 -0.338 0.000 0.883 806 D CB 0.201 40.957 40.800 -0.073 0.000 1.149 806 D HN 0.547 nan 8.370 nan 0.000 0.488 807 N N -0.327 118.367 118.700 -0.008 0.000 3.277 807 N HA 0.105 4.848 4.740 0.005 0.000 0.278 807 N C 0.478 176.089 175.510 0.169 0.000 1.544 807 N CA -0.698 52.401 53.050 0.083 0.000 0.869 807 N CB 0.661 39.170 38.487 0.037 0.000 1.584 807 N HN 0.001 nan 8.380 nan 0.000 0.564 808 E N -0.096 120.188 120.200 0.140 0.000 2.110 808 E HA -0.129 4.224 4.350 0.005 0.000 0.193 808 E C 0.831 177.535 176.600 0.173 0.000 0.988 808 E CA 1.816 58.305 56.400 0.150 0.000 0.804 808 E CB -0.089 29.680 29.700 0.115 0.000 0.745 808 E HN 0.637 nan 8.360 nan 0.000 0.458 809 E N 0.204 120.504 120.200 0.167 0.000 2.072 809 E HA -0.149 4.204 4.350 0.005 0.000 0.190 809 E C 2.083 178.817 176.600 0.222 0.000 0.982 809 E CA 0.867 57.376 56.400 0.181 0.000 0.803 809 E CB -0.153 29.649 29.700 0.171 0.000 0.755 809 E HN 0.174 nan 8.360 nan 0.000 0.453 810 K N 1.126 121.656 120.400 0.216 0.000 2.057 810 K HA -0.228 4.095 4.320 0.005 0.000 0.207 810 K C 1.861 178.879 176.600 0.697 0.000 1.049 810 K CA 1.817 58.301 56.287 0.327 0.000 0.931 810 K CB -0.066 32.409 32.500 -0.041 0.000 0.714 810 K HN -0.008 nan 8.250 nan 0.000 0.440 811 D N -0.429 120.339 120.400 0.613 0.000 2.104 811 D HA -0.166 4.477 4.640 0.005 0.000 0.194 811 D C 1.921 178.386 176.300 0.275 0.000 0.994 811 D CA 1.619 55.885 54.000 0.443 0.000 0.830 811 D CB -0.126 40.814 40.800 0.233 0.000 0.959 811 D HN 0.067 nan 8.370 nan 0.000 0.452 812 S N -1.134 114.691 115.700 0.208 0.000 2.359 812 S HA -0.214 4.259 4.470 0.005 0.000 0.224 812 S C 2.052 176.735 174.600 0.138 0.000 1.035 812 S CA 1.593 59.848 58.200 0.092 0.000 1.018 812 S CB -0.619 62.650 63.200 0.114 0.000 0.876 812 S HN 0.434 nan 8.310 nan 0.000 0.448 813 A N -0.206 122.799 122.820 0.307 0.000 1.930 813 A HA 0.059 4.383 4.320 0.005 0.000 0.217 813 A C 1.842 179.724 177.584 0.497 0.000 1.175 813 A CA 1.281 53.555 52.037 0.395 0.000 0.627 813 A CB -0.810 18.408 19.000 0.364 0.000 0.815 813 A HN 0.591 nan 8.150 nan 0.000 0.443 814 F N -0.092 120.147 119.950 0.482 0.000 2.367 814 F HA 0.019 4.549 4.527 0.006 0.000 0.298 814 F C 2.466 178.418 175.800 0.253 0.000 1.094 814 F CA 0.923 59.259 58.000 0.560 0.000 1.409 814 F CB -0.105 39.339 39.000 0.739 0.000 1.064 814 F HN 0.116 nan 8.300 nan 0.000 0.528 815 R N -0.157 120.437 120.500 0.157 0.000 2.081 815 R HA -0.099 4.244 4.340 0.005 0.000 0.235 815 R C 2.564 178.853 176.300 -0.018 0.000 1.131 815 R CA 1.227 57.253 56.100 -0.124 0.000 0.960 815 R CB -1.213 28.720 30.300 -0.612 0.000 0.856 815 R HN 0.378 nan 8.270 nan 0.000 0.436 816 G N 1.563 110.383 108.800 0.034 0.000 2.433 816 G HA2 -0.267 3.696 3.960 0.005 0.000 0.216 816 G HA3 -0.267 3.696 3.960 0.005 0.000 0.216 816 G C 1.364 176.319 174.900 0.092 0.000 1.186 816 G CA 0.471 45.668 45.100 0.162 0.000 0.779 816 G HN 0.170 nan 8.290 nan 0.000 0.543 817 I N 0.571 121.150 120.570 0.014 0.000 2.264 817 I HA -0.141 4.032 4.170 0.005 0.000 0.248 817 I C 2.709 178.829 176.117 0.006 0.000 1.111 817 I CA 0.718 61.924 61.300 -0.157 0.000 1.382 817 I CB -0.293 37.395 38.000 -0.520 0.000 1.060 817 I HN 0.232 nan 8.210 nan 0.000 0.418 818 C N -0.377 119.022 119.300 0.165 0.000 2.446 818 C HA -0.148 4.316 4.460 0.005 0.000 0.277 818 C C 2.753 177.817 174.990 0.124 0.000 1.275 818 C CA 1.578 60.712 59.018 0.192 0.000 1.727 818 C CB -1.390 26.498 27.740 0.248 0.000 2.010 818 C HN 0.527 nan 8.230 nan 0.000 0.486 819 T N 1.281 115.917 114.554 0.136 0.000 2.708 819 T HA -0.193 4.160 4.350 0.005 0.000 0.266 819 T C 1.736 176.484 174.700 0.081 0.000 1.037 819 T CA 1.584 63.763 62.100 0.132 0.000 1.146 819 T CB -0.320 68.672 68.868 0.206 0.000 0.865 819 T HN 0.492 nan 8.240 nan 0.000 0.435 820 M N 0.128 119.765 119.600 0.062 0.000 2.279 820 M HA 0.001 4.484 4.480 0.005 0.000 0.264 820 M C 2.114 178.416 176.300 0.003 0.000 1.062 820 M CA 1.376 56.694 55.300 0.030 0.000 1.099 820 M CB -0.604 32.016 32.600 0.032 0.000 1.394 820 M HN 0.237 nan 8.290 nan 0.000 0.426 821 I N -0.320 120.247 120.570 -0.004 0.000 2.233 821 I HA -0.233 3.940 4.170 0.005 0.000 0.243 821 I C 2.724 178.875 176.117 0.056 0.000 1.093 821 I CA 1.435 62.734 61.300 -0.001 0.000 1.380 821 I CB -0.294 37.666 38.000 -0.067 0.000 1.067 821 I HN 0.338 nan 8.210 nan 0.000 0.413 822 S N 0.200 115.938 115.700 0.064 0.000 2.447 822 S HA -0.091 4.382 4.470 0.005 0.000 0.233 822 S C 1.886 176.501 174.600 0.025 0.000 1.006 822 S CA 1.025 59.257 58.200 0.054 0.000 0.957 822 S CB -0.476 62.760 63.200 0.061 0.000 0.773 822 S HN 0.225 nan 8.310 nan 0.000 0.507 823 V N 2.024 121.952 119.914 0.024 0.000 2.331 823 V HA 0.108 4.232 4.120 0.005 0.000 0.242 823 V C 1.513 177.608 176.094 0.002 0.000 1.034 823 V CA 1.517 63.824 62.300 0.011 0.000 1.027 823 V CB -0.675 31.157 31.823 0.015 0.000 0.667 823 V HN 0.718 nan 8.190 nan 0.000 0.457 824 N N 0.215 118.916 118.700 0.002 0.000 2.813 824 N HA 0.174 4.917 4.740 0.005 0.000 0.282 824 N C -2.228 173.286 175.510 0.006 0.000 1.748 824 N CA -1.303 51.743 53.050 -0.007 0.000 0.860 824 N CB 1.679 40.156 38.487 -0.017 0.000 1.204 824 N HN 0.152 nan 8.380 nan 0.000 0.490 825 P HA -0.083 nan 4.420 nan 0.000 0.219 825 P C 0.951 178.327 177.300 0.128 0.000 1.146 825 P CA 1.142 64.308 63.100 0.110 0.000 0.808 825 P CB 0.252 31.931 31.700 -0.034 0.000 0.779 826 S N -0.907 114.815 115.700 0.036 0.000 2.481 826 S HA -0.013 4.460 4.470 0.005 0.000 0.231 826 S C 2.196 176.796 174.600 0.000 0.000 0.996 826 S CA 1.005 59.218 58.200 0.022 0.000 0.942 826 S CB -1.307 61.888 63.200 -0.008 0.000 0.768 826 S HN 0.268 nan 8.310 nan 0.000 0.520 827 G N 1.797 110.579 108.800 -0.030 0.000 2.448 827 G HA2 -0.121 3.842 3.960 0.005 0.000 0.219 827 G HA3 -0.121 3.842 3.960 0.005 0.000 0.219 827 G C 1.408 176.244 174.900 -0.107 0.000 1.127 827 G CA 1.237 46.276 45.100 -0.101 0.000 0.766 827 G HN 0.616 nan 8.290 nan 0.000 0.552 828 V N -2.635 117.257 119.914 -0.036 0.000 3.523 828 V HA 0.298 4.421 4.120 0.005 0.000 0.255 828 V C 2.361 178.510 176.094 0.093 0.000 1.226 828 V CA -0.215 62.073 62.300 -0.019 0.000 1.092 828 V CB -0.218 31.544 31.823 -0.102 0.000 0.817 828 V HN 0.106 nan 8.190 nan 0.000 0.458 829 I N 1.416 122.057 120.570 0.117 0.000 2.143 829 I HA -0.266 3.907 4.170 0.005 0.000 0.245 829 I C 2.788 178.944 176.117 0.065 0.000 1.068 829 I CA 2.176 63.537 61.300 0.102 0.000 1.326 829 I CB -0.779 37.282 38.000 0.102 0.000 1.028 829 I HN 0.456 nan 8.210 nan 0.000 0.412 830 Q N -0.290 119.544 119.800 0.058 0.000 2.291 830 Q HA -0.110 4.233 4.340 0.005 0.000 0.205 830 Q C 0.414 176.493 176.000 0.132 0.000 0.970 830 Q CA 1.001 56.844 55.803 0.068 0.000 0.876 830 Q CB -0.120 28.637 28.738 0.032 0.000 0.935 830 Q HN 0.591 nan 8.270 nan 0.000 0.455 831 D N -0.941 119.553 120.400 0.155 0.000 2.740 831 D HA 0.081 4.724 4.640 0.005 0.000 0.301 831 D C 0.462 176.994 176.300 0.386 0.000 1.408 831 D CA -0.310 53.847 54.000 0.261 0.000 0.808 831 D CB -0.197 40.621 40.800 0.030 0.000 1.128 831 D HN 0.010 nan 8.370 nan 0.000 0.465 832 F N 1.709 121.761 119.950 0.171 0.000 2.250 832 F HA -0.150 4.380 4.527 0.005 0.000 0.301 832 F C 1.893 177.976 175.800 0.472 0.000 1.077 832 F CA 0.890 58.986 58.000 0.160 0.000 1.348 832 F CB 0.132 39.033 39.000 -0.166 0.000 1.040 832 F HN 0.072 nan 8.300 nan 0.000 0.509 833 I N -0.679 120.298 120.570 0.679 0.000 2.286 833 I HA -0.322 3.851 4.170 0.005 0.000 0.248 833 I C 1.975 178.145 176.117 0.089 0.000 1.115 833 I CA 1.741 63.284 61.300 0.405 0.000 1.392 833 I CB -0.679 37.459 38.000 0.229 0.000 1.065 833 I HN 0.046 nan 8.210 nan 0.000 0.418 834 F N 0.322 120.340 119.950 0.115 0.000 2.186 834 F HA -0.233 4.296 4.527 0.003 0.000 0.299 834 F C 2.321 178.160 175.800 0.065 0.000 1.090 834 F CA 1.656 59.705 58.000 0.081 0.000 1.307 834 F CB -1.006 38.061 39.000 0.112 0.000 1.019 834 F HN 0.074 nan 8.300 nan 0.000 0.489 835 F N 0.244 120.208 119.950 0.023 0.000 2.113 835 F HA -0.212 4.317 4.527 0.004 0.000 0.297 835 F C 2.354 178.007 175.800 -0.246 0.000 1.103 835 F CA 1.101 59.007 58.000 -0.157 0.000 1.248 835 F CB -0.923 37.797 39.000 -0.468 0.000 0.999 835 F HN -0.036 nan 8.300 nan 0.000 0.475 836 C N 0.355 119.402 119.300 -0.421 0.000 2.413 836 C HA -0.200 4.263 4.460 0.005 0.000 0.276 836 C C 2.553 177.284 174.990 -0.432 0.000 1.248 836 C CA 1.555 60.276 59.018 -0.495 0.000 1.742 836 C CB -1.390 26.129 27.740 -0.370 0.000 2.017 836 C HN 0.653 nan 8.230 nan 0.000 0.481 837 D N 0.688 120.903 120.400 -0.309 0.000 2.178 837 D HA -0.052 4.591 4.640 0.005 0.000 0.202 837 D C 2.087 178.297 176.300 -0.150 0.000 0.974 837 D CA 1.386 55.244 54.000 -0.237 0.000 0.841 837 D CB -0.079 40.596 40.800 -0.209 0.000 0.953 837 D HN 0.403 nan 8.370 nan 0.000 0.478 838 A N -0.214 122.556 122.820 -0.084 0.000 1.897 838 A HA -0.014 4.309 4.320 0.005 0.000 0.215 838 A C 2.451 180.037 177.584 0.002 0.000 1.181 838 A CA 1.103 53.188 52.037 0.080 0.000 0.620 838 A CB -0.750 18.454 19.000 0.340 0.000 0.821 838 A HN 0.195 nan 8.150 nan 0.000 0.443 839 V N 0.093 119.795 119.914 -0.353 0.000 2.287 839 V HA -0.297 3.827 4.120 0.005 0.000 0.248 839 V C 3.047 179.011 176.094 -0.216 0.000 1.053 839 V CA 2.084 63.979 62.300 -0.676 0.000 1.027 839 V CB -1.123 29.960 31.823 -1.233 0.000 0.646 839 V HN 0.604 nan 8.190 nan 0.000 0.447 840 A N 0.387 123.107 122.820 -0.166 0.000 2.019 840 A HA -0.184 4.139 4.320 0.005 0.000 0.219 840 A C 2.450 180.030 177.584 -0.007 0.000 1.164 840 A CA 1.888 53.913 52.037 -0.019 0.000 0.644 840 A CB -0.686 18.254 19.000 -0.100 0.000 0.805 840 A HN 0.720 nan 8.150 nan 0.000 0.449 841 S N -2.031 113.629 115.700 -0.067 0.000 2.500 841 S HA -0.114 4.359 4.470 0.005 0.000 0.239 841 S C 0.247 174.754 174.600 -0.155 0.000 0.989 841 S CA -0.068 58.056 58.200 -0.127 0.000 0.951 841 S CB -0.572 62.526 63.200 -0.170 0.000 0.759 841 S HN 0.510 nan 8.310 nan 0.000 0.523 842 W N 1.071 122.306 121.300 -0.109 0.000 2.287 842 W HA 0.437 5.101 4.660 0.006 0.000 0.313 842 W C 1.135 177.660 176.519 0.011 0.000 1.267 842 W CA -1.099 56.224 57.345 -0.036 0.000 1.201 842 W CB 0.493 29.989 29.460 0.060 0.000 1.196 842 W HN 0.033 nan 8.180 nan 0.000 0.536 843 I N 1.761 122.470 120.570 0.232 0.000 2.405 843 I HA -0.087 4.086 4.170 0.005 0.000 0.236 843 I C 0.745 176.990 176.117 0.213 0.000 1.071 843 I CA 1.200 62.562 61.300 0.103 0.000 1.398 843 I CB -1.079 36.939 38.000 0.031 0.000 1.162 843 I HN 0.459 nan 8.210 nan 0.000 0.432 844 N N 2.320 121.198 118.700 0.297 0.000 2.898 844 N HA 0.273 5.016 4.740 0.005 0.000 0.245 844 N C -2.619 173.068 175.510 0.296 0.000 1.185 844 N CA -1.276 51.946 53.050 0.287 0.000 0.879 844 N CB 1.134 39.727 38.487 0.178 0.000 1.157 844 N HN -0.006 nan 8.380 nan 0.000 0.503 845 P HA 0.164 nan 4.420 nan 0.000 0.278 845 P C -0.369 176.860 177.300 -0.118 0.000 1.238 845 P CA -0.239 62.793 63.100 -0.114 0.000 0.794 845 P CB 1.065 32.586 31.700 -0.299 0.000 0.955 846 K N 1.227 121.512 120.400 -0.192 0.000 2.344 846 K HA -0.039 4.284 4.320 0.005 0.000 0.260 846 K C 0.897 177.392 176.600 -0.175 0.000 0.988 846 K CA 0.126 56.327 56.287 -0.143 0.000 0.909 846 K CB 0.178 32.593 32.500 -0.142 0.000 0.968 846 K HN 0.433 nan 8.250 nan 0.000 0.505 847 D N 1.696 122.023 120.400 -0.122 0.000 2.097 847 D HA -0.173 4.470 4.640 0.005 0.000 0.195 847 D C 1.465 177.680 176.300 -0.141 0.000 0.989 847 D CA 1.563 55.490 54.000 -0.121 0.000 0.827 847 D CB -0.175 40.578 40.800 -0.078 0.000 0.966 847 D HN 0.623 nan 8.370 nan 0.000 0.456 848 D N 0.793 121.113 120.400 -0.133 0.000 2.117 848 D HA -0.159 4.485 4.640 0.005 0.000 0.197 848 D C 2.254 178.427 176.300 -0.212 0.000 0.987 848 D CA 0.457 54.379 54.000 -0.130 0.000 0.829 848 D CB -0.806 39.939 40.800 -0.092 0.000 0.961 848 D HN 0.198 nan 8.370 nan 0.000 0.460 849 L N 0.403 121.431 121.223 -0.325 0.000 2.056 849 L HA -0.027 4.316 4.340 0.005 0.000 0.207 849 L C 2.499 178.909 176.870 -0.766 0.000 1.078 849 L CA 1.412 55.895 54.840 -0.596 0.000 0.749 849 L CB -0.591 41.030 42.059 -0.730 0.000 0.901 849 L HN -0.113 nan 8.230 nan 0.000 0.433 850 R N -0.206 120.012 120.500 -0.469 0.000 2.091 850 R HA -0.168 4.175 4.340 0.005 0.000 0.238 850 R C 1.790 178.062 176.300 -0.046 0.000 1.136 850 R CA 1.906 57.883 56.100 -0.205 0.000 0.959 850 R CB -0.488 29.683 30.300 -0.215 0.000 0.856 850 R HN 0.499 nan 8.270 nan 0.000 0.437 851 D N 0.061 120.402 120.400 -0.097 0.000 2.144 851 D HA -0.136 4.507 4.640 0.005 0.000 0.200 851 D C 2.005 178.316 176.300 0.019 0.000 0.978 851 D CA 1.104 55.096 54.000 -0.014 0.000 0.833 851 D CB -0.183 40.595 40.800 -0.037 0.000 0.961 851 D HN 0.254 nan 8.370 nan 0.000 0.470 852 M N -0.144 119.416 119.600 -0.065 0.000 2.080 852 M HA -0.158 4.326 4.480 0.005 0.000 0.260 852 M C 1.961 178.363 176.300 0.171 0.000 1.068 852 M CA 1.114 56.416 55.300 0.004 0.000 1.109 852 M CB -0.250 32.298 32.600 -0.086 0.000 1.342 852 M HN -0.068 nan 8.290 nan 0.000 0.405 853 F N -0.250 119.729 119.950 0.047 0.000 2.161 853 F HA -0.267 4.264 4.527 0.006 0.000 0.300 853 F C 2.805 178.589 175.800 -0.027 0.000 1.089 853 F CA 0.965 58.952 58.000 -0.022 0.000 1.282 853 F CB -1.582 37.251 39.000 -0.279 0.000 1.010 853 F HN 0.306 nan 8.300 nan 0.000 0.485 854 C N -0.134 119.312 119.300 0.244 0.000 2.466 854 C HA -0.103 4.360 4.460 0.005 0.000 0.278 854 C C 2.850 178.047 174.990 0.344 0.000 1.288 854 C CA 0.780 59.981 59.018 0.306 0.000 1.722 854 C CB -1.056 26.894 27.740 0.349 0.000 2.017 854 C HN 0.345 nan 8.230 nan 0.000 0.488 855 K N 0.617 121.162 120.400 0.243 0.000 2.063 855 K HA -0.031 4.293 4.320 0.005 0.000 0.208 855 K C 1.626 178.387 176.600 0.269 0.000 1.048 855 K CA 1.689 58.100 56.287 0.206 0.000 0.928 855 K CB -0.287 32.294 32.500 0.135 0.000 0.713 855 K HN 0.580 nan 8.250 nan 0.000 0.442 856 I N 0.055 120.829 120.570 0.339 0.000 2.202 856 I HA -0.260 3.913 4.170 0.005 0.000 0.242 856 I C 1.932 178.416 176.117 0.612 0.000 1.091 856 I CA 0.956 62.540 61.300 0.473 0.000 1.368 856 I CB -0.139 38.164 38.000 0.505 0.000 1.058 856 I HN 0.103 nan 8.210 nan 0.000 0.410 857 L N -0.309 121.210 121.223 0.494 0.000 2.017 857 L HA -0.249 4.094 4.340 0.005 0.000 0.208 857 L C 2.571 179.522 176.870 0.135 0.000 1.073 857 L CA 1.651 56.747 54.840 0.426 0.000 0.745 857 L CB -0.826 41.357 42.059 0.206 0.000 0.894 857 L HN 0.285 nan 8.230 nan 0.000 0.432 858 H N -0.803 118.334 119.070 0.112 0.000 2.423 858 H HA -0.082 4.478 4.556 0.006 0.000 0.297 858 H C 2.200 177.531 175.328 0.004 0.000 1.075 858 H CA 1.101 57.141 56.048 -0.013 0.000 1.342 858 H CB -0.296 29.470 29.762 0.008 0.000 1.395 858 H HN 0.330 nan 8.280 nan 0.000 0.530 859 G N 0.118 109.041 108.800 0.205 0.000 2.514 859 G HA2 -0.286 3.677 3.960 0.005 0.000 0.217 859 G HA3 -0.286 3.677 3.960 0.005 0.000 0.217 859 G C 1.192 176.059 174.900 -0.054 0.000 1.198 859 G CA 1.066 46.207 45.100 0.068 0.000 0.780 859 G HN 0.293 nan 8.290 nan 0.000 0.565 860 F N 0.952 120.861 119.950 -0.068 0.000 2.206 860 F HA 0.128 4.659 4.527 0.006 0.000 0.298 860 F C 2.560 178.303 175.800 -0.096 0.000 1.090 860 F CA 1.386 59.285 58.000 -0.168 0.000 1.323 860 F CB -0.188 38.527 39.000 -0.477 0.000 1.028 860 F HN 0.062 nan 8.300 nan 0.000 0.492 861 K N 0.412 120.795 120.400 -0.028 0.000 2.026 861 K HA -0.182 4.141 4.320 0.005 0.000 0.208 861 K C 1.532 178.088 176.600 -0.074 0.000 1.048 861 K CA 1.709 57.860 56.287 -0.228 0.000 0.929 861 K CB -0.170 31.814 32.500 -0.860 0.000 0.713 861 K HN 0.188 nan 8.250 nan 0.000 0.439 862 N N 0.534 119.195 118.700 -0.064 0.000 2.494 862 N HA -0.102 4.641 4.740 0.005 0.000 0.182 862 N C 1.586 177.070 175.510 -0.043 0.000 1.076 862 N CA 0.546 53.576 53.050 -0.033 0.000 0.908 862 N CB 0.209 38.688 38.487 -0.012 0.000 0.967 862 N HN 0.298 nan 8.380 nan 0.000 0.449 863 Q N 0.495 120.253 119.800 -0.071 0.000 2.178 863 Q HA 0.089 4.432 4.340 0.005 0.000 0.195 863 Q C 1.950 177.915 176.000 -0.060 0.000 0.960 863 Q CA 0.502 56.241 55.803 -0.106 0.000 0.843 863 Q CB -0.270 28.328 28.738 -0.233 0.000 0.927 863 Q HN 0.119 nan 8.270 nan 0.000 0.487 864 V N -0.305 119.597 119.914 -0.020 0.000 2.453 864 V HA 0.096 4.219 4.120 0.005 0.000 0.247 864 V C 0.812 176.934 176.094 0.048 0.000 1.048 864 V CA 1.797 64.108 62.300 0.018 0.000 1.049 864 V CB 0.118 31.970 31.823 0.049 0.000 0.672 864 V HN 0.560 nan 8.190 nan 0.000 0.457 865 G N -1.377 107.466 108.800 0.072 0.000 2.347 865 G HA2 -0.061 3.902 3.960 0.005 0.000 0.477 865 G HA3 -0.061 3.902 3.960 0.005 0.000 0.477 865 G C -0.334 174.635 174.900 0.115 0.000 1.349 865 G CA 0.087 45.230 45.100 0.072 0.000 1.000 865 G HN 0.047 nan 8.290 nan 0.000 0.605 866 D N 0.022 120.477 120.400 0.092 0.000 2.075 866 D HA -0.052 4.591 4.640 0.005 0.000 0.196 866 D C 2.263 178.664 176.300 0.168 0.000 0.985 866 D CA 1.847 55.913 54.000 0.110 0.000 0.834 866 D CB 0.099 40.943 40.800 0.074 0.000 0.987 866 D HN 0.551 nan 8.370 nan 0.000 0.452 867 E N 0.819 121.095 120.200 0.127 0.000 2.208 867 E HA -0.030 4.324 4.350 0.005 0.000 0.193 867 E C 1.758 178.441 176.600 0.139 0.000 0.988 867 E CA 0.300 56.773 56.400 0.122 0.000 0.828 867 E CB -0.186 29.560 29.700 0.078 0.000 0.763 867 E HN 0.309 nan 8.360 nan 0.000 0.478 868 N N 0.224 119.011 118.700 0.146 0.000 2.205 868 N HA -0.209 4.534 4.740 0.005 0.000 0.186 868 N C 1.422 177.058 175.510 0.210 0.000 1.015 868 N CA 0.995 54.130 53.050 0.143 0.000 0.862 868 N CB -0.233 38.328 38.487 0.123 0.000 0.986 868 N HN 0.383 nan 8.380 nan 0.000 0.429 869 W N 2.792 124.143 121.300 0.086 0.000 2.388 869 W HA -0.089 4.575 4.660 0.007 0.000 0.294 869 W C 2.360 178.948 176.519 0.114 0.000 1.212 869 W CA 0.761 58.194 57.345 0.146 0.000 1.271 869 W CB -0.147 29.395 29.460 0.137 0.000 1.126 869 W HN 0.046 nan 8.180 nan 0.000 0.535 870 R N 0.594 121.197 120.500 0.172 0.000 2.073 870 R HA -0.174 4.169 4.340 0.005 0.000 0.234 870 R C 2.494 178.733 176.300 -0.102 0.000 1.134 870 R CA 2.016 58.133 56.100 0.029 0.000 0.952 870 R CB -0.393 29.956 30.300 0.081 0.000 0.850 870 R HN 0.077 nan 8.270 nan 0.000 0.433 871 R N -0.759 119.718 120.500 -0.038 0.000 2.105 871 R HA -0.171 4.172 4.340 0.005 0.000 0.239 871 R C 2.188 178.416 176.300 -0.120 0.000 1.135 871 R CA 1.715 57.781 56.100 -0.057 0.000 0.967 871 R CB -0.442 29.860 30.300 0.004 0.000 0.861 871 R HN 0.305 nan 8.270 nan 0.000 0.442 872 F N 1.459 121.218 119.950 -0.317 0.000 2.293 872 F HA -0.114 4.415 4.527 0.004 0.000 0.297 872 F C 2.260 177.546 175.800 -0.857 0.000 1.089 872 F CA 1.248 58.976 58.000 -0.453 0.000 1.377 872 F CB 0.076 38.827 39.000 -0.416 0.000 1.051 872 F HN -0.036 nan 8.300 nan 0.000 0.511 873 S N -1.175 113.853 115.700 -1.120 0.000 2.527 873 S HA -0.087 4.386 4.470 0.005 0.000 0.222 873 S C 1.331 175.287 174.600 -1.073 0.000 0.985 873 S CA 0.768 57.930 58.200 -1.729 0.000 0.921 873 S CB -0.474 62.176 63.200 -0.916 0.000 0.772 873 S HN 0.325 nan 8.310 nan 0.000 0.529 874 D N 1.979 122.008 120.400 -0.619 0.000 2.264 874 D HA -0.033 4.610 4.640 0.005 0.000 0.208 874 D C 1.950 178.051 176.300 -0.331 0.000 0.966 874 D CA 0.875 54.666 54.000 -0.348 0.000 0.864 874 D CB -0.284 40.389 40.800 -0.212 0.000 0.933 874 D HN 0.509 nan 8.370 nan 0.000 0.499 875 Q N -0.551 118.958 119.800 -0.485 0.000 2.119 875 Q HA -0.023 4.320 4.340 0.005 0.000 0.201 875 Q C 0.104 176.003 176.000 -0.169 0.000 0.972 875 Q CA 0.348 55.956 55.803 -0.324 0.000 0.847 875 Q CB -0.013 28.507 28.738 -0.365 0.000 0.903 875 Q HN 0.183 nan 8.270 nan 0.000 0.433 876 F N 1.790 121.564 119.950 -0.292 0.000 2.623 876 F HA 0.074 4.604 4.527 0.004 0.000 0.383 876 F C -1.653 174.058 175.800 -0.147 0.000 1.077 876 F CA -2.744 55.118 58.000 -0.229 0.000 1.268 876 F CB -0.784 38.091 39.000 -0.208 0.000 1.053 876 F HN -0.011 nan 8.300 nan 0.000 0.571 877 P HA -0.014 nan 4.420 nan 0.000 0.270 877 P C 1.330 178.647 177.300 0.028 0.000 1.223 877 P CA -0.489 62.619 63.100 0.013 0.000 0.785 877 P CB 0.718 32.404 31.700 -0.024 0.000 0.923 878 L N 3.601 124.833 121.223 0.015 0.000 2.010 878 L HA -0.157 4.186 4.340 0.005 0.000 0.219 878 L C -0.849 176.029 176.870 0.014 0.000 1.077 878 L CA 2.988 57.840 54.840 0.020 0.000 0.773 878 L CB -2.365 39.699 42.059 0.008 0.000 0.892 878 L HN 0.381 nan 8.230 nan 0.000 0.436 879 P HA -0.114 nan 4.420 nan 0.000 0.223 879 P C 1.734 179.010 177.300 -0.041 0.000 1.151 879 P CA 0.749 63.833 63.100 -0.026 0.000 0.787 879 P CB 0.063 31.738 31.700 -0.040 0.000 0.788 880 L N 0.324 121.513 121.223 -0.057 0.000 2.071 880 L HA 0.029 4.373 4.340 0.005 0.000 0.201 880 L C 2.254 179.067 176.870 -0.096 0.000 1.076 880 L CA 1.930 56.688 54.840 -0.136 0.000 0.755 880 L CB -1.131 40.785 42.059 -0.239 0.000 0.915 880 L HN -0.293 nan 8.230 nan 0.000 0.445 881 K N -0.007 120.427 120.400 0.058 0.000 2.228 881 K HA -0.251 4.072 4.320 0.005 0.000 0.205 881 K C 1.909 178.609 176.600 0.167 0.000 1.045 881 K CA 1.955 58.388 56.287 0.243 0.000 0.931 881 K CB -0.172 32.480 32.500 0.253 0.000 0.727 881 K HN 0.397 nan 8.250 nan 0.000 0.458 882 E N -0.794 119.459 120.200 0.089 0.000 2.340 882 E HA 0.124 4.478 4.350 0.005 0.000 0.194 882 E C 1.664 178.300 176.600 0.060 0.000 0.996 882 E CA 0.169 56.614 56.400 0.075 0.000 0.869 882 E CB 0.156 29.881 29.700 0.041 0.000 0.835 882 E HN 0.131 nan 8.360 nan 0.000 0.493 883 R N 0.048 120.571 120.500 0.040 0.000 2.061 883 R HA -0.048 4.295 4.340 0.005 0.000 0.230 883 R C 1.775 178.175 176.300 0.166 0.000 1.140 883 R CA 0.875 57.000 56.100 0.042 0.000 0.940 883 R CB -0.598 29.710 30.300 0.014 0.000 0.839 883 R HN 0.221 nan 8.270 nan 0.000 0.429 884 L N 0.497 121.853 121.223 0.222 0.000 2.191 884 L HA -0.094 4.249 4.340 0.005 0.000 0.212 884 L C 2.338 179.418 176.870 0.350 0.000 1.103 884 L CA 1.653 56.730 54.840 0.394 0.000 0.769 884 L CB -1.522 40.720 42.059 0.304 0.000 0.908 884 L HN 0.169 nan 8.230 nan 0.000 0.438 885 A N -0.878 122.093 122.820 0.252 0.000 1.975 885 A HA 0.143 4.466 4.320 0.005 0.000 0.215 885 A C 2.434 180.116 177.584 0.163 0.000 1.170 885 A CA 1.172 53.335 52.037 0.210 0.000 0.656 885 A CB -0.299 18.815 19.000 0.189 0.000 0.821 885 A HN 0.334 nan 8.150 nan 0.000 0.449 886 A N -1.962 120.940 122.820 0.137 0.000 1.943 886 A HA 0.249 4.573 4.320 0.005 0.000 0.213 886 A C 1.970 179.643 177.584 0.148 0.000 1.181 886 A CA 0.902 53.003 52.037 0.107 0.000 0.653 886 A CB -0.432 18.599 19.000 0.052 0.000 0.833 886 A HN 0.521 nan 8.150 nan 0.000 0.451 887 F N -2.237 117.617 119.950 -0.160 0.000 2.374 887 F HA 0.046 4.576 4.527 0.005 0.000 0.291 887 F C 1.439 176.899 175.800 -0.567 0.000 1.084 887 F CA 0.699 58.423 58.000 -0.460 0.000 1.413 887 F CB 0.536 39.086 39.000 -0.750 0.000 1.099 887 F HN 0.307 nan 8.300 nan 0.000 0.534 888 Y N -0.747 119.681 120.300 0.213 0.000 2.471 888 Y HA 0.370 4.923 4.550 0.006 0.000 0.249 888 Y C 1.187 177.219 175.900 0.220 0.000 1.116 888 Y CA 0.159 58.355 58.100 0.161 0.000 1.240 888 Y CB 0.583 39.134 38.460 0.152 0.000 1.251 888 Y HN -0.005 nan 8.280 nan 0.000 0.527 889 G N 1.317 110.283 108.800 0.277 0.000 2.291 889 G HA2 -0.158 3.805 3.960 0.005 0.000 0.271 889 G HA3 -0.158 3.805 3.960 0.005 0.000 0.271 889 G C 0.017 175.004 174.900 0.145 0.000 1.099 889 G CA -0.185 45.057 45.100 0.237 0.000 0.919 889 G HN 0.519 nan 8.290 nan 0.000 0.496 890 V N 0.000 120.016 119.914 0.170 0.000 2.409 890 V HA 0.000 4.123 4.120 0.005 0.000 0.244 890 V CA 0.000 62.410 62.300 0.183 0.000 1.235 890 V CB 0.000 31.938 31.823 0.192 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556