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 2z5m_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 0.000 176.334 176.519 -0.308 0.000 1.175 5 W CA 0.000 57.163 57.345 -0.303 0.000 1.226 5 W CB 0.000 29.202 29.460 -0.430 0.000 1.126 6 K N 5.632 125.294 120.400 -1.229 0.000 2.469 6 K HA 0.541 4.859 4.320 -0.002 0.000 0.254 6 K C -2.712 172.658 176.600 -2.049 0.000 0.939 6 K CA -1.828 53.721 56.287 -1.231 0.000 0.812 6 K CB 2.845 34.977 32.500 -0.614 0.000 1.301 6 K HN 0.250 nan 8.250 nan 0.000 0.433 7 P HA 0.128 nan 4.420 nan 0.000 0.278 7 P C -0.922 176.042 177.300 -0.559 0.000 1.238 7 P CA -0.224 62.069 63.100 -1.345 0.000 0.794 7 P CB 0.766 31.756 31.700 -1.183 0.000 0.955 8 D N 0.580 120.915 120.400 -0.107 0.000 2.302 8 D HA 0.016 4.655 4.640 -0.002 0.000 0.248 8 D C 1.292 177.603 176.300 0.018 0.000 1.094 8 D CA -0.209 53.776 54.000 -0.025 0.000 0.897 8 D CB 0.884 41.717 40.800 0.055 0.000 1.200 8 D HN 0.239 nan 8.370 nan 0.000 0.429 9 E N 1.799 121.984 120.200 -0.026 0.000 2.035 9 E HA -0.308 4.041 4.350 -0.002 0.000 0.204 9 E C 1.570 178.179 176.600 0.015 0.000 1.025 9 E CA 1.796 58.193 56.400 -0.006 0.000 0.835 9 E CB -0.088 29.604 29.700 -0.015 0.000 0.764 9 E HN 0.679 nan 8.360 nan 0.000 0.457 10 Q N -0.972 118.827 119.800 -0.000 0.000 2.172 10 Q HA -0.064 4.275 4.340 -0.002 0.000 0.200 10 Q C 2.072 178.056 176.000 -0.027 0.000 0.964 10 Q CA 1.167 56.964 55.803 -0.010 0.000 0.855 10 Q CB -0.337 28.388 28.738 -0.021 0.000 0.918 10 Q HN 0.442 nan 8.270 nan 0.000 0.444 11 G N 1.224 110.001 108.800 -0.040 0.000 2.442 11 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.219 11 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.219 11 G C 1.328 176.157 174.900 -0.119 0.000 1.141 11 G CA 0.768 45.774 45.100 -0.156 0.000 0.763 11 G HN 0.334 nan 8.290 nan 0.000 0.554 12 L N 0.146 121.426 121.223 0.095 0.000 2.027 12 L HA -0.033 4.306 4.340 -0.002 0.000 0.206 12 L C 2.909 179.842 176.870 0.105 0.000 1.074 12 L CA 1.658 56.607 54.840 0.181 0.000 0.745 12 L CB -0.352 41.816 42.059 0.182 0.000 0.898 12 L HN 0.126 nan 8.230 nan 0.000 0.433 13 Q N -0.551 119.286 119.800 0.061 0.000 2.226 13 Q HA -0.259 4.080 4.340 -0.002 0.000 0.204 13 Q C 2.015 178.031 176.000 0.026 0.000 0.975 13 Q CA 1.462 57.292 55.803 0.046 0.000 0.866 13 Q CB -0.518 28.238 28.738 0.029 0.000 0.915 13 Q HN 0.695 nan 8.270 nan 0.000 0.440 14 Q N 0.308 120.106 119.800 -0.003 0.000 2.002 14 Q HA -0.191 4.148 4.340 -0.002 0.000 0.204 14 Q C 1.818 177.825 176.000 0.011 0.000 0.988 14 Q CA 1.432 57.220 55.803 -0.025 0.000 0.843 14 Q CB 0.007 28.693 28.738 -0.087 0.000 0.908 14 Q HN 0.299 nan 8.270 nan 0.000 0.420 15 I N 0.658 121.254 120.570 0.043 0.000 2.286 15 I HA -0.243 3.925 4.170 -0.002 0.000 0.245 15 I C 2.260 178.447 176.117 0.116 0.000 1.104 15 I CA 0.914 62.285 61.300 0.119 0.000 1.397 15 I CB -0.391 37.724 38.000 0.191 0.000 1.072 15 I HN 0.223 nan 8.210 nan 0.000 0.417 16 L N -0.370 120.919 121.223 0.110 0.000 2.079 16 L HA -0.258 4.081 4.340 -0.002 0.000 0.210 16 L C 2.565 179.478 176.870 0.071 0.000 1.081 16 L CA 1.244 56.144 54.840 0.099 0.000 0.752 16 L CB -0.450 41.670 42.059 0.101 0.000 0.896 16 L HN 0.291 nan 8.230 nan 0.000 0.433 17 Q N 0.083 119.916 119.800 0.055 0.000 2.049 17 Q HA -0.191 4.148 4.340 -0.002 0.000 0.198 17 Q C 2.119 178.143 176.000 0.040 0.000 0.971 17 Q CA 1.510 57.336 55.803 0.039 0.000 0.833 17 Q CB -0.276 28.476 28.738 0.024 0.000 0.896 17 Q HN 0.285 nan 8.270 nan 0.000 0.434 18 L N -0.253 120.997 121.223 0.045 0.000 2.013 18 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 18 L C 2.143 179.049 176.870 0.061 0.000 1.073 18 L CA 1.578 56.446 54.840 0.048 0.000 0.753 18 L CB -0.473 41.623 42.059 0.061 0.000 0.890 18 L HN 0.318 nan 8.230 nan 0.000 0.432 19 L N -1.193 120.077 121.223 0.078 0.000 2.005 19 L HA -0.258 4.080 4.340 -0.002 0.000 0.207 19 L C 2.503 179.406 176.870 0.056 0.000 1.072 19 L CA 1.417 56.302 54.840 0.075 0.000 0.744 19 L CB -0.498 41.612 42.059 0.085 0.000 0.895 19 L HN 0.136 nan 8.230 nan 0.000 0.433 20 K N -0.148 120.283 120.400 0.051 0.000 2.228 20 K HA -0.241 4.078 4.320 -0.002 0.000 0.205 20 K C 1.908 178.528 176.600 0.033 0.000 1.045 20 K CA 1.574 57.885 56.287 0.040 0.000 0.931 20 K CB -0.053 32.470 32.500 0.037 0.000 0.727 20 K HN 0.390 nan 8.250 nan 0.000 0.458 21 E N -0.478 119.742 120.200 0.033 0.000 2.230 21 E HA -0.062 4.287 4.350 -0.002 0.000 0.192 21 E C 1.494 178.110 176.600 0.027 0.000 0.987 21 E CA 0.985 57.401 56.400 0.026 0.000 0.841 21 E CB 0.304 30.017 29.700 0.021 0.000 0.783 21 E HN 0.266 nan 8.360 nan 0.000 0.481 22 S N 0.393 116.113 115.700 0.034 0.000 2.631 22 S HA 0.040 4.508 4.470 -0.002 0.000 0.217 22 S C 1.498 176.117 174.600 0.032 0.000 0.958 22 S CA -0.112 58.109 58.200 0.034 0.000 0.920 22 S CB 0.185 63.412 63.200 0.044 0.000 0.776 22 S HN 0.096 nan 8.310 nan 0.000 0.517 23 Q N 1.567 121.385 119.800 0.030 0.000 2.331 23 Q HA 0.151 4.490 4.340 -0.002 0.000 0.203 23 Q C 0.963 176.976 176.000 0.022 0.000 0.944 23 Q CA 0.297 56.116 55.803 0.027 0.000 0.892 23 Q CB -0.590 28.164 28.738 0.027 0.000 0.983 23 Q HN 0.611 nan 8.270 nan 0.000 0.482 24 S N 3.309 119.021 115.700 0.020 0.000 2.642 24 S HA -0.030 4.439 4.470 -0.002 0.000 0.308 24 S C -1.962 172.647 174.600 0.015 0.000 1.255 24 S CA -0.791 57.419 58.200 0.016 0.000 1.057 24 S CB 0.463 63.672 63.200 0.015 0.000 0.785 24 S HN 0.027 nan 8.310 nan 0.000 0.500 25 P HA 0.430 nan 4.420 nan 0.000 0.228 25 P C -1.147 176.159 177.300 0.010 0.000 1.764 25 P CA -0.124 62.983 63.100 0.012 0.000 0.929 25 P CB -0.154 31.552 31.700 0.011 0.000 1.675 26 D N -1.195 119.211 120.400 0.010 0.000 2.736 26 D HA 0.155 4.794 4.640 -0.002 0.000 0.243 26 D C 1.004 177.309 176.300 0.009 0.000 1.304 26 D CA -0.207 53.798 54.000 0.009 0.000 0.934 26 D CB 1.419 42.223 40.800 0.008 0.000 1.382 26 D HN -0.244 nan 8.370 nan 0.000 0.571 27 T N 0.408 114.967 114.554 0.008 0.000 2.699 27 T HA -0.160 4.188 4.350 -0.002 0.000 0.268 27 T C 1.736 176.440 174.700 0.007 0.000 1.036 27 T CA 1.696 63.801 62.100 0.008 0.000 1.147 27 T CB -0.111 68.762 68.868 0.007 0.000 0.862 27 T HN 0.416 nan 8.240 nan 0.000 0.446 28 T N 3.083 117.640 114.554 0.006 0.000 2.569 28 T HA -0.069 4.280 4.350 -0.002 0.000 0.263 28 T C 2.012 176.715 174.700 0.005 0.000 1.074 28 T CA 1.235 63.338 62.100 0.004 0.000 1.176 28 T CB -0.413 68.457 68.868 0.003 0.000 0.863 28 T HN 0.232 nan 8.240 nan 0.000 0.410 29 I N 2.523 123.097 120.570 0.005 0.000 2.286 29 I HA -0.188 3.981 4.170 -0.002 0.000 0.248 29 I C 2.764 178.886 176.117 0.008 0.000 1.115 29 I CA 1.494 62.797 61.300 0.006 0.000 1.392 29 I CB -1.647 36.357 38.000 0.006 0.000 1.065 29 I HN 0.523 nan 8.210 nan 0.000 0.418 30 Q N 1.272 121.078 119.800 0.010 0.000 2.079 30 Q HA -0.175 4.164 4.340 -0.002 0.000 0.200 30 Q C 2.362 178.370 176.000 0.013 0.000 0.974 30 Q CA 1.347 57.158 55.803 0.014 0.000 0.840 30 Q CB -0.455 28.292 28.738 0.016 0.000 0.898 30 Q HN 0.334 nan 8.270 nan 0.000 0.430 31 R N 0.145 120.651 120.500 0.010 0.000 2.276 31 R HA -0.006 4.333 4.340 -0.002 0.000 0.203 31 R C 1.339 177.641 176.300 0.005 0.000 1.017 31 R CA 1.359 57.464 56.100 0.009 0.000 1.010 31 R CB 0.083 30.387 30.300 0.008 0.000 0.900 31 R HN 0.448 nan 8.270 nan 0.000 0.469 32 T N -0.411 114.145 114.554 0.003 0.000 2.857 32 T HA -0.048 4.301 4.350 -0.002 0.000 0.266 32 T C 1.787 176.485 174.700 -0.004 0.000 1.048 32 T CA 0.914 63.013 62.100 -0.002 0.000 1.139 32 T CB 0.053 68.920 68.868 -0.002 0.000 0.874 32 T HN -0.008 nan 8.240 nan 0.000 0.455 33 V N 1.520 121.435 119.914 0.001 0.000 2.446 33 V HA -0.083 4.036 4.120 -0.002 0.000 0.244 33 V C 2.471 178.566 176.094 0.002 0.000 1.039 33 V CA 1.183 63.484 62.300 0.000 0.000 1.045 33 V CB -0.695 31.134 31.823 0.009 0.000 0.681 33 V HN 0.426 nan 8.190 nan 0.000 0.459 34 Q N -0.306 119.501 119.800 0.012 0.000 2.458 34 Q HA -0.319 4.020 4.340 -0.002 0.000 0.215 34 Q C 2.125 178.127 176.000 0.003 0.000 0.989 34 Q CA 1.418 57.231 55.803 0.018 0.000 0.895 34 Q CB -0.165 28.587 28.738 0.023 0.000 0.934 34 Q HN 0.572 nan 8.270 nan 0.000 0.475 35 Q N 1.096 120.890 119.800 -0.008 0.000 1.994 35 Q HA -0.144 4.195 4.340 -0.002 0.000 0.198 35 Q C 1.851 177.828 176.000 -0.039 0.000 0.976 35 Q CA 1.484 57.276 55.803 -0.019 0.000 0.828 35 Q CB 0.065 28.792 28.738 -0.019 0.000 0.894 35 Q HN 0.299 nan 8.270 nan 0.000 0.432 36 K N 0.118 120.488 120.400 -0.051 0.000 2.283 36 K HA -0.107 4.212 4.320 -0.002 0.000 0.202 36 K C 1.682 178.200 176.600 -0.136 0.000 1.048 36 K CA 0.706 56.942 56.287 -0.086 0.000 0.948 36 K CB -0.288 32.160 32.500 -0.088 0.000 0.742 36 K HN 0.191 nan 8.250 nan 0.000 0.458 37 L N 1.844 123.005 121.223 -0.103 0.000 2.043 37 L HA -0.181 4.158 4.340 -0.002 0.000 0.212 37 L C 2.189 178.983 176.870 -0.127 0.000 1.075 37 L CA 1.921 56.691 54.840 -0.118 0.000 0.752 37 L CB -1.134 40.937 42.059 0.019 0.000 0.891 37 L HN 0.253 nan 8.230 nan 0.000 0.432 38 E N -0.525 119.634 120.200 -0.068 0.000 2.153 38 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 38 E C 2.284 178.836 176.600 -0.080 0.000 0.988 38 E CA 0.863 57.230 56.400 -0.056 0.000 0.811 38 E CB -0.051 29.623 29.700 -0.043 0.000 0.746 38 E HN 0.469 nan 8.360 nan 0.000 0.466 39 Q N -0.526 119.214 119.800 -0.101 0.000 2.172 39 Q HA -0.017 4.322 4.340 -0.002 0.000 0.200 39 Q C 1.953 177.883 176.000 -0.118 0.000 0.964 39 Q CA 0.719 56.468 55.803 -0.090 0.000 0.855 39 Q CB 0.073 28.761 28.738 -0.084 0.000 0.918 39 Q HN 0.283 nan 8.270 nan 0.000 0.444 40 L N 0.411 121.474 121.223 -0.268 0.000 2.240 40 L HA -0.109 4.229 4.340 -0.002 0.000 0.211 40 L C 1.543 178.271 176.870 -0.238 0.000 1.106 40 L CA 0.290 54.863 54.840 -0.445 0.000 0.793 40 L CB -0.150 41.239 42.059 -1.116 0.000 0.927 40 L HN 0.221 nan 8.230 nan 0.000 0.446 41 N N -0.160 118.488 118.700 -0.086 0.000 2.272 41 N HA -0.205 4.534 4.740 -0.002 0.000 0.185 41 N C 1.758 177.455 175.510 0.311 0.000 1.014 41 N CA 0.922 54.111 53.050 0.231 0.000 0.870 41 N CB -0.107 38.508 38.487 0.213 0.000 0.975 41 N HN 0.411 nan 8.380 nan 0.000 0.433 42 Q N -0.502 119.390 119.800 0.153 0.000 2.002 42 Q HA -0.131 4.208 4.340 -0.002 0.000 0.204 42 Q C 0.127 176.199 176.000 0.121 0.000 0.988 42 Q CA 0.892 56.774 55.803 0.131 0.000 0.843 42 Q CB -0.286 28.492 28.738 0.066 0.000 0.908 42 Q HN 0.403 nan 8.270 nan 0.000 0.420 43 Y N 2.875 123.179 120.300 0.006 0.000 2.828 43 Y HA -0.041 4.508 4.550 -0.002 0.000 0.364 43 Y C -1.541 174.378 175.900 0.032 0.000 1.277 43 Y CA -1.328 56.779 58.100 0.012 0.000 1.713 43 Y CB 0.698 39.159 38.460 0.002 0.000 1.278 43 Y HN 0.184 nan 8.280 nan 0.000 0.502 44 P HA -0.069 nan 4.420 nan 0.000 0.245 44 P C 0.733 177.991 177.300 -0.070 0.000 1.212 44 P CA 0.768 63.787 63.100 -0.135 0.000 0.774 44 P CB 0.439 31.972 31.700 -0.278 0.000 0.999 45 D N -0.695 119.802 120.400 0.163 0.000 2.224 45 D HA -0.161 4.477 4.640 -0.002 0.000 0.205 45 D C 1.523 178.010 176.300 0.312 0.000 0.965 45 D CA 0.387 54.523 54.000 0.227 0.000 0.852 45 D CB -0.744 40.332 40.800 0.459 0.000 0.947 45 D HN -0.061 nan 8.370 nan 0.000 0.494 46 F N 1.516 121.584 119.950 0.197 0.000 2.154 46 F HA -0.192 4.334 4.527 -0.002 0.000 0.301 46 F C 1.614 177.491 175.800 0.128 0.000 1.087 46 F CA 1.706 59.787 58.000 0.135 0.000 1.274 46 F CB -0.766 38.271 39.000 0.063 0.000 1.009 46 F HN -0.004 nan 8.300 nan 0.000 0.485 47 N N 0.031 118.629 118.700 -0.172 0.000 2.244 47 N HA -0.176 4.563 4.740 -0.002 0.000 0.183 47 N C 1.392 176.794 175.510 -0.180 0.000 1.016 47 N CA 1.228 54.120 53.050 -0.263 0.000 0.866 47 N CB -0.371 37.983 38.487 -0.222 0.000 0.980 47 N HN 0.481 nan 8.380 nan 0.000 0.430 48 N N -0.209 118.349 118.700 -0.237 0.000 2.120 48 N HA -0.161 4.578 4.740 -0.002 0.000 0.188 48 N C 1.043 176.373 175.510 -0.300 0.000 1.024 48 N CA 0.967 53.730 53.050 -0.478 0.000 0.852 48 N CB -0.134 37.492 38.487 -1.435 0.000 1.003 48 N HN 0.279 nan 8.380 nan 0.000 0.424 49 Y N 0.628 120.864 120.300 -0.107 0.000 2.293 49 Y HA -0.094 4.454 4.550 -0.002 0.000 0.291 49 Y C 2.074 178.010 175.900 0.059 0.000 1.137 49 Y CA 0.507 58.692 58.100 0.141 0.000 1.202 49 Y CB -0.147 38.406 38.460 0.155 0.000 0.990 49 Y HN 0.093 nan 8.280 nan 0.000 0.537 50 L N -0.229 120.969 121.223 -0.041 0.000 2.027 50 L HA -0.180 4.159 4.340 -0.002 0.000 0.206 50 L C 2.192 179.059 176.870 -0.005 0.000 1.074 50 L CA 1.443 56.200 54.840 -0.138 0.000 0.745 50 L CB -0.972 40.843 42.059 -0.407 0.000 0.898 50 L HN 0.264 nan 8.230 nan 0.000 0.433 51 I N -1.366 119.200 120.570 -0.007 0.000 2.353 51 I HA -0.279 3.890 4.170 -0.002 0.000 0.248 51 I C 2.444 178.582 176.117 0.034 0.000 1.119 51 I CA 1.208 62.490 61.300 -0.031 0.000 1.417 51 I CB -0.497 37.417 38.000 -0.142 0.000 1.078 51 I HN 0.311 nan 8.210 nan 0.000 0.421 52 F N 1.488 121.461 119.950 0.039 0.000 2.091 52 F HA -0.284 4.242 4.527 -0.001 0.000 0.299 52 F C 2.305 178.164 175.800 0.099 0.000 1.103 52 F CA 2.435 60.521 58.000 0.143 0.000 1.228 52 F CB -0.598 38.569 39.000 0.278 0.000 0.984 52 F HN -0.076 nan 8.300 nan 0.000 0.477 53 V N 0.844 120.913 119.914 0.258 0.000 2.219 53 V HA -0.343 3.775 4.120 -0.002 0.000 0.248 53 V C 2.387 178.471 176.094 -0.017 0.000 1.053 53 V CA 2.042 64.425 62.300 0.139 0.000 1.009 53 V CB -1.197 30.728 31.823 0.170 0.000 0.636 53 V HN 0.535 nan 8.190 nan 0.000 0.445 54 L N -0.198 121.019 121.223 -0.011 0.000 1.990 54 L HA -0.212 4.127 4.340 -0.002 0.000 0.213 54 L C 2.357 179.177 176.870 -0.084 0.000 1.072 54 L CA 2.953 57.769 54.840 -0.039 0.000 0.755 54 L CB -0.913 41.125 42.059 -0.034 0.000 0.889 54 L HN 0.377 nan 8.230 nan 0.000 0.432 55 T N -2.522 111.953 114.554 -0.131 0.000 3.037 55 T HA 0.055 4.404 4.350 -0.002 0.000 0.252 55 T C 1.750 176.327 174.700 -0.205 0.000 1.073 55 T CA 0.780 62.791 62.100 -0.148 0.000 1.091 55 T CB 0.161 68.937 68.868 -0.153 0.000 0.935 55 T HN 0.307 nan 8.240 nan 0.000 0.488 56 K N -0.274 119.908 120.400 -0.365 0.000 2.403 56 K HA 0.343 4.662 4.320 -0.002 0.000 0.199 56 K C 0.178 176.521 176.600 -0.429 0.000 1.199 56 K CA -0.117 55.875 56.287 -0.492 0.000 0.924 56 K CB 0.338 32.305 32.500 -0.889 0.000 1.137 56 K HN 0.076 nan 8.250 nan 0.000 0.510 57 L N 2.934 123.909 121.223 -0.413 0.000 2.382 57 L HA 0.064 4.402 4.340 -0.002 0.000 0.259 57 L C 0.323 177.155 176.870 -0.064 0.000 1.291 57 L CA 0.546 55.295 54.840 -0.152 0.000 1.176 57 L CB -0.091 41.977 42.059 0.014 0.000 1.373 57 L HN -0.008 nan 8.230 nan 0.000 0.426 58 K N -0.027 120.337 120.400 -0.060 0.000 2.432 58 K HA -0.009 4.310 4.320 -0.002 0.000 0.196 58 K C 1.536 178.134 176.600 -0.004 0.000 1.038 58 K CA 0.919 57.187 56.287 -0.031 0.000 0.986 58 K CB 0.089 32.570 32.500 -0.032 0.000 0.782 58 K HN 0.718 nan 8.250 nan 0.000 0.485 59 S N 0.569 116.276 115.700 0.011 0.000 2.701 59 S HA 0.027 4.496 4.470 -0.002 0.000 0.220 59 S C 0.159 174.777 174.600 0.029 0.000 0.954 59 S CA -0.109 58.106 58.200 0.024 0.000 0.936 59 S CB -0.101 63.120 63.200 0.036 0.000 0.777 59 S HN 0.145 nan 8.310 nan 0.000 0.518 60 E N 2.413 122.628 120.200 0.025 0.000 2.256 60 E HA 0.334 4.683 4.350 -0.002 0.000 0.267 60 E C -0.799 175.814 176.600 0.021 0.000 0.892 60 E CA -0.855 55.563 56.400 0.031 0.000 0.775 60 E CB 1.178 30.904 29.700 0.043 0.000 1.207 60 E HN 0.352 nan 8.360 nan 0.000 0.420 61 D N 2.320 122.734 120.400 0.024 0.000 2.368 61 D HA -0.037 4.602 4.640 -0.002 0.000 0.240 61 D C 0.343 176.653 176.300 0.017 0.000 1.169 61 D CA 0.126 54.138 54.000 0.019 0.000 0.906 61 D CB 0.897 41.710 40.800 0.020 0.000 1.187 61 D HN 0.586 nan 8.370 nan 0.000 0.435 62 E N 0.584 120.792 120.200 0.013 0.000 2.051 62 E HA -0.122 4.227 4.350 -0.002 0.000 0.192 62 E C -0.834 175.774 176.600 0.014 0.000 0.991 62 E CA 1.056 57.462 56.400 0.010 0.000 0.799 62 E CB -0.915 28.790 29.700 0.008 0.000 0.748 62 E HN 0.475 nan 8.360 nan 0.000 0.449 63 P HA -0.189 nan 4.420 nan 0.000 0.216 63 P C 1.324 178.639 177.300 0.024 0.000 1.157 63 P CA 1.674 64.785 63.100 0.019 0.000 0.880 63 P CB -0.099 31.613 31.700 0.020 0.000 0.791 64 T N -0.687 113.884 114.554 0.028 0.000 2.701 64 T HA -0.117 4.232 4.350 -0.002 0.000 0.263 64 T C 1.803 176.524 174.700 0.036 0.000 1.040 64 T CA 1.294 63.416 62.100 0.037 0.000 1.147 64 T CB -0.606 68.288 68.868 0.042 0.000 0.865 64 T HN 0.141 nan 8.240 nan 0.000 0.426 65 R N 0.965 121.482 120.500 0.028 0.000 2.103 65 R HA -0.081 4.257 4.340 -0.002 0.000 0.242 65 R C 2.909 179.218 176.300 0.014 0.000 1.142 65 R CA 1.530 57.641 56.100 0.019 0.000 0.960 65 R CB -0.617 29.685 30.300 0.003 0.000 0.858 65 R HN 0.245 nan 8.270 nan 0.000 0.439 66 S N 0.800 116.508 115.700 0.013 0.000 2.370 66 S HA -0.124 4.345 4.470 -0.002 0.000 0.226 66 S C 1.865 176.476 174.600 0.018 0.000 1.033 66 S CA 1.020 59.227 58.200 0.010 0.000 1.011 66 S CB -0.145 63.061 63.200 0.010 0.000 0.852 66 S HN 0.202 nan 8.310 nan 0.000 0.457 67 L N 1.251 122.491 121.223 0.027 0.000 2.083 67 L HA -0.007 4.332 4.340 -0.002 0.000 0.209 67 L C 2.571 179.467 176.870 0.043 0.000 1.083 67 L CA 1.965 56.828 54.840 0.037 0.000 0.752 67 L CB -0.993 41.092 42.059 0.044 0.000 0.899 67 L HN 0.332 nan 8.230 nan 0.000 0.433 68 S N -0.819 114.905 115.700 0.040 0.000 2.353 68 S HA -0.174 4.295 4.470 -0.002 0.000 0.222 68 S C 2.020 176.632 174.600 0.019 0.000 1.035 68 S CA 1.463 59.685 58.200 0.037 0.000 1.025 68 S CB -0.770 62.454 63.200 0.040 0.000 0.902 68 S HN 0.641 nan 8.310 nan 0.000 0.440 69 G N 1.194 110.000 108.800 0.011 0.000 2.402 69 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.216 69 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.216 69 G C 1.270 176.179 174.900 0.015 0.000 1.162 69 G CA 0.764 45.865 45.100 0.002 0.000 0.777 69 G HN 0.452 nan 8.290 nan 0.000 0.539 70 L N 0.494 121.729 121.223 0.021 0.000 2.191 70 L HA 0.097 4.436 4.340 -0.002 0.000 0.212 70 L C 2.688 179.586 176.870 0.047 0.000 1.103 70 L CA 0.903 55.760 54.840 0.028 0.000 0.769 70 L CB -0.503 41.572 42.059 0.027 0.000 0.908 70 L HN 0.251 nan 8.230 nan 0.000 0.438 71 I N -1.824 118.783 120.570 0.061 0.000 2.339 71 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 71 I C 2.303 178.485 176.117 0.109 0.000 1.096 71 I CA 0.412 61.768 61.300 0.095 0.000 1.408 71 I CB -0.224 37.847 38.000 0.118 0.000 1.092 71 I HN 0.176 nan 8.210 nan 0.000 0.423 72 L N 1.541 122.807 121.223 0.072 0.000 2.043 72 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 72 L C 2.486 179.425 176.870 0.116 0.000 1.075 72 L CA 2.004 56.898 54.840 0.091 0.000 0.752 72 L CB -0.729 41.352 42.059 0.037 0.000 0.891 72 L HN 0.135 nan 8.230 nan 0.000 0.432 73 K N -0.560 119.874 120.400 0.058 0.000 2.059 73 K HA -0.271 4.048 4.320 -0.002 0.000 0.212 73 K C 1.873 178.505 176.600 0.053 0.000 1.050 73 K CA 2.088 58.389 56.287 0.024 0.000 0.927 73 K CB -0.250 32.256 32.500 0.009 0.000 0.714 73 K HN 0.514 nan 8.250 nan 0.000 0.447 74 N N 1.054 119.811 118.700 0.096 0.000 2.244 74 N HA -0.112 4.626 4.740 -0.002 0.000 0.183 74 N C 1.312 176.948 175.510 0.210 0.000 1.016 74 N CA 1.134 54.259 53.050 0.124 0.000 0.866 74 N CB -0.540 38.019 38.487 0.119 0.000 0.980 74 N HN 0.285 nan 8.380 nan 0.000 0.430 75 N N 0.303 119.177 118.700 0.290 0.000 2.364 75 N HA -0.059 4.679 4.740 -0.002 0.000 0.183 75 N C 1.645 177.415 175.510 0.434 0.000 1.022 75 N CA 0.331 53.660 53.050 0.465 0.000 0.883 75 N CB -0.102 38.695 38.487 0.517 0.000 0.965 75 N HN 0.077 nan 8.380 nan 0.000 0.438 76 V N 0.475 120.507 119.914 0.198 0.000 2.446 76 V HA -0.057 4.061 4.120 -0.002 0.000 0.244 76 V C 2.023 178.119 176.094 0.003 0.000 1.039 76 V CA 1.082 63.356 62.300 -0.043 0.000 1.045 76 V CB -0.273 31.356 31.823 -0.323 0.000 0.681 76 V HN 0.199 nan 8.190 nan 0.000 0.459 77 K N 0.527 120.947 120.400 0.033 0.000 2.103 77 K HA -0.039 4.280 4.320 -0.002 0.000 0.207 77 K C 0.816 177.475 176.600 0.099 0.000 1.048 77 K CA 1.404 57.712 56.287 0.035 0.000 0.930 77 K CB -0.117 32.405 32.500 0.037 0.000 0.716 77 K HN 0.489 nan 8.250 nan 0.000 0.444 78 A N 1.239 124.175 122.820 0.193 0.000 2.343 78 A HA 0.359 4.678 4.320 -0.002 0.000 0.316 78 A C -0.894 176.992 177.584 0.504 0.000 1.104 78 A CA -0.651 51.532 52.037 0.244 0.000 0.768 78 A CB 0.534 19.632 19.000 0.163 0.000 1.213 78 A HN 0.539 nan 8.150 nan 0.000 0.456 79 H N 0.952 120.122 119.070 0.167 0.000 2.794 79 H HA -0.220 4.335 4.556 -0.002 0.000 0.324 79 H C -1.077 174.466 175.328 0.358 0.000 1.037 79 H CA 1.244 57.416 56.048 0.208 0.000 1.062 79 H CB -1.943 27.913 29.762 0.158 0.000 1.622 79 H HN 1.053 nan 8.280 nan 0.000 0.371 80 F N 3.058 123.042 119.950 0.056 0.000 2.694 80 F HA 0.157 4.683 4.527 -0.002 0.000 0.292 80 F C 1.787 177.616 175.800 0.048 0.000 1.121 80 F CA 0.487 58.443 58.000 -0.073 0.000 1.352 80 F CB 0.361 39.188 39.000 -0.287 0.000 1.107 80 F HN 0.362 nan 8.300 nan 0.000 0.597 81 Q N 0.320 120.099 119.800 -0.035 0.000 2.170 81 Q HA -0.177 4.161 4.340 -0.002 0.000 0.203 81 Q C 1.694 177.640 176.000 -0.090 0.000 0.976 81 Q CA 1.508 57.250 55.803 -0.101 0.000 0.858 81 Q CB -1.128 27.616 28.738 0.010 0.000 0.907 81 Q HN 0.321 nan 8.270 nan 0.000 0.433 82 N N 0.109 118.803 118.700 -0.011 0.000 2.430 82 N HA -0.105 4.634 4.740 -0.002 0.000 0.186 82 N C -0.784 174.654 175.510 -0.120 0.000 1.032 82 N CA 0.309 53.333 53.050 -0.043 0.000 0.893 82 N CB -0.055 38.402 38.487 -0.049 0.000 0.957 82 N HN 0.200 nan 8.380 nan 0.000 0.442 83 F N 1.049 120.765 119.950 -0.391 0.000 2.467 83 F HA 0.273 4.799 4.527 -0.002 0.000 0.362 83 F C -1.495 174.113 175.800 -0.320 0.000 1.090 83 F CA -2.059 55.708 58.000 -0.388 0.000 1.202 83 F CB 0.653 39.285 39.000 -0.613 0.000 1.113 83 F HN 0.004 nan 8.300 nan 0.000 0.541 84 P HA 0.141 nan 4.420 nan 0.000 0.272 84 P C -0.203 177.052 177.300 -0.075 0.000 1.230 84 P CA -0.209 62.835 63.100 -0.092 0.000 0.788 84 P CB 0.750 32.392 31.700 -0.096 0.000 0.949 85 N N 0.641 119.298 118.700 -0.072 0.000 2.104 85 N HA -0.123 4.616 4.740 -0.002 0.000 0.190 85 N C 1.959 177.442 175.510 -0.045 0.000 1.024 85 N CA 1.888 54.900 53.050 -0.063 0.000 0.853 85 N CB -0.820 37.637 38.487 -0.050 0.000 1.008 85 N HN 0.592 nan 8.380 nan 0.000 0.424 86 G N -0.129 108.648 108.800 -0.039 0.000 2.443 86 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.219 86 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.219 86 G C 1.505 176.396 174.900 -0.014 0.000 1.131 86 G CA 0.538 45.622 45.100 -0.027 0.000 0.775 86 G HN 0.148 nan 8.290 nan 0.000 0.547 87 V N 1.613 121.510 119.914 -0.028 0.000 2.255 87 V HA -0.163 3.956 4.120 -0.002 0.000 0.243 87 V C 3.351 179.493 176.094 0.080 0.000 1.038 87 V CA 2.467 64.771 62.300 0.007 0.000 1.008 87 V CB -1.028 30.764 31.823 -0.052 0.000 0.645 87 V HN 0.603 nan 8.190 nan 0.000 0.449 88 T N -1.217 113.369 114.554 0.053 0.000 2.665 88 T HA -0.301 4.048 4.350 -0.002 0.000 0.268 88 T C 1.533 176.165 174.700 -0.112 0.000 1.035 88 T CA 1.973 64.062 62.100 -0.019 0.000 1.151 88 T CB -0.743 68.075 68.868 -0.083 0.000 0.862 88 T HN 0.400 nan 8.240 nan 0.000 0.438 89 D N 0.535 120.887 120.400 -0.081 0.000 2.190 89 D HA -0.052 4.587 4.640 -0.002 0.000 0.200 89 D C 1.514 177.827 176.300 0.022 0.000 0.992 89 D CA 0.865 54.825 54.000 -0.067 0.000 0.854 89 D CB -0.571 40.218 40.800 -0.018 0.000 0.936 89 D HN 0.589 nan 8.370 nan 0.000 0.462 90 F N 0.453 120.347 119.950 -0.093 0.000 2.163 90 F HA -0.135 4.391 4.527 -0.002 0.000 0.297 90 F C 1.801 177.564 175.800 -0.063 0.000 1.094 90 F CA 0.596 58.555 58.000 -0.068 0.000 1.290 90 F CB 0.173 39.113 39.000 -0.099 0.000 1.017 90 F HN -0.180 nan 8.300 nan 0.000 0.483 91 I N 1.383 121.797 120.570 -0.260 0.000 2.163 91 I HA -0.247 3.922 4.170 -0.002 0.000 0.240 91 I C 2.170 178.139 176.117 -0.247 0.000 1.081 91 I CA 1.247 62.352 61.300 -0.325 0.000 1.353 91 I CB -1.408 36.500 38.000 -0.153 0.000 1.054 91 I HN 0.074 nan 8.210 nan 0.000 0.407 92 K N 0.784 121.026 120.400 -0.263 0.000 2.020 92 K HA -0.217 4.101 4.320 -0.002 0.000 0.212 92 K C 2.280 178.888 176.600 0.014 0.000 1.050 92 K CA 2.273 58.417 56.287 -0.238 0.000 0.929 92 K CB -0.506 31.612 32.500 -0.635 0.000 0.714 92 K HN 0.481 nan 8.250 nan 0.000 0.443 93 S N 1.052 116.734 115.700 -0.029 0.000 2.382 93 S HA -0.138 4.330 4.470 -0.002 0.000 0.228 93 S C 1.875 176.458 174.600 -0.028 0.000 1.027 93 S CA 0.961 59.175 58.200 0.023 0.000 0.991 93 S CB -0.135 63.099 63.200 0.057 0.000 0.823 93 S HN 0.175 nan 8.310 nan 0.000 0.469 94 E N 0.796 120.902 120.200 -0.157 0.000 2.107 94 E HA -0.007 4.342 4.350 -0.002 0.000 0.191 94 E C 2.385 178.918 176.600 -0.111 0.000 0.982 94 E CA 0.873 57.156 56.400 -0.195 0.000 0.809 94 E CB -0.844 28.594 29.700 -0.437 0.000 0.756 94 E HN 0.598 nan 8.360 nan 0.000 0.459 95 C N 0.545 119.799 119.300 -0.076 0.000 2.442 95 C HA -0.127 4.332 4.460 -0.002 0.000 0.279 95 C C 2.713 177.714 174.990 0.019 0.000 1.237 95 C CA 0.383 59.396 59.018 -0.009 0.000 1.722 95 C CB -1.039 26.743 27.740 0.069 0.000 2.056 95 C HN 0.316 nan 8.230 nan 0.000 0.469 96 L N 1.608 122.872 121.223 0.069 0.000 2.187 96 L HA -0.108 4.231 4.340 -0.002 0.000 0.213 96 L C 2.027 178.902 176.870 0.007 0.000 1.100 96 L CA 1.669 56.536 54.840 0.046 0.000 0.765 96 L CB -0.809 41.307 42.059 0.094 0.000 0.904 96 L HN 0.421 nan 8.230 nan 0.000 0.437 97 N N -0.910 117.792 118.700 0.003 0.000 2.463 97 N HA -0.019 4.720 4.740 -0.002 0.000 0.181 97 N C 0.950 176.448 175.510 -0.019 0.000 1.078 97 N CA 0.524 53.571 53.050 -0.005 0.000 0.902 97 N CB -0.010 38.478 38.487 0.001 0.000 0.970 97 N HN 0.497 nan 8.380 nan 0.000 0.451 98 N N 0.393 119.076 118.700 -0.028 0.000 2.171 98 N HA 0.053 4.792 4.740 -0.002 0.000 0.212 98 N C 1.290 176.777 175.510 -0.038 0.000 1.184 98 N CA -0.189 52.840 53.050 -0.035 0.000 0.888 98 N CB 0.753 39.212 38.487 -0.047 0.000 1.038 98 N HN 0.018 nan 8.380 nan 0.000 0.517 99 I N 1.584 122.130 120.570 -0.040 0.000 2.229 99 I HA -0.190 3.979 4.170 -0.002 0.000 0.250 99 I C 1.336 177.415 176.117 -0.064 0.000 1.096 99 I CA 1.535 62.802 61.300 -0.055 0.000 1.358 99 I CB -0.356 37.602 38.000 -0.069 0.000 1.047 99 I HN 0.053 nan 8.210 nan 0.000 0.422 100 G N 0.078 108.845 108.800 -0.056 0.000 4.804 100 G HA2 0.165 4.124 3.960 -0.002 0.000 0.310 100 G HA3 0.165 4.124 3.960 -0.002 0.000 0.310 100 G C -0.371 174.510 174.900 -0.032 0.000 1.389 100 G CA -0.256 44.810 45.100 -0.057 0.000 1.106 100 G HN 0.331 nan 8.290 nan 0.000 0.595 101 D N 0.140 120.522 120.400 -0.029 0.000 2.449 101 D HA 0.044 4.683 4.640 -0.002 0.000 0.236 101 D C 1.865 178.162 176.300 -0.005 0.000 1.149 101 D CA 0.597 54.587 54.000 -0.018 0.000 0.878 101 D CB 1.163 41.950 40.800 -0.023 0.000 1.198 101 D HN 0.077 nan 8.370 nan 0.000 0.446 102 S N 2.182 117.883 115.700 0.003 0.000 2.380 102 S HA -0.207 4.262 4.470 -0.002 0.000 0.229 102 S C 1.070 175.679 174.600 0.015 0.000 1.043 102 S CA 1.370 59.578 58.200 0.014 0.000 1.038 102 S CB -0.246 62.962 63.200 0.013 0.000 0.872 102 S HN 0.483 nan 8.310 nan 0.000 0.456 103 S N 1.295 116.999 115.700 0.007 0.000 2.549 103 S HA 0.314 4.783 4.470 -0.002 0.000 0.279 103 S C -1.655 172.949 174.600 0.007 0.000 1.321 103 S CA -1.386 56.819 58.200 0.008 0.000 1.054 103 S CB 1.050 64.251 63.200 0.002 0.000 0.899 103 S HN 0.227 nan 8.310 nan 0.000 0.497 104 P HA -0.050 nan 4.420 nan 0.000 0.215 104 P C 1.599 178.902 177.300 0.005 0.000 1.157 104 P CA 0.366 63.474 63.100 0.013 0.000 0.859 104 P CB 0.013 31.726 31.700 0.021 0.000 0.786 105 L N -0.508 120.718 121.223 0.005 0.000 2.017 105 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 105 L C 2.265 179.132 176.870 -0.004 0.000 1.073 105 L CA 1.737 56.579 54.840 0.002 0.000 0.745 105 L CB -1.326 40.736 42.059 0.005 0.000 0.894 105 L HN -0.165 nan 8.230 nan 0.000 0.432 106 I N -0.628 119.938 120.570 -0.006 0.000 2.118 106 I HA -0.367 3.802 4.170 -0.002 0.000 0.241 106 I C 2.730 178.835 176.117 -0.019 0.000 1.070 106 I CA 1.742 63.033 61.300 -0.014 0.000 1.327 106 I CB -0.434 37.556 38.000 -0.017 0.000 1.034 106 I HN 0.297 nan 8.210 nan 0.000 0.405 107 R N 1.047 121.536 120.500 -0.020 0.000 2.103 107 R HA -0.241 4.098 4.340 -0.002 0.000 0.242 107 R C 2.334 178.616 176.300 -0.030 0.000 1.142 107 R CA 1.917 58.000 56.100 -0.029 0.000 0.960 107 R CB -0.337 29.946 30.300 -0.029 0.000 0.858 107 R HN 0.420 nan 8.270 nan 0.000 0.439 108 A N -0.509 122.299 122.820 -0.021 0.000 1.933 108 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 108 A C 2.135 179.708 177.584 -0.019 0.000 1.175 108 A CA 1.957 53.983 52.037 -0.019 0.000 0.628 108 A CB -0.758 18.236 19.000 -0.009 0.000 0.814 108 A HN 0.499 nan 8.150 nan 0.000 0.444 109 T N -0.237 114.307 114.554 -0.016 0.000 2.701 109 T HA -0.114 4.235 4.350 -0.002 0.000 0.263 109 T C 1.885 176.573 174.700 -0.020 0.000 1.040 109 T CA 1.537 63.628 62.100 -0.014 0.000 1.147 109 T CB -0.640 68.221 68.868 -0.011 0.000 0.865 109 T HN 0.136 nan 8.240 nan 0.000 0.426 110 V N 1.748 121.646 119.914 -0.026 0.000 2.324 110 V HA -0.185 3.934 4.120 -0.002 0.000 0.250 110 V C 2.861 178.940 176.094 -0.025 0.000 1.060 110 V CA 2.073 64.355 62.300 -0.028 0.000 1.042 110 V CB -1.526 30.276 31.823 -0.035 0.000 0.650 110 V HN 0.636 nan 8.190 nan 0.000 0.450 111 G N -0.477 108.303 108.800 -0.034 0.000 2.480 111 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.216 111 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.216 111 G C 1.657 176.535 174.900 -0.036 0.000 1.200 111 G CA 1.071 46.145 45.100 -0.044 0.000 0.782 111 G HN 0.505 nan 8.290 nan 0.000 0.554 112 I N 0.088 120.640 120.570 -0.029 0.000 2.567 112 I HA -0.057 4.112 4.170 -0.002 0.000 0.257 112 I C 2.349 178.450 176.117 -0.026 0.000 1.184 112 I CA 0.380 61.664 61.300 -0.027 0.000 1.451 112 I CB 0.062 38.050 38.000 -0.020 0.000 1.089 112 I HN 0.088 nan 8.210 nan 0.000 0.441 113 L N 0.763 121.975 121.223 -0.019 0.000 2.023 113 L HA -0.174 4.165 4.340 -0.002 0.000 0.205 113 L C 2.420 179.295 176.870 0.008 0.000 1.073 113 L CA 1.987 56.817 54.840 -0.017 0.000 0.745 113 L CB -0.780 41.270 42.059 -0.014 0.000 0.900 113 L HN 0.243 nan 8.230 nan 0.000 0.435 114 I N -0.594 120.001 120.570 0.041 0.000 2.127 114 I HA -0.347 3.822 4.170 -0.002 0.000 0.241 114 I C 2.401 178.545 176.117 0.044 0.000 1.075 114 I CA 1.621 62.986 61.300 0.109 0.000 1.334 114 I CB -0.774 37.237 38.000 0.019 0.000 1.040 114 I HN 0.253 nan 8.210 nan 0.000 0.405 115 T N 0.588 115.128 114.554 -0.024 0.000 2.620 115 T HA -0.253 4.095 4.350 -0.002 0.000 0.267 115 T C 1.855 176.528 174.700 -0.045 0.000 1.044 115 T CA 2.561 64.635 62.100 -0.044 0.000 1.161 115 T CB -0.480 68.360 68.868 -0.047 0.000 0.862 115 T HN 0.453 nan 8.240 nan 0.000 0.438 116 T N 1.816 116.335 114.554 -0.058 0.000 2.777 116 T HA 0.080 4.429 4.350 -0.002 0.000 0.266 116 T C 2.000 176.588 174.700 -0.186 0.000 1.040 116 T CA 0.955 62.989 62.100 -0.109 0.000 1.141 116 T CB -0.403 68.398 68.868 -0.111 0.000 0.868 116 T HN 0.365 nan 8.240 nan 0.000 0.444 117 I N 1.530 122.002 120.570 -0.163 0.000 2.423 117 I HA -0.169 4.000 4.170 -0.002 0.000 0.254 117 I C 2.814 178.888 176.117 -0.071 0.000 1.151 117 I CA 0.899 62.043 61.300 -0.261 0.000 1.421 117 I CB -0.446 37.490 38.000 -0.107 0.000 1.079 117 I HN 0.217 nan 8.210 nan 0.000 0.431 118 A N 0.735 123.588 122.820 0.056 0.000 1.874 118 A HA -0.143 4.176 4.320 -0.002 0.000 0.214 118 A C 2.514 180.093 177.584 -0.007 0.000 1.189 118 A CA 1.718 53.801 52.037 0.076 0.000 0.615 118 A CB -0.656 18.341 19.000 -0.005 0.000 0.830 118 A HN 0.473 nan 8.150 nan 0.000 0.443 119 S N 0.374 116.041 115.700 -0.054 0.000 2.336 119 S HA -0.140 4.329 4.470 -0.002 0.000 0.216 119 S C 1.949 176.501 174.600 -0.081 0.000 1.032 119 S CA 1.501 59.668 58.200 -0.055 0.000 0.973 119 S CB -0.469 62.699 63.200 -0.054 0.000 0.888 119 S HN 0.449 nan 8.310 nan 0.000 0.455 120 K N 2.794 123.104 120.400 -0.150 0.000 1.991 120 K HA 0.026 4.345 4.320 -0.002 0.000 0.212 120 K C 1.318 177.796 176.600 -0.203 0.000 1.049 120 K CA 1.608 57.781 56.287 -0.190 0.000 0.932 120 K CB -1.202 31.123 32.500 -0.292 0.000 0.717 120 K HN 0.432 nan 8.250 nan 0.000 0.441 121 G N 1.937 110.501 108.800 -0.393 0.000 3.343 121 G HA2 0.120 4.079 3.960 -0.002 0.000 0.264 121 G HA3 0.120 4.079 3.960 -0.002 0.000 0.264 121 G C -1.048 173.861 174.900 0.015 0.000 0.884 121 G CA -0.431 44.573 45.100 -0.159 0.000 1.916 121 G HN 0.435 nan 8.290 nan 0.000 0.618 122 E N 0.103 120.321 120.200 0.030 0.000 2.966 122 E HA -0.178 4.171 4.350 -0.002 0.000 0.301 122 E C 1.058 177.709 176.600 0.086 0.000 1.022 122 E CA -0.309 56.119 56.400 0.047 0.000 1.022 122 E CB 0.575 30.303 29.700 0.046 0.000 1.097 122 E HN 0.113 nan 8.360 nan 0.000 0.469 123 L N 1.961 123.225 121.223 0.068 0.000 2.079 123 L HA -0.242 4.096 4.340 -0.002 0.000 0.210 123 L C 2.574 179.504 176.870 0.101 0.000 1.081 123 L CA 1.845 56.731 54.840 0.076 0.000 0.752 123 L CB -1.412 40.666 42.059 0.032 0.000 0.896 123 L HN 0.691 nan 8.230 nan 0.000 0.433 124 Q N -0.230 119.619 119.800 0.082 0.000 2.297 124 Q HA -0.174 4.165 4.340 -0.002 0.000 0.204 124 Q C 1.235 177.299 176.000 0.107 0.000 0.962 124 Q CA 1.361 57.212 55.803 0.079 0.000 0.879 124 Q CB -1.122 27.647 28.738 0.052 0.000 0.947 124 Q HN 0.573 nan 8.270 nan 0.000 0.462 125 N N -0.593 118.181 118.700 0.124 0.000 2.571 125 N HA -0.051 4.688 4.740 -0.002 0.000 0.189 125 N C -0.422 175.198 175.510 0.183 0.000 1.154 125 N CA 0.150 53.276 53.050 0.125 0.000 0.907 125 N CB 0.050 38.610 38.487 0.121 0.000 0.977 125 N HN 0.214 nan 8.380 nan 0.000 0.449 126 W N 2.205 123.514 121.300 0.014 0.000 2.291 126 W HA 0.347 5.006 4.660 -0.001 0.000 0.288 126 W C -2.366 174.150 176.519 -0.004 0.000 0.976 126 W CA -2.637 54.711 57.345 0.005 0.000 1.744 126 W CB 0.660 30.115 29.460 -0.008 0.000 1.815 126 W HN -0.038 nan 8.180 nan 0.000 0.396 127 P HA -0.167 nan 4.420 nan 0.000 0.217 127 P C 0.568 177.918 177.300 0.083 0.000 1.150 127 P CA 1.830 65.012 63.100 0.137 0.000 0.832 127 P CB 0.340 32.104 31.700 0.107 0.000 0.787 128 D N -1.499 118.978 120.400 0.128 0.000 2.463 128 D HA 0.041 4.680 4.640 -0.002 0.000 0.224 128 D C 1.537 177.785 176.300 -0.086 0.000 1.174 128 D CA -0.493 53.526 54.000 0.033 0.000 0.829 128 D CB -0.783 40.056 40.800 0.064 0.000 0.993 128 D HN -0.010 nan 8.370 nan 0.000 0.497 129 L N 0.378 121.418 121.223 -0.305 0.000 1.976 129 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 129 L C 1.834 178.451 176.870 -0.422 0.000 1.071 129 L CA 1.749 56.146 54.840 -0.738 0.000 0.746 129 L CB -0.573 40.733 42.059 -1.255 0.000 0.890 129 L HN 0.123 nan 8.230 nan 0.000 0.432 130 L N -0.477 120.571 121.223 -0.291 0.000 1.970 130 L HA -0.156 4.182 4.340 -0.002 0.000 0.212 130 L C 0.002 176.765 176.870 -0.178 0.000 1.071 130 L CA 1.534 56.248 54.840 -0.209 0.000 0.751 130 L CB -2.322 39.646 42.059 -0.152 0.000 0.889 130 L HN 0.234 nan 8.230 nan 0.000 0.432 131 P HA -0.168 nan 4.420 nan 0.000 0.220 131 P C 1.327 178.559 177.300 -0.113 0.000 1.148 131 P CA 1.186 64.215 63.100 -0.118 0.000 0.803 131 P CB 0.082 31.731 31.700 -0.084 0.000 0.782 132 K N -0.162 120.167 120.400 -0.119 0.000 2.062 132 K HA -0.024 4.294 4.320 -0.002 0.000 0.205 132 K C 1.950 178.472 176.600 -0.131 0.000 1.051 132 K CA 1.089 57.315 56.287 -0.101 0.000 0.941 132 K CB -1.082 31.371 32.500 -0.078 0.000 0.719 132 K HN 0.023 nan 8.250 nan 0.000 0.440 133 L N -0.084 121.031 121.223 -0.179 0.000 1.994 133 L HA -0.283 4.056 4.340 -0.002 0.000 0.208 133 L C 2.440 179.186 176.870 -0.205 0.000 1.071 133 L CA 1.401 56.123 54.840 -0.198 0.000 0.745 133 L CB -0.533 41.391 42.059 -0.224 0.000 0.892 133 L HN 0.304 nan 8.230 nan 0.000 0.431 134 C N -1.223 117.958 119.300 -0.199 0.000 2.398 134 C HA -0.229 4.230 4.460 -0.002 0.000 0.276 134 C C 3.338 178.236 174.990 -0.154 0.000 1.222 134 C CA 1.472 60.364 59.018 -0.210 0.000 1.746 134 C CB -0.788 26.832 27.740 -0.200 0.000 2.039 134 C HN 0.584 nan 8.230 nan 0.000 0.470 135 S N -0.027 115.604 115.700 -0.114 0.000 2.370 135 S HA -0.117 4.352 4.470 -0.002 0.000 0.226 135 S C 1.712 176.272 174.600 -0.066 0.000 1.033 135 S CA 1.379 59.537 58.200 -0.070 0.000 1.011 135 S CB -0.316 62.850 63.200 -0.057 0.000 0.852 135 S HN 0.614 nan 8.310 nan 0.000 0.457 136 L N 0.892 122.055 121.223 -0.099 0.000 2.191 136 L HA -0.079 4.260 4.340 -0.002 0.000 0.212 136 L C 2.121 178.917 176.870 -0.122 0.000 1.103 136 L CA 0.314 55.095 54.840 -0.098 0.000 0.769 136 L CB -0.364 41.625 42.059 -0.118 0.000 0.908 136 L HN 0.320 nan 8.230 nan 0.000 0.438 137 L N -0.328 120.775 121.223 -0.201 0.000 2.081 137 L HA -0.284 4.055 4.340 -0.002 0.000 0.212 137 L C 2.055 178.922 176.870 -0.006 0.000 1.080 137 L CA 1.766 56.423 54.840 -0.305 0.000 0.754 137 L CB -0.931 40.782 42.059 -0.577 0.000 0.893 137 L HN 0.311 nan 8.230 nan 0.000 0.433 138 D N -1.275 119.181 120.400 0.094 0.000 2.347 138 D HA -0.049 4.590 4.640 -0.002 0.000 0.215 138 D C 1.194 177.569 176.300 0.124 0.000 0.976 138 D CA 0.282 54.392 54.000 0.183 0.000 0.884 138 D CB 0.081 40.953 40.800 0.121 0.000 0.915 138 D HN 0.281 nan 8.370 nan 0.000 0.526 139 S N 0.664 116.404 115.700 0.066 0.000 2.558 139 S HA -0.098 4.371 4.470 -0.002 0.000 0.291 139 S C 1.170 175.828 174.600 0.097 0.000 1.306 139 S CA 0.014 58.248 58.200 0.056 0.000 1.056 139 S CB 1.141 64.351 63.200 0.017 0.000 0.836 139 S HN 0.007 nan 8.310 nan 0.000 0.504 140 E N 1.649 121.902 120.200 0.087 0.000 2.285 140 E HA 0.010 4.359 4.350 -0.002 0.000 0.194 140 E C 0.031 176.704 176.600 0.121 0.000 0.997 140 E CA 0.578 57.042 56.400 0.107 0.000 0.845 140 E CB 0.069 29.816 29.700 0.078 0.000 0.782 140 E HN 0.740 nan 8.360 nan 0.000 0.491 141 D N -0.570 119.887 120.400 0.095 0.000 2.371 141 D HA -0.080 4.559 4.640 -0.002 0.000 0.256 141 D C 0.421 176.801 176.300 0.134 0.000 1.193 141 D CA 0.018 54.081 54.000 0.105 0.000 0.881 141 D CB 0.435 41.271 40.800 0.060 0.000 1.143 141 D HN 0.050 nan 8.370 nan 0.000 0.473 142 Y N 4.825 125.168 120.300 0.072 0.000 2.128 142 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 142 Y C 1.612 177.544 175.900 0.054 0.000 1.154 142 Y CA 1.696 59.848 58.100 0.087 0.000 1.149 142 Y CB -0.088 38.429 38.460 0.095 0.000 0.976 142 Y HN 0.415 nan 8.280 nan 0.000 0.505 143 N N -0.228 118.438 118.700 -0.056 0.000 2.104 143 N HA -0.179 4.560 4.740 -0.002 0.000 0.190 143 N C 1.961 177.369 175.510 -0.171 0.000 1.024 143 N CA 2.295 55.252 53.050 -0.155 0.000 0.853 143 N CB -0.803 37.685 38.487 0.001 0.000 1.008 143 N HN 0.680 nan 8.380 nan 0.000 0.424 144 T N -2.285 112.209 114.554 -0.099 0.000 2.812 144 T HA -0.116 4.233 4.350 -0.002 0.000 0.264 144 T C 2.469 177.088 174.700 -0.135 0.000 1.042 144 T CA 1.177 63.221 62.100 -0.094 0.000 1.140 144 T CB -1.071 67.768 68.868 -0.049 0.000 0.870 144 T HN 0.387 nan 8.240 nan 0.000 0.445 145 C N 1.707 120.926 119.300 -0.134 0.000 2.432 145 C HA -0.027 4.432 4.460 -0.002 0.000 0.277 145 C C 2.749 177.609 174.990 -0.216 0.000 1.249 145 C CA 1.399 60.328 59.018 -0.148 0.000 1.725 145 C CB -1.191 26.524 27.740 -0.042 0.000 2.028 145 C HN 0.607 nan 8.230 nan 0.000 0.477 146 E N 0.793 120.793 120.200 -0.333 0.000 2.072 146 E HA -0.055 4.294 4.350 -0.002 0.000 0.191 146 E C 2.412 178.850 176.600 -0.269 0.000 0.985 146 E CA 1.749 57.941 56.400 -0.346 0.000 0.801 146 E CB -0.807 28.484 29.700 -0.682 0.000 0.750 146 E HN 0.742 nan 8.360 nan 0.000 0.452 147 G N 0.831 109.486 108.800 -0.241 0.000 2.442 147 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.219 147 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.219 147 G C 1.695 176.482 174.900 -0.188 0.000 1.141 147 G CA 1.347 46.336 45.100 -0.185 0.000 0.763 147 G HN 0.422 nan 8.290 nan 0.000 0.554 148 A N 0.086 122.789 122.820 -0.195 0.000 1.897 148 A HA 0.190 4.509 4.320 -0.002 0.000 0.215 148 A C 2.207 179.662 177.584 -0.216 0.000 1.181 148 A CA 1.064 52.977 52.037 -0.206 0.000 0.620 148 A CB -0.514 18.351 19.000 -0.225 0.000 0.821 148 A HN 0.360 nan 8.150 nan 0.000 0.443 149 F N 0.504 120.230 119.950 -0.374 0.000 2.134 149 F HA -0.093 4.433 4.527 -0.002 0.000 0.299 149 F C 2.561 177.957 175.800 -0.673 0.000 1.097 149 F CA 0.629 58.345 58.000 -0.472 0.000 1.264 149 F CB -0.204 38.489 39.000 -0.511 0.000 1.001 149 F HN 0.351 nan 8.300 nan 0.000 0.479 150 G N -0.127 108.316 108.800 -0.594 0.000 2.491 150 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.218 150 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.218 150 G C 1.764 176.530 174.900 -0.223 0.000 1.180 150 G CA 0.990 45.783 45.100 -0.511 0.000 0.774 150 G HN 0.492 nan 8.290 nan 0.000 0.562 151 A N 0.486 123.202 122.820 -0.175 0.000 1.858 151 A HA 0.060 4.378 4.320 -0.002 0.000 0.216 151 A C 2.495 180.018 177.584 -0.102 0.000 1.190 151 A CA 1.489 53.449 52.037 -0.129 0.000 0.617 151 A CB -0.561 18.353 19.000 -0.144 0.000 0.827 151 A HN 0.360 nan 8.150 nan 0.000 0.443 152 L N -0.787 120.384 121.223 -0.086 0.000 2.081 152 L HA -0.300 4.038 4.340 -0.002 0.000 0.212 152 L C 2.951 179.826 176.870 0.009 0.000 1.080 152 L CA 1.989 56.825 54.840 -0.006 0.000 0.754 152 L CB -0.488 41.609 42.059 0.063 0.000 0.893 152 L HN 0.620 nan 8.230 nan 0.000 0.433 153 Q N 0.199 119.980 119.800 -0.032 0.000 2.020 153 Q HA -0.291 4.047 4.340 -0.002 0.000 0.202 153 Q C 2.223 178.196 176.000 -0.044 0.000 0.982 153 Q CA 1.884 57.657 55.803 -0.050 0.000 0.838 153 Q CB 0.051 28.775 28.738 -0.024 0.000 0.899 153 Q HN 0.123 nan 8.270 nan 0.000 0.423 154 K N 0.563 120.935 120.400 -0.047 0.000 2.103 154 K HA -0.142 4.177 4.320 -0.002 0.000 0.207 154 K C 1.856 178.433 176.600 -0.040 0.000 1.048 154 K CA 1.239 57.498 56.287 -0.046 0.000 0.930 154 K CB -0.380 32.090 32.500 -0.049 0.000 0.716 154 K HN 0.253 nan 8.250 nan 0.000 0.444 155 I N 0.619 121.170 120.570 -0.032 0.000 2.127 155 I HA -0.340 3.829 4.170 -0.002 0.000 0.241 155 I C 2.379 178.507 176.117 0.018 0.000 1.075 155 I CA 1.101 62.393 61.300 -0.014 0.000 1.334 155 I CB -1.591 36.400 38.000 -0.015 0.000 1.040 155 I HN 0.198 nan 8.210 nan 0.000 0.405 156 C N 0.680 120.007 119.300 0.045 0.000 2.413 156 C HA -0.167 4.292 4.460 -0.002 0.000 0.276 156 C C 2.748 177.675 174.990 -0.105 0.000 1.248 156 C CA 0.778 59.824 59.018 0.046 0.000 1.742 156 C CB -1.057 26.720 27.740 0.061 0.000 2.017 156 C HN 0.525 nan 8.230 nan 0.000 0.481 157 E N 0.686 120.829 120.200 -0.095 0.000 2.047 157 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 157 E C 1.680 178.232 176.600 -0.081 0.000 0.987 157 E CA 1.326 57.662 56.400 -0.108 0.000 0.799 157 E CB -0.166 29.484 29.700 -0.082 0.000 0.752 157 E HN 0.580 nan 8.360 nan 0.000 0.449 158 D N 0.310 120.679 120.400 -0.052 0.000 2.084 158 D HA -0.080 4.559 4.640 -0.002 0.000 0.194 158 D C 0.898 177.182 176.300 -0.027 0.000 0.990 158 D CA 1.412 55.389 54.000 -0.038 0.000 0.826 158 D CB -0.047 40.733 40.800 -0.032 0.000 0.971 158 D HN 0.106 nan 8.370 nan 0.000 0.453 159 S N -0.856 114.838 115.700 -0.009 0.000 2.204 159 S HA 0.687 5.156 4.470 -0.002 0.000 0.178 159 S C 0.836 175.471 174.600 0.058 0.000 1.493 159 S CA -0.202 58.008 58.200 0.015 0.000 1.266 159 S CB 1.145 64.357 63.200 0.020 0.000 1.232 159 S HN 0.178 nan 8.310 nan 0.000 0.406 160 A N 3.016 125.849 122.820 0.022 0.000 1.845 160 A HA -0.150 4.169 4.320 -0.002 0.000 0.215 160 A C 2.299 180.008 177.584 0.208 0.000 1.195 160 A CA 1.702 53.783 52.037 0.073 0.000 0.616 160 A CB -0.575 18.298 19.000 -0.212 0.000 0.832 160 A HN 0.725 nan 8.150 nan 0.000 0.443 161 E N 0.331 120.588 120.200 0.096 0.000 2.268 161 E HA -0.157 4.191 4.350 -0.002 0.000 0.195 161 E C 1.755 178.403 176.600 0.079 0.000 0.995 161 E CA 1.051 57.506 56.400 0.092 0.000 0.836 161 E CB -0.585 29.141 29.700 0.044 0.000 0.763 161 E HN 0.475 nan 8.360 nan 0.000 0.491 162 I N 1.295 121.907 120.570 0.070 0.000 2.252 162 I HA -0.150 4.019 4.170 -0.002 0.000 0.245 162 I C 2.572 178.721 176.117 0.053 0.000 1.102 162 I CA 0.735 62.065 61.300 0.050 0.000 1.385 162 I CB -0.879 37.144 38.000 0.039 0.000 1.064 162 I HN 0.118 nan 8.210 nan 0.000 0.414 163 L N 0.150 121.426 121.223 0.088 0.000 2.265 163 L HA -0.170 4.169 4.340 -0.002 0.000 0.215 163 L C 1.231 178.111 176.870 0.017 0.000 1.117 163 L CA 0.958 55.834 54.840 0.060 0.000 0.782 163 L CB -0.467 41.666 42.059 0.124 0.000 0.914 163 L HN 0.154 nan 8.230 nan 0.000 0.441 164 D N -0.527 119.916 120.400 0.071 0.000 2.460 164 D HA 0.126 4.765 4.640 -0.002 0.000 0.229 164 D C -0.203 176.108 176.300 0.018 0.000 1.170 164 D CA 0.169 54.192 54.000 0.038 0.000 0.827 164 D CB 0.353 41.228 40.800 0.126 0.000 0.973 164 D HN 0.006 nan 8.370 nan 0.000 0.496 165 S N -1.068 114.637 115.700 0.008 0.000 2.607 165 S HA 0.166 4.635 4.470 -0.002 0.000 0.273 165 S C 0.094 174.690 174.600 -0.006 0.000 1.148 165 S CA -0.804 57.397 58.200 0.002 0.000 0.833 165 S CB 1.746 64.953 63.200 0.012 0.000 1.130 165 S HN 0.013 nan 8.310 nan 0.000 0.470 166 D N 1.511 121.906 120.400 -0.008 0.000 2.392 166 D HA -0.066 4.572 4.640 -0.002 0.000 0.228 166 D C 1.908 178.206 176.300 -0.004 0.000 1.003 166 D CA 0.694 54.688 54.000 -0.010 0.000 0.917 166 D CB -0.142 40.652 40.800 -0.010 0.000 0.890 166 D HN 0.413 nan 8.370 nan 0.000 0.532 167 V N -0.873 119.042 119.914 0.002 0.000 3.330 167 V HA -0.105 4.014 4.120 -0.002 0.000 0.273 167 V C 1.352 177.451 176.094 0.009 0.000 1.179 167 V CA 0.959 63.263 62.300 0.008 0.000 1.174 167 V CB -0.628 31.203 31.823 0.013 0.000 0.794 167 V HN 0.085 nan 8.190 nan 0.000 0.527 168 L N -0.237 120.988 121.223 0.002 0.000 3.631 168 L HA 0.461 4.800 4.340 -0.002 0.000 0.346 168 L C -0.328 176.535 176.870 -0.012 0.000 1.329 168 L CA 0.804 55.645 54.840 0.001 0.000 1.018 168 L CB -0.081 41.980 42.059 0.003 0.000 1.412 168 L HN 0.506 nan 8.230 nan 0.000 0.618 169 D N 0.508 120.900 120.400 -0.015 0.000 3.905 169 D HA -0.171 4.468 4.640 -0.002 0.000 0.274 169 D C -0.602 175.675 176.300 -0.038 0.000 2.034 169 D CA 0.903 54.887 54.000 -0.026 0.000 1.180 169 D CB -0.030 40.753 40.800 -0.029 0.000 0.918 169 D HN 0.258 nan 8.370 nan 0.000 1.125 170 R N 0.494 120.963 120.500 -0.051 0.000 2.505 170 R HA 0.309 4.648 4.340 -0.002 0.000 0.284 170 R C -1.791 174.453 176.300 -0.093 0.000 1.324 170 R CA -1.233 54.825 56.100 -0.070 0.000 1.432 170 R CB 1.362 31.621 30.300 -0.069 0.000 1.107 170 R HN 0.290 nan 8.270 nan 0.000 0.587 171 P HA 0.030 nan 4.420 nan 0.000 0.239 171 P C 1.189 178.384 177.300 -0.175 0.000 1.188 171 P CA 0.314 63.341 63.100 -0.122 0.000 0.794 171 P CB 0.445 32.084 31.700 -0.101 0.000 0.937 172 L N -0.089 121.008 121.223 -0.210 0.000 2.141 172 L HA -0.092 4.246 4.340 -0.002 0.000 0.209 172 L C 1.939 178.655 176.870 -0.256 0.000 1.094 172 L CA 1.324 55.982 54.840 -0.302 0.000 0.763 172 L CB -1.053 40.748 42.059 -0.431 0.000 0.908 172 L HN 0.024 nan 8.230 nan 0.000 0.437 173 N N 0.058 118.644 118.700 -0.191 0.000 2.348 173 N HA -0.185 4.553 4.740 -0.002 0.000 0.185 173 N C 1.806 177.232 175.510 -0.139 0.000 1.019 173 N CA 0.870 53.830 53.050 -0.150 0.000 0.880 173 N CB 0.132 38.548 38.487 -0.117 0.000 0.965 173 N HN 0.366 nan 8.380 nan 0.000 0.437 174 I N -0.220 120.249 120.570 -0.168 0.000 3.339 174 I HA 0.011 4.180 4.170 -0.002 0.000 0.285 174 I C 1.838 177.795 176.117 -0.267 0.000 1.201 174 I CA 0.224 61.420 61.300 -0.173 0.000 1.434 174 I CB 0.289 38.200 38.000 -0.148 0.000 1.152 174 I HN 0.078 nan 8.210 nan 0.000 0.443 175 M N 0.287 119.667 119.600 -0.367 0.000 2.064 175 M HA -0.192 4.287 4.480 -0.002 0.000 0.260 175 M C 2.098 177.933 176.300 -0.775 0.000 1.073 175 M CA 1.739 56.624 55.300 -0.690 0.000 1.124 175 M CB -0.220 31.998 32.600 -0.635 0.000 1.326 175 M HN 0.093 nan 8.290 nan 0.000 0.410 176 I N 0.707 121.043 120.570 -0.389 0.000 2.068 176 I HA -0.242 3.927 4.170 -0.002 0.000 0.238 176 I C -0.511 175.567 176.117 -0.066 0.000 1.046 176 I CA 2.101 63.330 61.300 -0.119 0.000 1.306 176 I CB -3.099 34.838 38.000 -0.105 0.000 1.023 176 I HN 0.175 nan 8.210 nan 0.000 0.399 177 P HA -0.187 nan 4.420 nan 0.000 0.218 177 P C 1.659 178.931 177.300 -0.047 0.000 1.148 177 P CA 1.535 64.603 63.100 -0.053 0.000 0.822 177 P CB -0.131 31.547 31.700 -0.036 0.000 0.784 178 K N -0.793 119.547 120.400 -0.099 0.000 2.057 178 K HA -0.069 4.250 4.320 -0.002 0.000 0.206 178 K C 2.067 178.825 176.600 0.263 0.000 1.050 178 K CA 1.052 57.329 56.287 -0.016 0.000 0.935 178 K CB -0.670 31.727 32.500 -0.171 0.000 0.715 178 K HN 0.045 nan 8.250 nan 0.000 0.439 179 F N 1.611 121.715 119.950 0.256 0.000 2.075 179 F HA -0.110 4.416 4.527 -0.002 0.000 0.297 179 F C 2.365 178.453 175.800 0.480 0.000 1.113 179 F CA 0.741 59.016 58.000 0.458 0.000 1.218 179 F CB -1.172 38.059 39.000 0.385 0.000 0.984 179 F HN -0.082 nan 8.300 nan 0.000 0.472 180 L N -0.320 121.095 121.223 0.320 0.000 2.137 180 L HA -0.311 4.027 4.340 -0.002 0.000 0.213 180 L C 2.431 179.319 176.870 0.030 0.000 1.085 180 L CA 1.448 56.197 54.840 -0.152 0.000 0.760 180 L CB -0.738 41.167 42.059 -0.258 0.000 0.893 180 L HN 0.302 nan 8.230 nan 0.000 0.434 181 Q N -1.029 118.858 119.800 0.146 0.000 2.167 181 Q HA -0.145 4.194 4.340 -0.002 0.000 0.202 181 Q C 1.942 178.015 176.000 0.121 0.000 0.970 181 Q CA 1.248 57.081 55.803 0.049 0.000 0.855 181 Q CB -0.066 28.621 28.738 -0.085 0.000 0.911 181 Q HN 0.460 nan 8.270 nan 0.000 0.438 182 F N -0.741 119.454 119.950 0.408 0.000 2.802 182 F HA 0.004 4.529 4.527 -0.002 0.000 0.300 182 F C 1.297 177.376 175.800 0.465 0.000 1.168 182 F CA 0.402 58.685 58.000 0.471 0.000 1.433 182 F CB -0.095 39.268 39.000 0.606 0.000 1.115 182 F HN 0.035 nan 8.300 nan 0.000 0.582 183 F N 0.689 120.818 119.950 0.297 0.000 2.269 183 F HA -0.185 4.340 4.527 -0.003 0.000 0.301 183 F C 1.533 177.425 175.800 0.153 0.000 1.082 183 F CA 0.854 58.972 58.000 0.196 0.000 1.360 183 F CB -0.247 38.849 39.000 0.159 0.000 1.041 183 F HN -0.096 nan 8.300 nan 0.000 0.512 184 K N -0.948 119.642 120.400 0.317 0.000 2.577 184 K HA 0.079 4.397 4.320 -0.002 0.000 0.210 184 K C -0.319 176.380 176.600 0.164 0.000 1.048 184 K CA -0.170 56.225 56.287 0.180 0.000 1.188 184 K CB -0.230 32.330 32.500 0.100 0.000 0.910 184 K HN 0.153 nan 8.250 nan 0.000 0.483 185 H N 0.688 119.856 119.070 0.164 0.000 2.629 185 H HA 0.029 4.584 4.556 -0.001 0.000 0.357 185 H C 1.327 176.730 175.328 0.126 0.000 1.121 185 H CA 0.195 56.352 56.048 0.183 0.000 1.406 185 H CB 1.117 31.089 29.762 0.350 0.000 1.456 185 H HN 0.164 nan 8.280 nan 0.000 0.579 186 S N 1.666 117.235 115.700 -0.220 0.000 2.447 186 S HA -0.088 4.381 4.470 -0.002 0.000 0.233 186 S C 1.029 175.705 174.600 0.127 0.000 1.006 186 S CA 0.371 58.540 58.200 -0.052 0.000 0.957 186 S CB 0.019 63.134 63.200 -0.142 0.000 0.773 186 S HN 0.414 nan 8.310 nan 0.000 0.507 187 S N 2.703 118.673 115.700 0.449 0.000 2.475 187 S HA 0.404 4.872 4.470 -0.002 0.000 0.281 187 S C -1.493 173.227 174.600 0.200 0.000 1.198 187 S CA -1.852 56.535 58.200 0.312 0.000 1.063 187 S CB 1.249 64.691 63.200 0.404 0.000 0.972 187 S HN 0.118 nan 8.310 nan 0.000 0.486 188 P HA -0.120 nan 4.420 nan 0.000 0.218 188 P C 1.070 178.345 177.300 -0.041 0.000 1.148 188 P CA 1.034 64.141 63.100 0.012 0.000 0.822 188 P CB 0.191 31.887 31.700 -0.006 0.000 0.784 189 K N -0.069 120.328 120.400 -0.005 0.000 2.057 189 K HA -0.047 4.272 4.320 -0.002 0.000 0.206 189 K C 2.242 178.735 176.600 -0.177 0.000 1.050 189 K CA 0.982 57.215 56.287 -0.090 0.000 0.935 189 K CB -0.393 32.137 32.500 0.050 0.000 0.715 189 K HN 0.025 nan 8.250 nan 0.000 0.439 190 I N 0.641 121.185 120.570 -0.044 0.000 2.202 190 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 190 I C 2.309 178.257 176.117 -0.281 0.000 1.091 190 I CA 1.115 62.317 61.300 -0.165 0.000 1.368 190 I CB -0.385 37.440 38.000 -0.292 0.000 1.058 190 I HN 0.184 nan 8.210 nan 0.000 0.410 191 R N 0.396 120.822 120.500 -0.123 0.000 2.103 191 R HA -0.189 4.150 4.340 -0.002 0.000 0.242 191 R C 2.559 178.643 176.300 -0.360 0.000 1.142 191 R CA 1.776 57.773 56.100 -0.171 0.000 0.960 191 R CB -0.565 29.684 30.300 -0.085 0.000 0.858 191 R HN 0.274 nan 8.270 nan 0.000 0.439 192 S N -0.018 115.471 115.700 -0.351 0.000 2.353 192 S HA -0.194 4.275 4.470 -0.002 0.000 0.222 192 S C 1.687 175.996 174.600 -0.484 0.000 1.035 192 S CA 1.437 59.396 58.200 -0.401 0.000 1.025 192 S CB -0.206 62.753 63.200 -0.402 0.000 0.902 192 S HN 0.470 nan 8.310 nan 0.000 0.440 193 H N 0.483 119.226 119.070 -0.544 0.000 2.387 193 H HA -0.019 4.535 4.556 -0.002 0.000 0.299 193 H C 2.363 177.161 175.328 -0.883 0.000 1.099 193 H CA 1.341 56.944 56.048 -0.743 0.000 1.315 193 H CB -0.235 28.897 29.762 -1.051 0.000 1.380 193 H HN 0.491 nan 8.280 nan 0.000 0.513 194 A N 0.254 122.578 122.820 -0.826 0.000 1.877 194 A HA -0.140 4.179 4.320 -0.002 0.000 0.216 194 A C 2.522 180.013 177.584 -0.154 0.000 1.186 194 A CA 1.639 53.454 52.037 -0.369 0.000 0.620 194 A CB -0.901 18.123 19.000 0.040 0.000 0.822 194 A HN 0.343 nan 8.150 nan 0.000 0.443 195 V N -0.498 119.171 119.914 -0.408 0.000 2.488 195 V HA 0.008 4.126 4.120 -0.002 0.000 0.246 195 V C 2.633 178.691 176.094 -0.060 0.000 1.046 195 V CA 1.995 64.157 62.300 -0.230 0.000 1.053 195 V CB -0.609 30.950 31.823 -0.441 0.000 0.679 195 V HN 0.573 nan 8.190 nan 0.000 0.458 196 A N -0.836 121.883 122.820 -0.167 0.000 1.902 196 A HA -0.243 4.076 4.320 -0.002 0.000 0.217 196 A C 2.360 179.867 177.584 -0.128 0.000 1.181 196 A CA 2.186 54.143 52.037 -0.133 0.000 0.623 196 A CB -1.373 17.531 19.000 -0.161 0.000 0.818 196 A HN 0.657 nan 8.150 nan 0.000 0.443 197 C N -1.234 117.946 119.300 -0.200 0.000 2.413 197 C HA -0.088 4.371 4.460 -0.002 0.000 0.276 197 C C 2.794 177.788 174.990 0.006 0.000 1.236 197 C CA 1.254 60.130 59.018 -0.237 0.000 1.735 197 C CB -1.218 26.039 27.740 -0.804 0.000 2.031 197 C HN 0.477 nan 8.230 nan 0.000 0.474 198 V N 1.601 121.568 119.914 0.089 0.000 2.295 198 V HA -0.187 3.931 4.120 -0.002 0.000 0.246 198 V C 2.075 178.242 176.094 0.122 0.000 1.049 198 V CA 2.104 64.530 62.300 0.210 0.000 1.024 198 V CB -0.860 31.030 31.823 0.112 0.000 0.648 198 V HN 0.489 nan 8.190 nan 0.000 0.447 199 N N 0.230 118.978 118.700 0.080 0.000 2.247 199 N HA -0.195 4.544 4.740 -0.002 0.000 0.189 199 N C 1.791 177.258 175.510 -0.072 0.000 1.009 199 N CA 1.003 54.088 53.050 0.059 0.000 0.872 199 N CB -0.377 38.138 38.487 0.047 0.000 0.980 199 N HN 0.456 nan 8.380 nan 0.000 0.436 200 Q N -0.912 118.742 119.800 -0.243 0.000 2.364 200 Q HA -0.002 4.337 4.340 -0.002 0.000 0.209 200 Q C 0.502 176.055 176.000 -0.746 0.000 0.977 200 Q CA 0.815 56.268 55.803 -0.584 0.000 0.885 200 Q CB -0.093 28.102 28.738 -0.904 0.000 0.941 200 Q HN 0.482 nan 8.270 nan 0.000 0.464 201 F N -1.717 118.234 119.950 0.002 0.000 2.688 201 F HA 0.135 4.660 4.527 -0.002 0.000 0.310 201 F C 1.291 177.087 175.800 -0.007 0.000 1.098 201 F CA -0.438 57.558 58.000 -0.006 0.000 1.228 201 F CB 0.127 39.122 39.000 -0.009 0.000 1.042 201 F HN -0.090 nan 8.300 nan 0.000 0.557 202 I N 0.700 121.337 120.570 0.112 0.000 2.110 202 I HA -0.235 3.934 4.170 -0.002 0.000 0.236 202 I C 2.389 178.555 176.117 0.081 0.000 1.068 202 I CA 1.476 62.844 61.300 0.114 0.000 1.333 202 I CB -1.001 37.081 38.000 0.137 0.000 1.054 202 I HN 0.035 nan 8.210 nan 0.000 0.402 203 I N 0.551 121.149 120.570 0.047 0.000 2.226 203 I HA -0.269 3.899 4.170 -0.002 0.000 0.245 203 I C 2.412 178.549 176.117 0.033 0.000 1.100 203 I CA 1.594 62.911 61.300 0.028 0.000 1.374 203 I CB -0.644 37.357 38.000 0.001 0.000 1.057 203 I HN 0.255 nan 8.210 nan 0.000 0.413 204 S N 0.826 116.553 115.700 0.046 0.000 2.500 204 S HA -0.112 4.357 4.470 -0.002 0.000 0.239 204 S C 1.104 175.744 174.600 0.067 0.000 0.989 204 S CA 0.246 58.484 58.200 0.063 0.000 0.951 204 S CB -0.490 62.775 63.200 0.108 0.000 0.759 204 S HN 0.451 nan 8.310 nan 0.000 0.523 205 R N 1.281 121.823 120.500 0.069 0.000 3.525 205 R HA -0.130 4.209 4.340 -0.002 0.000 0.276 205 R C 0.091 176.415 176.300 0.039 0.000 1.116 205 R CA 0.862 56.993 56.100 0.052 0.000 0.745 205 R CB -2.965 27.355 30.300 0.033 0.000 1.185 205 R HN 0.766 nan 8.270 nan 0.000 0.454 206 T N -1.748 112.841 114.554 0.060 0.000 2.902 206 T HA -0.001 4.348 4.350 -0.002 0.000 0.301 206 T C 1.529 176.205 174.700 -0.041 0.000 1.012 206 T CA -0.363 61.744 62.100 0.011 0.000 1.151 206 T CB 1.274 70.144 68.868 0.002 0.000 0.946 206 T HN 0.181 nan 8.240 nan 0.000 0.542 207 Q N 3.153 122.915 119.800 -0.063 0.000 2.077 207 Q HA -0.188 4.151 4.340 -0.002 0.000 0.206 207 Q C 2.704 178.617 176.000 -0.144 0.000 0.989 207 Q CA 2.077 57.826 55.803 -0.090 0.000 0.853 207 Q CB -1.087 27.599 28.738 -0.086 0.000 0.907 207 Q HN 1.031 nan 8.270 nan 0.000 0.418 208 A N 0.457 123.182 122.820 -0.159 0.000 2.032 208 A HA -0.190 4.129 4.320 -0.002 0.000 0.221 208 A C 2.031 179.501 177.584 -0.190 0.000 1.165 208 A CA 1.536 53.457 52.037 -0.195 0.000 0.645 208 A CB -0.381 18.506 19.000 -0.188 0.000 0.807 208 A HN 0.330 nan 8.150 nan 0.000 0.453 209 L N -1.959 119.182 121.223 -0.137 0.000 2.269 209 L HA 0.152 4.491 4.340 -0.002 0.000 0.200 209 L C 2.156 178.993 176.870 -0.055 0.000 1.069 209 L CA 1.184 55.965 54.840 -0.098 0.000 0.804 209 L CB -0.399 41.600 42.059 -0.101 0.000 0.987 209 L HN 0.207 nan 8.230 nan 0.000 0.468 210 M N -0.439 119.134 119.600 -0.046 0.000 2.267 210 M HA -0.121 4.358 4.480 -0.002 0.000 0.263 210 M C 1.975 178.254 176.300 -0.034 0.000 1.063 210 M CA 1.527 56.820 55.300 -0.011 0.000 1.090 210 M CB -1.036 31.558 32.600 -0.009 0.000 1.392 210 M HN 0.249 nan 8.290 nan 0.000 0.422 211 L N -1.364 119.783 121.223 -0.126 0.000 2.591 211 L HA -0.065 4.274 4.340 -0.002 0.000 0.228 211 L C 0.899 177.666 176.870 -0.172 0.000 1.133 211 L CA 0.195 54.933 54.840 -0.170 0.000 0.880 211 L CB -0.370 41.539 42.059 -0.251 0.000 1.033 211 L HN 0.279 nan 8.230 nan 0.000 0.450 212 H N -1.492 117.568 119.070 -0.016 0.000 2.567 212 H HA 0.165 4.720 4.556 -0.001 0.000 0.267 212 H C 1.491 176.838 175.328 0.031 0.000 1.148 212 H CA -0.475 55.565 56.048 -0.013 0.000 1.031 212 H CB 0.661 30.395 29.762 -0.046 0.000 1.691 212 H HN 0.101 nan 8.280 nan 0.000 0.588 213 I N 1.159 121.816 120.570 0.145 0.000 2.151 213 I HA -0.280 3.889 4.170 -0.002 0.000 0.243 213 I C 1.535 177.710 176.117 0.096 0.000 1.080 213 I CA 1.766 63.157 61.300 0.152 0.000 1.339 213 I CB 0.161 38.222 38.000 0.102 0.000 1.039 213 I HN 0.082 nan 8.210 nan 0.000 0.409 214 D N -0.586 119.845 120.400 0.053 0.000 2.144 214 D HA -0.167 4.472 4.640 -0.002 0.000 0.200 214 D C 2.400 178.675 176.300 -0.041 0.000 0.978 214 D CA 1.505 55.501 54.000 -0.006 0.000 0.833 214 D CB -0.444 40.368 40.800 0.020 0.000 0.961 214 D HN 0.442 nan 8.370 nan 0.000 0.470 215 S N -0.341 115.360 115.700 0.001 0.000 2.370 215 S HA -0.186 4.283 4.470 -0.002 0.000 0.226 215 S C 1.927 176.503 174.600 -0.040 0.000 1.033 215 S CA 0.800 58.974 58.200 -0.043 0.000 1.011 215 S CB -0.523 62.627 63.200 -0.083 0.000 0.852 215 S HN 0.359 nan 8.310 nan 0.000 0.457 216 F N 1.411 121.260 119.950 -0.169 0.000 2.060 216 F HA 0.028 4.554 4.527 -0.002 0.000 0.295 216 F C 2.070 177.729 175.800 -0.236 0.000 1.120 216 F CA 1.561 59.436 58.000 -0.208 0.000 1.205 216 F CB -0.276 38.654 39.000 -0.117 0.000 0.986 216 F HN 0.175 nan 8.300 nan 0.000 0.470 217 I N 0.724 120.988 120.570 -0.510 0.000 2.236 217 I HA -0.376 3.792 4.170 -0.002 0.000 0.249 217 I C 2.455 177.968 176.117 -1.006 0.000 1.102 217 I CA 1.872 62.657 61.300 -0.859 0.000 1.365 217 I CB -0.643 36.954 38.000 -0.672 0.000 1.051 217 I HN 0.402 nan 8.210 nan 0.000 0.420 218 E N 1.164 121.030 120.200 -0.557 0.000 2.031 218 E HA -0.236 4.113 4.350 -0.002 0.000 0.193 218 E C 1.833 178.307 176.600 -0.211 0.000 0.994 218 E CA 1.810 57.998 56.400 -0.355 0.000 0.800 218 E CB -0.006 29.598 29.700 -0.159 0.000 0.752 218 E HN 0.559 nan 8.360 nan 0.000 0.447 219 N N 0.314 118.931 118.700 -0.138 0.000 2.244 219 N HA -0.141 4.598 4.740 -0.002 0.000 0.183 219 N C 1.599 177.164 175.510 0.092 0.000 1.016 219 N CA 0.464 53.540 53.050 0.043 0.000 0.866 219 N CB -0.094 38.462 38.487 0.115 0.000 0.980 219 N HN 0.076 nan 8.380 nan 0.000 0.430 220 L N -0.025 121.127 121.223 -0.119 0.000 2.012 220 L HA -0.100 4.239 4.340 -0.002 0.000 0.210 220 L C 1.500 178.334 176.870 -0.061 0.000 1.073 220 L CA 1.575 56.312 54.840 -0.171 0.000 0.748 220 L CB -0.771 40.958 42.059 -0.550 0.000 0.891 220 L HN 0.109 nan 8.230 nan 0.000 0.431 221 F N -0.445 119.382 119.950 -0.204 0.000 2.146 221 F HA -0.060 4.465 4.527 -0.003 0.000 0.298 221 F C 2.542 178.241 175.800 -0.168 0.000 1.096 221 F CA 0.640 58.497 58.000 -0.237 0.000 1.275 221 F CB -1.728 37.128 39.000 -0.240 0.000 1.008 221 F HN 0.122 nan 8.300 nan 0.000 0.480 222 A N -0.136 122.743 122.820 0.097 0.000 2.032 222 A HA -0.148 4.171 4.320 -0.002 0.000 0.221 222 A C 2.185 179.790 177.584 0.034 0.000 1.165 222 A CA 1.459 53.530 52.037 0.057 0.000 0.645 222 A CB -0.992 18.047 19.000 0.065 0.000 0.807 222 A HN 0.428 nan 8.150 nan 0.000 0.453 223 L N -1.676 119.565 121.223 0.030 0.000 2.616 223 L HA 0.145 4.484 4.340 -0.002 0.000 0.229 223 L C 2.695 179.547 176.870 -0.030 0.000 1.110 223 L CA 0.388 55.232 54.840 0.006 0.000 0.884 223 L CB -0.232 41.831 42.059 0.006 0.000 1.115 223 L HN 0.386 nan 8.230 nan 0.000 0.481 224 A N 0.833 123.591 122.820 -0.103 0.000 1.884 224 A HA -0.217 4.102 4.320 -0.002 0.000 0.219 224 A C 1.955 179.528 177.584 -0.018 0.000 1.197 224 A CA 2.069 53.943 52.037 -0.272 0.000 0.637 224 A CB -1.077 17.492 19.000 -0.718 0.000 0.827 224 A HN 0.419 nan 8.150 nan 0.000 0.450 225 G N -0.555 108.241 108.800 -0.007 0.000 3.496 225 G HA2 0.283 4.241 3.960 -0.002 0.000 0.273 225 G HA3 0.283 4.241 3.960 -0.002 0.000 0.273 225 G C -0.137 174.788 174.900 0.042 0.000 1.279 225 G CA 0.127 45.266 45.100 0.065 0.000 1.041 225 G HN 0.448 nan 8.290 nan 0.000 0.539 226 D N 1.039 121.459 120.400 0.033 0.000 2.389 226 D HA -0.000 4.639 4.640 -0.002 0.000 0.247 226 D C 1.593 177.902 176.300 0.015 0.000 1.128 226 D CA -0.146 53.863 54.000 0.015 0.000 0.884 226 D CB 1.190 41.989 40.800 -0.002 0.000 1.194 226 D HN 0.546 nan 8.370 nan 0.000 0.441 227 E N 2.161 122.364 120.200 0.006 0.000 2.208 227 E HA -0.163 4.186 4.350 -0.002 0.000 0.193 227 E C 0.282 176.877 176.600 -0.009 0.000 0.988 227 E CA 0.219 56.620 56.400 0.001 0.000 0.828 227 E CB 0.062 29.761 29.700 -0.001 0.000 0.763 227 E HN 0.250 nan 8.360 nan 0.000 0.478 228 E N 2.207 122.397 120.200 -0.015 0.000 2.265 228 E HA 0.056 4.404 4.350 -0.002 0.000 0.272 228 E C -1.882 174.698 176.600 -0.034 0.000 1.067 228 E CA -2.388 53.996 56.400 -0.027 0.000 0.900 228 E CB 1.230 30.909 29.700 -0.036 0.000 1.017 228 E HN -0.139 nan 8.360 nan 0.000 0.431 229 P HA -0.217 nan 4.420 nan 0.000 0.215 229 P C 0.694 177.965 177.300 -0.049 0.000 1.163 229 P CA 1.270 64.348 63.100 -0.037 0.000 0.894 229 P CB 0.236 31.914 31.700 -0.036 0.000 0.791 230 E N -0.640 119.520 120.200 -0.067 0.000 2.160 230 E HA -0.112 4.236 4.350 -0.002 0.000 0.195 230 E C 2.002 178.540 176.600 -0.104 0.000 0.991 230 E CA 0.988 57.333 56.400 -0.092 0.000 0.810 230 E CB -0.681 28.945 29.700 -0.124 0.000 0.742 230 E HN 0.116 nan 8.360 nan 0.000 0.466 231 V N 1.076 120.931 119.914 -0.098 0.000 2.307 231 V HA -0.221 3.898 4.120 -0.002 0.000 0.245 231 V C 2.438 178.497 176.094 -0.059 0.000 1.045 231 V CA 1.593 63.830 62.300 -0.105 0.000 1.024 231 V CB -0.474 31.292 31.823 -0.094 0.000 0.651 231 V HN 0.171 nan 8.190 nan 0.000 0.449 232 R N 0.150 120.637 120.500 -0.022 0.000 2.091 232 R HA -0.209 4.130 4.340 -0.002 0.000 0.238 232 R C 2.472 178.779 176.300 0.012 0.000 1.136 232 R CA 1.793 57.910 56.100 0.027 0.000 0.959 232 R CB -0.415 29.903 30.300 0.030 0.000 0.856 232 R HN 0.485 nan 8.270 nan 0.000 0.437 233 K N 0.657 121.044 120.400 -0.022 0.000 2.044 233 K HA -0.181 4.138 4.320 -0.002 0.000 0.210 233 K C 1.723 178.312 176.600 -0.019 0.000 1.049 233 K CA 1.704 57.976 56.287 -0.026 0.000 0.927 233 K CB -0.039 32.438 32.500 -0.038 0.000 0.713 233 K HN 0.125 nan 8.250 nan 0.000 0.443 234 N N 0.386 119.064 118.700 -0.038 0.000 2.188 234 N HA -0.126 4.613 4.740 -0.002 0.000 0.184 234 N C 1.887 177.399 175.510 0.003 0.000 1.018 234 N CA 1.133 54.162 53.050 -0.035 0.000 0.858 234 N CB -0.267 38.168 38.487 -0.087 0.000 0.989 234 N HN 0.026 nan 8.380 nan 0.000 0.426 235 V N 1.133 121.048 119.914 0.003 0.000 2.287 235 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 235 V C 2.587 178.715 176.094 0.057 0.000 1.053 235 V CA 1.305 63.622 62.300 0.028 0.000 1.027 235 V CB -0.683 31.160 31.823 0.033 0.000 0.646 235 V HN 0.341 nan 8.190 nan 0.000 0.447 236 C N -0.499 118.843 119.300 0.070 0.000 2.413 236 C HA -0.197 4.262 4.460 -0.002 0.000 0.277 236 C C 2.946 177.962 174.990 0.042 0.000 1.228 236 C CA 1.589 60.633 59.018 0.044 0.000 1.731 236 C CB -1.104 26.628 27.740 -0.013 0.000 2.042 236 C HN 0.566 nan 8.230 nan 0.000 0.468 237 R N 0.951 121.473 120.500 0.036 0.000 2.119 237 R HA -0.191 4.148 4.340 -0.002 0.000 0.246 237 R C 2.179 178.520 176.300 0.068 0.000 1.146 237 R CA 2.025 58.150 56.100 0.043 0.000 0.962 237 R CB -0.462 29.851 30.300 0.022 0.000 0.863 237 R HN 0.530 nan 8.270 nan 0.000 0.442 238 A N 0.490 123.361 122.820 0.085 0.000 1.877 238 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 238 A C 2.179 179.821 177.584 0.097 0.000 1.186 238 A CA 1.488 53.604 52.037 0.131 0.000 0.620 238 A CB -0.592 18.504 19.000 0.160 0.000 0.822 238 A HN 0.357 nan 8.150 nan 0.000 0.443 239 L N -0.574 120.692 121.223 0.071 0.000 2.093 239 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 239 L C 2.515 179.499 176.870 0.190 0.000 1.085 239 L CA 0.895 55.798 54.840 0.105 0.000 0.755 239 L CB -0.470 41.641 42.059 0.086 0.000 0.904 239 L HN 0.242 nan 8.230 nan 0.000 0.435 240 V N -0.386 119.640 119.914 0.186 0.000 2.332 240 V HA -0.342 3.777 4.120 -0.002 0.000 0.248 240 V C 2.452 178.590 176.094 0.073 0.000 1.055 240 V CA 2.024 64.423 62.300 0.164 0.000 1.038 240 V CB -0.430 31.463 31.823 0.117 0.000 0.651 240 V HN 0.402 nan 8.190 nan 0.000 0.450 241 M N -1.188 118.457 119.600 0.074 0.000 2.099 241 M HA -0.120 4.359 4.480 -0.002 0.000 0.262 241 M C 2.207 178.547 176.300 0.066 0.000 1.067 241 M CA 1.462 56.797 55.300 0.057 0.000 1.124 241 M CB -0.456 32.184 32.600 0.068 0.000 1.353 241 M HN 0.243 nan 8.290 nan 0.000 0.410 242 L N 0.739 122.018 121.223 0.094 0.000 2.089 242 L HA -0.237 4.102 4.340 -0.002 0.000 0.213 242 L C 2.293 179.199 176.870 0.061 0.000 1.079 242 L CA 1.833 56.726 54.840 0.088 0.000 0.758 242 L CB -1.383 40.721 42.059 0.076 0.000 0.891 242 L HN 0.386 nan 8.230 nan 0.000 0.433 243 L N -0.767 120.485 121.223 0.048 0.000 2.013 243 L HA -0.293 4.046 4.340 -0.002 0.000 0.212 243 L C 2.426 179.286 176.870 -0.017 0.000 1.073 243 L CA 1.591 56.427 54.840 -0.007 0.000 0.753 243 L CB -0.308 41.690 42.059 -0.102 0.000 0.890 243 L HN 0.363 nan 8.230 nan 0.000 0.432 244 E N -1.401 118.792 120.200 -0.012 0.000 2.208 244 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 244 E C 1.980 178.582 176.600 0.003 0.000 0.988 244 E CA 0.807 57.199 56.400 -0.013 0.000 0.828 244 E CB 0.303 29.994 29.700 -0.014 0.000 0.763 244 E HN 0.293 nan 8.360 nan 0.000 0.478 245 V N -0.136 119.790 119.914 0.021 0.000 2.854 245 V HA 0.095 4.214 4.120 -0.002 0.000 0.236 245 V C 0.760 176.875 176.094 0.036 0.000 1.157 245 V CA 0.410 62.728 62.300 0.030 0.000 1.187 245 V CB 0.408 32.258 31.823 0.044 0.000 0.949 245 V HN -0.010 nan 8.190 nan 0.000 0.488 246 R N 0.313 120.842 120.500 0.047 0.000 2.983 246 R HA 0.385 4.724 4.340 -0.002 0.000 0.300 246 R C 0.908 177.237 176.300 0.049 0.000 1.367 246 R CA -0.294 55.836 56.100 0.050 0.000 1.564 246 R CB 0.494 30.833 30.300 0.065 0.000 1.314 246 R HN 0.252 nan 8.270 nan 0.000 0.622 247 M N 1.369 120.991 119.600 0.037 0.000 2.175 247 M HA -0.148 4.330 4.480 -0.002 0.000 0.264 247 M C 1.170 177.499 176.300 0.047 0.000 1.063 247 M CA 1.738 57.061 55.300 0.038 0.000 1.119 247 M CB -0.296 32.315 32.600 0.018 0.000 1.377 247 M HN 0.306 nan 8.290 nan 0.000 0.415 248 D N -0.217 120.207 120.400 0.041 0.000 2.133 248 D HA -0.251 4.388 4.640 -0.002 0.000 0.192 248 D C 1.579 177.915 176.300 0.061 0.000 1.001 248 D CA 1.344 55.369 54.000 0.043 0.000 0.844 248 D CB -0.770 40.051 40.800 0.034 0.000 0.944 248 D HN 0.268 nan 8.370 nan 0.000 0.447 249 R N -0.471 120.071 120.500 0.069 0.000 2.275 249 R HA 0.139 4.478 4.340 -0.002 0.000 0.199 249 R C 2.083 178.468 176.300 0.142 0.000 0.989 249 R CA -0.013 56.142 56.100 0.091 0.000 1.016 249 R CB -0.508 29.831 30.300 0.065 0.000 0.918 249 R HN 0.274 nan 8.270 nan 0.000 0.473 250 L N 0.187 121.488 121.223 0.130 0.000 2.298 250 L HA 0.052 4.391 4.340 -0.002 0.000 0.209 250 L C 1.980 178.967 176.870 0.195 0.000 1.084 250 L CA 0.736 55.685 54.840 0.182 0.000 0.816 250 L CB -0.436 41.706 42.059 0.138 0.000 0.967 250 L HN 0.045 nan 8.230 nan 0.000 0.460 251 L N 1.081 122.374 121.223 0.117 0.000 1.991 251 L HA -0.202 4.137 4.340 -0.002 0.000 0.221 251 L C -0.383 176.515 176.870 0.048 0.000 1.079 251 L CA 2.464 57.343 54.840 0.066 0.000 0.778 251 L CB -2.123 39.960 42.059 0.040 0.000 0.893 251 L HN 0.201 nan 8.230 nan 0.000 0.437 252 P HA -0.133 nan 4.420 nan 0.000 0.227 252 P C 0.716 177.846 177.300 -0.283 0.000 1.145 252 P CA 1.413 64.443 63.100 -0.117 0.000 0.769 252 P CB -0.105 31.497 31.700 -0.163 0.000 0.769 253 H N -3.993 115.121 119.070 0.074 0.000 3.058 253 H HA 0.255 4.810 4.556 -0.002 0.000 0.266 253 H C 1.552 176.887 175.328 0.013 0.000 1.135 253 H CA -0.259 55.813 56.048 0.041 0.000 1.174 253 H CB 0.055 29.856 29.762 0.065 0.000 1.581 253 H HN -0.001 nan 8.280 nan 0.000 0.553 254 M N 1.164 120.821 119.600 0.096 0.000 2.147 254 M HA -0.252 4.227 4.480 -0.002 0.000 0.253 254 M C 1.946 178.247 176.300 0.001 0.000 1.075 254 M CA 1.877 57.191 55.300 0.023 0.000 1.085 254 M CB -0.750 31.791 32.600 -0.098 0.000 1.305 254 M HN 0.296 nan 8.290 nan 0.000 0.409 255 H N -0.406 118.730 119.070 0.110 0.000 2.387 255 H HA -0.049 4.505 4.556 -0.002 0.000 0.299 255 H C 1.959 177.318 175.328 0.052 0.000 1.090 255 H CA 1.729 57.844 56.048 0.113 0.000 1.332 255 H CB -0.659 29.200 29.762 0.161 0.000 1.386 255 H HN 0.585 nan 8.280 nan 0.000 0.516 256 N N 0.460 119.239 118.700 0.133 0.000 2.244 256 N HA -0.103 4.635 4.740 -0.002 0.000 0.183 256 N C 1.825 177.311 175.510 -0.040 0.000 1.016 256 N CA 0.586 53.647 53.050 0.018 0.000 0.866 256 N CB 0.247 38.693 38.487 -0.070 0.000 0.980 256 N HN 0.208 nan 8.380 nan 0.000 0.430 257 I N 1.250 121.796 120.570 -0.040 0.000 2.133 257 I HA -0.174 3.995 4.170 -0.002 0.000 0.238 257 I C 2.754 178.808 176.117 -0.103 0.000 1.074 257 I CA 0.933 62.187 61.300 -0.076 0.000 1.342 257 I CB -1.659 36.339 38.000 -0.004 0.000 1.053 257 I HN -0.016 nan 8.210 nan 0.000 0.404 258 V N 0.346 120.250 119.914 -0.016 0.000 2.392 258 V HA -0.259 3.860 4.120 -0.002 0.000 0.249 258 V C 2.438 178.576 176.094 0.073 0.000 1.059 258 V CA 2.284 64.630 62.300 0.077 0.000 1.051 258 V CB -0.678 31.247 31.823 0.169 0.000 0.658 258 V HN 0.313 nan 8.190 nan 0.000 0.455 259 E N -0.046 120.164 120.200 0.016 0.000 2.058 259 E HA -0.244 4.105 4.350 -0.002 0.000 0.194 259 E C 1.984 178.626 176.600 0.069 0.000 0.997 259 E CA 2.252 58.688 56.400 0.061 0.000 0.801 259 E CB -0.784 28.966 29.700 0.084 0.000 0.746 259 E HN 0.857 nan 8.360 nan 0.000 0.450 260 Y N -0.415 119.830 120.300 -0.092 0.000 2.145 260 Y HA -0.245 4.303 4.550 -0.003 0.000 0.286 260 Y C 1.992 177.813 175.900 -0.131 0.000 1.145 260 Y CA 1.823 59.850 58.100 -0.122 0.000 1.148 260 Y CB -0.070 38.282 38.460 -0.181 0.000 0.981 260 Y HN 0.057 nan 8.280 nan 0.000 0.507 261 M N 0.015 119.447 119.600 -0.280 0.000 2.117 261 M HA -0.198 4.281 4.480 -0.002 0.000 0.262 261 M C 2.272 178.564 176.300 -0.013 0.000 1.065 261 M CA 1.449 56.480 55.300 -0.448 0.000 1.114 261 M CB -1.282 30.719 32.600 -0.999 0.000 1.361 261 M HN 0.424 nan 8.290 nan 0.000 0.408 262 L N -0.393 120.999 121.223 0.283 0.000 2.042 262 L HA -0.262 4.076 4.340 -0.002 0.000 0.210 262 L C 2.687 179.596 176.870 0.066 0.000 1.076 262 L CA 1.484 56.494 54.840 0.285 0.000 0.749 262 L CB -0.537 41.614 42.059 0.153 0.000 0.893 262 L HN 0.411 nan 8.230 nan 0.000 0.432 263 Q N -0.665 119.116 119.800 -0.031 0.000 2.119 263 Q HA -0.197 4.142 4.340 -0.002 0.000 0.201 263 Q C 2.323 178.235 176.000 -0.147 0.000 0.972 263 Q CA 1.106 56.860 55.803 -0.082 0.000 0.847 263 Q CB 0.181 28.867 28.738 -0.087 0.000 0.903 263 Q HN 0.272 nan 8.270 nan 0.000 0.433 264 R N -0.448 119.886 120.500 -0.276 0.000 2.090 264 R HA -0.022 4.317 4.340 -0.002 0.000 0.228 264 R C 2.111 178.333 176.300 -0.131 0.000 1.110 264 R CA 1.364 57.282 56.100 -0.303 0.000 0.973 264 R CB -0.998 28.984 30.300 -0.530 0.000 0.869 264 R HN 0.270 nan 8.270 nan 0.000 0.440 265 T N 1.348 115.888 114.554 -0.023 0.000 2.929 265 T HA -0.117 4.232 4.350 -0.002 0.000 0.271 265 T C 1.097 175.810 174.700 0.022 0.000 1.085 265 T CA 1.095 63.242 62.100 0.078 0.000 1.125 265 T CB -0.032 69.023 68.868 0.311 0.000 0.874 265 T HN 0.340 nan 8.240 nan 0.000 0.494 266 Q N 0.628 120.421 119.800 -0.012 0.000 2.201 266 Q HA 0.176 4.515 4.340 -0.002 0.000 0.236 266 Q C -0.436 175.540 176.000 -0.041 0.000 0.857 266 Q CA -0.395 55.392 55.803 -0.027 0.000 1.025 266 Q CB 0.434 29.156 28.738 -0.028 0.000 1.124 266 Q HN 0.253 nan 8.270 nan 0.000 0.473 267 D N 1.379 121.747 120.400 -0.053 0.000 2.372 267 D HA -0.072 4.567 4.640 -0.002 0.000 0.243 267 D C 1.232 177.507 176.300 -0.042 0.000 1.121 267 D CA 0.210 54.176 54.000 -0.056 0.000 0.898 267 D CB 1.095 41.851 40.800 -0.073 0.000 1.202 267 D HN 0.243 nan 8.370 nan 0.000 0.428 268 Q N 1.903 121.681 119.800 -0.036 0.000 2.291 268 Q HA -0.163 4.176 4.340 -0.002 0.000 0.206 268 Q C 0.036 176.019 176.000 -0.029 0.000 0.976 268 Q CA 0.818 56.602 55.803 -0.030 0.000 0.875 268 Q CB 0.053 28.775 28.738 -0.026 0.000 0.927 268 Q HN 0.403 nan 8.270 nan 0.000 0.450 269 D N 1.631 122.012 120.400 -0.032 0.000 2.393 269 D HA 0.037 4.676 4.640 -0.002 0.000 0.232 269 D C 0.337 176.619 176.300 -0.029 0.000 1.192 269 D CA -0.008 53.974 54.000 -0.029 0.000 0.882 269 D CB 0.758 41.539 40.800 -0.031 0.000 1.038 269 D HN 0.207 nan 8.370 nan 0.000 0.499 270 E N 2.827 123.011 120.200 -0.026 0.000 2.257 270 E HA -0.362 3.987 4.350 -0.002 0.000 0.229 270 E C 1.107 177.694 176.600 -0.021 0.000 1.089 270 E CA 2.134 58.520 56.400 -0.024 0.000 0.947 270 E CB 0.145 29.833 29.700 -0.020 0.000 0.808 270 E HN 0.561 nan 8.360 nan 0.000 0.471 271 N N -0.867 117.822 118.700 -0.018 0.000 2.106 271 N HA -0.125 4.614 4.740 -0.002 0.000 0.188 271 N C 1.842 177.343 175.510 -0.015 0.000 1.029 271 N CA 1.383 54.426 53.050 -0.012 0.000 0.848 271 N CB 0.047 38.525 38.487 -0.014 0.000 1.007 271 N HN -0.029 nan 8.380 nan 0.000 0.423 272 V N 1.261 121.158 119.914 -0.028 0.000 2.287 272 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 272 V C 2.335 178.401 176.094 -0.045 0.000 1.053 272 V CA 1.963 64.238 62.300 -0.042 0.000 1.027 272 V CB -1.167 30.622 31.823 -0.055 0.000 0.646 272 V HN 0.359 nan 8.190 nan 0.000 0.447 273 A N 0.358 123.156 122.820 -0.038 0.000 1.859 273 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 273 A C 2.208 179.790 177.584 -0.003 0.000 1.198 273 A CA 2.370 54.391 52.037 -0.026 0.000 0.629 273 A CB -0.755 18.230 19.000 -0.024 0.000 0.830 273 A HN 0.484 nan 8.150 nan 0.000 0.446 274 L N -0.548 120.674 121.223 -0.001 0.000 2.131 274 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 274 L C 2.084 178.990 176.870 0.059 0.000 1.092 274 L CA 2.305 57.157 54.840 0.020 0.000 0.759 274 L CB -0.639 41.428 42.059 0.012 0.000 0.903 274 L HN 0.351 nan 8.230 nan 0.000 0.435 275 E N 0.123 120.344 120.200 0.034 0.000 2.072 275 E HA -0.136 4.213 4.350 -0.002 0.000 0.191 275 E C 2.233 178.836 176.600 0.004 0.000 0.985 275 E CA 1.320 57.740 56.400 0.033 0.000 0.801 275 E CB -0.466 29.241 29.700 0.011 0.000 0.750 275 E HN 0.626 nan 8.360 nan 0.000 0.452 276 A N 0.795 123.587 122.820 -0.048 0.000 1.877 276 A HA -0.217 4.102 4.320 -0.002 0.000 0.216 276 A C 2.613 180.123 177.584 -0.122 0.000 1.186 276 A CA 1.587 53.542 52.037 -0.138 0.000 0.620 276 A CB -1.214 17.689 19.000 -0.162 0.000 0.822 276 A HN 0.426 nan 8.150 nan 0.000 0.443 277 C N -0.139 119.186 119.300 0.041 0.000 2.401 277 C HA -0.144 4.315 4.460 -0.002 0.000 0.276 277 C C 2.610 177.693 174.990 0.156 0.000 1.233 277 C CA 1.526 60.661 59.018 0.196 0.000 1.753 277 C CB -1.356 26.485 27.740 0.169 0.000 2.029 277 C HN 0.640 nan 8.230 nan 0.000 0.478 278 E N -0.462 119.820 120.200 0.137 0.000 2.187 278 E HA -0.262 4.087 4.350 -0.002 0.000 0.199 278 E C 1.738 178.375 176.600 0.062 0.000 1.004 278 E CA 1.470 57.966 56.400 0.159 0.000 0.813 278 E CB -0.674 29.115 29.700 0.149 0.000 0.736 278 E HN 0.847 nan 8.360 nan 0.000 0.468 279 F N 0.094 119.900 119.950 -0.239 0.000 2.126 279 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 279 F C 1.896 177.513 175.800 -0.305 0.000 1.096 279 F CA 1.648 59.410 58.000 -0.397 0.000 1.255 279 F CB -0.466 38.081 39.000 -0.755 0.000 0.997 279 F HN 0.021 nan 8.300 nan 0.000 0.479 280 W N -0.118 121.267 121.300 0.141 0.000 2.388 280 W HA -0.091 4.567 4.660 -0.003 0.000 0.294 280 W C 2.421 178.938 176.519 -0.004 0.000 1.212 280 W CA 0.545 57.922 57.345 0.053 0.000 1.271 280 W CB -0.660 28.859 29.460 0.099 0.000 1.126 280 W HN 0.014 nan 8.180 nan 0.000 0.535 281 L N 0.178 121.531 121.223 0.218 0.000 2.017 281 L HA -0.208 4.131 4.340 -0.002 0.000 0.208 281 L C 2.301 179.197 176.870 0.044 0.000 1.073 281 L CA 1.784 56.715 54.840 0.151 0.000 0.745 281 L CB -0.733 41.444 42.059 0.197 0.000 0.894 281 L HN -0.015 nan 8.230 nan 0.000 0.432 282 T N 0.139 114.668 114.554 -0.042 0.000 2.737 282 T HA -0.215 4.134 4.350 -0.002 0.000 0.265 282 T C 1.872 176.478 174.700 -0.157 0.000 1.038 282 T CA 1.233 63.267 62.100 -0.109 0.000 1.144 282 T CB -0.294 68.479 68.868 -0.158 0.000 0.866 282 T HN 0.264 nan 8.240 nan 0.000 0.434 283 L N 0.904 121.959 121.223 -0.280 0.000 2.012 283 L HA -0.171 4.168 4.340 -0.002 0.000 0.210 283 L C 2.810 179.639 176.870 -0.068 0.000 1.073 283 L CA 1.694 56.382 54.840 -0.254 0.000 0.748 283 L CB -0.637 41.225 42.059 -0.328 0.000 0.891 283 L HN 0.304 nan 8.230 nan 0.000 0.431 284 A N -0.724 122.104 122.820 0.012 0.000 2.076 284 A HA -0.242 4.077 4.320 -0.002 0.000 0.220 284 A C 1.840 179.433 177.584 0.014 0.000 1.160 284 A CA 1.792 53.863 52.037 0.056 0.000 0.653 284 A CB -0.449 18.614 19.000 0.105 0.000 0.801 284 A HN 0.635 nan 8.150 nan 0.000 0.455 285 E N -0.313 119.882 120.200 -0.008 0.000 2.463 285 E HA 0.041 4.390 4.350 -0.002 0.000 0.193 285 E C -0.209 176.374 176.600 -0.029 0.000 1.041 285 E CA -0.187 56.204 56.400 -0.016 0.000 0.879 285 E CB 0.219 29.911 29.700 -0.014 0.000 0.997 285 E HN 0.557 nan 8.360 nan 0.000 0.478 286 Q N 0.519 120.297 119.800 -0.037 0.000 2.222 286 Q HA 0.150 4.488 4.340 -0.002 0.000 0.252 286 Q C -1.676 174.304 176.000 -0.034 0.000 0.926 286 Q CA -2.052 53.728 55.803 -0.038 0.000 0.899 286 Q CB 0.965 29.674 28.738 -0.048 0.000 1.250 286 Q HN -0.016 nan 8.270 nan 0.000 0.441 287 P HA -0.086 nan 4.420 nan 0.000 0.222 287 P C 0.712 177.994 177.300 -0.030 0.000 1.147 287 P CA 1.083 64.163 63.100 -0.032 0.000 0.790 287 P CB 0.247 31.933 31.700 -0.024 0.000 0.780 288 I N -1.224 119.334 120.570 -0.020 0.000 3.684 288 I HA -0.001 4.168 4.170 -0.002 0.000 0.304 288 I C 2.703 178.823 176.117 0.004 0.000 1.278 288 I CA 0.221 61.517 61.300 -0.007 0.000 1.272 288 I CB -1.656 36.343 38.000 -0.001 0.000 1.029 288 I HN 0.022 nan 8.210 nan 0.000 0.458 289 C N 1.320 120.616 119.300 -0.006 0.000 2.413 289 C HA -0.199 4.260 4.460 -0.002 0.000 0.276 289 C C 2.881 177.903 174.990 0.054 0.000 1.248 289 C CA 1.249 60.285 59.018 0.031 0.000 1.742 289 C CB -0.764 26.987 27.740 0.019 0.000 2.017 289 C HN 0.569 nan 8.230 nan 0.000 0.481 290 K N 0.126 120.485 120.400 -0.068 0.000 2.044 290 K HA -0.183 4.136 4.320 -0.002 0.000 0.210 290 K C 1.645 178.293 176.600 0.081 0.000 1.049 290 K CA 2.342 58.531 56.287 -0.163 0.000 0.927 290 K CB -0.192 32.161 32.500 -0.245 0.000 0.713 290 K HN 0.599 nan 8.250 nan 0.000 0.443 291 D N -0.229 120.214 120.400 0.071 0.000 2.120 291 D HA -0.127 4.512 4.640 -0.002 0.000 0.202 291 D C 1.961 178.362 176.300 0.167 0.000 0.972 291 D CA 1.490 55.556 54.000 0.111 0.000 0.837 291 D CB -0.353 40.491 40.800 0.073 0.000 0.989 291 D HN 0.226 nan 8.370 nan 0.000 0.469 292 V N -0.697 119.303 119.914 0.143 0.000 2.626 292 V HA -0.091 4.027 4.120 -0.002 0.000 0.252 292 V C 2.272 178.552 176.094 0.310 0.000 1.067 292 V CA 1.133 63.523 62.300 0.150 0.000 1.081 292 V CB -0.746 31.086 31.823 0.016 0.000 0.686 292 V HN 0.082 nan 8.190 nan 0.000 0.468 293 L N 0.312 121.719 121.223 0.308 0.000 2.298 293 L HA 0.037 4.375 4.340 -0.002 0.000 0.209 293 L C 2.646 179.672 176.870 0.261 0.000 1.084 293 L CA 1.147 56.197 54.840 0.349 0.000 0.816 293 L CB 0.042 42.285 42.059 0.306 0.000 0.967 293 L HN 0.413 nan 8.230 nan 0.000 0.460 294 V N -0.040 120.009 119.914 0.224 0.000 2.277 294 V HA -0.385 3.734 4.120 -0.002 0.000 0.255 294 V C 2.403 178.470 176.094 -0.045 0.000 1.074 294 V CA 2.513 64.859 62.300 0.077 0.000 1.058 294 V CB -1.374 30.535 31.823 0.143 0.000 0.656 294 V HN 0.690 nan 8.190 nan 0.000 0.449 295 R N 0.190 120.656 120.500 -0.057 0.000 2.316 295 R HA -0.052 4.287 4.340 -0.002 0.000 0.202 295 R C 1.746 177.826 176.300 -0.368 0.000 1.029 295 R CA 1.727 57.692 56.100 -0.226 0.000 1.018 295 R CB -0.590 29.529 30.300 -0.302 0.000 0.888 295 R HN 0.720 nan 8.270 nan 0.000 0.471 296 H N -1.016 118.027 119.070 -0.046 0.000 2.729 296 H HA 0.149 4.704 4.556 -0.002 0.000 0.263 296 H C 1.267 176.471 175.328 -0.207 0.000 0.961 296 H CA -0.029 55.971 56.048 -0.081 0.000 1.217 296 H CB 0.400 30.159 29.762 -0.005 0.000 1.447 296 H HN -0.047 nan 8.280 nan 0.000 0.496 297 L N 1.528 122.622 121.223 -0.215 0.000 2.054 297 L HA -0.196 4.143 4.340 -0.002 0.000 0.220 297 L C -0.676 175.938 176.870 -0.427 0.000 1.081 297 L CA 2.115 56.673 54.840 -0.469 0.000 0.780 297 L CB -1.390 40.160 42.059 -0.849 0.000 0.893 297 L HN 0.248 nan 8.230 nan 0.000 0.438 298 P HA -0.189 nan 4.420 nan 0.000 0.218 298 P C 1.609 178.857 177.300 -0.087 0.000 1.146 298 P CA 1.543 64.591 63.100 -0.087 0.000 0.813 298 P CB 0.058 31.753 31.700 -0.009 0.000 0.778 299 K N -1.343 118.994 120.400 -0.106 0.000 2.335 299 K HA 0.106 4.425 4.320 -0.002 0.000 0.195 299 K C 1.895 178.392 176.600 -0.172 0.000 1.058 299 K CA -0.004 56.226 56.287 -0.096 0.000 0.988 299 K CB -0.261 32.214 32.500 -0.042 0.000 0.880 299 K HN 0.027 nan 8.250 nan 0.000 0.513 300 L N 1.325 122.395 121.223 -0.255 0.000 1.961 300 L HA -0.206 4.132 4.340 -0.002 0.000 0.210 300 L C 2.010 178.678 176.870 -0.338 0.000 1.072 300 L CA 1.212 55.796 54.840 -0.427 0.000 0.749 300 L CB -0.335 41.407 42.059 -0.528 0.000 0.889 300 L HN 0.197 nan 8.230 nan 0.000 0.432 301 I N 0.556 120.964 120.570 -0.270 0.000 2.091 301 I HA -0.256 3.913 4.170 -0.002 0.000 0.240 301 I C -0.094 175.937 176.117 -0.143 0.000 1.046 301 I CA 1.957 63.143 61.300 -0.189 0.000 1.306 301 I CB -3.049 34.867 38.000 -0.140 0.000 1.018 301 I HN 0.239 nan 8.210 nan 0.000 0.404 302 P HA -0.082 nan 4.420 nan 0.000 0.219 302 P C 2.184 179.421 177.300 -0.105 0.000 1.146 302 P CA 0.997 64.040 63.100 -0.094 0.000 0.808 302 P CB 0.010 31.664 31.700 -0.076 0.000 0.779 303 V N -0.897 118.937 119.914 -0.133 0.000 2.283 303 V HA -0.185 3.933 4.120 -0.002 0.000 0.243 303 V C 2.359 178.382 176.094 -0.117 0.000 1.039 303 V CA 1.351 63.578 62.300 -0.121 0.000 1.016 303 V CB -1.254 30.487 31.823 -0.137 0.000 0.650 303 V HN -0.012 nan 8.190 nan 0.000 0.449 304 L N 0.226 121.357 121.223 -0.153 0.000 1.976 304 L HA -0.224 4.115 4.340 -0.002 0.000 0.223 304 L C 2.507 179.316 176.870 -0.102 0.000 1.081 304 L CA 1.924 56.692 54.840 -0.120 0.000 0.784 304 L CB -1.383 40.594 42.059 -0.137 0.000 0.896 304 L HN 0.161 nan 8.230 nan 0.000 0.438 305 V N -0.190 119.663 119.914 -0.102 0.000 2.324 305 V HA -0.338 3.781 4.120 -0.002 0.000 0.250 305 V C 2.334 178.366 176.094 -0.104 0.000 1.060 305 V CA 2.062 64.305 62.300 -0.094 0.000 1.042 305 V CB -0.849 30.924 31.823 -0.083 0.000 0.650 305 V HN 0.562 nan 8.190 nan 0.000 0.450 306 N N 0.781 119.422 118.700 -0.099 0.000 2.188 306 N HA -0.076 4.662 4.740 -0.002 0.000 0.184 306 N C 1.813 177.260 175.510 -0.105 0.000 1.018 306 N CA 1.412 54.403 53.050 -0.099 0.000 0.858 306 N CB -0.472 37.964 38.487 -0.085 0.000 0.989 306 N HN 0.395 nan 8.380 nan 0.000 0.426 307 G N -0.200 108.541 108.800 -0.098 0.000 2.471 307 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.219 307 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.219 307 G C 1.292 176.112 174.900 -0.134 0.000 1.125 307 G CA 0.347 45.386 45.100 -0.100 0.000 0.775 307 G HN 0.330 nan 8.290 nan 0.000 0.548 308 M N 0.087 119.599 119.600 -0.146 0.000 2.659 308 M HA 0.128 4.607 4.480 -0.002 0.000 0.243 308 M C 0.504 176.656 176.300 -0.246 0.000 1.111 308 M CA 0.457 55.644 55.300 -0.188 0.000 1.070 308 M CB 0.151 32.655 32.600 -0.160 0.000 1.525 308 M HN -0.008 nan 8.290 nan 0.000 0.517 309 K N 0.316 120.590 120.400 -0.211 0.000 2.270 309 K HA 0.119 4.438 4.320 -0.002 0.000 0.276 309 K C -0.810 175.668 176.600 -0.204 0.000 1.023 309 K CA -0.427 55.722 56.287 -0.230 0.000 0.955 309 K CB 0.448 32.839 32.500 -0.181 0.000 0.975 309 K HN -0.109 nan 8.250 nan 0.000 0.471 310 Y N 1.326 121.541 120.300 -0.140 0.000 2.811 310 Y HA -0.127 4.422 4.550 -0.002 0.000 0.334 310 Y C 1.292 177.122 175.900 -0.118 0.000 1.247 310 Y CA 0.193 58.226 58.100 -0.112 0.000 1.526 310 Y CB 0.176 38.582 38.460 -0.089 0.000 1.284 310 Y HN 0.576 nan 8.280 nan 0.000 0.586 311 S N 1.415 117.177 115.700 0.102 0.000 2.592 311 S HA 0.075 4.544 4.470 -0.002 0.000 0.271 311 S C 0.889 175.502 174.600 0.022 0.000 1.326 311 S CA -0.734 57.481 58.200 0.025 0.000 1.024 311 S CB 0.950 64.155 63.200 0.008 0.000 0.921 311 S HN 0.710 nan 8.310 nan 0.000 0.527 312 D N 0.818 121.215 120.400 -0.006 0.000 2.203 312 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 312 D C 1.817 178.118 176.300 0.001 0.000 0.997 312 D CA 1.292 55.288 54.000 -0.006 0.000 0.863 312 D CB -0.073 40.720 40.800 -0.012 0.000 0.928 312 D HN 0.528 nan 8.370 nan 0.000 0.458 313 I N 1.360 121.930 120.570 0.001 0.000 2.163 313 I HA -0.190 3.979 4.170 -0.002 0.000 0.240 313 I C 1.973 178.087 176.117 -0.005 0.000 1.081 313 I CA 1.040 62.340 61.300 -0.000 0.000 1.353 313 I CB -1.371 36.629 38.000 0.000 0.000 1.054 313 I HN -0.111 nan 8.210 nan 0.000 0.407 314 D N 1.347 121.750 120.400 0.005 0.000 2.157 314 D HA -0.206 4.433 4.640 -0.002 0.000 0.191 314 D C 2.324 178.564 176.300 -0.099 0.000 1.004 314 D CA 1.374 55.367 54.000 -0.012 0.000 0.854 314 D CB -0.295 40.563 40.800 0.097 0.000 0.936 314 D HN 0.360 nan 8.370 nan 0.000 0.446 315 I N 0.511 121.036 120.570 -0.075 0.000 2.099 315 I HA -0.270 3.899 4.170 -0.002 0.000 0.239 315 I C 2.518 178.619 176.117 -0.027 0.000 1.066 315 I CA 0.973 62.243 61.300 -0.049 0.000 1.324 315 I CB -0.240 37.793 38.000 0.054 0.000 1.037 315 I HN -0.030 nan 8.210 nan 0.000 0.401 316 I N -0.038 120.527 120.570 -0.008 0.000 2.286 316 I HA -0.263 3.905 4.170 -0.002 0.000 0.248 316 I C 2.124 178.230 176.117 -0.020 0.000 1.115 316 I CA 0.937 62.234 61.300 -0.006 0.000 1.392 316 I CB -0.139 37.862 38.000 0.002 0.000 1.065 316 I HN 0.224 nan 8.210 nan 0.000 0.418 317 L N -0.085 121.122 121.223 -0.027 0.000 2.633 317 L HA -0.042 4.297 4.340 -0.002 0.000 0.235 317 L C 1.261 178.106 176.870 -0.041 0.000 1.163 317 L CA 1.582 56.406 54.840 -0.027 0.000 0.859 317 L CB -0.317 41.730 42.059 -0.020 0.000 0.973 317 L HN 0.187 nan 8.230 nan 0.000 0.451 318 L N -3.094 118.094 121.223 -0.058 0.000 2.923 318 L HA 0.248 4.587 4.340 -0.002 0.000 0.161 318 L C 0.363 177.193 176.870 -0.067 0.000 1.202 318 L CA -0.312 54.484 54.840 -0.073 0.000 0.920 318 L CB 0.078 42.063 42.059 -0.123 0.000 1.773 318 L HN -0.223 nan 8.230 nan 0.000 0.532 367 D N 2.191 122.602 120.400 0.018 0.000 3.729 367 D HA -0.108 4.531 4.640 -0.002 0.000 0.242 367 D C -1.158 175.154 176.300 0.019 0.000 1.091 367 D CA 1.400 55.415 54.000 0.024 0.000 1.096 367 D CB -1.019 39.801 40.800 0.034 0.000 0.901 367 D HN 0.520 nan 8.370 nan 0.000 0.416 368 D N -0.318 120.090 120.400 0.013 0.000 4.353 368 D HA -0.175 4.464 4.640 -0.002 0.000 0.242 368 D C 0.978 177.286 176.300 0.014 0.000 1.063 368 D CA 1.351 55.360 54.000 0.014 0.000 1.224 368 D CB -0.555 40.258 40.800 0.021 0.000 0.831 368 D HN 0.521 nan 8.370 nan 0.000 0.405 369 T N 1.113 115.672 114.554 0.007 0.000 3.014 369 T HA 0.020 4.369 4.350 -0.002 0.000 0.263 369 T C 1.289 175.993 174.700 0.008 0.000 1.078 369 T CA 0.296 62.399 62.100 0.005 0.000 1.135 369 T CB 0.299 69.165 68.868 -0.004 0.000 0.895 369 T HN 0.351 nan 8.240 nan 0.000 0.480 370 I N 1.949 122.526 120.570 0.012 0.000 2.713 370 I HA 0.313 4.482 4.170 -0.002 0.000 0.300 370 I C 0.923 177.059 176.117 0.031 0.000 1.009 370 I CA -0.375 60.937 61.300 0.019 0.000 1.305 370 I CB 1.353 39.369 38.000 0.027 0.000 1.430 370 I HN 0.165 nan 8.210 nan 0.000 0.546 371 S N 2.452 118.173 115.700 0.035 0.000 2.566 371 S HA -0.095 4.374 4.470 -0.002 0.000 0.280 371 S C 1.034 175.679 174.600 0.075 0.000 1.343 371 S CA -0.031 58.201 58.200 0.053 0.000 1.036 371 S CB 0.278 63.510 63.200 0.054 0.000 0.866 371 S HN 0.628 nan 8.310 nan 0.000 0.526 372 D N 1.943 122.407 120.400 0.106 0.000 2.264 372 D HA 0.038 4.677 4.640 -0.002 0.000 0.208 372 D C -0.253 176.211 176.300 0.274 0.000 0.966 372 D CA 0.820 54.907 54.000 0.145 0.000 0.864 372 D CB 0.208 41.080 40.800 0.120 0.000 0.933 372 D HN 0.516 nan 8.370 nan 0.000 0.499 373 W N 1.395 122.691 121.300 -0.006 0.000 3.544 373 W HA 0.195 4.854 4.660 -0.002 0.000 0.326 373 W C -1.724 174.792 176.519 -0.004 0.000 1.137 373 W CA -0.625 56.716 57.345 -0.008 0.000 1.252 373 W CB 0.355 29.810 29.460 -0.008 0.000 1.302 373 W HN -0.066 nan 8.180 nan 0.000 0.467 374 N N 3.219 121.630 118.700 -0.483 0.000 3.316 374 N HA 0.242 4.980 4.740 -0.002 0.000 0.300 374 N C 0.123 175.343 175.510 -0.483 0.000 1.567 374 N CA -0.805 52.039 53.050 -0.343 0.000 0.821 374 N CB 1.345 39.734 38.487 -0.165 0.000 1.748 374 N HN 0.294 nan 8.380 nan 0.000 0.603 375 L N 1.345 122.408 121.223 -0.266 0.000 2.013 375 L HA -0.108 4.230 4.340 -0.002 0.000 0.212 375 L C 2.816 179.526 176.870 -0.267 0.000 1.073 375 L CA 1.915 56.623 54.840 -0.221 0.000 0.753 375 L CB -0.925 41.060 42.059 -0.124 0.000 0.890 375 L HN 0.798 nan 8.230 nan 0.000 0.432 376 R N -0.362 119.985 120.500 -0.254 0.000 2.070 376 R HA -0.180 4.159 4.340 -0.002 0.000 0.233 376 R C 2.247 178.354 176.300 -0.323 0.000 1.137 376 R CA 1.894 57.839 56.100 -0.258 0.000 0.945 376 R CB -0.236 29.917 30.300 -0.245 0.000 0.845 376 R HN 0.398 nan 8.270 nan 0.000 0.430 377 K N -0.073 120.071 120.400 -0.427 0.000 2.147 377 K HA -0.153 4.166 4.320 -0.002 0.000 0.205 377 K C 2.322 178.522 176.600 -0.667 0.000 1.049 377 K CA 1.254 57.244 56.287 -0.496 0.000 0.936 377 K CB -0.378 31.818 32.500 -0.507 0.000 0.722 377 K HN 0.300 nan 8.250 nan 0.000 0.446 378 C N 1.131 119.886 119.300 -0.908 0.000 2.466 378 C HA -0.060 4.399 4.460 -0.002 0.000 0.278 378 C C 2.807 177.696 174.990 -0.169 0.000 1.288 378 C CA 1.023 59.659 59.018 -0.637 0.000 1.722 378 C CB -0.766 26.679 27.740 -0.492 0.000 2.017 378 C HN 0.419 nan 8.230 nan 0.000 0.488 379 S N 1.260 116.861 115.700 -0.165 0.000 2.359 379 S HA -0.124 4.345 4.470 -0.002 0.000 0.224 379 S C 2.201 176.769 174.600 -0.053 0.000 1.035 379 S CA 1.589 59.750 58.200 -0.065 0.000 1.018 379 S CB -0.699 62.445 63.200 -0.093 0.000 0.876 379 S HN 0.836 nan 8.310 nan 0.000 0.448 380 A N 1.745 124.503 122.820 -0.103 0.000 1.902 380 A HA 0.145 4.464 4.320 -0.002 0.000 0.217 380 A C 2.391 179.976 177.584 0.001 0.000 1.181 380 A CA 1.676 53.675 52.037 -0.063 0.000 0.623 380 A CB -1.196 17.735 19.000 -0.115 0.000 0.818 380 A HN 0.517 nan 8.150 nan 0.000 0.443 381 A N 0.113 122.939 122.820 0.011 0.000 1.873 381 A HA 0.030 4.348 4.320 -0.002 0.000 0.218 381 A C 2.551 180.207 177.584 0.120 0.000 1.193 381 A CA 2.614 54.719 52.037 0.114 0.000 0.629 381 A CB -1.207 17.948 19.000 0.259 0.000 0.826 381 A HN 1.136 nan 8.150 nan 0.000 0.447 382 A N -0.859 122.034 122.820 0.121 0.000 1.877 382 A HA -0.051 4.268 4.320 -0.002 0.000 0.216 382 A C 2.157 179.798 177.584 0.094 0.000 1.186 382 A CA 1.818 53.936 52.037 0.136 0.000 0.620 382 A CB -0.735 18.374 19.000 0.183 0.000 0.822 382 A HN 0.621 nan 8.150 nan 0.000 0.443 383 L N 0.598 121.855 121.223 0.056 0.000 1.990 383 L HA -0.229 4.110 4.340 -0.002 0.000 0.213 383 L C 2.237 179.146 176.870 0.065 0.000 1.072 383 L CA 2.738 57.601 54.840 0.039 0.000 0.755 383 L CB -0.681 41.386 42.059 0.012 0.000 0.889 383 L HN 0.599 nan 8.230 nan 0.000 0.432 384 D N -0.873 119.572 120.400 0.076 0.000 2.106 384 D HA -0.192 4.447 4.640 -0.002 0.000 0.191 384 D C 2.048 178.397 176.300 0.082 0.000 0.997 384 D CA 2.178 56.230 54.000 0.088 0.000 0.834 384 D CB -0.022 40.843 40.800 0.107 0.000 0.956 384 D HN 0.247 nan 8.370 nan 0.000 0.448 385 V N 1.262 121.228 119.914 0.087 0.000 2.287 385 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 385 V C 2.924 179.073 176.094 0.092 0.000 1.053 385 V CA 1.378 63.726 62.300 0.080 0.000 1.027 385 V CB -0.623 31.249 31.823 0.082 0.000 0.646 385 V HN 0.267 nan 8.190 nan 0.000 0.447 386 L N 0.218 121.514 121.223 0.122 0.000 2.043 386 L HA -0.225 4.114 4.340 -0.002 0.000 0.212 386 L C 2.729 179.724 176.870 0.208 0.000 1.075 386 L CA 1.674 56.630 54.840 0.194 0.000 0.752 386 L CB -0.851 41.312 42.059 0.173 0.000 0.891 386 L HN 0.387 nan 8.230 nan 0.000 0.432 387 A N 0.011 122.910 122.820 0.132 0.000 1.972 387 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 387 A C 2.008 179.648 177.584 0.095 0.000 1.169 387 A CA 1.786 53.891 52.037 0.113 0.000 0.635 387 A CB -0.537 18.509 19.000 0.077 0.000 0.810 387 A HN 0.507 nan 8.150 nan 0.000 0.446 388 N N -0.240 118.501 118.700 0.070 0.000 2.457 388 N HA -0.038 4.701 4.740 -0.002 0.000 0.180 388 N C 1.516 177.035 175.510 0.014 0.000 1.050 388 N CA 1.209 54.281 53.050 0.037 0.000 0.906 388 N CB 0.123 38.625 38.487 0.025 0.000 0.968 388 N HN 0.349 nan 8.380 nan 0.000 0.445 389 V N -0.085 119.837 119.914 0.013 0.000 2.374 389 V HA -0.108 4.010 4.120 -0.002 0.000 0.241 389 V C 1.399 177.376 176.094 -0.195 0.000 1.034 389 V CA 1.193 63.422 62.300 -0.118 0.000 1.037 389 V CB -0.520 31.190 31.823 -0.189 0.000 0.682 389 V HN 0.147 nan 8.190 nan 0.000 0.463 390 Y N 0.140 120.456 120.300 0.026 0.000 2.523 390 Y HA 0.134 4.683 4.550 -0.002 0.000 0.279 390 Y C 1.642 177.563 175.900 0.035 0.000 1.139 390 Y CA -0.438 57.681 58.100 0.032 0.000 1.296 390 Y CB 0.014 38.496 38.460 0.036 0.000 1.045 390 Y HN 0.159 nan 8.280 nan 0.000 0.538 391 R N -0.170 120.417 120.500 0.145 0.000 3.750 391 R HA -0.309 4.029 4.340 -0.002 0.000 0.495 391 R C 0.797 177.165 176.300 0.113 0.000 0.241 391 R CA 1.535 57.695 56.100 0.100 0.000 1.551 391 R CB -1.703 28.636 30.300 0.064 0.000 0.956 391 R HN 0.225 nan 8.270 nan 0.000 0.584 392 D N 1.326 121.779 120.400 0.088 0.000 2.263 392 D HA -0.085 4.553 4.640 -0.002 0.000 0.208 392 D C 1.586 177.939 176.300 0.087 0.000 0.971 392 D CA 1.171 55.218 54.000 0.078 0.000 0.867 392 D CB -0.304 40.533 40.800 0.062 0.000 0.929 392 D HN 0.476 nan 8.370 nan 0.000 0.492 393 E N -0.145 120.129 120.200 0.124 0.000 2.515 393 E HA -0.110 4.239 4.350 -0.002 0.000 0.201 393 E C 1.577 178.270 176.600 0.155 0.000 1.071 393 E CA 0.020 56.506 56.400 0.144 0.000 0.880 393 E CB 0.077 29.902 29.700 0.209 0.000 0.828 393 E HN 0.140 nan 8.360 nan 0.000 0.540 394 L N 0.042 121.351 121.223 0.144 0.000 2.416 394 L HA 0.066 4.405 4.340 -0.002 0.000 0.216 394 L C 1.733 178.663 176.870 0.100 0.000 1.098 394 L CA 0.665 55.582 54.840 0.128 0.000 0.840 394 L CB 0.112 42.230 42.059 0.098 0.000 0.981 394 L HN 0.134 nan 8.230 nan 0.000 0.462 395 L N 0.221 121.466 121.223 0.036 0.000 2.042 395 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 395 L C -0.226 176.584 176.870 -0.100 0.000 1.076 395 L CA 1.193 56.018 54.840 -0.026 0.000 0.749 395 L CB -1.942 40.107 42.059 -0.016 0.000 0.893 395 L HN 0.230 nan 8.230 nan 0.000 0.432 396 P HA -0.200 nan 4.420 nan 0.000 0.217 396 P C 0.887 177.952 177.300 -0.393 0.000 1.148 396 P CA 1.729 64.629 63.100 -0.334 0.000 0.834 396 P CB -0.087 31.303 31.700 -0.518 0.000 0.783 397 H N -3.124 115.896 119.070 -0.084 0.000 2.562 397 H HA 0.216 4.771 4.556 -0.002 0.000 0.267 397 H C 1.826 177.098 175.328 -0.092 0.000 0.959 397 H CA 0.290 56.281 56.048 -0.096 0.000 1.204 397 H CB -0.089 29.598 29.762 -0.124 0.000 1.430 397 H HN 0.110 nan 8.280 nan 0.000 0.545 398 I N -0.750 119.820 120.570 0.000 0.000 3.172 398 I HA -0.058 4.111 4.170 -0.002 0.000 0.278 398 I C 1.252 177.325 176.117 -0.074 0.000 1.174 398 I CA 0.260 61.541 61.300 -0.031 0.000 1.445 398 I CB 0.326 38.313 38.000 -0.022 0.000 1.175 398 I HN 0.092 nan 8.210 nan 0.000 0.447 399 L N 1.934 123.089 121.223 -0.113 0.000 2.017 399 L HA -0.024 4.315 4.340 -0.002 0.000 0.208 399 L C -0.519 176.267 176.870 -0.140 0.000 1.073 399 L CA 2.337 57.071 54.840 -0.176 0.000 0.745 399 L CB -2.071 39.835 42.059 -0.256 0.000 0.894 399 L HN 0.119 nan 8.230 nan 0.000 0.432 400 P HA -0.176 nan 4.420 nan 0.000 0.216 400 P C 1.936 179.206 177.300 -0.050 0.000 1.150 400 P CA 1.181 64.238 63.100 -0.072 0.000 0.843 400 P CB 0.058 31.720 31.700 -0.065 0.000 0.787 401 L N -1.569 119.624 121.223 -0.050 0.000 2.027 401 L HA -0.133 4.206 4.340 -0.002 0.000 0.206 401 L C 2.530 179.378 176.870 -0.036 0.000 1.074 401 L CA 1.596 56.413 54.840 -0.038 0.000 0.745 401 L CB -1.529 40.504 42.059 -0.043 0.000 0.898 401 L HN -0.070 nan 8.230 nan 0.000 0.433 402 L N -0.703 120.485 121.223 -0.057 0.000 1.971 402 L HA -0.307 4.032 4.340 -0.002 0.000 0.215 402 L C 2.778 179.627 176.870 -0.036 0.000 1.072 402 L CA 1.515 56.316 54.840 -0.066 0.000 0.758 402 L CB -0.607 41.391 42.059 -0.100 0.000 0.889 402 L HN 0.304 nan 8.230 nan 0.000 0.433 403 K N 0.339 120.739 120.400 -0.000 0.000 2.077 403 K HA -0.301 4.017 4.320 -0.002 0.000 0.213 403 K C 1.943 178.650 176.600 0.177 0.000 1.051 403 K CA 2.204 58.563 56.287 0.120 0.000 0.929 403 K CB -0.263 32.270 32.500 0.055 0.000 0.715 403 K HN 0.405 nan 8.250 nan 0.000 0.451 404 E N 0.046 120.297 120.200 0.086 0.000 2.106 404 E HA -0.145 4.203 4.350 -0.002 0.000 0.192 404 E C 2.295 178.974 176.600 0.133 0.000 0.984 404 E CA 0.812 57.271 56.400 0.099 0.000 0.806 404 E CB 0.037 29.773 29.700 0.060 0.000 0.750 404 E HN 0.285 nan 8.360 nan 0.000 0.458 405 L N 0.340 121.599 121.223 0.060 0.000 2.068 405 L HA -0.100 4.239 4.340 -0.002 0.000 0.204 405 L C 2.512 179.374 176.870 -0.015 0.000 1.076 405 L CA 0.546 55.401 54.840 0.025 0.000 0.753 405 L CB -0.224 41.811 42.059 -0.040 0.000 0.910 405 L HN 0.190 nan 8.230 nan 0.000 0.439 406 L N -1.096 120.030 121.223 -0.161 0.000 2.265 406 L HA -0.160 4.178 4.340 -0.002 0.000 0.215 406 L C 0.667 177.231 176.870 -0.510 0.000 1.117 406 L CA 1.091 55.690 54.840 -0.402 0.000 0.782 406 L CB -0.137 41.495 42.059 -0.712 0.000 0.914 406 L HN 0.196 nan 8.230 nan 0.000 0.441 407 F N -2.159 117.815 119.950 0.041 0.000 2.928 407 F HA 0.286 4.811 4.527 -0.002 0.000 0.337 407 F C 0.620 176.382 175.800 -0.064 0.000 1.259 407 F CA -0.629 57.359 58.000 -0.021 0.000 1.267 407 F CB -0.321 38.603 39.000 -0.127 0.000 0.986 407 F HN -0.035 nan 8.300 nan 0.000 0.507 408 H N 0.055 119.137 119.070 0.020 0.000 2.472 408 H HA 0.251 4.806 4.556 -0.002 0.000 0.335 408 H C 0.835 176.162 175.328 -0.001 0.000 1.136 408 H CA -0.105 55.928 56.048 -0.024 0.000 1.264 408 H CB 1.070 30.834 29.762 0.003 0.000 1.486 408 H HN 0.203 nan 8.280 nan 0.000 0.517 409 H N 2.409 121.551 119.070 0.120 0.000 2.462 409 H HA 0.000 4.555 4.556 -0.002 0.000 0.292 409 H C -0.069 175.433 175.328 0.290 0.000 1.049 409 H CA 0.602 56.754 56.048 0.172 0.000 1.334 409 H CB 0.554 30.345 29.762 0.048 0.000 1.404 409 H HN 0.595 nan 8.280 nan 0.000 0.544 410 E N 1.978 122.532 120.200 0.589 0.000 2.152 410 E HA -0.030 4.318 4.350 -0.002 0.000 0.285 410 E C 0.951 177.631 176.600 0.133 0.000 1.043 410 E CA -0.546 56.014 56.400 0.266 0.000 0.839 410 E CB 0.604 30.362 29.700 0.097 0.000 1.069 410 E HN 0.474 nan 8.360 nan 0.000 0.399 411 W N 4.200 125.565 121.300 0.110 0.000 2.374 411 W HA -0.164 4.496 4.660 -0.001 0.000 0.288 411 W C 0.646 177.198 176.519 0.054 0.000 1.218 411 W CA 0.551 57.946 57.345 0.082 0.000 1.245 411 W CB -0.694 28.812 29.460 0.076 0.000 1.126 411 W HN 0.271 nan 8.180 nan 0.000 0.545 412 V N 2.171 121.477 119.914 -1.013 0.000 2.392 412 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 412 V C 2.616 178.472 176.094 -0.397 0.000 1.059 412 V CA 2.237 63.978 62.300 -0.931 0.000 1.051 412 V CB -1.246 30.036 31.823 -0.901 0.000 0.658 412 V HN 0.113 nan 8.190 nan 0.000 0.455 413 V N -0.119 119.581 119.914 -0.356 0.000 2.283 413 V HA -0.243 3.876 4.120 -0.002 0.000 0.243 413 V C 2.407 178.397 176.094 -0.174 0.000 1.039 413 V CA 2.184 64.282 62.300 -0.336 0.000 1.016 413 V CB -0.787 30.620 31.823 -0.692 0.000 0.650 413 V HN 0.511 nan 8.190 nan 0.000 0.449 414 K N 0.128 120.495 120.400 -0.055 0.000 2.074 414 K HA -0.283 4.036 4.320 -0.002 0.000 0.209 414 K C 2.337 178.964 176.600 0.044 0.000 1.048 414 K CA 1.974 58.288 56.287 0.044 0.000 0.926 414 K CB -0.226 32.361 32.500 0.145 0.000 0.713 414 K HN 0.468 nan 8.250 nan 0.000 0.444 415 E N 0.922 121.178 120.200 0.094 0.000 2.051 415 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 415 E C 1.903 178.507 176.600 0.007 0.000 0.991 415 E CA 1.854 58.332 56.400 0.129 0.000 0.799 415 E CB -0.215 29.669 29.700 0.306 0.000 0.748 415 E HN 0.431 nan 8.360 nan 0.000 0.449 416 S N -0.363 115.288 115.700 -0.081 0.000 2.399 416 S HA -0.079 4.390 4.470 -0.002 0.000 0.231 416 S C 2.185 176.739 174.600 -0.076 0.000 1.022 416 S CA 1.345 59.468 58.200 -0.130 0.000 0.983 416 S CB -0.845 62.250 63.200 -0.175 0.000 0.803 416 S HN 0.333 nan 8.310 nan 0.000 0.480 417 G N 2.180 110.945 108.800 -0.059 0.000 2.433 417 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.216 417 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.216 417 G C 1.416 176.309 174.900 -0.011 0.000 1.186 417 G CA 1.016 46.088 45.100 -0.047 0.000 0.779 417 G HN 0.571 nan 8.290 nan 0.000 0.543 418 I N 0.277 120.856 120.570 0.014 0.000 2.264 418 I HA -0.164 4.005 4.170 -0.002 0.000 0.248 418 I C 2.590 178.785 176.117 0.130 0.000 1.111 418 I CA 0.613 61.950 61.300 0.062 0.000 1.382 418 I CB -0.248 37.798 38.000 0.077 0.000 1.060 418 I HN 0.178 nan 8.210 nan 0.000 0.418 419 L N 0.593 121.879 121.223 0.105 0.000 1.989 419 L HA -0.170 4.169 4.340 -0.002 0.000 0.211 419 L C 2.477 179.446 176.870 0.166 0.000 1.071 419 L CA 1.819 56.747 54.840 0.147 0.000 0.749 419 L CB -0.661 41.383 42.059 -0.026 0.000 0.890 419 L HN -0.017 nan 8.230 nan 0.000 0.431 420 V N -0.174 119.778 119.914 0.063 0.000 2.250 420 V HA -0.369 3.749 4.120 -0.002 0.000 0.250 420 V C 2.657 178.804 176.094 0.088 0.000 1.060 420 V CA 2.239 64.568 62.300 0.049 0.000 1.030 420 V CB -0.730 31.091 31.823 -0.003 0.000 0.643 420 V HN 0.546 nan 8.190 nan 0.000 0.445 421 L N 0.062 121.336 121.223 0.085 0.000 2.043 421 L HA -0.198 4.141 4.340 -0.002 0.000 0.212 421 L C 2.368 179.339 176.870 0.168 0.000 1.075 421 L CA 2.175 57.082 54.840 0.112 0.000 0.752 421 L CB -0.857 41.254 42.059 0.086 0.000 0.891 421 L HN 0.504 nan 8.230 nan 0.000 0.432 422 G N -1.568 107.323 108.800 0.151 0.000 2.403 422 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.216 422 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.216 422 G C 1.651 176.566 174.900 0.025 0.000 1.154 422 G CA 0.612 45.665 45.100 -0.078 0.000 0.784 422 G HN 0.544 nan 8.290 nan 0.000 0.538 423 A N 1.366 124.355 122.820 0.282 0.000 1.902 423 A HA 0.009 4.328 4.320 -0.002 0.000 0.217 423 A C 2.265 179.916 177.584 0.112 0.000 1.181 423 A CA 1.674 53.865 52.037 0.256 0.000 0.623 423 A CB -0.387 18.715 19.000 0.169 0.000 0.818 423 A HN 0.791 nan 8.150 nan 0.000 0.443 424 I N -2.923 117.691 120.570 0.074 0.000 3.564 424 I HA 0.357 4.526 4.170 -0.002 0.000 0.294 424 I C 1.926 178.056 176.117 0.023 0.000 1.289 424 I CA 0.601 61.933 61.300 0.053 0.000 1.325 424 I CB -0.562 37.472 38.000 0.056 0.000 1.039 424 I HN 0.114 nan 8.210 nan 0.000 0.474 425 A N 1.230 124.008 122.820 -0.070 0.000 1.877 425 A HA -0.227 4.091 4.320 -0.002 0.000 0.216 425 A C 2.408 179.891 177.584 -0.168 0.000 1.186 425 A CA 1.961 53.853 52.037 -0.241 0.000 0.620 425 A CB -0.775 17.731 19.000 -0.823 0.000 0.822 425 A HN 0.620 nan 8.150 nan 0.000 0.443 426 E N -0.731 119.388 120.200 -0.134 0.000 2.038 426 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 426 E C 2.084 178.669 176.600 -0.025 0.000 1.000 426 E CA 1.262 57.613 56.400 -0.082 0.000 0.803 426 E CB -0.425 29.244 29.700 -0.050 0.000 0.750 426 E HN 0.498 nan 8.360 nan 0.000 0.448 427 G N -0.096 108.706 108.800 0.003 0.000 2.394 427 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.214 427 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.214 427 G C 1.311 176.236 174.900 0.042 0.000 1.176 427 G CA 0.828 45.945 45.100 0.027 0.000 0.786 427 G HN 0.398 nan 8.290 nan 0.000 0.533 428 C N 1.119 120.450 119.300 0.051 0.000 2.396 428 C HA 0.384 4.843 4.460 -0.002 0.000 0.334 428 C C 2.166 177.202 174.990 0.077 0.000 1.313 428 C CA -0.514 58.544 59.018 0.065 0.000 1.719 428 C CB -1.167 26.614 27.740 0.068 0.000 1.893 428 C HN 0.444 nan 8.230 nan 0.000 0.589 429 M N 1.883 121.524 119.600 0.070 0.000 2.065 429 M HA -0.168 4.311 4.480 -0.002 0.000 0.259 429 M C 2.347 178.689 176.300 0.069 0.000 1.071 429 M CA 2.060 57.417 55.300 0.095 0.000 1.109 429 M CB -0.502 32.144 32.600 0.077 0.000 1.313 429 M HN 0.276 nan 8.290 nan 0.000 0.408 430 Q N -0.261 119.573 119.800 0.057 0.000 2.077 430 Q HA -0.096 4.243 4.340 -0.002 0.000 0.206 430 Q C 2.211 178.230 176.000 0.030 0.000 0.989 430 Q CA 2.043 57.872 55.803 0.043 0.000 0.853 430 Q CB -1.716 27.049 28.738 0.044 0.000 0.907 430 Q HN 0.719 nan 8.270 nan 0.000 0.418 431 G N 0.287 109.117 108.800 0.050 0.000 2.448 431 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.219 431 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.219 431 G C 1.340 176.309 174.900 0.115 0.000 1.127 431 G CA 0.780 45.924 45.100 0.074 0.000 0.766 431 G HN 0.166 nan 8.290 nan 0.000 0.552 432 M N 0.512 120.155 119.600 0.071 0.000 2.288 432 M HA 0.148 4.626 4.480 -0.002 0.000 0.266 432 M C 2.507 178.752 176.300 -0.092 0.000 1.072 432 M CA 0.147 55.481 55.300 0.057 0.000 1.132 432 M CB -0.786 31.814 32.600 0.002 0.000 1.386 432 M HN 0.095 nan 8.290 nan 0.000 0.432 433 I N 1.025 121.480 120.570 -0.192 0.000 2.130 433 I HA -0.292 3.876 4.170 -0.002 0.000 0.241 433 I C -0.470 175.400 176.117 -0.412 0.000 1.023 433 I CA 2.161 63.230 61.300 -0.384 0.000 1.293 433 I CB -2.967 34.925 38.000 -0.180 0.000 1.001 433 I HN 0.138 nan 8.210 nan 0.000 0.407 434 P HA -0.166 nan 4.420 nan 0.000 0.219 434 P C 1.321 178.280 177.300 -0.568 0.000 1.146 434 P CA 1.601 64.411 63.100 -0.483 0.000 0.808 434 P CB -0.173 31.114 31.700 -0.689 0.000 0.779 435 Y N -2.192 117.971 120.300 -0.228 0.000 2.462 435 Y HA 0.169 4.718 4.550 -0.002 0.000 0.261 435 Y C 2.074 177.798 175.900 -0.295 0.000 1.146 435 Y CA -0.079 57.901 58.100 -0.201 0.000 1.283 435 Y CB -0.753 37.613 38.460 -0.158 0.000 1.090 435 Y HN -0.159 nan 8.280 nan 0.000 0.526 436 L N 0.557 121.530 121.223 -0.416 0.000 2.056 436 L HA -0.102 4.237 4.340 -0.002 0.000 0.207 436 L C -0.532 176.068 176.870 -0.450 0.000 1.078 436 L CA 0.966 55.381 54.840 -0.708 0.000 0.749 436 L CB -1.615 39.519 42.059 -1.541 0.000 0.901 436 L HN 0.129 nan 8.230 nan 0.000 0.433 437 P HA -0.223 nan 4.420 nan 0.000 0.218 437 P C 1.128 178.528 177.300 0.168 0.000 1.146 437 P CA 1.559 64.745 63.100 0.144 0.000 0.813 437 P CB 0.039 31.844 31.700 0.175 0.000 0.778 438 E N -1.521 118.722 120.200 0.072 0.000 2.389 438 E HA 0.043 4.392 4.350 -0.002 0.000 0.199 438 E C 1.766 178.449 176.600 0.137 0.000 0.978 438 E CA 0.095 56.566 56.400 0.119 0.000 0.912 438 E CB -0.971 28.787 29.700 0.096 0.000 0.907 438 E HN 0.128 nan 8.360 nan 0.000 0.494 439 L N 0.662 121.913 121.223 0.048 0.000 2.068 439 L HA -0.044 4.295 4.340 -0.002 0.000 0.204 439 L C 2.323 179.225 176.870 0.053 0.000 1.076 439 L CA 0.420 55.284 54.840 0.040 0.000 0.753 439 L CB -0.316 41.675 42.059 -0.114 0.000 0.910 439 L HN 0.211 nan 8.230 nan 0.000 0.439 440 I N 0.485 121.046 120.570 -0.016 0.000 2.127 440 I HA -0.190 3.979 4.170 -0.002 0.000 0.241 440 I C -0.052 176.173 176.117 0.180 0.000 1.075 440 I CA 1.904 63.240 61.300 0.059 0.000 1.334 440 I CB -2.605 35.422 38.000 0.045 0.000 1.040 440 I HN 0.173 nan 8.210 nan 0.000 0.405 441 P HA -0.164 nan 4.420 nan 0.000 0.217 441 P C 1.720 179.142 177.300 0.203 0.000 1.150 441 P CA 1.547 64.792 63.100 0.241 0.000 0.832 441 P CB -0.167 31.682 31.700 0.249 0.000 0.787 442 H N -0.118 119.026 119.070 0.124 0.000 2.353 442 H HA -0.067 4.488 4.556 -0.002 0.000 0.300 442 H C 1.754 177.127 175.328 0.076 0.000 1.090 442 H CA 1.513 57.632 56.048 0.119 0.000 1.327 442 H CB -1.077 28.773 29.762 0.148 0.000 1.383 442 H HN -0.022 nan 8.280 nan 0.000 0.508 443 L N -0.304 120.886 121.223 -0.055 0.000 2.056 443 L HA -0.148 4.191 4.340 -0.002 0.000 0.207 443 L C 2.254 179.097 176.870 -0.046 0.000 1.078 443 L CA 0.564 55.340 54.840 -0.107 0.000 0.749 443 L CB -0.368 41.685 42.059 -0.011 0.000 0.901 443 L HN 0.307 nan 8.230 nan 0.000 0.433 444 I N -0.014 120.572 120.570 0.028 0.000 2.194 444 I HA -0.319 3.850 4.170 -0.002 0.000 0.246 444 I C 2.589 178.717 176.117 0.019 0.000 1.093 444 I CA 1.564 62.892 61.300 0.046 0.000 1.355 444 I CB -1.175 36.875 38.000 0.084 0.000 1.046 444 I HN 0.363 nan 8.210 nan 0.000 0.413 445 Q N 0.520 120.324 119.800 0.006 0.000 2.124 445 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 445 Q C 2.433 178.408 176.000 -0.041 0.000 0.977 445 Q CA 1.838 57.642 55.803 0.002 0.000 0.850 445 Q CB -0.290 28.476 28.738 0.045 0.000 0.901 445 Q HN 0.537 nan 8.270 nan 0.000 0.429 446 C N -0.232 118.996 119.300 -0.120 0.000 2.432 446 C HA 0.004 4.463 4.460 -0.002 0.000 0.280 446 C C 2.326 177.296 174.990 -0.033 0.000 1.353 446 C CA 0.189 59.141 59.018 -0.109 0.000 1.766 446 C CB -1.131 26.497 27.740 -0.187 0.000 1.924 446 C HN 0.545 nan 8.230 nan 0.000 0.509 447 L N 0.954 122.169 121.223 -0.013 0.000 2.189 447 L HA -0.169 4.169 4.340 -0.002 0.000 0.214 447 L C 2.142 179.016 176.870 0.008 0.000 1.097 447 L CA 1.388 56.236 54.840 0.013 0.000 0.764 447 L CB -0.512 41.564 42.059 0.028 0.000 0.900 447 L HN 0.315 nan 8.230 nan 0.000 0.436 448 S N -1.829 113.873 115.700 0.003 0.000 2.605 448 S HA 0.012 4.481 4.470 -0.002 0.000 0.217 448 S C 0.559 175.159 174.600 -0.001 0.000 0.958 448 S CA -0.345 57.857 58.200 0.003 0.000 0.919 448 S CB -0.365 62.840 63.200 0.009 0.000 0.780 448 S HN 0.344 nan 8.310 nan 0.000 0.507 449 D N 2.339 122.737 120.400 -0.003 0.000 2.419 449 D HA -0.010 4.629 4.640 -0.002 0.000 0.236 449 D C 0.898 177.178 176.300 -0.033 0.000 1.165 449 D CA 0.343 54.340 54.000 -0.005 0.000 0.882 449 D CB 0.826 41.629 40.800 0.004 0.000 1.201 449 D HN 0.277 nan 8.370 nan 0.000 0.443 450 K N 2.078 122.450 120.400 -0.046 0.000 2.167 450 K HA 0.020 4.338 4.320 -0.002 0.000 0.203 450 K C 0.552 177.064 176.600 -0.147 0.000 1.052 450 K CA 0.453 56.694 56.287 -0.076 0.000 0.956 450 K CB 0.167 32.631 32.500 -0.060 0.000 0.735 450 K HN 0.118 nan 8.250 nan 0.000 0.451 451 K N 1.426 121.690 120.400 -0.226 0.000 2.349 451 K HA 0.194 4.513 4.320 -0.002 0.000 0.288 451 K C 0.781 177.224 176.600 -0.262 0.000 1.058 451 K CA 0.154 56.201 56.287 -0.401 0.000 0.953 451 K CB 1.491 33.508 32.500 -0.805 0.000 0.997 451 K HN 0.127 nan 8.250 nan 0.000 0.477 452 A N 4.353 127.038 122.820 -0.226 0.000 1.933 452 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 452 A C 1.947 179.484 177.584 -0.079 0.000 1.175 452 A CA 1.201 53.166 52.037 -0.120 0.000 0.628 452 A CB -0.351 18.589 19.000 -0.100 0.000 0.814 452 A HN 0.722 nan 8.150 nan 0.000 0.444 453 L N -0.459 120.689 121.223 -0.126 0.000 2.275 453 L HA -0.124 4.215 4.340 -0.002 0.000 0.215 453 L C 2.244 179.205 176.870 0.152 0.000 1.119 453 L CA 0.622 55.479 54.840 0.030 0.000 0.790 453 L CB -0.251 41.847 42.059 0.065 0.000 0.919 453 L HN 0.279 nan 8.230 nan 0.000 0.443 454 V N -0.645 119.316 119.914 0.078 0.000 2.535 454 V HA -0.142 3.977 4.120 -0.002 0.000 0.246 454 V C 2.472 178.617 176.094 0.084 0.000 1.045 454 V CA 1.161 63.540 62.300 0.132 0.000 1.058 454 V CB -0.448 31.446 31.823 0.119 0.000 0.689 454 V HN 0.413 nan 8.190 nan 0.000 0.461 455 R N 0.999 121.523 120.500 0.041 0.000 2.081 455 R HA -0.149 4.190 4.340 -0.002 0.000 0.235 455 R C 2.644 178.990 176.300 0.076 0.000 1.131 455 R CA 1.778 57.903 56.100 0.042 0.000 0.960 455 R CB -0.667 29.644 30.300 0.017 0.000 0.856 455 R HN 0.662 nan 8.270 nan 0.000 0.436 456 S N 1.305 117.056 115.700 0.084 0.000 2.355 456 S HA -0.081 4.388 4.470 -0.002 0.000 0.222 456 S C 2.100 176.797 174.600 0.161 0.000 1.031 456 S CA 0.978 59.242 58.200 0.107 0.000 0.993 456 S CB -0.196 63.056 63.200 0.087 0.000 0.859 456 S HN 0.148 nan 8.310 nan 0.000 0.453 457 I N 2.266 122.942 120.570 0.175 0.000 2.493 457 I HA -0.060 4.109 4.170 -0.002 0.000 0.254 457 I C 2.393 178.669 176.117 0.264 0.000 1.160 457 I CA 1.204 62.647 61.300 0.238 0.000 1.445 457 I CB -2.467 35.650 38.000 0.195 0.000 1.086 457 I HN 0.349 nan 8.210 nan 0.000 0.433 458 T N 0.800 115.456 114.554 0.170 0.000 2.821 458 T HA -0.136 4.212 4.350 -0.002 0.000 0.267 458 T C 2.203 176.982 174.700 0.132 0.000 1.046 458 T CA 1.442 63.616 62.100 0.124 0.000 1.139 458 T CB -0.456 68.451 68.868 0.064 0.000 0.871 458 T HN 0.349 nan 8.240 nan 0.000 0.454 459 C N 0.192 119.581 119.300 0.149 0.000 2.413 459 C HA -0.104 4.355 4.460 -0.002 0.000 0.276 459 C C 2.413 177.510 174.990 0.179 0.000 1.236 459 C CA 0.099 59.208 59.018 0.151 0.000 1.735 459 C CB -1.278 26.554 27.740 0.154 0.000 2.031 459 C HN 0.791 nan 8.230 nan 0.000 0.474 460 W N 1.561 122.892 121.300 0.053 0.000 2.353 460 W HA -0.151 4.508 4.660 -0.002 0.000 0.319 460 W C 2.485 179.028 176.519 0.041 0.000 1.207 460 W CA 2.350 59.719 57.345 0.041 0.000 1.291 460 W CB -0.928 28.551 29.460 0.032 0.000 1.159 460 W HN 0.185 nan 8.180 nan 0.000 0.478 461 T N 1.845 116.409 114.554 0.016 0.000 2.699 461 T HA -0.272 4.077 4.350 -0.002 0.000 0.268 461 T C 1.928 176.557 174.700 -0.119 0.000 1.036 461 T CA 2.051 64.037 62.100 -0.190 0.000 1.147 461 T CB -0.708 68.217 68.868 0.095 0.000 0.862 461 T HN 0.149 nan 8.240 nan 0.000 0.446 462 L N 1.367 122.591 121.223 0.002 0.000 2.012 462 L HA -0.163 4.176 4.340 -0.002 0.000 0.210 462 L C 2.926 179.792 176.870 -0.008 0.000 1.073 462 L CA 1.677 56.552 54.840 0.059 0.000 0.748 462 L CB -0.752 41.351 42.059 0.073 0.000 0.891 462 L HN 0.389 nan 8.230 nan 0.000 0.431 463 S N -0.365 115.278 115.700 -0.095 0.000 2.420 463 S HA -0.207 4.262 4.470 -0.002 0.000 0.237 463 S C 2.050 176.502 174.600 -0.245 0.000 1.023 463 S CA 0.874 58.994 58.200 -0.133 0.000 0.991 463 S CB -0.385 62.743 63.200 -0.119 0.000 0.792 463 S HN 0.331 nan 8.310 nan 0.000 0.488 464 R N -0.372 119.853 120.500 -0.458 0.000 2.280 464 R HA 0.112 4.450 4.340 -0.002 0.000 0.207 464 R C 0.503 176.419 176.300 -0.639 0.000 1.043 464 R CA 0.753 56.474 56.100 -0.633 0.000 1.006 464 R CB -0.385 29.326 30.300 -0.982 0.000 0.885 464 R HN 0.671 nan 8.270 nan 0.000 0.467 465 Y N -1.133 119.097 120.300 -0.118 0.000 2.531 465 Y HA 0.265 4.814 4.550 -0.002 0.000 0.249 465 Y C 1.905 177.848 175.900 0.070 0.000 1.168 465 Y CA -0.027 58.065 58.100 -0.012 0.000 1.226 465 Y CB 0.272 38.716 38.460 -0.026 0.000 1.177 465 Y HN -0.034 nan 8.280 nan 0.000 0.527 466 A N 0.296 123.179 122.820 0.105 0.000 1.940 466 A HA -0.378 3.941 4.320 -0.002 0.000 0.221 466 A C 1.872 179.523 177.584 0.112 0.000 1.190 466 A CA 2.699 54.785 52.037 0.081 0.000 0.647 466 A CB -0.920 18.086 19.000 0.010 0.000 0.821 466 A HN 0.646 nan 8.150 nan 0.000 0.457 467 H N -2.660 116.445 119.070 0.058 0.000 2.353 467 H HA -0.196 4.359 4.556 -0.002 0.000 0.300 467 H C 1.735 177.123 175.328 0.100 0.000 1.090 467 H CA 2.178 58.259 56.048 0.055 0.000 1.327 467 H CB -0.428 29.361 29.762 0.046 0.000 1.383 467 H HN 0.701 nan 8.280 nan 0.000 0.508 468 W N 0.270 121.542 121.300 -0.047 0.000 2.388 468 W HA -0.138 4.521 4.660 -0.002 0.000 0.294 468 W C 2.068 178.504 176.519 -0.139 0.000 1.212 468 W CA 1.749 59.027 57.345 -0.112 0.000 1.271 468 W CB -0.492 28.955 29.460 -0.021 0.000 1.126 468 W HN 0.048 nan 8.180 nan 0.000 0.535 469 V N 1.064 120.971 119.914 -0.011 0.000 2.343 469 V HA -0.316 3.803 4.120 -0.002 0.000 0.247 469 V C 2.281 178.237 176.094 -0.230 0.000 1.051 469 V CA 2.272 64.480 62.300 -0.153 0.000 1.036 469 V CB -1.263 30.596 31.823 0.059 0.000 0.654 469 V HN 0.277 nan 8.190 nan 0.000 0.451 470 V N -0.766 119.032 119.914 -0.193 0.000 2.719 470 V HA -0.081 4.038 4.120 -0.002 0.000 0.252 470 V C 2.393 178.334 176.094 -0.255 0.000 1.065 470 V CA 1.698 63.891 62.300 -0.179 0.000 1.086 470 V CB -0.841 30.907 31.823 -0.126 0.000 0.700 470 V HN 0.622 nan 8.190 nan 0.000 0.467 471 S N -0.750 114.716 115.700 -0.391 0.000 2.507 471 S HA -0.032 4.437 4.470 -0.002 0.000 0.235 471 S C 1.091 175.464 174.600 -0.378 0.000 0.988 471 S CA 0.249 58.217 58.200 -0.388 0.000 0.944 471 S CB -0.571 62.361 63.200 -0.448 0.000 0.762 471 S HN 0.686 nan 8.310 nan 0.000 0.526 472 Q N 1.874 121.403 119.800 -0.452 0.000 2.260 472 Q HA 0.451 4.790 4.340 -0.002 0.000 0.238 472 Q C -2.724 173.180 176.000 -0.160 0.000 0.948 472 Q CA -2.750 52.858 55.803 -0.324 0.000 0.895 472 Q CB -0.351 28.194 28.738 -0.322 0.000 1.218 472 Q HN 0.106 nan 8.270 nan 0.000 0.470 473 P HA -0.092 nan 4.420 nan 0.000 0.249 473 P C -1.801 175.455 177.300 -0.074 0.000 1.140 473 P CA -0.320 62.730 63.100 -0.082 0.000 0.803 473 P CB -0.128 31.525 31.700 -0.078 0.000 0.745 474 P HA -0.257 nan 4.420 nan 0.000 0.219 474 P C 1.010 178.301 177.300 -0.016 0.000 1.158 474 P CA 1.588 64.682 63.100 -0.010 0.000 0.895 474 P CB -0.005 31.709 31.700 0.023 0.000 0.792 475 D N -1.957 118.422 120.400 -0.034 0.000 2.218 475 D HA -0.100 4.539 4.640 -0.002 0.000 0.204 475 D C 1.774 177.997 176.300 -0.127 0.000 0.976 475 D CA 1.320 55.289 54.000 -0.052 0.000 0.853 475 D CB -0.684 40.088 40.800 -0.047 0.000 0.939 475 D HN 0.237 nan 8.370 nan 0.000 0.481 476 T N -1.127 113.296 114.554 -0.219 0.000 2.770 476 T HA -0.074 4.275 4.350 -0.002 0.000 0.258 476 T C 1.478 175.823 174.700 -0.591 0.000 1.039 476 T CA 1.069 62.880 62.100 -0.482 0.000 1.143 476 T CB -0.239 68.195 68.868 -0.724 0.000 0.866 476 T HN 0.250 nan 8.240 nan 0.000 0.428 477 Y N -0.538 119.739 120.300 -0.039 0.000 2.673 477 Y HA 0.405 4.953 4.550 -0.002 0.000 0.278 477 Y C 1.948 177.834 175.900 -0.023 0.000 1.127 477 Y CA -0.653 57.440 58.100 -0.012 0.000 1.261 477 Y CB -0.493 37.965 38.460 -0.004 0.000 1.412 477 Y HN -0.024 nan 8.280 nan 0.000 0.496 478 L N 1.627 122.910 121.223 0.099 0.000 1.970 478 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 478 L C 2.352 179.207 176.870 -0.024 0.000 1.071 478 L CA 2.215 57.075 54.840 0.032 0.000 0.751 478 L CB -0.789 41.280 42.059 0.016 0.000 0.889 478 L HN 0.152 nan 8.230 nan 0.000 0.432 479 K N -0.019 120.344 120.400 -0.061 0.000 2.015 479 K HA -0.170 4.149 4.320 -0.002 0.000 0.216 479 K C -0.569 175.950 176.600 -0.135 0.000 1.052 479 K CA 2.554 58.733 56.287 -0.180 0.000 0.937 479 K CB -1.639 30.795 32.500 -0.110 0.000 0.719 479 K HN 0.324 nan 8.250 nan 0.000 0.446 480 P HA -0.090 nan 4.420 nan 0.000 0.217 480 P C 1.346 178.655 177.300 0.015 0.000 1.151 480 P CA 0.793 63.881 63.100 -0.020 0.000 0.828 480 P CB -0.076 31.624 31.700 0.000 0.000 0.788 481 L N -0.829 120.420 121.223 0.044 0.000 1.970 481 L HA -0.126 4.213 4.340 -0.002 0.000 0.212 481 L C 2.373 179.293 176.870 0.083 0.000 1.071 481 L CA 2.038 56.922 54.840 0.074 0.000 0.751 481 L CB -1.432 40.682 42.059 0.092 0.000 0.889 481 L HN -0.134 nan 8.230 nan 0.000 0.432 482 M N -1.200 118.437 119.600 0.062 0.000 2.149 482 M HA -0.246 4.233 4.480 -0.002 0.000 0.261 482 M C 2.001 178.377 176.300 0.127 0.000 1.064 482 M CA 2.361 57.753 55.300 0.153 0.000 1.102 482 M CB -0.341 32.280 32.600 0.035 0.000 1.369 482 M HN 0.443 nan 8.290 nan 0.000 0.408 483 T N 0.408 114.967 114.554 0.009 0.000 2.708 483 T HA -0.136 4.213 4.350 -0.002 0.000 0.266 483 T C 1.636 176.348 174.700 0.020 0.000 1.037 483 T CA 1.388 63.489 62.100 0.001 0.000 1.146 483 T CB -0.218 68.636 68.868 -0.023 0.000 0.865 483 T HN 0.408 nan 8.240 nan 0.000 0.435 484 E N 0.584 120.804 120.200 0.034 0.000 2.152 484 E HA 0.028 4.376 4.350 -0.002 0.000 0.192 484 E C 2.168 178.796 176.600 0.047 0.000 0.983 484 E CA 0.407 56.827 56.400 0.034 0.000 0.818 484 E CB -0.320 29.404 29.700 0.040 0.000 0.758 484 E HN 0.255 nan 8.360 nan 0.000 0.467 485 L N 0.756 122.034 121.223 0.093 0.000 2.056 485 L HA -0.108 4.231 4.340 -0.002 0.000 0.207 485 L C 2.319 179.201 176.870 0.021 0.000 1.078 485 L CA 1.203 56.121 54.840 0.129 0.000 0.749 485 L CB -0.724 41.519 42.059 0.306 0.000 0.901 485 L HN 0.101 nan 8.230 nan 0.000 0.433 486 L N -1.035 120.156 121.223 -0.054 0.000 2.042 486 L HA -0.280 4.059 4.340 -0.002 0.000 0.210 486 L C 2.520 179.323 176.870 -0.112 0.000 1.076 486 L CA 1.396 56.122 54.840 -0.190 0.000 0.749 486 L CB -0.523 41.430 42.059 -0.177 0.000 0.893 486 L HN 0.248 nan 8.230 nan 0.000 0.432 487 K N -0.490 119.875 120.400 -0.058 0.000 2.026 487 K HA -0.198 4.121 4.320 -0.002 0.000 0.208 487 K C 2.264 178.848 176.600 -0.027 0.000 1.048 487 K CA 1.167 57.426 56.287 -0.046 0.000 0.929 487 K CB -0.162 32.321 32.500 -0.029 0.000 0.713 487 K HN 0.013 nan 8.250 nan 0.000 0.439 488 R N 1.287 121.784 120.500 -0.005 0.000 2.103 488 R HA -0.088 4.251 4.340 -0.002 0.000 0.242 488 R C 2.063 178.380 176.300 0.027 0.000 1.142 488 R CA 1.296 57.408 56.100 0.019 0.000 0.960 488 R CB -0.785 29.540 30.300 0.042 0.000 0.858 488 R HN 0.233 nan 8.270 nan 0.000 0.439 489 I N -0.141 120.432 120.570 0.005 0.000 2.143 489 I HA -0.306 3.863 4.170 -0.002 0.000 0.245 489 I C 1.109 177.235 176.117 0.015 0.000 1.068 489 I CA 1.080 62.396 61.300 0.027 0.000 1.326 489 I CB -0.275 37.679 38.000 -0.077 0.000 1.028 489 I HN 0.082 nan 8.210 nan 0.000 0.412 490 L N 0.612 121.812 121.223 -0.038 0.000 2.660 490 L HA 0.089 4.428 4.340 -0.002 0.000 0.238 490 L C 0.805 177.680 176.870 0.008 0.000 1.161 490 L CA 0.553 55.375 54.840 -0.030 0.000 0.937 490 L CB -1.665 40.386 42.059 -0.014 0.000 1.122 490 L HN 0.175 nan 8.230 nan 0.000 0.435 491 D N -0.677 119.739 120.400 0.026 0.000 2.443 491 D HA -0.098 4.540 4.640 -0.002 0.000 0.234 491 D C 1.202 177.521 176.300 0.032 0.000 1.172 491 D CA 0.690 54.705 54.000 0.026 0.000 0.878 491 D CB 1.250 42.070 40.800 0.032 0.000 1.204 491 D HN 0.286 nan 8.370 nan 0.000 0.453 492 S N 1.939 117.649 115.700 0.017 0.000 2.562 492 S HA -0.087 4.382 4.470 -0.002 0.000 0.221 492 S C 0.740 175.350 174.600 0.017 0.000 0.975 492 S CA -0.299 57.911 58.200 0.017 0.000 0.918 492 S CB 0.048 63.252 63.200 0.005 0.000 0.772 492 S HN 0.511 nan 8.310 nan 0.000 0.531 493 N N 1.442 120.151 118.700 0.015 0.000 2.425 493 N HA 0.244 4.983 4.740 -0.002 0.000 0.268 493 N C 0.385 175.907 175.510 0.021 0.000 0.991 493 N CA -0.322 52.732 53.050 0.006 0.000 0.931 493 N CB 1.254 39.732 38.487 -0.014 0.000 1.130 493 N HN 0.122 nan 8.380 nan 0.000 0.493 494 K N 2.514 122.923 120.400 0.016 0.000 2.074 494 K HA -0.201 4.118 4.320 -0.002 0.000 0.209 494 K C 1.681 178.278 176.600 -0.005 0.000 1.048 494 K CA 1.475 57.770 56.287 0.014 0.000 0.926 494 K CB 0.103 32.603 32.500 -0.000 0.000 0.713 494 K HN 0.466 nan 8.250 nan 0.000 0.444 495 R N 0.793 121.289 120.500 -0.007 0.000 2.081 495 R HA -0.118 4.221 4.340 -0.002 0.000 0.235 495 R C 2.042 178.348 176.300 0.011 0.000 1.131 495 R CA 1.175 57.271 56.100 -0.006 0.000 0.960 495 R CB -0.260 30.036 30.300 -0.007 0.000 0.856 495 R HN -0.018 nan 8.270 nan 0.000 0.436 496 V N 0.839 120.765 119.914 0.020 0.000 2.427 496 V HA -0.251 3.868 4.120 -0.002 0.000 0.248 496 V C 2.193 178.319 176.094 0.055 0.000 1.051 496 V CA 1.909 64.233 62.300 0.039 0.000 1.048 496 V CB -0.555 31.287 31.823 0.032 0.000 0.666 496 V HN 0.442 nan 8.190 nan 0.000 0.456 497 Q N -0.018 119.820 119.800 0.065 0.000 2.061 497 Q HA -0.292 4.047 4.340 -0.002 0.000 0.204 497 Q C 2.338 178.345 176.000 0.011 0.000 0.984 497 Q CA 2.089 57.961 55.803 0.116 0.000 0.846 497 Q CB -0.301 28.578 28.738 0.235 0.000 0.902 497 Q HN 0.739 nan 8.270 nan 0.000 0.421 498 E N 0.617 120.777 120.200 -0.066 0.000 2.033 498 E HA -0.269 4.079 4.350 -0.002 0.000 0.199 498 E C 2.011 178.608 176.600 -0.004 0.000 1.011 498 E CA 1.236 57.581 56.400 -0.091 0.000 0.815 498 E CB -0.143 29.511 29.700 -0.076 0.000 0.755 498 E HN 0.352 nan 8.360 nan 0.000 0.451 499 A N 1.141 123.985 122.820 0.040 0.000 1.883 499 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 499 A C 2.406 180.065 177.584 0.124 0.000 1.186 499 A CA 2.332 54.428 52.037 0.100 0.000 0.624 499 A CB -0.912 18.156 19.000 0.114 0.000 0.822 499 A HN 0.455 nan 8.150 nan 0.000 0.444 500 A N -1.534 121.351 122.820 0.108 0.000 1.898 500 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 500 A C 2.387 180.062 177.584 0.152 0.000 1.181 500 A CA 1.587 53.700 52.037 0.127 0.000 0.620 500 A CB -1.339 17.721 19.000 0.100 0.000 0.819 500 A HN 0.691 nan 8.150 nan 0.000 0.442 501 C N -0.453 118.919 119.300 0.121 0.000 2.429 501 C HA -0.052 4.407 4.460 -0.002 0.000 0.277 501 C C 3.197 178.276 174.990 0.148 0.000 1.262 501 C CA 1.588 60.682 59.018 0.128 0.000 1.733 501 C CB -1.251 26.530 27.740 0.068 0.000 2.010 501 C HN 0.593 nan 8.230 nan 0.000 0.483 502 S N 0.839 116.604 115.700 0.108 0.000 2.368 502 S HA -0.105 4.363 4.470 -0.002 0.000 0.225 502 S C 2.167 176.850 174.600 0.138 0.000 1.030 502 S CA 1.388 59.656 58.200 0.113 0.000 0.999 502 S CB -0.573 62.695 63.200 0.113 0.000 0.844 502 S HN 0.805 nan 8.310 nan 0.000 0.459 503 A N 0.876 123.791 122.820 0.159 0.000 1.902 503 A HA -0.073 4.246 4.320 -0.002 0.000 0.217 503 A C 1.921 179.584 177.584 0.131 0.000 1.181 503 A CA 1.383 53.501 52.037 0.134 0.000 0.623 503 A CB -0.859 18.229 19.000 0.146 0.000 0.818 503 A HN 0.468 nan 8.150 nan 0.000 0.443 504 F N 0.604 120.580 119.950 0.044 0.000 2.146 504 F HA -0.012 4.514 4.527 -0.002 0.000 0.298 504 F C 2.618 178.438 175.800 0.035 0.000 1.096 504 F CA 0.979 59.001 58.000 0.037 0.000 1.275 504 F CB -0.371 38.653 39.000 0.039 0.000 1.008 504 F HN 0.265 nan 8.300 nan 0.000 0.480 505 A N -0.523 122.420 122.820 0.205 0.000 1.892 505 A HA -0.268 4.051 4.320 -0.002 0.000 0.218 505 A C 2.213 179.804 177.584 0.012 0.000 1.188 505 A CA 2.623 54.723 52.037 0.104 0.000 0.631 505 A CB -1.497 17.568 19.000 0.108 0.000 0.822 505 A HN 0.413 nan 8.150 nan 0.000 0.447 506 T N -0.219 114.342 114.554 0.011 0.000 2.746 506 T HA -0.133 4.216 4.350 -0.002 0.000 0.267 506 T C 1.822 176.478 174.700 -0.073 0.000 1.039 506 T CA 1.508 63.596 62.100 -0.020 0.000 1.142 506 T CB -0.360 68.502 68.868 -0.011 0.000 0.866 506 T HN 0.302 nan 8.240 nan 0.000 0.444 507 L N 1.381 122.520 121.223 -0.140 0.000 2.083 507 L HA -0.049 4.290 4.340 -0.002 0.000 0.209 507 L C 2.254 178.977 176.870 -0.246 0.000 1.083 507 L CA 1.775 56.486 54.840 -0.215 0.000 0.752 507 L CB -0.615 41.241 42.059 -0.339 0.000 0.899 507 L HN 0.281 nan 8.230 nan 0.000 0.433 508 E N -0.692 119.328 120.200 -0.300 0.000 2.110 508 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 508 E C 2.021 178.564 176.600 -0.095 0.000 0.988 508 E CA 1.350 57.627 56.400 -0.204 0.000 0.804 508 E CB -0.133 29.483 29.700 -0.140 0.000 0.745 508 E HN 0.600 nan 8.360 nan 0.000 0.458 509 E N 0.563 120.724 120.200 -0.065 0.000 2.110 509 E HA -0.190 4.158 4.350 -0.002 0.000 0.193 509 E C 1.943 178.529 176.600 -0.024 0.000 0.988 509 E CA 0.773 57.154 56.400 -0.032 0.000 0.804 509 E CB 0.066 29.755 29.700 -0.019 0.000 0.745 509 E HN 0.244 nan 8.360 nan 0.000 0.458 510 E N 0.054 120.236 120.200 -0.029 0.000 2.170 510 E HA -0.045 4.304 4.350 -0.002 0.000 0.191 510 E C 1.879 178.466 176.600 -0.022 0.000 0.981 510 E CA 0.697 57.098 56.400 0.003 0.000 0.830 510 E CB 0.072 29.784 29.700 0.019 0.000 0.775 510 E HN 0.183 nan 8.360 nan 0.000 0.470 511 A N 0.654 123.439 122.820 -0.058 0.000 1.975 511 A HA -0.000 4.319 4.320 -0.002 0.000 0.215 511 A C 1.662 179.216 177.584 -0.051 0.000 1.170 511 A CA 0.781 52.781 52.037 -0.062 0.000 0.656 511 A CB -0.407 18.544 19.000 -0.082 0.000 0.821 511 A HN 0.316 nan 8.150 nan 0.000 0.449 512 C N -1.954 117.318 119.300 -0.048 0.000 0.194 512 C HA -0.312 4.147 4.460 -0.002 0.000 0.018 512 C C 2.509 177.467 174.990 -0.053 0.000 0.176 512 C CA 2.163 61.157 59.018 -0.040 0.000 0.500 512 C CB -1.979 25.742 27.740 -0.030 0.000 3.212 512 C HN 0.887 nan 8.230 nan 0.000 1.118 513 T N -0.010 114.507 114.554 -0.062 0.000 3.077 513 T HA -0.098 4.251 4.350 -0.002 0.000 0.269 513 T C 0.872 175.487 174.700 -0.142 0.000 1.146 513 T CA 1.946 63.976 62.100 -0.116 0.000 1.091 513 T CB -0.576 68.232 68.868 -0.100 0.000 0.892 513 T HN 0.827 nan 8.240 nan 0.000 0.533 514 E N 0.511 120.656 120.200 -0.092 0.000 2.511 514 E HA 0.139 4.488 4.350 -0.002 0.000 0.196 514 E C 1.476 178.048 176.600 -0.047 0.000 1.066 514 E CA 0.229 56.582 56.400 -0.079 0.000 0.871 514 E CB -0.204 29.472 29.700 -0.040 0.000 0.863 514 E HN 0.565 nan 8.360 nan 0.000 0.520 515 L N -0.489 120.707 121.223 -0.045 0.000 2.463 515 L HA -0.022 4.317 4.340 -0.002 0.000 0.219 515 L C 2.140 178.959 176.870 -0.085 0.000 1.088 515 L CA 0.007 54.870 54.840 0.040 0.000 0.849 515 L CB 0.003 42.090 42.059 0.047 0.000 1.012 515 L HN -0.023 nan 8.230 nan 0.000 0.468 516 V N 1.134 120.937 119.914 -0.186 0.000 2.277 516 V HA -0.255 3.863 4.120 -0.002 0.000 0.253 516 V C -0.128 175.817 176.094 -0.249 0.000 1.067 516 V CA 2.368 64.523 62.300 -0.241 0.000 1.047 516 V CB -1.613 29.944 31.823 -0.444 0.000 0.649 516 V HN 0.380 nan 8.190 nan 0.000 0.447 517 P HA -0.127 nan 4.420 nan 0.000 0.223 517 P C 0.862 177.826 177.300 -0.559 0.000 1.144 517 P CA 1.468 64.241 63.100 -0.546 0.000 0.783 517 P CB -0.127 31.074 31.700 -0.831 0.000 0.771 518 Y N -2.606 117.629 120.300 -0.108 0.000 2.467 518 Y HA 0.231 4.780 4.550 -0.002 0.000 0.250 518 Y C 2.022 177.909 175.900 -0.022 0.000 1.155 518 Y CA -0.561 57.462 58.100 -0.128 0.000 1.249 518 Y CB -0.455 37.967 38.460 -0.063 0.000 1.146 518 Y HN -0.212 nan 8.280 nan 0.000 0.524 519 L N 0.428 121.679 121.223 0.047 0.000 2.030 519 L HA -0.399 3.940 4.340 -0.002 0.000 0.222 519 L C 2.669 179.521 176.870 -0.029 0.000 1.082 519 L CA 1.761 56.566 54.840 -0.058 0.000 0.785 519 L CB -0.525 41.390 42.059 -0.240 0.000 0.895 519 L HN 0.416 nan 8.230 nan 0.000 0.439 520 A N -1.424 121.493 122.820 0.162 0.000 1.933 520 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 520 A C 1.985 179.788 177.584 0.365 0.000 1.175 520 A CA 1.622 53.868 52.037 0.347 0.000 0.628 520 A CB -0.746 18.548 19.000 0.491 0.000 0.814 520 A HN 0.420 nan 8.150 nan 0.000 0.444 521 Y N -0.167 120.194 120.300 0.102 0.000 2.220 521 Y HA -0.042 4.507 4.550 -0.002 0.000 0.291 521 Y C 2.210 178.125 175.900 0.025 0.000 1.129 521 Y CA 0.413 58.554 58.100 0.069 0.000 1.161 521 Y CB -0.709 37.807 38.460 0.094 0.000 0.997 521 Y HN 0.237 nan 8.280 nan 0.000 0.522 522 I N -0.651 120.052 120.570 0.220 0.000 2.113 522 I HA -0.334 3.835 4.170 -0.002 0.000 0.238 522 I C 2.282 178.417 176.117 0.030 0.000 1.070 522 I CA 1.352 62.709 61.300 0.096 0.000 1.332 522 I CB -0.809 37.297 38.000 0.177 0.000 1.044 522 I HN 0.101 nan 8.210 nan 0.000 0.402 523 L N 0.395 121.644 121.223 0.043 0.000 2.013 523 L HA -0.305 4.034 4.340 -0.002 0.000 0.212 523 L C 2.342 179.250 176.870 0.063 0.000 1.073 523 L CA 1.446 56.310 54.840 0.040 0.000 0.753 523 L CB -0.798 41.269 42.059 0.014 0.000 0.890 523 L HN 0.332 nan 8.230 nan 0.000 0.432 524 D N -0.448 119.990 120.400 0.064 0.000 2.160 524 D HA -0.243 4.396 4.640 -0.002 0.000 0.189 524 D C 2.174 178.489 176.300 0.026 0.000 1.003 524 D CA 2.511 56.534 54.000 0.038 0.000 0.846 524 D CB -0.278 40.504 40.800 -0.028 0.000 0.949 524 D HN 0.461 nan 8.370 nan 0.000 0.446 525 T N -0.883 113.653 114.554 -0.030 0.000 2.857 525 T HA -0.033 4.316 4.350 -0.002 0.000 0.266 525 T C 2.438 177.106 174.700 -0.052 0.000 1.048 525 T CA 0.456 62.525 62.100 -0.053 0.000 1.139 525 T CB -0.497 68.294 68.868 -0.128 0.000 0.874 525 T HN 0.087 nan 8.240 nan 0.000 0.455 526 L N 1.688 122.863 121.223 -0.079 0.000 1.994 526 L HA -0.053 4.285 4.340 -0.002 0.000 0.208 526 L C 3.084 179.890 176.870 -0.107 0.000 1.071 526 L CA 1.879 56.647 54.840 -0.120 0.000 0.745 526 L CB -0.893 41.125 42.059 -0.067 0.000 0.892 526 L HN 0.357 nan 8.230 nan 0.000 0.431 527 V N -3.855 116.109 119.914 0.084 0.000 2.759 527 V HA -0.257 3.862 4.120 -0.002 0.000 0.256 527 V C 2.220 178.471 176.094 0.262 0.000 1.080 527 V CA 1.289 63.765 62.300 0.293 0.000 1.101 527 V CB -1.067 30.933 31.823 0.294 0.000 0.698 527 V HN 0.308 nan 8.190 nan 0.000 0.477 528 F N 2.115 122.061 119.950 -0.008 0.000 2.367 528 F HA 0.291 4.816 4.527 -0.002 0.000 0.298 528 F C 2.361 178.085 175.800 -0.126 0.000 1.094 528 F CA 0.869 58.844 58.000 -0.041 0.000 1.409 528 F CB -0.451 38.501 39.000 -0.080 0.000 1.064 528 F HN 0.193 nan 8.300 nan 0.000 0.528 529 A N -0.133 122.521 122.820 -0.277 0.000 2.019 529 A HA -0.158 4.160 4.320 -0.002 0.000 0.219 529 A C 2.091 179.356 177.584 -0.531 0.000 1.164 529 A CA 1.317 52.972 52.037 -0.637 0.000 0.644 529 A CB -1.575 16.910 19.000 -0.858 0.000 0.805 529 A HN 0.467 nan 8.150 nan 0.000 0.449 530 F N 1.141 120.946 119.950 -0.242 0.000 2.154 530 F HA -0.261 4.265 4.527 -0.002 0.000 0.301 530 F C 2.837 178.528 175.800 -0.182 0.000 1.087 530 F CA 1.649 59.565 58.000 -0.140 0.000 1.274 530 F CB -0.082 38.879 39.000 -0.064 0.000 1.009 530 F HN 0.386 nan 8.300 nan 0.000 0.485 531 S N -1.104 114.512 115.700 -0.140 0.000 2.562 531 S HA -0.049 4.420 4.470 -0.002 0.000 0.221 531 S C 1.560 176.007 174.600 -0.255 0.000 0.975 531 S CA 0.503 58.571 58.200 -0.221 0.000 0.918 531 S CB -0.054 62.929 63.200 -0.362 0.000 0.772 531 S HN 0.456 nan 8.310 nan 0.000 0.531 532 K N -0.902 119.319 120.400 -0.298 0.000 2.424 532 K HA 0.231 4.550 4.320 -0.002 0.000 0.198 532 K C -0.718 175.866 176.600 -0.027 0.000 1.190 532 K CA -0.245 55.913 56.287 -0.215 0.000 0.935 532 K CB 0.307 32.616 32.500 -0.318 0.000 1.087 532 K HN 0.247 nan 8.250 nan 0.000 0.524 533 Y N 3.164 123.393 120.300 -0.119 0.000 2.436 533 Y HA -0.028 4.520 4.550 -0.002 0.000 0.336 533 Y C 1.511 177.374 175.900 -0.062 0.000 1.049 533 Y CA -0.754 57.281 58.100 -0.108 0.000 1.294 533 Y CB 0.995 39.349 38.460 -0.178 0.000 1.179 533 Y HN 0.241 nan 8.280 nan 0.000 0.520 534 Q N 3.529 123.402 119.800 0.121 0.000 1.858 534 Q HA -0.179 4.160 4.340 -0.002 0.000 0.224 534 Q C 0.647 176.715 176.000 0.114 0.000 0.980 534 Q CA 2.383 58.236 55.803 0.083 0.000 0.868 534 Q CB -0.239 28.535 28.738 0.059 0.000 0.920 534 Q HN 0.927 nan 8.270 nan 0.000 0.427 535 H N -1.368 117.676 119.070 -0.044 0.000 1.829 535 H HA 0.126 4.680 4.556 -0.002 0.000 0.154 535 H C 1.986 177.261 175.328 -0.089 0.000 0.995 535 H CA 0.348 56.367 56.048 -0.050 0.000 0.966 535 H CB 0.417 30.169 29.762 -0.017 0.000 0.844 535 H HN 0.223 nan 8.280 nan 0.000 0.340 536 K N 0.855 121.173 120.400 -0.136 0.000 2.020 536 K HA -0.167 4.152 4.320 -0.002 0.000 0.212 536 K C 1.483 177.910 176.600 -0.289 0.000 1.050 536 K CA 2.267 58.439 56.287 -0.191 0.000 0.929 536 K CB 0.060 32.516 32.500 -0.073 0.000 0.714 536 K HN 0.177 nan 8.250 nan 0.000 0.443 537 N N 0.932 119.428 118.700 -0.340 0.000 2.188 537 N HA -0.150 4.589 4.740 -0.002 0.000 0.184 537 N C 1.613 176.739 175.510 -0.640 0.000 1.018 537 N CA 0.799 53.500 53.050 -0.582 0.000 0.858 537 N CB -0.370 37.564 38.487 -0.921 0.000 0.989 537 N HN 0.165 nan 8.380 nan 0.000 0.426 538 L N 0.436 121.376 121.223 -0.472 0.000 2.081 538 L HA -0.109 4.230 4.340 -0.002 0.000 0.212 538 L C 1.624 178.130 176.870 -0.608 0.000 1.080 538 L CA 1.390 55.962 54.840 -0.445 0.000 0.754 538 L CB -0.599 41.288 42.059 -0.286 0.000 0.893 538 L HN 0.032 nan 8.230 nan 0.000 0.433 539 L N -0.477 120.483 121.223 -0.439 0.000 2.046 539 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 539 L C 2.418 179.212 176.870 -0.127 0.000 1.077 539 L CA 1.461 56.173 54.840 -0.213 0.000 0.747 539 L CB -0.974 40.965 42.059 -0.200 0.000 0.896 539 L HN 0.261 nan 8.230 nan 0.000 0.432 540 I N -1.183 119.271 120.570 -0.194 0.000 2.286 540 I HA -0.239 3.930 4.170 -0.002 0.000 0.248 540 I C 2.480 178.538 176.117 -0.098 0.000 1.115 540 I CA 0.997 62.224 61.300 -0.122 0.000 1.392 540 I CB -1.367 36.537 38.000 -0.159 0.000 1.065 540 I HN 0.239 nan 8.210 nan 0.000 0.418 541 L N 0.833 121.933 121.223 -0.205 0.000 2.046 541 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 541 L C 2.590 179.423 176.870 -0.061 0.000 1.077 541 L CA 1.785 56.536 54.840 -0.149 0.000 0.747 541 L CB -1.007 40.924 42.059 -0.214 0.000 0.896 541 L HN 0.143 nan 8.230 nan 0.000 0.432 542 Y N -0.435 119.870 120.300 0.008 0.000 2.114 542 Y HA -0.348 4.201 4.550 -0.002 0.000 0.282 542 Y C 2.594 178.529 175.900 0.059 0.000 1.165 542 Y CA 1.136 59.278 58.100 0.070 0.000 1.148 542 Y CB -0.426 38.078 38.460 0.073 0.000 0.972 542 Y HN 0.341 nan 8.280 nan 0.000 0.504 543 D N 0.097 120.616 120.400 0.198 0.000 2.117 543 D HA -0.188 4.451 4.640 -0.002 0.000 0.197 543 D C 2.154 178.525 176.300 0.117 0.000 0.987 543 D CA 1.407 55.486 54.000 0.132 0.000 0.829 543 D CB -0.303 40.552 40.800 0.092 0.000 0.961 543 D HN 0.262 nan 8.370 nan 0.000 0.460 544 A N -0.171 122.716 122.820 0.111 0.000 1.908 544 A HA -0.133 4.185 4.320 -0.002 0.000 0.218 544 A C 2.250 179.919 177.584 0.142 0.000 1.181 544 A CA 1.372 53.492 52.037 0.139 0.000 0.627 544 A CB -0.653 18.430 19.000 0.138 0.000 0.818 544 A HN 0.302 nan 8.150 nan 0.000 0.445 545 I N 0.100 120.751 120.570 0.134 0.000 2.202 545 I HA -0.083 4.086 4.170 -0.002 0.000 0.242 545 I C 2.678 178.873 176.117 0.130 0.000 1.091 545 I CA 1.178 62.565 61.300 0.146 0.000 1.368 545 I CB -1.115 37.009 38.000 0.206 0.000 1.058 545 I HN 0.285 nan 8.210 nan 0.000 0.410 546 G N -0.329 108.550 108.800 0.131 0.000 2.491 546 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.218 546 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.218 546 G C 1.681 176.622 174.900 0.069 0.000 1.180 546 G CA 1.692 46.848 45.100 0.093 0.000 0.774 546 G HN 0.361 nan 8.290 nan 0.000 0.562 547 T N 1.223 115.821 114.554 0.074 0.000 2.720 547 T HA -0.080 4.268 4.350 -0.002 0.000 0.268 547 T C 2.232 176.962 174.700 0.049 0.000 1.037 547 T CA 0.958 63.090 62.100 0.053 0.000 1.144 547 T CB -0.292 68.608 68.868 0.054 0.000 0.864 547 T HN 0.147 nan 8.240 nan 0.000 0.444 548 L N 0.758 122.027 121.223 0.078 0.000 1.963 548 L HA -0.267 4.072 4.340 -0.002 0.000 0.220 548 L C 2.868 179.766 176.870 0.046 0.000 1.076 548 L CA 2.177 57.063 54.840 0.076 0.000 0.772 548 L CB -0.836 41.286 42.059 0.106 0.000 0.892 548 L HN 0.331 nan 8.230 nan 0.000 0.435 549 A N -0.498 122.351 122.820 0.049 0.000 1.892 549 A HA -0.297 4.022 4.320 -0.002 0.000 0.218 549 A C 1.857 179.448 177.584 0.012 0.000 1.188 549 A CA 2.142 54.200 52.037 0.035 0.000 0.631 549 A CB -0.860 18.162 19.000 0.038 0.000 0.822 549 A HN 0.575 nan 8.150 nan 0.000 0.447 550 D N -0.258 120.147 120.400 0.009 0.000 2.158 550 D HA -0.103 4.536 4.640 -0.002 0.000 0.197 550 D C 2.265 178.555 176.300 -0.016 0.000 0.995 550 D CA 1.709 55.703 54.000 -0.010 0.000 0.846 550 D CB -0.213 40.585 40.800 -0.002 0.000 0.941 550 D HN 0.427 nan 8.370 nan 0.000 0.456 551 S N -0.277 115.420 115.700 -0.004 0.000 2.371 551 S HA -0.076 4.393 4.470 -0.002 0.000 0.221 551 S C 2.245 176.844 174.600 -0.002 0.000 1.036 551 S CA 0.933 59.127 58.200 -0.010 0.000 0.965 551 S CB 0.027 63.219 63.200 -0.013 0.000 0.845 551 S HN 0.299 nan 8.310 nan 0.000 0.475 552 V N 0.098 120.021 119.914 0.016 0.000 3.041 552 V HA 0.304 4.423 4.120 -0.002 0.000 0.260 552 V C 1.390 177.550 176.094 0.110 0.000 1.105 552 V CA 0.476 62.809 62.300 0.056 0.000 1.125 552 V CB -1.920 29.936 31.823 0.054 0.000 0.730 552 V HN 0.489 nan 8.190 nan 0.000 0.479 553 G N 1.130 109.933 108.800 0.005 0.000 2.602 553 G HA2 -0.412 3.546 3.960 -0.002 0.000 0.306 553 G HA3 -0.412 3.546 3.960 -0.002 0.000 0.306 553 G C 0.407 175.274 174.900 -0.055 0.000 1.301 553 G CA 1.045 46.071 45.100 -0.124 0.000 0.974 553 G HN 0.698 nan 8.290 nan 0.000 0.547 554 H N -0.035 119.029 119.070 -0.009 0.000 2.541 554 H HA -0.038 4.517 4.556 -0.002 0.000 0.289 554 H C 2.102 177.405 175.328 -0.040 0.000 1.054 554 H CA 0.998 57.019 56.048 -0.046 0.000 1.250 554 H CB -0.124 29.578 29.762 -0.101 0.000 1.369 554 H HN 0.526 nan 8.280 nan 0.000 0.578 555 H N -0.157 118.994 119.070 0.135 0.000 2.560 555 H HA -0.074 4.481 4.556 -0.002 0.000 0.283 555 H C 1.815 177.253 175.328 0.182 0.000 1.028 555 H CA 0.590 56.716 56.048 0.130 0.000 1.221 555 H CB 0.211 30.015 29.762 0.071 0.000 1.363 555 H HN 0.317 nan 8.280 nan 0.000 0.594 556 L N 0.932 122.306 121.223 0.252 0.000 2.509 556 L HA 0.033 4.372 4.340 -0.002 0.000 0.222 556 L C 0.912 177.980 176.870 0.331 0.000 1.123 556 L CA 0.501 55.489 54.840 0.246 0.000 0.856 556 L CB -0.185 41.955 42.059 0.135 0.000 0.985 556 L HN -0.027 nan 8.230 nan 0.000 0.456 557 N N 1.669 120.518 118.700 0.248 0.000 3.103 557 N HA 0.044 4.783 4.740 -0.002 0.000 0.305 557 N C -1.024 174.576 175.510 0.149 0.000 1.232 557 N CA 0.313 53.475 53.050 0.186 0.000 1.190 557 N CB -0.356 38.208 38.487 0.130 0.000 1.461 557 N HN 0.268 nan 8.380 nan 0.000 0.538 558 K N 1.438 121.935 120.400 0.162 0.000 2.541 558 K HA 0.284 4.603 4.320 -0.002 0.000 0.250 558 K C -1.831 174.737 176.600 -0.053 0.000 0.950 558 K CA -1.797 54.482 56.287 -0.013 0.000 0.805 558 K CB 2.409 34.785 32.500 -0.208 0.000 1.166 558 K HN -0.085 nan 8.250 nan 0.000 0.430 559 P HA -0.374 nan 4.420 nan 0.000 0.222 559 P C 1.148 178.448 177.300 -0.000 0.000 1.147 559 P CA 1.742 64.843 63.100 0.001 0.000 0.958 559 P CB 0.220 31.910 31.700 -0.016 0.000 0.788 560 E N -1.448 118.703 120.200 -0.080 0.000 2.268 560 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 560 E C 1.775 178.425 176.600 0.083 0.000 0.995 560 E CA 1.319 57.701 56.400 -0.030 0.000 0.836 560 E CB -1.055 28.607 29.700 -0.065 0.000 0.763 560 E HN 0.289 nan 8.360 nan 0.000 0.491 561 Y N 1.325 121.669 120.300 0.073 0.000 2.163 561 Y HA 0.010 4.559 4.550 -0.002 0.000 0.288 561 Y C 2.581 178.519 175.900 0.063 0.000 1.136 561 Y CA 0.350 58.497 58.100 0.078 0.000 1.147 561 Y CB -0.757 37.755 38.460 0.088 0.000 0.987 561 Y HN -0.043 nan 8.280 nan 0.000 0.509 562 I N 0.003 120.703 120.570 0.217 0.000 2.208 562 I HA -0.340 3.829 4.170 -0.002 0.000 0.245 562 I C 2.285 178.445 176.117 0.072 0.000 1.097 562 I CA 1.264 62.629 61.300 0.108 0.000 1.363 562 I CB -0.424 37.646 38.000 0.117 0.000 1.051 562 I HN 0.214 nan 8.210 nan 0.000 0.413 563 Q N 0.029 119.893 119.800 0.107 0.000 2.181 563 Q HA -0.196 4.142 4.340 -0.002 0.000 0.205 563 Q C 2.185 178.238 176.000 0.089 0.000 0.980 563 Q CA 1.713 57.576 55.803 0.100 0.000 0.862 563 Q CB -0.449 28.340 28.738 0.087 0.000 0.905 563 Q HN 0.592 nan 8.270 nan 0.000 0.429 564 M N -0.661 119.006 119.600 0.112 0.000 2.160 564 M HA -0.094 4.385 4.480 -0.002 0.000 0.264 564 M C 1.974 178.332 176.300 0.097 0.000 1.073 564 M CA 0.895 56.266 55.300 0.118 0.000 1.142 564 M CB -0.088 32.609 32.600 0.161 0.000 1.358 564 M HN 0.163 nan 8.290 nan 0.000 0.422 565 L N -0.036 121.237 121.223 0.083 0.000 2.084 565 L HA -0.014 4.324 4.340 -0.002 0.000 0.202 565 L C 2.205 179.054 176.870 -0.035 0.000 1.074 565 L CA 1.566 56.451 54.840 0.076 0.000 0.757 565 L CB -0.476 41.641 42.059 0.095 0.000 0.918 565 L HN 0.187 nan 8.230 nan 0.000 0.444 566 M N -0.068 119.432 119.600 -0.166 0.000 2.086 566 M HA -0.072 4.407 4.480 -0.002 0.000 0.261 566 M C -0.053 176.118 176.300 -0.216 0.000 1.067 566 M CA 1.647 56.719 55.300 -0.381 0.000 1.116 566 M CB -2.434 29.486 32.600 -1.133 0.000 1.348 566 M HN 0.095 nan 8.290 nan 0.000 0.407 567 P HA -0.158 nan 4.420 nan 0.000 0.214 567 P C -1.258 175.992 177.300 -0.083 0.000 1.169 567 P CA 2.051 65.144 63.100 -0.012 0.000 0.908 567 P CB -1.580 30.133 31.700 0.021 0.000 0.791 568 P HA -0.054 nan 4.420 nan 0.000 0.225 568 P C 1.666 178.676 177.300 -0.483 0.000 1.156 568 P CA 1.129 64.014 63.100 -0.358 0.000 0.787 568 P CB -0.328 31.053 31.700 -0.530 0.000 0.802 569 L N -0.717 120.303 121.223 -0.337 0.000 2.007 569 L HA -0.097 4.242 4.340 -0.002 0.000 0.205 569 L C 2.643 179.511 176.870 -0.003 0.000 1.073 569 L CA 1.063 55.816 54.840 -0.146 0.000 0.744 569 L CB -0.807 41.228 42.059 -0.039 0.000 0.898 569 L HN -0.136 nan 8.230 nan 0.000 0.435 570 I N 0.093 120.657 120.570 -0.011 0.000 2.194 570 I HA -0.321 3.848 4.170 -0.002 0.000 0.246 570 I C 2.657 178.863 176.117 0.148 0.000 1.093 570 I CA 1.454 62.807 61.300 0.088 0.000 1.355 570 I CB -1.005 37.048 38.000 0.088 0.000 1.046 570 I HN 0.498 nan 8.210 nan 0.000 0.413 571 Q N 1.295 121.128 119.800 0.055 0.000 2.077 571 Q HA -0.233 4.106 4.340 -0.002 0.000 0.206 571 Q C 1.926 177.971 176.000 0.074 0.000 0.989 571 Q CA 1.651 57.482 55.803 0.046 0.000 0.853 571 Q CB -0.036 28.694 28.738 -0.015 0.000 0.907 571 Q HN 0.420 nan 8.270 nan 0.000 0.418 572 K N -0.506 119.939 120.400 0.075 0.000 2.296 572 K HA -0.106 4.213 4.320 -0.002 0.000 0.200 572 K C 1.753 178.451 176.600 0.163 0.000 1.048 572 K CA 0.437 56.799 56.287 0.124 0.000 0.966 572 K CB -0.453 32.161 32.500 0.189 0.000 0.754 572 K HN 0.458 nan 8.250 nan 0.000 0.466 573 W N 2.598 123.900 121.300 0.004 0.000 2.402 573 W HA -0.099 4.560 4.660 -0.002 0.000 0.286 573 W C 0.526 177.054 176.519 0.014 0.000 1.221 573 W CA 1.072 58.421 57.345 0.007 0.000 1.257 573 W CB -0.038 29.434 29.460 0.020 0.000 1.120 573 W HN 0.159 nan 8.180 nan 0.000 0.551 574 N N 0.086 118.856 118.700 0.117 0.000 2.398 574 N HA -0.012 4.727 4.740 -0.002 0.000 0.188 574 N C 1.639 177.132 175.510 -0.030 0.000 1.122 574 N CA 0.108 53.172 53.050 0.023 0.000 0.866 574 N CB -0.097 38.449 38.487 0.098 0.000 0.970 574 N HN 0.056 nan 8.380 nan 0.000 0.462 575 M N 0.769 120.355 119.600 -0.023 0.000 2.561 575 M HA 0.152 4.631 4.480 -0.002 0.000 0.238 575 M C -0.115 176.144 176.300 -0.068 0.000 1.131 575 M CA 0.350 55.636 55.300 -0.024 0.000 1.046 575 M CB 0.360 32.971 32.600 0.019 0.000 1.532 575 M HN 0.108 nan 8.290 nan 0.000 0.497 576 L N 0.216 121.349 121.223 -0.150 0.000 2.399 576 L HA 0.349 4.688 4.340 -0.002 0.000 0.265 576 L C -0.185 176.576 176.870 -0.182 0.000 1.089 576 L CA -0.522 54.202 54.840 -0.194 0.000 0.802 576 L CB 1.109 42.959 42.059 -0.347 0.000 1.180 576 L HN -0.126 nan 8.230 nan 0.000 0.454 577 K N 0.010 120.320 120.400 -0.151 0.000 2.281 577 K HA 0.232 4.551 4.320 -0.002 0.000 0.242 577 K C 0.106 176.613 176.600 -0.157 0.000 0.971 577 K CA -0.559 55.647 56.287 -0.135 0.000 0.834 577 K CB 1.204 33.653 32.500 -0.086 0.000 1.181 577 K HN 0.309 nan 8.250 nan 0.000 0.435 578 D N 1.288 121.598 120.400 -0.151 0.000 2.403 578 D HA -0.088 4.550 4.640 -0.002 0.000 0.227 578 D C -0.230 175.967 176.300 -0.172 0.000 0.995 578 D CA 0.989 54.885 54.000 -0.174 0.000 0.928 578 D CB 0.367 41.081 40.800 -0.144 0.000 0.887 578 D HN 0.426 nan 8.370 nan 0.000 0.529 579 E N -0.073 120.060 120.200 -0.111 0.000 2.624 579 E HA 0.092 4.441 4.350 -0.002 0.000 0.210 579 E C -0.183 176.407 176.600 -0.016 0.000 0.997 579 E CA -0.292 56.068 56.400 -0.067 0.000 0.999 579 E CB 0.742 30.417 29.700 -0.042 0.000 1.040 579 E HN 0.021 nan 8.360 nan 0.000 0.469 580 D N 0.986 121.370 120.400 -0.027 0.000 2.256 580 D HA 0.067 4.706 4.640 -0.002 0.000 0.250 580 D C 0.820 177.175 176.300 0.091 0.000 1.093 580 D CA -0.098 53.904 54.000 0.003 0.000 0.882 580 D CB 1.008 41.778 40.800 -0.051 0.000 1.185 580 D HN -0.169 nan 8.370 nan 0.000 0.437 581 K N 2.213 122.672 120.400 0.099 0.000 2.283 581 K HA -0.097 4.222 4.320 -0.002 0.000 0.202 581 K C 0.599 177.015 176.600 -0.307 0.000 1.048 581 K CA 0.769 57.127 56.287 0.119 0.000 0.948 581 K CB 0.189 32.779 32.500 0.151 0.000 0.742 581 K HN 0.400 nan 8.250 nan 0.000 0.458 582 D N 0.893 121.205 120.400 -0.148 0.000 2.340 582 D HA 0.024 4.663 4.640 -0.002 0.000 0.220 582 D C 1.669 177.812 176.300 -0.261 0.000 1.039 582 D CA 0.029 53.928 54.000 -0.169 0.000 0.866 582 D CB 0.055 40.907 40.800 0.087 0.000 0.913 582 D HN 0.042 nan 8.370 nan 0.000 0.523 583 L N 0.167 121.266 121.223 -0.207 0.000 1.955 583 L HA -0.218 4.120 4.340 -0.002 0.000 0.213 583 L C 2.129 179.045 176.870 0.077 0.000 1.072 583 L CA 1.615 56.432 54.840 -0.038 0.000 0.755 583 L CB -0.346 41.760 42.059 0.079 0.000 0.888 583 L HN 0.106 nan 8.230 nan 0.000 0.432 584 F N -0.524 119.516 119.950 0.150 0.000 2.134 584 F HA -0.068 4.458 4.527 -0.002 0.000 0.299 584 F C -0.310 175.568 175.800 0.130 0.000 1.097 584 F CA 0.049 58.180 58.000 0.218 0.000 1.264 584 F CB -2.861 36.346 39.000 0.345 0.000 1.001 584 F HN 0.145 nan 8.300 nan 0.000 0.479 585 P HA -0.145 nan 4.420 nan 0.000 0.217 585 P C 1.929 179.161 177.300 -0.112 0.000 1.151 585 P CA 1.112 64.191 63.100 -0.034 0.000 0.828 585 P CB -0.078 31.595 31.700 -0.044 0.000 0.788 586 L N -0.668 120.387 121.223 -0.280 0.000 2.141 586 L HA -0.054 4.285 4.340 -0.002 0.000 0.209 586 L C 2.508 179.365 176.870 -0.021 0.000 1.094 586 L CA 1.380 55.978 54.840 -0.403 0.000 0.763 586 L CB -1.584 40.239 42.059 -0.394 0.000 0.908 586 L HN -0.170 nan 8.230 nan 0.000 0.437 587 L N -0.746 120.554 121.223 0.128 0.000 1.976 587 L HA -0.227 4.112 4.340 -0.002 0.000 0.209 587 L C 2.516 179.448 176.870 0.103 0.000 1.071 587 L CA 1.657 56.622 54.840 0.208 0.000 0.746 587 L CB -0.554 41.663 42.059 0.264 0.000 0.890 587 L HN 0.304 nan 8.230 nan 0.000 0.432 588 E N -0.914 119.345 120.200 0.098 0.000 2.160 588 E HA -0.278 4.071 4.350 -0.002 0.000 0.195 588 E C 2.250 178.877 176.600 0.045 0.000 0.991 588 E CA 1.437 57.880 56.400 0.072 0.000 0.810 588 E CB -0.315 29.439 29.700 0.090 0.000 0.742 588 E HN 0.593 nan 8.360 nan 0.000 0.466 589 C N 0.604 119.928 119.300 0.039 0.000 2.462 589 C HA -0.106 4.353 4.460 -0.002 0.000 0.278 589 C C 2.538 177.543 174.990 0.026 0.000 1.253 589 C CA 0.461 59.510 59.018 0.052 0.000 1.713 589 C CB -0.875 26.900 27.740 0.058 0.000 2.049 589 C HN 0.325 nan 8.230 nan 0.000 0.477 590 L N 1.181 122.404 121.223 -0.000 0.000 2.131 590 L HA -0.047 4.292 4.340 -0.002 0.000 0.210 590 L C 2.918 179.705 176.870 -0.137 0.000 1.092 590 L CA 2.224 57.037 54.840 -0.045 0.000 0.759 590 L CB -0.867 41.142 42.059 -0.083 0.000 0.903 590 L HN 0.550 nan 8.230 nan 0.000 0.435 591 S N -1.762 113.883 115.700 -0.092 0.000 2.356 591 S HA -0.189 4.280 4.470 -0.002 0.000 0.223 591 S C 2.242 176.771 174.600 -0.119 0.000 1.032 591 S CA 1.696 59.826 58.200 -0.117 0.000 1.005 591 S CB -0.241 62.934 63.200 -0.041 0.000 0.867 591 S HN 0.507 nan 8.310 nan 0.000 0.449 592 S N 0.588 116.253 115.700 -0.058 0.000 2.370 592 S HA -0.080 4.389 4.470 -0.002 0.000 0.226 592 S C 1.865 176.431 174.600 -0.056 0.000 1.033 592 S CA 1.444 59.621 58.200 -0.040 0.000 1.011 592 S CB -0.503 62.698 63.200 0.001 0.000 0.852 592 S HN 0.432 nan 8.310 nan 0.000 0.457 593 V N 1.775 121.650 119.914 -0.065 0.000 2.307 593 V HA -0.170 3.949 4.120 -0.002 0.000 0.245 593 V C 2.612 178.606 176.094 -0.167 0.000 1.045 593 V CA 1.586 63.857 62.300 -0.048 0.000 1.024 593 V CB -1.239 30.599 31.823 0.025 0.000 0.651 593 V HN 0.529 nan 8.190 nan 0.000 0.449 594 A N 0.120 122.654 122.820 -0.476 0.000 1.873 594 A HA -0.290 4.028 4.320 -0.002 0.000 0.218 594 A C 2.411 179.807 177.584 -0.313 0.000 1.193 594 A CA 2.874 54.400 52.037 -0.852 0.000 0.629 594 A CB -1.267 17.097 19.000 -1.060 0.000 0.826 594 A HN 0.506 nan 8.150 nan 0.000 0.447 595 T N 0.398 114.840 114.554 -0.186 0.000 2.665 595 T HA -0.129 4.219 4.350 -0.002 0.000 0.268 595 T C 2.194 176.917 174.700 0.037 0.000 1.035 595 T CA 2.106 64.173 62.100 -0.055 0.000 1.151 595 T CB -0.603 68.238 68.868 -0.046 0.000 0.862 595 T HN 0.659 nan 8.240 nan 0.000 0.438 596 A N 1.159 123.995 122.820 0.026 0.000 1.873 596 A HA 0.078 4.397 4.320 -0.002 0.000 0.215 596 A C 2.296 179.982 177.584 0.170 0.000 1.186 596 A CA 1.083 53.177 52.037 0.095 0.000 0.616 596 A CB -0.849 18.181 19.000 0.050 0.000 0.823 596 A HN 0.478 nan 8.150 nan 0.000 0.442 597 L N -1.752 119.543 121.223 0.120 0.000 2.362 597 L HA -0.173 4.166 4.340 -0.002 0.000 0.219 597 L C 1.588 178.551 176.870 0.155 0.000 1.134 597 L CA 1.067 56.006 54.840 0.166 0.000 0.807 597 L CB -0.524 41.680 42.059 0.241 0.000 0.927 597 L HN 0.649 nan 8.230 nan 0.000 0.447 598 Q N -0.400 119.471 119.800 0.117 0.000 1.802 598 Q HA -0.407 3.932 4.340 -0.002 0.000 0.387 598 Q C 1.660 177.727 176.000 0.112 0.000 0.822 598 Q CA 2.554 58.402 55.803 0.075 0.000 0.840 598 Q CB -1.190 27.544 28.738 -0.006 0.000 3.553 598 Q HN 0.436 nan 8.270 nan 0.000 0.735 599 S N -1.009 114.739 115.700 0.079 0.000 2.399 599 S HA -0.043 4.426 4.470 -0.002 0.000 0.231 599 S C 1.759 176.439 174.600 0.133 0.000 1.022 599 S CA 1.330 59.586 58.200 0.093 0.000 0.983 599 S CB -0.745 62.485 63.200 0.049 0.000 0.803 599 S HN 0.852 nan 8.310 nan 0.000 0.480 600 G N 0.131 109.017 108.800 0.144 0.000 2.527 600 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.219 600 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.219 600 G C 0.953 176.003 174.900 0.251 0.000 1.117 600 G CA 0.430 45.631 45.100 0.168 0.000 0.759 600 G HN 0.536 nan 8.290 nan 0.000 0.556 601 F N 0.607 120.628 119.950 0.118 0.000 2.558 601 F HA 0.262 4.788 4.527 -0.002 0.000 0.298 601 F C 2.258 178.167 175.800 0.183 0.000 1.119 601 F CA -0.041 58.054 58.000 0.159 0.000 1.451 601 F CB -0.009 39.043 39.000 0.087 0.000 1.091 601 F HN 0.028 nan 8.300 nan 0.000 0.563 602 L N 0.848 122.158 121.223 0.145 0.000 2.058 602 L HA -0.283 4.055 4.340 -0.002 0.000 0.226 602 L C -0.503 176.288 176.870 -0.131 0.000 1.089 602 L CA 2.047 56.901 54.840 0.023 0.000 0.799 602 L CB -1.771 40.299 42.059 0.018 0.000 0.900 602 L HN 0.104 nan 8.230 nan 0.000 0.442 603 P HA -0.124 nan 4.420 nan 0.000 0.239 603 P C 0.211 177.073 177.300 -0.731 0.000 1.184 603 P CA 1.305 64.098 63.100 -0.512 0.000 0.760 603 P CB -0.020 31.250 31.700 -0.716 0.000 0.884 604 Y N -2.396 117.646 120.300 -0.430 0.000 2.453 604 Y HA 0.094 4.642 4.550 -0.002 0.000 0.247 604 Y C 2.240 177.828 175.900 -0.520 0.000 1.124 604 Y CA -0.236 57.527 58.100 -0.562 0.000 1.243 604 Y CB -0.794 37.151 38.460 -0.858 0.000 1.213 604 Y HN 0.080 nan 8.280 nan 0.000 0.523 605 C N -1.042 118.112 119.300 -0.244 0.000 2.495 605 C HA 0.048 4.507 4.460 -0.002 0.000 0.275 605 C C 2.012 177.062 174.990 0.101 0.000 1.392 605 C CA 0.085 59.139 59.018 0.059 0.000 1.766 605 C CB -0.645 27.255 27.740 0.267 0.000 1.933 605 C HN 0.453 nan 8.230 nan 0.000 0.519 606 E N 2.663 122.880 120.200 0.029 0.000 2.058 606 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 606 E C -0.305 176.395 176.600 0.168 0.000 0.997 606 E CA 1.929 58.377 56.400 0.079 0.000 0.801 606 E CB -0.976 28.735 29.700 0.019 0.000 0.746 606 E HN 0.584 nan 8.360 nan 0.000 0.450 607 P HA -0.076 nan 4.420 nan 0.000 0.219 607 P C 1.603 179.145 177.300 0.402 0.000 1.150 607 P CA 1.018 64.293 63.100 0.291 0.000 0.814 607 P CB 0.057 31.953 31.700 0.327 0.000 0.787 608 V N -0.639 119.323 119.914 0.080 0.000 2.283 608 V HA -0.244 3.875 4.120 -0.002 0.000 0.243 608 V C 2.661 178.887 176.094 0.220 0.000 1.039 608 V CA 1.628 63.906 62.300 -0.036 0.000 1.016 608 V CB -1.762 29.894 31.823 -0.279 0.000 0.650 608 V HN -0.044 nan 8.190 nan 0.000 0.449 609 Y N 1.065 121.433 120.300 0.114 0.000 2.081 609 Y HA -0.380 4.168 4.550 -0.002 0.000 0.280 609 Y C 2.807 178.787 175.900 0.134 0.000 1.163 609 Y CA 2.539 60.708 58.100 0.115 0.000 1.135 609 Y CB -0.342 38.173 38.460 0.090 0.000 0.970 609 Y HN 0.205 nan 8.280 nan 0.000 0.498 610 Q N 0.311 120.300 119.800 0.314 0.000 2.014 610 Q HA -0.232 4.107 4.340 -0.002 0.000 0.207 610 Q C 2.338 178.407 176.000 0.115 0.000 0.993 610 Q CA 2.471 58.401 55.803 0.212 0.000 0.850 610 Q CB -0.262 28.615 28.738 0.231 0.000 0.916 610 Q HN 0.425 nan 8.270 nan 0.000 0.417 611 R N -1.113 119.518 120.500 0.218 0.000 2.152 611 R HA -0.088 4.251 4.340 -0.002 0.000 0.232 611 R C 2.388 178.756 176.300 0.114 0.000 1.117 611 R CA 1.097 57.304 56.100 0.177 0.000 0.981 611 R CB -0.425 30.049 30.300 0.290 0.000 0.870 611 R HN 0.364 nan 8.270 nan 0.000 0.451 612 C N -0.174 119.185 119.300 0.098 0.000 2.476 612 C HA -0.022 4.437 4.460 -0.002 0.000 0.278 612 C C 2.715 177.668 174.990 -0.062 0.000 1.274 612 C CA 0.319 59.352 59.018 0.025 0.000 1.713 612 C CB -0.470 27.265 27.740 -0.010 0.000 2.039 612 C HN 0.252 nan 8.230 nan 0.000 0.484 613 V N 1.928 121.743 119.914 -0.165 0.000 2.407 613 V HA -0.202 3.917 4.120 -0.002 0.000 0.248 613 V C 2.114 178.177 176.094 -0.052 0.000 1.055 613 V CA 2.106 64.317 62.300 -0.147 0.000 1.049 613 V CB -0.923 30.773 31.823 -0.212 0.000 0.662 613 V HN 0.486 nan 8.190 nan 0.000 0.455 614 N N 0.444 119.129 118.700 -0.026 0.000 2.036 614 N HA -0.150 4.589 4.740 -0.002 0.000 0.195 614 N C 1.761 177.262 175.510 -0.015 0.000 1.037 614 N CA 1.469 54.513 53.050 -0.010 0.000 0.855 614 N CB -0.549 37.936 38.487 -0.003 0.000 1.033 614 N HN 0.369 nan 8.380 nan 0.000 0.423 615 L N 0.118 121.335 121.223 -0.011 0.000 2.079 615 L HA -0.139 4.200 4.340 -0.002 0.000 0.210 615 L C 1.931 178.807 176.870 0.010 0.000 1.081 615 L CA 0.842 55.678 54.840 -0.007 0.000 0.752 615 L CB -0.265 41.804 42.059 0.017 0.000 0.896 615 L HN 0.062 nan 8.230 nan 0.000 0.433 616 V N -0.668 119.249 119.914 0.004 0.000 2.358 616 V HA -0.300 3.818 4.120 -0.002 0.000 0.246 616 V C 2.335 178.430 176.094 0.001 0.000 1.047 616 V CA 1.760 64.062 62.300 0.004 0.000 1.035 616 V CB -0.406 31.411 31.823 -0.010 0.000 0.658 616 V HN 0.445 nan 8.190 nan 0.000 0.452 617 Q N 0.587 120.385 119.800 -0.003 0.000 2.016 617 Q HA -0.186 4.153 4.340 -0.002 0.000 0.200 617 Q C 2.229 178.226 176.000 -0.006 0.000 0.978 617 Q CA 1.833 57.634 55.803 -0.003 0.000 0.833 617 Q CB -0.291 28.445 28.738 -0.003 0.000 0.895 617 Q HN 0.516 nan 8.270 nan 0.000 0.427 618 K N -0.857 119.538 120.400 -0.009 0.000 2.107 618 K HA -0.193 4.126 4.320 -0.002 0.000 0.211 618 K C 2.057 178.656 176.600 -0.002 0.000 1.049 618 K CA 1.928 58.208 56.287 -0.012 0.000 0.927 618 K CB -0.254 32.231 32.500 -0.024 0.000 0.714 618 K HN 0.340 nan 8.250 nan 0.000 0.452 619 T N 1.421 115.982 114.554 0.011 0.000 2.809 619 T HA -0.015 4.334 4.350 -0.002 0.000 0.260 619 T C 1.926 176.630 174.700 0.006 0.000 1.039 619 T CA 0.747 62.862 62.100 0.025 0.000 1.141 619 T CB -0.118 68.779 68.868 0.048 0.000 0.869 619 T HN 0.083 nan 8.240 nan 0.000 0.437 620 L N 0.953 122.175 121.223 -0.002 0.000 2.083 620 L HA -0.057 4.282 4.340 -0.002 0.000 0.209 620 L C 3.059 179.916 176.870 -0.021 0.000 1.083 620 L CA 1.108 55.941 54.840 -0.011 0.000 0.752 620 L CB -0.680 41.374 42.059 -0.008 0.000 0.899 620 L HN 0.253 nan 8.230 nan 0.000 0.433 621 A N -0.367 122.439 122.820 -0.024 0.000 1.877 621 A HA -0.255 4.064 4.320 -0.002 0.000 0.216 621 A C 2.228 179.773 177.584 -0.064 0.000 1.186 621 A CA 1.622 53.632 52.037 -0.044 0.000 0.620 621 A CB -0.500 18.477 19.000 -0.039 0.000 0.822 621 A HN 0.475 nan 8.150 nan 0.000 0.443 622 Q N -0.775 119.002 119.800 -0.039 0.000 2.167 622 Q HA -0.059 4.280 4.340 -0.002 0.000 0.202 622 Q C 2.401 178.387 176.000 -0.024 0.000 0.970 622 Q CA 1.093 56.878 55.803 -0.030 0.000 0.855 622 Q CB -0.358 28.388 28.738 0.013 0.000 0.911 622 Q HN 0.693 nan 8.270 nan 0.000 0.438 623 A N 1.012 123.821 122.820 -0.019 0.000 1.877 623 A HA -0.198 4.121 4.320 -0.002 0.000 0.216 623 A C 2.076 179.642 177.584 -0.030 0.000 1.186 623 A CA 1.217 53.245 52.037 -0.015 0.000 0.620 623 A CB -0.498 18.492 19.000 -0.015 0.000 0.822 623 A HN 0.277 nan 8.150 nan 0.000 0.443 624 M N -0.772 118.799 119.600 -0.048 0.000 2.082 624 M HA -0.180 4.299 4.480 -0.002 0.000 0.258 624 M C 2.217 178.460 176.300 -0.096 0.000 1.071 624 M CA 1.804 57.067 55.300 -0.062 0.000 1.103 624 M CB -0.501 32.058 32.600 -0.069 0.000 1.307 624 M HN 0.432 nan 8.290 nan 0.000 0.409 625 L N -0.230 120.885 121.223 -0.180 0.000 2.079 625 L HA -0.279 4.060 4.340 -0.002 0.000 0.210 625 L C 2.399 179.191 176.870 -0.130 0.000 1.081 625 L CA 1.208 55.832 54.840 -0.359 0.000 0.752 625 L CB -0.911 40.681 42.059 -0.778 0.000 0.896 625 L HN 0.511 nan 8.230 nan 0.000 0.433 626 N N 0.602 119.297 118.700 -0.008 0.000 2.084 626 N HA -0.254 4.485 4.740 -0.002 0.000 0.190 626 N C 1.677 177.223 175.510 0.060 0.000 1.030 626 N CA 1.872 54.975 53.050 0.089 0.000 0.849 626 N CB -0.110 38.418 38.487 0.068 0.000 1.012 626 N HN 0.339 nan 8.380 nan 0.000 0.423 627 N N 0.069 118.781 118.700 0.019 0.000 2.149 627 N HA -0.131 4.608 4.740 -0.002 0.000 0.188 627 N C 1.644 177.168 175.510 0.022 0.000 1.019 627 N CA 1.477 54.536 53.050 0.014 0.000 0.857 627 N CB -0.083 38.402 38.487 -0.003 0.000 0.997 627 N HN 0.353 nan 8.380 nan 0.000 0.426 628 A N -0.095 122.736 122.820 0.018 0.000 1.826 628 A HA 0.007 4.326 4.320 -0.002 0.000 0.214 628 A C 0.812 178.439 177.584 0.073 0.000 1.212 628 A CA 1.036 53.091 52.037 0.030 0.000 0.605 628 A CB -0.111 18.892 19.000 0.005 0.000 0.861 628 A HN 0.393 nan 8.150 nan 0.000 0.447 629 Q N -0.574 119.310 119.800 0.140 0.000 2.607 629 Q HA 0.251 4.590 4.340 -0.002 0.000 0.247 629 Q C -2.210 173.898 176.000 0.180 0.000 1.033 629 Q CA -1.947 53.960 55.803 0.174 0.000 0.769 629 Q CB 1.626 30.508 28.738 0.240 0.000 1.169 629 Q HN 0.302 nan 8.270 nan 0.000 0.508 630 P HA -0.224 nan 4.420 nan 0.000 0.215 630 P C 1.020 178.353 177.300 0.055 0.000 1.157 630 P CA 1.316 64.465 63.100 0.081 0.000 0.868 630 P CB 0.180 31.910 31.700 0.049 0.000 0.788 631 D N -1.107 119.309 120.400 0.027 0.000 2.350 631 D HA -0.183 4.455 4.640 -0.002 0.000 0.216 631 D C 1.565 177.832 176.300 -0.056 0.000 0.968 631 D CA 1.035 55.032 54.000 -0.006 0.000 0.894 631 D CB -0.286 40.510 40.800 -0.007 0.000 0.909 631 D HN 0.166 nan 8.370 nan 0.000 0.520 632 Q N -0.962 118.783 119.800 -0.092 0.000 2.396 632 Q HA 0.069 4.408 4.340 -0.002 0.000 0.220 632 Q C -0.309 175.352 176.000 -0.564 0.000 0.900 632 Q CA 0.393 55.995 55.803 -0.335 0.000 0.925 632 Q CB 0.753 29.241 28.738 -0.417 0.000 1.065 632 Q HN 0.387 nan 8.270 nan 0.000 0.535 633 Y N 0.385 120.689 120.300 0.007 0.000 2.373 633 Y HA 0.301 4.850 4.550 -0.002 0.000 0.336 633 Y C -0.240 175.664 175.900 0.007 0.000 0.979 633 Y CA -0.893 57.211 58.100 0.006 0.000 1.080 633 Y CB 1.456 39.919 38.460 0.006 0.000 1.190 633 Y HN -0.140 nan 8.280 nan 0.000 0.446 634 E N 2.566 122.845 120.200 0.132 0.000 2.290 634 E HA 0.474 4.822 4.350 -0.002 0.000 0.277 634 E C -0.245 176.403 176.600 0.080 0.000 1.035 634 E CA -0.499 55.949 56.400 0.080 0.000 0.873 634 E CB 0.721 30.452 29.700 0.052 0.000 1.029 634 E HN 0.812 nan 8.360 nan 0.000 0.419 635 A N 6.479 129.334 122.820 0.059 0.000 2.580 635 A HA 0.092 4.411 4.320 -0.002 0.000 0.244 635 A C -1.992 175.615 177.584 0.038 0.000 1.045 635 A CA -0.833 51.229 52.037 0.042 0.000 0.761 635 A CB -0.300 18.715 19.000 0.025 0.000 0.962 635 A HN 0.516 nan 8.150 nan 0.000 0.512 636 P HA 0.181 nan 4.420 nan 0.000 0.276 636 P C -0.802 176.522 177.300 0.040 0.000 1.252 636 P CA -0.457 62.675 63.100 0.053 0.000 0.802 636 P CB 0.660 32.392 31.700 0.054 0.000 1.035 637 D N 0.942 121.385 120.400 0.073 0.000 2.352 637 D HA 0.047 4.686 4.640 -0.002 0.000 0.245 637 D C 1.035 177.307 176.300 -0.047 0.000 1.224 637 D CA 0.003 53.986 54.000 -0.028 0.000 0.879 637 D CB 0.405 41.148 40.800 -0.095 0.000 1.057 637 D HN 0.160 nan 8.370 nan 0.000 0.491 638 K N 2.259 122.609 120.400 -0.083 0.000 2.283 638 K HA -0.101 4.218 4.320 -0.002 0.000 0.202 638 K C 0.843 177.373 176.600 -0.117 0.000 1.048 638 K CA 0.576 56.824 56.287 -0.065 0.000 0.948 638 K CB 0.319 32.785 32.500 -0.057 0.000 0.742 638 K HN 0.414 nan 8.250 nan 0.000 0.458 639 D N 0.667 120.912 120.400 -0.259 0.000 2.190 639 D HA -0.169 4.470 4.640 -0.002 0.000 0.200 639 D C 1.572 177.724 176.300 -0.246 0.000 0.992 639 D CA 1.196 55.015 54.000 -0.302 0.000 0.854 639 D CB -0.279 40.259 40.800 -0.436 0.000 0.936 639 D HN 0.195 nan 8.370 nan 0.000 0.462 640 F N 0.358 120.274 119.950 -0.057 0.000 2.102 640 F HA -0.123 4.403 4.527 -0.002 0.000 0.298 640 F C 2.638 178.434 175.800 -0.007 0.000 1.105 640 F CA 0.614 58.600 58.000 -0.024 0.000 1.239 640 F CB -0.420 38.560 39.000 -0.032 0.000 0.991 640 F HN -0.118 nan 8.300 nan 0.000 0.474 641 M N 0.287 119.987 119.600 0.167 0.000 2.082 641 M HA -0.242 4.237 4.480 -0.002 0.000 0.258 641 M C 2.006 178.328 176.300 0.037 0.000 1.069 641 M CA 1.941 57.288 55.300 0.078 0.000 1.102 641 M CB -0.304 32.319 32.600 0.039 0.000 1.336 641 M HN 0.090 nan 8.290 nan 0.000 0.404 642 I N 0.114 120.689 120.570 0.008 0.000 2.151 642 I HA -0.255 3.914 4.170 -0.002 0.000 0.243 642 I C 2.497 178.623 176.117 0.015 0.000 1.080 642 I CA 1.716 63.011 61.300 -0.008 0.000 1.339 642 I CB -1.239 36.741 38.000 -0.033 0.000 1.039 642 I HN 0.426 nan 8.210 nan 0.000 0.409 643 V N -1.326 118.613 119.914 0.041 0.000 2.453 643 V HA -0.080 4.039 4.120 -0.002 0.000 0.247 643 V C 2.511 178.650 176.094 0.075 0.000 1.048 643 V CA 1.280 63.620 62.300 0.065 0.000 1.049 643 V CB -1.670 30.216 31.823 0.105 0.000 0.672 643 V HN 0.317 nan 8.190 nan 0.000 0.457 644 A N 1.062 123.937 122.820 0.091 0.000 1.883 644 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 644 A C 2.278 179.880 177.584 0.030 0.000 1.186 644 A CA 2.307 54.388 52.037 0.073 0.000 0.624 644 A CB -0.803 18.241 19.000 0.074 0.000 0.822 644 A HN 0.568 nan 8.150 nan 0.000 0.444 645 L N -0.502 120.731 121.223 0.018 0.000 2.013 645 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 645 L C 2.259 179.137 176.870 0.014 0.000 1.073 645 L CA 1.741 56.583 54.840 0.003 0.000 0.753 645 L CB -0.755 41.296 42.059 -0.013 0.000 0.890 645 L HN 0.352 nan 8.230 nan 0.000 0.432 646 D N -0.225 120.185 120.400 0.017 0.000 2.097 646 D HA -0.177 4.462 4.640 -0.002 0.000 0.195 646 D C 2.027 178.337 176.300 0.015 0.000 0.989 646 D CA 0.978 54.987 54.000 0.016 0.000 0.827 646 D CB -0.241 40.566 40.800 0.012 0.000 0.966 646 D HN 0.107 nan 8.370 nan 0.000 0.456 647 L N 0.655 121.890 121.223 0.020 0.000 2.083 647 L HA -0.127 4.212 4.340 -0.002 0.000 0.209 647 L C 1.883 178.765 176.870 0.020 0.000 1.083 647 L CA 1.290 56.135 54.840 0.007 0.000 0.752 647 L CB -0.721 41.353 42.059 0.024 0.000 0.899 647 L HN -0.036 nan 8.230 nan 0.000 0.433 648 L N -0.596 120.645 121.223 0.030 0.000 1.994 648 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 648 L C 2.646 179.566 176.870 0.084 0.000 1.071 648 L CA 1.922 56.797 54.840 0.059 0.000 0.745 648 L CB -1.600 40.467 42.059 0.014 0.000 0.892 648 L HN 0.290 nan 8.230 nan 0.000 0.431 649 S N -0.249 115.489 115.700 0.064 0.000 2.402 649 S HA -0.164 4.305 4.470 -0.002 0.000 0.233 649 S C 2.006 176.644 174.600 0.063 0.000 1.030 649 S CA 1.096 59.342 58.200 0.077 0.000 1.003 649 S CB -0.793 62.445 63.200 0.063 0.000 0.813 649 S HN 0.600 nan 8.310 nan 0.000 0.477 650 G N 1.692 110.511 108.800 0.033 0.000 2.394 650 G HA2 -0.025 3.933 3.960 -0.002 0.000 0.214 650 G HA3 -0.025 3.933 3.960 -0.002 0.000 0.214 650 G C 1.305 176.209 174.900 0.006 0.000 1.176 650 G CA 0.355 45.455 45.100 0.001 0.000 0.786 650 G HN 0.461 nan 8.290 nan 0.000 0.533 651 L N 0.836 122.078 121.223 0.031 0.000 2.141 651 L HA -0.000 4.338 4.340 -0.002 0.000 0.209 651 L C 3.344 180.278 176.870 0.106 0.000 1.094 651 L CA 0.854 55.739 54.840 0.075 0.000 0.763 651 L CB -0.348 41.809 42.059 0.163 0.000 0.908 651 L HN 0.288 nan 8.230 nan 0.000 0.437 652 A N 0.073 122.964 122.820 0.118 0.000 1.902 652 A HA -0.209 4.109 4.320 -0.002 0.000 0.217 652 A C 2.200 179.848 177.584 0.106 0.000 1.181 652 A CA 1.659 53.770 52.037 0.124 0.000 0.623 652 A CB -0.339 18.745 19.000 0.140 0.000 0.818 652 A HN 0.435 nan 8.150 nan 0.000 0.443 653 E N -0.826 119.430 120.200 0.093 0.000 2.046 653 E HA -0.049 4.300 4.350 -0.002 0.000 0.190 653 E C 2.174 178.813 176.600 0.065 0.000 0.982 653 E CA 0.769 57.219 56.400 0.083 0.000 0.800 653 E CB -0.347 29.395 29.700 0.069 0.000 0.756 653 E HN 0.580 nan 8.360 nan 0.000 0.449 654 G N 0.492 109.325 108.800 0.054 0.000 2.408 654 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.217 654 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.217 654 G C 1.297 176.237 174.900 0.067 0.000 1.150 654 G CA 0.428 45.557 45.100 0.050 0.000 0.776 654 G HN 0.056 nan 8.290 nan 0.000 0.542 655 L N 0.548 121.820 121.223 0.081 0.000 2.590 655 L HA 0.326 4.665 4.340 -0.002 0.000 0.227 655 L C 2.301 179.212 176.870 0.068 0.000 1.099 655 L CA 0.463 55.353 54.840 0.084 0.000 0.872 655 L CB -0.555 41.564 42.059 0.101 0.000 1.088 655 L HN 0.363 nan 8.230 nan 0.000 0.479 656 G N 0.764 109.606 108.800 0.071 0.000 2.699 656 G HA2 -0.457 3.502 3.960 -0.002 0.000 0.351 656 G HA3 -0.457 3.502 3.960 -0.002 0.000 0.351 656 G C 1.323 176.265 174.900 0.069 0.000 1.191 656 G CA 0.900 46.042 45.100 0.070 0.000 0.953 656 G HN 0.446 nan 8.290 nan 0.000 0.557 657 G N 0.380 109.214 108.800 0.057 0.000 2.421 657 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.216 657 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.216 657 G C 1.506 176.438 174.900 0.053 0.000 1.171 657 G CA 1.449 46.581 45.100 0.055 0.000 0.775 657 G HN 0.809 nan 8.290 nan 0.000 0.543 658 N N 0.007 118.732 118.700 0.041 0.000 2.573 658 N HA -0.008 4.731 4.740 -0.002 0.000 0.187 658 N C 1.739 177.254 175.510 0.008 0.000 1.107 658 N CA 0.052 53.117 53.050 0.025 0.000 0.918 658 N CB 0.036 38.536 38.487 0.021 0.000 0.966 658 N HN 0.257 nan 8.380 nan 0.000 0.448 659 I N 1.810 122.392 120.570 0.021 0.000 2.676 659 I HA -0.192 3.977 4.170 -0.002 0.000 0.259 659 I C 2.097 178.190 176.117 -0.040 0.000 1.194 659 I CA 0.807 62.096 61.300 -0.018 0.000 1.473 659 I CB -0.148 37.875 38.000 0.038 0.000 1.096 659 I HN 0.149 nan 8.210 nan 0.000 0.443 660 E N -0.282 119.947 120.200 0.050 0.000 2.097 660 E HA -0.303 4.046 4.350 -0.002 0.000 0.196 660 E C 1.956 178.550 176.600 -0.011 0.000 1.000 660 E CA 1.469 57.958 56.400 0.148 0.000 0.804 660 E CB -0.742 29.123 29.700 0.275 0.000 0.740 660 E HN 0.406 nan 8.360 nan 0.000 0.454 661 Q N 0.373 120.152 119.800 -0.035 0.000 2.030 661 Q HA -0.096 4.242 4.340 -0.002 0.000 0.204 661 Q C 2.430 178.319 176.000 -0.184 0.000 0.986 661 Q CA 1.672 57.420 55.803 -0.091 0.000 0.843 661 Q CB -0.367 28.332 28.738 -0.065 0.000 0.904 661 Q HN 0.452 nan 8.270 nan 0.000 0.420 662 L N -0.420 120.639 121.223 -0.274 0.000 2.093 662 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 662 L C 2.454 179.084 176.870 -0.401 0.000 1.085 662 L CA 0.509 55.062 54.840 -0.479 0.000 0.755 662 L CB -0.350 41.135 42.059 -0.957 0.000 0.904 662 L HN 0.017 nan 8.230 nan 0.000 0.435 663 V N -0.117 119.625 119.914 -0.286 0.000 2.307 663 V HA -0.288 3.831 4.120 -0.002 0.000 0.245 663 V C 2.720 178.686 176.094 -0.213 0.000 1.045 663 V CA 1.809 64.048 62.300 -0.101 0.000 1.024 663 V CB -0.760 31.043 31.823 -0.034 0.000 0.651 663 V HN 0.485 nan 8.190 nan 0.000 0.449 664 A N 0.185 122.712 122.820 -0.487 0.000 1.902 664 A HA -0.205 4.114 4.320 -0.002 0.000 0.217 664 A C 2.162 179.639 177.584 -0.178 0.000 1.181 664 A CA 1.591 53.331 52.037 -0.496 0.000 0.623 664 A CB -0.431 18.240 19.000 -0.547 0.000 0.818 664 A HN 0.572 nan 8.150 nan 0.000 0.443 665 R N 0.063 120.494 120.500 -0.115 0.000 2.363 665 R HA 0.143 4.482 4.340 -0.002 0.000 0.236 665 R C -0.137 176.176 176.300 0.021 0.000 0.966 665 R CA 0.569 56.647 56.100 -0.038 0.000 1.100 665 R CB -0.166 30.116 30.300 -0.031 0.000 1.125 665 R HN 0.591 nan 8.270 nan 0.000 0.514 666 S N 0.015 115.741 115.700 0.043 0.000 2.588 666 S HA 0.175 4.644 4.470 -0.002 0.000 0.275 666 S C -0.171 174.472 174.600 0.071 0.000 1.130 666 S CA -1.192 57.066 58.200 0.095 0.000 0.855 666 S CB 1.362 64.694 63.200 0.221 0.000 1.116 666 S HN 0.223 nan 8.310 nan 0.000 0.472 667 N N 0.680 119.417 118.700 0.063 0.000 2.466 667 N HA 0.074 4.813 4.740 -0.002 0.000 0.251 667 N C 0.698 176.250 175.510 0.070 0.000 1.164 667 N CA -0.437 52.645 53.050 0.054 0.000 0.888 667 N CB -0.306 38.204 38.487 0.038 0.000 1.177 667 N HN 0.596 nan 8.380 nan 0.000 0.498 668 I N 0.410 121.034 120.570 0.090 0.000 2.264 668 I HA -0.229 3.939 4.170 -0.002 0.000 0.248 668 I C 1.522 177.712 176.117 0.121 0.000 1.111 668 I CA 1.251 62.605 61.300 0.090 0.000 1.382 668 I CB 0.072 38.148 38.000 0.127 0.000 1.060 668 I HN 0.175 nan 8.210 nan 0.000 0.418 669 L N -0.855 120.463 121.223 0.158 0.000 2.217 669 L HA -0.072 4.267 4.340 -0.002 0.000 0.211 669 L C 2.316 179.353 176.870 0.279 0.000 1.107 669 L CA 1.503 56.503 54.840 0.267 0.000 0.783 669 L CB -1.602 40.627 42.059 0.282 0.000 0.919 669 L HN 0.105 nan 8.230 nan 0.000 0.442 670 T N 0.392 115.040 114.554 0.155 0.000 2.701 670 T HA -0.100 4.249 4.350 -0.002 0.000 0.263 670 T C 1.979 176.790 174.700 0.185 0.000 1.040 670 T CA 1.428 63.609 62.100 0.135 0.000 1.147 670 T CB -0.444 68.464 68.868 0.067 0.000 0.865 670 T HN 0.162 nan 8.240 nan 0.000 0.426 671 L N 0.497 121.794 121.223 0.122 0.000 1.989 671 L HA -0.138 4.201 4.340 -0.002 0.000 0.211 671 L C 2.764 179.692 176.870 0.096 0.000 1.071 671 L CA 1.547 56.438 54.840 0.087 0.000 0.749 671 L CB -0.703 41.382 42.059 0.044 0.000 0.890 671 L HN 0.226 nan 8.230 nan 0.000 0.431 672 M N -1.197 118.472 119.600 0.116 0.000 2.116 672 M HA -0.332 4.147 4.480 -0.002 0.000 0.255 672 M C 2.408 178.802 176.300 0.156 0.000 1.075 672 M CA 2.069 57.422 55.300 0.088 0.000 1.087 672 M CB -0.322 32.337 32.600 0.098 0.000 1.340 672 M HN 0.225 nan 8.290 nan 0.000 0.402 673 Y N 0.794 121.219 120.300 0.208 0.000 2.181 673 Y HA -0.291 4.258 4.550 -0.002 0.000 0.288 673 Y C 2.190 178.144 175.900 0.090 0.000 1.146 673 Y CA 2.250 60.501 58.100 0.251 0.000 1.164 673 Y CB -0.422 38.164 38.460 0.210 0.000 0.982 673 Y HN 0.391 nan 8.280 nan 0.000 0.515 674 Q N -1.515 118.322 119.800 0.061 0.000 2.079 674 Q HA -0.191 4.147 4.340 -0.002 0.000 0.200 674 Q C 2.447 178.380 176.000 -0.110 0.000 0.974 674 Q CA 1.788 57.560 55.803 -0.051 0.000 0.840 674 Q CB -0.532 28.215 28.738 0.016 0.000 0.898 674 Q HN 0.463 nan 8.270 nan 0.000 0.430 675 C N 0.518 119.763 119.300 -0.092 0.000 2.411 675 C HA -0.115 4.344 4.460 -0.002 0.000 0.279 675 C C 2.455 177.299 174.990 -0.244 0.000 1.288 675 C CA 0.697 59.631 59.018 -0.141 0.000 1.764 675 C CB -0.747 26.919 27.740 -0.123 0.000 1.974 675 C HN 0.534 nan 8.230 nan 0.000 0.498 676 M N -0.130 119.290 119.600 -0.299 0.000 2.549 676 M HA -0.129 4.350 4.480 -0.002 0.000 0.260 676 M C 1.704 177.839 176.300 -0.276 0.000 1.076 676 M CA 1.399 56.431 55.300 -0.448 0.000 1.090 676 M CB -0.259 32.126 32.600 -0.359 0.000 1.418 676 M HN 0.468 nan 8.290 nan 0.000 0.486 677 Q N -0.550 119.112 119.800 -0.229 0.000 2.179 677 Q HA 0.103 4.442 4.340 -0.002 0.000 0.213 677 Q C -0.197 175.722 176.000 -0.135 0.000 0.833 677 Q CA -0.281 55.420 55.803 -0.170 0.000 0.990 677 Q CB 0.654 29.273 28.738 -0.198 0.000 1.132 677 Q HN 0.248 nan 8.270 nan 0.000 0.493 678 D N 1.482 121.795 120.400 -0.144 0.000 2.399 678 D HA -0.053 4.586 4.640 -0.002 0.000 0.241 678 D C 0.920 177.150 176.300 -0.116 0.000 1.133 678 D CA 0.284 54.215 54.000 -0.115 0.000 0.890 678 D CB 1.077 41.809 40.800 -0.113 0.000 1.201 678 D HN 0.171 nan 8.370 nan 0.000 0.432 679 K N 3.025 123.371 120.400 -0.091 0.000 2.147 679 K HA -0.143 4.176 4.320 -0.002 0.000 0.205 679 K C 1.276 177.810 176.600 -0.109 0.000 1.049 679 K CA 0.634 56.868 56.287 -0.089 0.000 0.936 679 K CB -0.122 32.347 32.500 -0.052 0.000 0.722 679 K HN 0.432 nan 8.250 nan 0.000 0.446 680 M N 3.383 122.928 119.600 -0.092 0.000 2.108 680 M HA 0.127 4.606 4.480 -0.002 0.000 0.347 680 M C -1.951 174.284 176.300 -0.108 0.000 1.326 680 M CA -2.306 52.945 55.300 -0.080 0.000 1.126 680 M CB 1.183 33.750 32.600 -0.055 0.000 1.606 680 M HN -0.188 nan 8.290 nan 0.000 0.462 681 P HA -0.221 nan 4.420 nan 0.000 0.217 681 P C 0.434 177.707 177.300 -0.045 0.000 1.151 681 P CA 1.747 64.770 63.100 -0.130 0.000 0.849 681 P CB 0.091 31.761 31.700 -0.051 0.000 0.787 682 E N -0.495 119.691 120.200 -0.023 0.000 2.160 682 E HA -0.117 4.232 4.350 -0.002 0.000 0.195 682 E C 2.060 178.633 176.600 -0.045 0.000 0.991 682 E CA 0.985 57.375 56.400 -0.017 0.000 0.810 682 E CB -0.985 28.704 29.700 -0.018 0.000 0.742 682 E HN 0.110 nan 8.360 nan 0.000 0.466 683 V N 0.747 120.617 119.914 -0.074 0.000 2.323 683 V HA -0.214 3.904 4.120 -0.002 0.000 0.244 683 V C 2.127 178.120 176.094 -0.168 0.000 1.041 683 V CA 1.767 64.006 62.300 -0.102 0.000 1.025 683 V CB -0.493 31.268 31.823 -0.102 0.000 0.656 683 V HN 0.195 nan 8.190 nan 0.000 0.451 684 R N 0.217 120.598 120.500 -0.198 0.000 2.083 684 R HA -0.243 4.096 4.340 -0.002 0.000 0.237 684 R C 2.444 178.578 176.300 -0.278 0.000 1.137 684 R CA 1.964 57.852 56.100 -0.353 0.000 0.951 684 R CB -0.578 29.609 30.300 -0.188 0.000 0.851 684 R HN 0.647 nan 8.270 nan 0.000 0.434 685 Q N 0.759 120.553 119.800 -0.010 0.000 2.045 685 Q HA -0.175 4.164 4.340 -0.002 0.000 0.206 685 Q C 1.995 178.032 176.000 0.061 0.000 0.991 685 Q CA 2.135 58.009 55.803 0.118 0.000 0.851 685 Q CB -0.059 28.731 28.738 0.088 0.000 0.911 685 Q HN 0.180 nan 8.270 nan 0.000 0.418 686 S N 0.269 115.959 115.700 -0.016 0.000 2.402 686 S HA -0.124 4.345 4.470 -0.002 0.000 0.229 686 S C 2.039 176.621 174.600 -0.030 0.000 1.021 686 S CA 1.235 59.427 58.200 -0.013 0.000 0.974 686 S CB -0.168 63.017 63.200 -0.025 0.000 0.800 686 S HN 0.666 nan 8.310 nan 0.000 0.484 687 S N 0.799 116.420 115.700 -0.133 0.000 2.371 687 S HA 0.037 4.506 4.470 -0.002 0.000 0.224 687 S C 1.617 176.137 174.600 -0.134 0.000 1.029 687 S CA 0.632 58.721 58.200 -0.185 0.000 0.978 687 S CB -0.961 62.046 63.200 -0.321 0.000 0.833 687 S HN 0.541 nan 8.310 nan 0.000 0.466 688 F N 2.521 122.471 119.950 0.000 0.000 2.202 688 F HA -0.037 4.489 4.527 -0.002 0.000 0.301 688 F C 2.917 178.792 175.800 0.125 0.000 1.082 688 F CA 0.622 58.636 58.000 0.024 0.000 1.313 688 F CB -0.442 38.584 39.000 0.044 0.000 1.024 688 F HN 0.325 nan 8.300 nan 0.000 0.495 689 A N 0.041 123.042 122.820 0.302 0.000 1.898 689 A HA -0.173 4.146 4.320 -0.002 0.000 0.216 689 A C 2.016 179.771 177.584 0.286 0.000 1.181 689 A CA 1.371 53.593 52.037 0.309 0.000 0.620 689 A CB -0.913 18.166 19.000 0.131 0.000 0.819 689 A HN 0.333 nan 8.150 nan 0.000 0.442 690 L N -0.727 120.585 121.223 0.149 0.000 2.083 690 L HA -0.091 4.248 4.340 -0.002 0.000 0.209 690 L C 2.174 179.101 176.870 0.094 0.000 1.083 690 L CA 1.781 56.686 54.840 0.108 0.000 0.752 690 L CB -0.774 41.313 42.059 0.046 0.000 0.899 690 L HN 0.348 nan 8.230 nan 0.000 0.433 691 L N 0.125 121.375 121.223 0.046 0.000 1.956 691 L HA -0.097 4.242 4.340 -0.002 0.000 0.216 691 L C 2.440 179.307 176.870 -0.005 0.000 1.073 691 L CA 2.386 57.199 54.840 -0.045 0.000 0.762 691 L CB -1.642 40.357 42.059 -0.100 0.000 0.889 691 L HN 0.322 nan 8.230 nan 0.000 0.433 692 G N -1.304 107.495 108.800 -0.002 0.000 2.469 692 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.220 692 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.220 692 G C 1.322 176.182 174.900 -0.065 0.000 1.136 692 G CA 1.017 45.922 45.100 -0.326 0.000 0.759 692 G HN 0.488 nan 8.290 nan 0.000 0.562 693 D N 0.209 120.756 120.400 0.245 0.000 2.144 693 D HA -0.030 4.608 4.640 -0.002 0.000 0.199 693 D C 2.642 179.034 176.300 0.155 0.000 0.984 693 D CA 0.467 54.620 54.000 0.255 0.000 0.834 693 D CB -0.137 40.807 40.800 0.240 0.000 0.955 693 D HN 0.319 nan 8.370 nan 0.000 0.465 694 L N 0.316 121.615 121.223 0.128 0.000 2.131 694 L HA -0.083 4.256 4.340 -0.002 0.000 0.206 694 L C 2.450 179.418 176.870 0.163 0.000 1.087 694 L CA 0.843 55.767 54.840 0.139 0.000 0.767 694 L CB -0.538 41.600 42.059 0.132 0.000 0.917 694 L HN -0.014 nan 8.230 nan 0.000 0.441 695 T N -0.139 114.501 114.554 0.144 0.000 2.635 695 T HA -0.303 4.046 4.350 -0.002 0.000 0.267 695 T C 1.921 176.682 174.700 0.102 0.000 1.040 695 T CA 1.832 64.057 62.100 0.208 0.000 1.156 695 T CB -0.148 68.729 68.868 0.015 0.000 0.863 695 T HN 0.236 nan 8.240 nan 0.000 0.430 696 K N 0.619 121.035 120.400 0.026 0.000 2.097 696 K HA 0.008 4.327 4.320 -0.002 0.000 0.205 696 K C 2.372 179.016 176.600 0.073 0.000 1.050 696 K CA 1.202 57.504 56.287 0.024 0.000 0.938 696 K CB -0.205 32.328 32.500 0.055 0.000 0.718 696 K HN 0.308 nan 8.250 nan 0.000 0.442 697 A N 0.196 123.080 122.820 0.107 0.000 1.943 697 A HA 0.009 4.328 4.320 -0.002 0.000 0.213 697 A C 1.033 178.685 177.584 0.114 0.000 1.181 697 A CA 0.851 52.953 52.037 0.107 0.000 0.653 697 A CB -0.033 19.037 19.000 0.117 0.000 0.833 697 A HN 0.574 nan 8.150 nan 0.000 0.451 698 C N -3.996 115.391 119.300 0.146 0.000 3.166 698 C HA 0.522 4.981 4.460 -0.002 0.000 0.277 698 C C 0.616 175.694 174.990 0.146 0.000 0.984 698 C CA -1.011 58.087 59.018 0.132 0.000 1.142 698 C CB -1.780 26.072 27.740 0.186 0.000 1.721 698 C HN 0.338 nan 8.230 nan 0.000 0.628 699 F N 3.178 123.123 119.950 -0.009 0.000 2.333 699 F HA -0.132 4.394 4.527 -0.002 0.000 0.300 699 F C 2.648 178.426 175.800 -0.036 0.000 1.083 699 F CA 2.385 60.381 58.000 -0.007 0.000 1.395 699 F CB 0.239 39.231 39.000 -0.013 0.000 1.056 699 F HN 0.719 nan 8.300 nan 0.000 0.529 700 Q N -0.200 119.515 119.800 -0.142 0.000 2.096 700 Q HA -0.259 4.080 4.340 -0.002 0.000 0.204 700 Q C 1.538 177.335 176.000 -0.339 0.000 0.982 700 Q CA 2.085 57.713 55.803 -0.293 0.000 0.850 700 Q CB -1.464 27.077 28.738 -0.327 0.000 0.901 700 Q HN 0.485 nan 8.270 nan 0.000 0.422 701 H N 0.074 119.102 119.070 -0.071 0.000 2.547 701 H HA 0.135 4.690 4.556 -0.002 0.000 0.272 701 H C 2.129 177.409 175.328 -0.080 0.000 0.989 701 H CA 0.948 56.964 56.048 -0.054 0.000 1.214 701 H CB 0.385 30.149 29.762 0.002 0.000 1.389 701 H HN 0.141 nan 8.280 nan 0.000 0.577 702 V N 0.678 120.532 119.914 -0.099 0.000 2.492 702 V HA -0.115 4.004 4.120 -0.002 0.000 0.241 702 V C 2.566 178.467 176.094 -0.321 0.000 1.041 702 V CA 0.943 63.174 62.300 -0.114 0.000 1.057 702 V CB -0.190 31.600 31.823 -0.055 0.000 0.711 702 V HN 0.194 nan 8.190 nan 0.000 0.468 703 K N 0.780 120.730 120.400 -0.751 0.000 2.052 703 K HA -0.261 4.058 4.320 -0.002 0.000 0.215 703 K C -0.245 176.196 176.600 -0.265 0.000 1.053 703 K CA 2.500 58.403 56.287 -0.641 0.000 0.934 703 K CB -1.280 30.874 32.500 -0.577 0.000 0.717 703 K HN 0.358 nan 8.250 nan 0.000 0.450 704 P HA -0.181 nan 4.420 nan 0.000 0.219 704 P C 0.798 177.985 177.300 -0.189 0.000 1.145 704 P CA 1.205 64.219 63.100 -0.143 0.000 0.813 704 P CB 0.022 31.656 31.700 -0.111 0.000 0.771 705 C N -2.526 116.629 119.300 -0.242 0.000 2.865 705 C HA 0.156 4.615 4.460 -0.002 0.000 0.280 705 C C 2.386 177.106 174.990 -0.450 0.000 1.255 705 C CA -0.330 58.397 59.018 -0.485 0.000 1.705 705 C CB -1.203 26.077 27.740 -0.767 0.000 2.080 705 C HN 0.155 nan 8.230 nan 0.000 0.591 706 I N 2.261 122.741 120.570 -0.150 0.000 2.229 706 I HA -0.270 3.899 4.170 -0.002 0.000 0.250 706 I C 2.737 178.732 176.117 -0.203 0.000 1.096 706 I CA 2.154 63.408 61.300 -0.076 0.000 1.358 706 I CB -1.628 36.312 38.000 -0.099 0.000 1.047 706 I HN 0.316 nan 8.210 nan 0.000 0.422 707 A N 0.323 123.076 122.820 -0.111 0.000 1.940 707 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 707 A C 1.985 179.596 177.584 0.044 0.000 1.176 707 A CA 2.370 54.456 52.037 0.081 0.000 0.631 707 A CB -0.664 18.394 19.000 0.096 0.000 0.814 707 A HN 0.423 nan 8.150 nan 0.000 0.446 708 D N -1.883 118.443 120.400 -0.124 0.000 2.262 708 D HA 0.094 4.732 4.640 -0.002 0.000 0.212 708 D C 1.466 177.863 176.300 0.162 0.000 0.964 708 D CA 0.576 54.521 54.000 -0.091 0.000 0.875 708 D CB -0.191 40.322 40.800 -0.478 0.000 0.996 708 D HN 0.354 nan 8.370 nan 0.000 0.497 709 F N 0.646 120.685 119.950 0.149 0.000 2.102 709 F HA -0.113 4.413 4.527 -0.002 0.000 0.298 709 F C 2.279 178.164 175.800 0.142 0.000 1.105 709 F CA 0.764 58.888 58.000 0.206 0.000 1.239 709 F CB -0.684 38.397 39.000 0.135 0.000 0.991 709 F HN -0.056 nan 8.300 nan 0.000 0.474 710 M N -0.211 119.526 119.600 0.229 0.000 2.088 710 M HA -0.181 4.298 4.480 -0.002 0.000 0.256 710 M C -0.272 176.131 176.300 0.172 0.000 1.071 710 M CA 2.049 57.422 55.300 0.121 0.000 1.097 710 M CB -2.560 30.019 32.600 -0.035 0.000 1.315 710 M HN -0.032 nan 8.290 nan 0.000 0.406 711 P HA -0.189 nan 4.420 nan 0.000 0.216 711 P C 1.728 179.128 177.300 0.167 0.000 1.167 711 P CA 1.411 64.622 63.100 0.185 0.000 0.914 711 P CB -0.339 31.477 31.700 0.193 0.000 0.793 712 I N -1.702 118.992 120.570 0.207 0.000 2.163 712 I HA -0.192 3.977 4.170 -0.002 0.000 0.243 712 I C 2.513 178.739 176.117 0.181 0.000 1.085 712 I CA 1.486 62.900 61.300 0.189 0.000 1.347 712 I CB -1.900 36.223 38.000 0.204 0.000 1.044 712 I HN -0.023 nan 8.210 nan 0.000 0.408 713 L N 0.950 122.275 121.223 0.170 0.000 2.043 713 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 713 L C 2.740 179.585 176.870 -0.041 0.000 1.075 713 L CA 1.770 56.595 54.840 -0.025 0.000 0.752 713 L CB -1.088 40.950 42.059 -0.035 0.000 0.891 713 L HN 0.336 nan 8.230 nan 0.000 0.432 714 G N -0.733 108.092 108.800 0.041 0.000 2.440 714 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.218 714 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.218 714 G C 1.592 176.523 174.900 0.051 0.000 1.154 714 G CA 1.364 46.495 45.100 0.051 0.000 0.767 714 G HN 0.478 nan 8.290 nan 0.000 0.552 715 T N -1.860 112.732 114.554 0.065 0.000 3.055 715 T HA 0.041 4.390 4.350 -0.002 0.000 0.265 715 T C 1.706 176.440 174.700 0.055 0.000 1.111 715 T CA 0.717 62.856 62.100 0.065 0.000 1.118 715 T CB -0.055 68.855 68.868 0.071 0.000 0.909 715 T HN 0.171 nan 8.240 nan 0.000 0.501 716 N N 0.764 119.483 118.700 0.031 0.000 2.313 716 N HA 0.144 4.883 4.740 -0.002 0.000 0.207 716 N C 0.120 175.611 175.510 -0.033 0.000 1.141 716 N CA -0.027 53.030 53.050 0.012 0.000 0.830 716 N CB 0.188 38.683 38.487 0.014 0.000 1.008 716 N HN 0.244 nan 8.380 nan 0.000 0.481 717 L N 0.705 121.922 121.223 -0.010 0.000 2.660 717 L HA 0.094 4.433 4.340 -0.002 0.000 0.238 717 L C 0.825 177.723 176.870 0.047 0.000 1.161 717 L CA 0.181 55.019 54.840 -0.003 0.000 0.937 717 L CB -1.359 40.702 42.059 0.003 0.000 1.122 717 L HN 0.066 nan 8.230 nan 0.000 0.435 718 N N 1.919 120.674 118.700 0.092 0.000 2.416 718 N HA 0.031 4.770 4.740 -0.002 0.000 0.265 718 N C -1.604 173.988 175.510 0.138 0.000 1.195 718 N CA -0.853 52.281 53.050 0.141 0.000 0.943 718 N CB 1.487 40.117 38.487 0.239 0.000 1.115 718 N HN 0.065 nan 8.380 nan 0.000 0.481 719 P HA -0.067 nan 4.420 nan 0.000 0.233 719 P C 0.875 178.181 177.300 0.009 0.000 1.167 719 P CA 0.676 63.802 63.100 0.042 0.000 0.770 719 P CB 0.450 32.163 31.700 0.022 0.000 0.837 720 E N 0.212 120.396 120.200 -0.027 0.000 2.072 720 E HA -0.099 4.250 4.350 -0.002 0.000 0.191 720 E C 0.065 176.505 176.600 -0.267 0.000 0.985 720 E CA 0.635 56.922 56.400 -0.187 0.000 0.801 720 E CB -0.259 29.254 29.700 -0.312 0.000 0.750 720 E HN 0.236 nan 8.360 nan 0.000 0.452 721 F N 1.456 121.418 119.950 0.020 0.000 2.652 721 F HA 0.171 4.697 4.527 -0.002 0.000 0.352 721 F C 1.374 177.189 175.800 0.024 0.000 1.259 721 F CA -0.388 57.627 58.000 0.025 0.000 1.249 721 F CB -0.071 38.953 39.000 0.040 0.000 1.628 721 F HN -0.008 nan 8.300 nan 0.000 0.654 722 I N -0.060 120.574 120.570 0.106 0.000 2.113 722 I HA -0.394 3.775 4.170 -0.002 0.000 0.242 722 I C 2.298 178.463 176.117 0.080 0.000 1.064 722 I CA 1.560 62.899 61.300 0.066 0.000 1.320 722 I CB -0.379 37.634 38.000 0.021 0.000 1.028 722 I HN 0.385 nan 8.210 nan 0.000 0.406 723 S N -0.084 115.672 115.700 0.093 0.000 2.387 723 S HA -0.089 4.379 4.470 -0.002 0.000 0.226 723 S C 2.056 176.728 174.600 0.119 0.000 1.026 723 S CA 0.899 59.148 58.200 0.082 0.000 0.972 723 S CB -0.088 63.153 63.200 0.068 0.000 0.814 723 S HN 0.208 nan 8.310 nan 0.000 0.477 724 V N 0.651 120.664 119.914 0.166 0.000 2.261 724 V HA -0.240 3.879 4.120 -0.002 0.000 0.246 724 V C 2.546 178.711 176.094 0.118 0.000 1.047 724 V CA 1.788 64.216 62.300 0.214 0.000 1.015 724 V CB -0.796 31.155 31.823 0.213 0.000 0.642 724 V HN 0.698 nan 8.190 nan 0.000 0.446 725 C N 0.501 119.859 119.300 0.096 0.000 2.413 725 C HA -0.195 4.264 4.460 -0.002 0.000 0.277 725 C C 2.768 177.763 174.990 0.008 0.000 1.265 725 C CA 1.757 60.793 59.018 0.030 0.000 1.752 725 C CB -1.621 26.156 27.740 0.062 0.000 1.998 725 C HN 0.706 nan 8.230 nan 0.000 0.489 726 N N 0.778 119.502 118.700 0.040 0.000 2.058 726 N HA -0.124 4.615 4.740 -0.002 0.000 0.191 726 N C 1.296 176.854 175.510 0.081 0.000 1.037 726 N CA 1.785 54.860 53.050 0.041 0.000 0.848 726 N CB -0.490 38.012 38.487 0.025 0.000 1.021 726 N HN 0.555 nan 8.380 nan 0.000 0.422 727 N N 0.944 119.707 118.700 0.105 0.000 2.244 727 N HA -0.025 4.714 4.740 -0.002 0.000 0.183 727 N C 1.588 177.161 175.510 0.105 0.000 1.016 727 N CA 0.977 54.152 53.050 0.209 0.000 0.866 727 N CB -0.503 38.150 38.487 0.276 0.000 0.980 727 N HN 0.296 nan 8.380 nan 0.000 0.430 728 A N 0.461 123.160 122.820 -0.202 0.000 1.845 728 A HA -0.141 4.178 4.320 -0.002 0.000 0.215 728 A C 2.318 179.780 177.584 -0.204 0.000 1.195 728 A CA 2.114 53.845 52.037 -0.509 0.000 0.616 728 A CB -1.292 17.306 19.000 -0.670 0.000 0.832 728 A HN 0.279 nan 8.150 nan 0.000 0.443 729 T N -1.366 113.132 114.554 -0.094 0.000 2.624 729 T HA -0.268 4.080 4.350 -0.002 0.000 0.268 729 T C 1.494 176.205 174.700 0.018 0.000 1.041 729 T CA 1.893 63.974 62.100 -0.031 0.000 1.159 729 T CB -0.479 68.392 68.868 0.006 0.000 0.863 729 T HN 0.737 nan 8.240 nan 0.000 0.434 730 W N 2.077 123.331 121.300 -0.077 0.000 2.338 730 W HA -0.074 4.585 4.660 -0.002 0.000 0.304 730 W C 2.553 179.045 176.519 -0.044 0.000 1.212 730 W CA 1.135 58.449 57.345 -0.051 0.000 1.264 730 W CB -0.684 28.756 29.460 -0.033 0.000 1.142 730 W HN 0.277 nan 8.180 nan 0.000 0.512 731 A N 0.579 123.273 122.820 -0.210 0.000 1.883 731 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 731 A C 1.973 179.364 177.584 -0.321 0.000 1.186 731 A CA 2.125 53.935 52.037 -0.378 0.000 0.624 731 A CB -1.023 17.897 19.000 -0.133 0.000 0.822 731 A HN 0.284 nan 8.150 nan 0.000 0.444 732 I N 0.156 120.602 120.570 -0.206 0.000 2.091 732 I HA -0.258 3.910 4.170 -0.002 0.000 0.239 732 I C 2.742 178.755 176.117 -0.174 0.000 1.061 732 I CA 1.803 63.011 61.300 -0.152 0.000 1.317 732 I CB -2.103 35.834 38.000 -0.105 0.000 1.031 732 I HN 0.359 nan 8.210 nan 0.000 0.401 733 G N 0.458 109.145 108.800 -0.188 0.000 2.442 733 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.219 733 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.219 733 G C 1.555 176.307 174.900 -0.246 0.000 1.141 733 G CA 0.468 45.465 45.100 -0.171 0.000 0.763 733 G HN 0.370 nan 8.290 nan 0.000 0.554 734 E N 0.241 120.189 120.200 -0.421 0.000 2.150 734 E HA -0.025 4.324 4.350 -0.002 0.000 0.193 734 E C 2.608 178.990 176.600 -0.363 0.000 0.985 734 E CA 0.449 56.576 56.400 -0.455 0.000 0.814 734 E CB -0.076 29.165 29.700 -0.764 0.000 0.752 734 E HN 0.551 nan 8.360 nan 0.000 0.466 735 I N 1.189 121.574 120.570 -0.309 0.000 2.233 735 I HA -0.235 3.933 4.170 -0.002 0.000 0.243 735 I C 2.674 178.633 176.117 -0.264 0.000 1.093 735 I CA 1.071 62.201 61.300 -0.283 0.000 1.380 735 I CB -0.417 37.519 38.000 -0.107 0.000 1.067 735 I HN 0.048 nan 8.210 nan 0.000 0.413 736 S N 1.717 117.321 115.700 -0.160 0.000 2.365 736 S HA -0.252 4.217 4.470 -0.002 0.000 0.225 736 S C 2.087 176.631 174.600 -0.094 0.000 1.039 736 S CA 1.379 59.528 58.200 -0.086 0.000 1.033 736 S CB -1.047 62.128 63.200 -0.041 0.000 0.887 736 S HN 0.407 nan 8.310 nan 0.000 0.447 737 I N 1.414 121.911 120.570 -0.122 0.000 2.194 737 I HA -0.225 3.944 4.170 -0.002 0.000 0.246 737 I C 3.057 179.067 176.117 -0.178 0.000 1.093 737 I CA 1.639 62.878 61.300 -0.101 0.000 1.355 737 I CB -0.330 37.601 38.000 -0.115 0.000 1.046 737 I HN 0.402 nan 8.210 nan 0.000 0.413 738 Q N -0.384 119.183 119.800 -0.387 0.000 2.033 738 Q HA -0.086 4.253 4.340 -0.002 0.000 0.196 738 Q C 2.274 178.021 176.000 -0.423 0.000 0.970 738 Q CA 1.199 56.626 55.803 -0.627 0.000 0.828 738 Q CB -0.360 27.464 28.738 -1.524 0.000 0.895 738 Q HN 0.429 nan 8.270 nan 0.000 0.440 739 M N -0.147 119.253 119.600 -0.333 0.000 2.144 739 M HA -0.125 4.354 4.480 -0.002 0.000 0.260 739 M C 1.282 177.609 176.300 0.045 0.000 1.067 739 M CA 1.628 56.952 55.300 0.040 0.000 1.095 739 M CB -1.181 31.484 32.600 0.108 0.000 1.365 739 M HN 0.370 nan 8.290 nan 0.000 0.406 740 G N 0.620 109.418 108.800 -0.004 0.000 2.509 740 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.259 740 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.259 740 G C 0.589 175.504 174.900 0.026 0.000 1.169 740 G CA 0.110 45.219 45.100 0.016 0.000 0.953 740 G HN 0.426 nan 8.290 nan 0.000 0.563 741 I N 1.963 122.544 120.570 0.018 0.000 2.756 741 I HA 0.036 4.205 4.170 -0.002 0.000 0.262 741 I C 2.360 178.500 176.117 0.040 0.000 1.225 741 I CA 1.800 63.108 61.300 0.013 0.000 1.472 741 I CB -0.211 37.785 38.000 -0.006 0.000 1.094 741 I HN 0.605 nan 8.210 nan 0.000 0.454 742 E N -0.078 120.162 120.200 0.067 0.000 2.478 742 E HA -0.149 4.200 4.350 -0.002 0.000 0.198 742 E C 1.882 178.577 176.600 0.158 0.000 1.046 742 E CA 0.359 56.819 56.400 0.101 0.000 0.870 742 E CB -0.006 29.769 29.700 0.124 0.000 0.818 742 E HN 0.437 nan 8.360 nan 0.000 0.527 743 M N 0.932 120.619 119.600 0.146 0.000 2.460 743 M HA -0.156 4.323 4.480 -0.002 0.000 0.263 743 M C 2.152 178.560 176.300 0.179 0.000 1.071 743 M CA 1.144 56.566 55.300 0.205 0.000 1.096 743 M CB -0.530 32.140 32.600 0.117 0.000 1.408 743 M HN 0.186 nan 8.290 nan 0.000 0.463 744 Q N 1.182 121.034 119.800 0.086 0.000 2.124 744 Q HA -0.223 4.116 4.340 -0.002 0.000 0.215 744 Q C -1.071 174.923 176.000 -0.011 0.000 1.015 744 Q CA 2.586 58.408 55.803 0.032 0.000 0.890 744 Q CB -1.627 27.117 28.738 0.010 0.000 0.966 744 Q HN 0.274 nan 8.270 nan 0.000 0.412 745 P HA -0.117 nan 4.420 nan 0.000 0.218 745 P C 0.704 177.861 177.300 -0.239 0.000 1.149 745 P CA 1.405 64.351 63.100 -0.257 0.000 0.817 745 P CB -0.411 30.975 31.700 -0.523 0.000 0.785 746 Y N -1.202 119.122 120.300 0.040 0.000 2.475 746 Y HA -0.032 4.517 4.550 -0.002 0.000 0.289 746 Y C 2.323 178.239 175.900 0.027 0.000 1.121 746 Y CA -0.091 58.035 58.100 0.044 0.000 1.257 746 Y CB -0.754 37.738 38.460 0.053 0.000 1.026 746 Y HN -0.167 nan 8.280 nan 0.000 0.555 747 I N 0.958 121.610 120.570 0.135 0.000 2.113 747 I HA -0.191 3.977 4.170 -0.002 0.000 0.242 747 I C -1.403 174.720 176.117 0.011 0.000 1.064 747 I CA 1.110 62.444 61.300 0.058 0.000 1.320 747 I CB -2.572 35.450 38.000 0.037 0.000 1.028 747 I HN 0.076 nan 8.210 nan 0.000 0.406 748 P HA 0.200 nan 4.420 nan 0.000 0.251 748 P C 0.293 177.735 177.300 0.237 0.000 1.718 748 P CA 0.213 63.373 63.100 0.099 0.000 1.119 748 P CB -0.019 31.777 31.700 0.160 0.000 1.762 749 M N 0.399 120.105 119.600 0.176 0.000 2.267 749 M HA -0.009 4.470 4.480 -0.002 0.000 0.446 749 M C 0.123 176.512 176.300 0.149 0.000 1.044 749 M CA 0.063 55.528 55.300 0.274 0.000 1.122 749 M CB -0.168 32.547 32.600 0.191 0.000 2.372 749 M HN -0.092 nan 8.290 nan 0.000 0.849 750 V N -2.125 117.774 119.914 -0.024 0.000 3.307 750 V HA 0.286 4.405 4.120 -0.002 0.000 0.244 750 V C 1.911 177.899 176.094 -0.177 0.000 1.196 750 V CA 0.255 62.526 62.300 -0.048 0.000 1.132 750 V CB -0.142 31.665 31.823 -0.028 0.000 0.875 750 V HN 0.394 nan 8.190 nan 0.000 0.468 751 L N 1.708 122.697 121.223 -0.391 0.000 2.187 751 L HA -0.097 4.242 4.340 -0.002 0.000 0.213 751 L C 2.672 179.355 176.870 -0.311 0.000 1.100 751 L CA 2.191 56.809 54.840 -0.370 0.000 0.765 751 L CB -1.093 40.751 42.059 -0.357 0.000 0.904 751 L HN 0.537 nan 8.230 nan 0.000 0.437 752 H N -1.481 117.618 119.070 0.049 0.000 2.372 752 H HA -0.017 4.538 4.556 -0.002 0.000 0.301 752 H C 2.052 177.410 175.328 0.050 0.000 1.065 752 H CA 1.397 57.478 56.048 0.054 0.000 1.364 752 H CB -0.310 29.481 29.762 0.049 0.000 1.406 752 H HN 0.461 nan 8.280 nan 0.000 0.521 753 Q N 0.450 120.332 119.800 0.137 0.000 2.079 753 Q HA -0.068 4.271 4.340 -0.002 0.000 0.200 753 Q C 2.410 178.439 176.000 0.048 0.000 0.974 753 Q CA 0.811 56.667 55.803 0.089 0.000 0.840 753 Q CB -0.013 28.771 28.738 0.077 0.000 0.898 753 Q HN 0.141 nan 8.270 nan 0.000 0.430 754 L N -0.355 120.875 121.223 0.011 0.000 2.042 754 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 754 L C 2.161 179.042 176.870 0.019 0.000 1.076 754 L CA 1.345 56.181 54.840 -0.007 0.000 0.749 754 L CB -0.585 41.442 42.059 -0.052 0.000 0.893 754 L HN 0.092 nan 8.230 nan 0.000 0.432 755 V N -1.134 118.808 119.914 0.047 0.000 2.548 755 V HA -0.251 3.868 4.120 -0.002 0.000 0.249 755 V C 2.459 178.617 176.094 0.108 0.000 1.055 755 V CA 1.559 63.926 62.300 0.112 0.000 1.065 755 V CB -0.360 31.564 31.823 0.168 0.000 0.681 755 V HN 0.482 nan 8.190 nan 0.000 0.462 756 E N -0.188 120.066 120.200 0.090 0.000 2.107 756 E HA -0.170 4.179 4.350 -0.002 0.000 0.191 756 E C 2.177 178.813 176.600 0.060 0.000 0.982 756 E CA 1.010 57.456 56.400 0.077 0.000 0.809 756 E CB 0.077 29.823 29.700 0.077 0.000 0.756 756 E HN 0.412 nan 8.360 nan 0.000 0.459 757 I N 0.795 121.395 120.570 0.050 0.000 2.202 757 I HA -0.213 3.956 4.170 -0.002 0.000 0.242 757 I C 2.463 178.601 176.117 0.035 0.000 1.091 757 I CA 0.850 62.170 61.300 0.035 0.000 1.368 757 I CB -0.910 37.103 38.000 0.022 0.000 1.058 757 I HN 0.221 nan 8.210 nan 0.000 0.410 758 I N 1.352 121.950 120.570 0.047 0.000 2.361 758 I HA -0.272 3.897 4.170 -0.002 0.000 0.251 758 I C 1.730 177.886 176.117 0.065 0.000 1.133 758 I CA 1.714 63.048 61.300 0.057 0.000 1.413 758 I CB -0.429 37.627 38.000 0.093 0.000 1.073 758 I HN 0.236 nan 8.210 nan 0.000 0.424 759 N N -0.582 118.163 118.700 0.075 0.000 2.336 759 N HA 0.052 4.791 4.740 -0.002 0.000 0.189 759 N C 0.411 175.948 175.510 0.045 0.000 1.113 759 N CA -0.172 52.919 53.050 0.067 0.000 0.858 759 N CB 0.084 38.621 38.487 0.083 0.000 0.970 759 N HN 0.147 nan 8.380 nan 0.000 0.471 760 R N 1.954 122.476 120.500 0.037 0.000 2.347 760 R HA 0.193 4.531 4.340 -0.002 0.000 0.304 760 R C -2.494 173.815 176.300 0.015 0.000 1.072 760 R CA -1.511 54.604 56.100 0.025 0.000 0.980 760 R CB 0.559 30.872 30.300 0.023 0.000 0.986 760 R HN -0.061 nan 8.270 nan 0.000 0.448 761 P HA 0.038 nan 4.420 nan 0.000 0.276 761 P C -1.068 176.231 177.300 -0.002 0.000 1.261 761 P CA -0.376 62.727 63.100 0.004 0.000 0.800 761 P CB 0.453 32.157 31.700 0.007 0.000 1.066 762 N N -0.758 117.938 118.700 -0.007 0.000 2.614 762 N HA -0.109 4.630 4.740 -0.002 0.000 0.276 762 N C -1.052 174.450 175.510 -0.014 0.000 1.119 762 N CA 0.818 53.861 53.050 -0.011 0.000 0.742 762 N CB -0.953 37.527 38.487 -0.012 0.000 0.900 762 N HN 0.433 nan 8.380 nan 0.000 0.549 763 T N 1.025 115.570 114.554 -0.015 0.000 2.928 763 T HA 0.367 4.716 4.350 -0.002 0.000 0.296 763 T C -2.450 172.236 174.700 -0.023 0.000 1.000 763 T CA -0.915 61.175 62.100 -0.016 0.000 0.989 763 T CB 2.396 71.258 68.868 -0.011 0.000 1.005 763 T HN -0.040 nan 8.240 nan 0.000 0.442 764 P HA 0.045 nan 4.420 nan 0.000 0.263 764 P C 1.055 178.333 177.300 -0.037 0.000 1.175 764 P CA -0.118 62.964 63.100 -0.029 0.000 0.761 764 P CB 0.763 32.447 31.700 -0.026 0.000 0.794 765 K N 1.888 122.263 120.400 -0.042 0.000 2.032 765 K HA -0.252 4.067 4.320 -0.002 0.000 0.218 765 K C 1.626 178.189 176.600 -0.061 0.000 1.054 765 K CA 2.596 58.851 56.287 -0.053 0.000 0.941 765 K CB -0.648 31.819 32.500 -0.054 0.000 0.720 765 K HN 0.649 nan 8.250 nan 0.000 0.449 766 T N 0.077 114.597 114.554 -0.057 0.000 2.833 766 T HA -0.163 4.185 4.350 -0.002 0.000 0.269 766 T C 1.835 176.503 174.700 -0.055 0.000 1.054 766 T CA 1.144 63.207 62.100 -0.062 0.000 1.135 766 T CB -0.253 68.578 68.868 -0.062 0.000 0.869 766 T HN 0.192 nan 8.240 nan 0.000 0.466 767 L N 0.354 121.552 121.223 -0.041 0.000 2.023 767 L HA 0.178 4.517 4.340 -0.002 0.000 0.205 767 L C 2.236 179.083 176.870 -0.038 0.000 1.073 767 L CA 1.316 56.139 54.840 -0.029 0.000 0.745 767 L CB -1.117 40.932 42.059 -0.016 0.000 0.900 767 L HN 0.120 nan 8.230 nan 0.000 0.435 768 L N 0.135 121.329 121.223 -0.047 0.000 1.997 768 L HA -0.287 4.052 4.340 -0.002 0.000 0.216 768 L C 2.594 179.403 176.870 -0.102 0.000 1.074 768 L CA 1.985 56.788 54.840 -0.061 0.000 0.763 768 L CB -1.202 40.819 42.059 -0.063 0.000 0.890 768 L HN 0.416 nan 8.230 nan 0.000 0.434 769 E N -1.142 118.988 120.200 -0.117 0.000 2.070 769 E HA -0.254 4.095 4.350 -0.002 0.000 0.197 769 E C 2.014 178.532 176.600 -0.135 0.000 1.004 769 E CA 1.266 57.569 56.400 -0.160 0.000 0.805 769 E CB -0.231 29.387 29.700 -0.136 0.000 0.744 769 E HN 0.432 nan 8.360 nan 0.000 0.451 770 N N -0.036 118.621 118.700 -0.071 0.000 2.244 770 N HA -0.075 4.663 4.740 -0.002 0.000 0.183 770 N C 1.677 177.182 175.510 -0.008 0.000 1.016 770 N CA 1.163 54.207 53.050 -0.010 0.000 0.866 770 N CB -0.009 38.494 38.487 0.026 0.000 0.980 770 N HN 0.103 nan 8.380 nan 0.000 0.430 771 T N 0.416 114.949 114.554 -0.036 0.000 2.737 771 T HA -0.007 4.342 4.350 -0.002 0.000 0.265 771 T C 1.936 176.605 174.700 -0.052 0.000 1.038 771 T CA 1.274 63.353 62.100 -0.035 0.000 1.144 771 T CB -0.325 68.526 68.868 -0.028 0.000 0.866 771 T HN 0.302 nan 8.240 nan 0.000 0.434 772 A N 1.049 123.797 122.820 -0.119 0.000 1.933 772 A HA 0.001 4.320 4.320 -0.002 0.000 0.218 772 A C 2.287 179.792 177.584 -0.131 0.000 1.175 772 A CA 1.119 53.024 52.037 -0.220 0.000 0.628 772 A CB -0.807 17.804 19.000 -0.648 0.000 0.814 772 A HN 0.510 nan 8.150 nan 0.000 0.444 773 I N -0.597 119.891 120.570 -0.137 0.000 2.286 773 I HA -0.209 3.959 4.170 -0.002 0.000 0.248 773 I C 2.546 178.685 176.117 0.036 0.000 1.115 773 I CA 1.695 62.974 61.300 -0.036 0.000 1.392 773 I CB -0.326 37.664 38.000 -0.016 0.000 1.065 773 I HN 0.266 nan 8.210 nan 0.000 0.418 774 T N 1.129 115.690 114.554 0.011 0.000 2.737 774 T HA -0.084 4.265 4.350 -0.002 0.000 0.265 774 T C 1.991 176.684 174.700 -0.012 0.000 1.038 774 T CA 0.933 63.027 62.100 -0.011 0.000 1.144 774 T CB -0.071 68.777 68.868 -0.033 0.000 0.866 774 T HN 0.078 nan 8.240 nan 0.000 0.434 775 I N 1.864 122.418 120.570 -0.027 0.000 2.074 775 I HA -0.223 3.946 4.170 -0.002 0.000 0.238 775 I C 2.936 179.019 176.117 -0.056 0.000 1.037 775 I CA 2.041 63.262 61.300 -0.131 0.000 1.301 775 I CB -1.854 35.984 38.000 -0.269 0.000 1.016 775 I HN 0.340 nan 8.210 nan 0.000 0.400 776 G N 0.351 109.248 108.800 0.161 0.000 2.505 776 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.220 776 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.220 776 G C 1.927 176.907 174.900 0.134 0.000 1.145 776 G CA 0.878 46.094 45.100 0.193 0.000 0.761 776 G HN 0.362 nan 8.290 nan 0.000 0.571 777 R N -0.443 120.116 120.500 0.099 0.000 2.115 777 R HA 0.105 4.444 4.340 -0.002 0.000 0.230 777 R C 2.651 179.003 176.300 0.087 0.000 1.111 777 R CA 0.765 56.911 56.100 0.076 0.000 0.976 777 R CB -0.306 30.002 30.300 0.014 0.000 0.870 777 R HN 0.368 nan 8.270 nan 0.000 0.445 778 L N -1.102 120.145 121.223 0.040 0.000 2.027 778 L HA -0.036 4.303 4.340 -0.002 0.000 0.206 778 L C 2.520 179.421 176.870 0.051 0.000 1.074 778 L CA 1.380 56.237 54.840 0.028 0.000 0.745 778 L CB -0.710 41.341 42.059 -0.012 0.000 0.898 778 L HN 0.313 nan 8.230 nan 0.000 0.433 779 G N -1.350 107.479 108.800 0.049 0.000 2.470 779 G HA2 -0.320 3.638 3.960 -0.002 0.000 0.220 779 G HA3 -0.320 3.638 3.960 -0.002 0.000 0.220 779 G C 1.441 176.400 174.900 0.098 0.000 1.121 779 G CA 0.495 45.632 45.100 0.062 0.000 0.766 779 G HN 0.313 nan 8.290 nan 0.000 0.553 780 Y N 1.464 121.770 120.300 0.010 0.000 2.153 780 Y HA -0.091 4.457 4.550 -0.002 0.000 0.289 780 Y C 2.808 178.712 175.900 0.006 0.000 1.127 780 Y CA 1.896 60.005 58.100 0.014 0.000 1.131 780 Y CB -0.205 38.270 38.460 0.025 0.000 0.995 780 Y HN 0.104 nan 8.280 nan 0.000 0.505 781 V N -3.411 116.533 119.914 0.050 0.000 2.649 781 V HA -0.005 4.114 4.120 -0.002 0.000 0.248 781 V C 0.931 177.000 176.094 -0.040 0.000 1.054 781 V CA 0.921 63.200 62.300 -0.034 0.000 1.073 781 V CB -0.843 31.005 31.823 0.041 0.000 0.699 781 V HN 0.377 nan 8.190 nan 0.000 0.463 782 C N 2.306 121.603 119.300 -0.006 0.000 3.276 782 C HA 0.497 4.956 4.460 -0.002 0.000 0.226 782 C C -0.805 174.186 174.990 0.003 0.000 1.502 782 C CA -0.525 58.492 59.018 -0.002 0.000 1.488 782 C CB 0.255 28.007 27.740 0.019 0.000 2.014 782 C HN 0.434 nan 8.230 nan 0.000 0.492 783 P HA -0.196 nan 4.420 nan 0.000 0.216 783 P C 1.551 178.858 177.300 0.012 0.000 1.150 783 P CA 1.620 64.721 63.100 0.002 0.000 0.837 783 P CB 0.274 31.962 31.700 -0.021 0.000 0.786 784 Q N 0.284 120.085 119.800 0.003 0.000 2.096 784 Q HA -0.184 4.155 4.340 -0.002 0.000 0.204 784 Q C 2.099 178.111 176.000 0.020 0.000 0.982 784 Q CA 1.698 57.505 55.803 0.008 0.000 0.850 784 Q CB -0.653 28.085 28.738 0.001 0.000 0.901 784 Q HN 0.383 nan 8.270 nan 0.000 0.422 785 E N -0.616 119.598 120.200 0.024 0.000 2.076 785 E HA -0.066 4.282 4.350 -0.002 0.000 0.190 785 E C 2.143 178.774 176.600 0.051 0.000 0.979 785 E CA 0.854 57.275 56.400 0.035 0.000 0.807 785 E CB 0.008 29.726 29.700 0.031 0.000 0.761 785 E HN 0.096 nan 8.360 nan 0.000 0.454 786 V N 0.871 120.818 119.914 0.056 0.000 2.407 786 V HA -0.113 4.006 4.120 -0.002 0.000 0.245 786 V C 2.240 178.424 176.094 0.149 0.000 1.041 786 V CA 1.390 63.747 62.300 0.096 0.000 1.040 786 V CB -0.922 30.941 31.823 0.066 0.000 0.671 786 V HN 0.293 nan 8.190 nan 0.000 0.455 787 A N 1.235 124.111 122.820 0.094 0.000 1.903 787 A HA -0.178 4.141 4.320 -0.002 0.000 0.219 787 A C 0.320 177.921 177.584 0.028 0.000 1.191 787 A CA 2.375 54.452 52.037 0.067 0.000 0.638 787 A CB -2.071 16.945 19.000 0.028 0.000 0.823 787 A HN 0.556 nan 8.150 nan 0.000 0.451 788 P HA -0.012 nan 4.420 nan 0.000 0.244 788 P C 0.711 178.006 177.300 -0.008 0.000 1.211 788 P CA 0.896 63.999 63.100 0.005 0.000 0.760 788 P CB -0.076 31.636 31.700 0.019 0.000 0.961 789 M N -2.514 117.087 119.600 0.001 0.000 2.346 789 M HA 0.103 4.581 4.480 -0.002 0.000 0.280 789 M C 1.102 177.176 176.300 -0.378 0.000 1.075 789 M CA -0.240 55.040 55.300 -0.033 0.000 0.989 789 M CB -0.061 32.639 32.600 0.166 0.000 1.447 789 M HN -0.082 nan 8.290 nan 0.000 0.511 790 L N 1.073 122.005 121.223 -0.485 0.000 2.021 790 L HA -0.274 4.065 4.340 -0.002 0.000 0.215 790 L C 2.335 178.797 176.870 -0.679 0.000 1.074 790 L CA 2.184 56.516 54.840 -0.846 0.000 0.760 790 L CB -0.487 41.334 42.059 -0.396 0.000 0.889 790 L HN 0.356 nan 8.230 nan 0.000 0.433 791 Q N -1.499 118.107 119.800 -0.325 0.000 2.181 791 Q HA -0.271 4.068 4.340 -0.002 0.000 0.205 791 Q C 2.248 178.164 176.000 -0.139 0.000 0.980 791 Q CA 1.873 57.576 55.803 -0.167 0.000 0.862 791 Q CB -0.066 28.627 28.738 -0.076 0.000 0.905 791 Q HN 0.618 nan 8.270 nan 0.000 0.429 792 Q N -0.921 118.774 119.800 -0.175 0.000 2.096 792 Q HA -0.098 4.241 4.340 -0.002 0.000 0.197 792 Q C 1.468 177.490 176.000 0.036 0.000 0.964 792 Q CA 1.219 57.000 55.803 -0.037 0.000 0.838 792 Q CB 0.132 28.890 28.738 0.032 0.000 0.906 792 Q HN 0.536 nan 8.270 nan 0.000 0.444 793 F N -2.063 117.919 119.950 0.054 0.000 2.695 793 F HA 0.235 4.761 4.527 -0.002 0.000 0.303 793 F C 1.526 177.386 175.800 0.100 0.000 1.091 793 F CA -0.444 57.601 58.000 0.075 0.000 1.300 793 F CB -0.228 38.815 39.000 0.073 0.000 1.071 793 F HN -0.080 nan 8.300 nan 0.000 0.578 794 I N 2.065 122.632 120.570 -0.006 0.000 2.226 794 I HA -0.218 3.951 4.170 -0.002 0.000 0.245 794 I C 2.143 178.408 176.117 0.247 0.000 1.100 794 I CA 1.467 62.834 61.300 0.112 0.000 1.374 794 I CB -0.283 37.695 38.000 -0.037 0.000 1.057 794 I HN 0.237 nan 8.210 nan 0.000 0.413 795 R N 1.427 122.037 120.500 0.183 0.000 2.070 795 R HA -0.104 4.235 4.340 -0.002 0.000 0.233 795 R C -0.415 175.827 176.300 -0.096 0.000 1.137 795 R CA 1.801 57.925 56.100 0.039 0.000 0.945 795 R CB -2.138 28.210 30.300 0.079 0.000 0.845 795 R HN 0.404 nan 8.270 nan 0.000 0.430 796 P HA -0.177 nan 4.420 nan 0.000 0.218 796 P C 0.895 178.246 177.300 0.085 0.000 1.152 796 P CA 0.896 64.008 63.100 0.020 0.000 0.826 796 P CB -0.208 31.530 31.700 0.064 0.000 0.790 797 W N 0.913 122.228 121.300 0.024 0.000 2.302 797 W HA -0.283 4.376 4.660 -0.002 0.000 0.320 797 W C 2.382 178.887 176.519 -0.024 0.000 1.241 797 W CA 2.024 59.381 57.345 0.020 0.000 1.264 797 W CB -1.003 28.536 29.460 0.131 0.000 1.154 797 W HN -0.021 nan 8.180 nan 0.000 0.483 798 C N -0.493 119.033 119.300 0.376 0.000 2.436 798 C HA -0.227 4.232 4.460 -0.002 0.000 0.277 798 C C 2.843 177.843 174.990 0.017 0.000 1.241 798 C CA 2.199 61.363 59.018 0.243 0.000 1.721 798 C CB -1.686 26.227 27.740 0.287 0.000 2.043 798 C HN 0.562 nan 8.230 nan 0.000 0.472 799 T N -1.029 113.471 114.554 -0.091 0.000 2.946 799 T HA -0.159 4.190 4.350 -0.002 0.000 0.271 799 T C 1.669 176.305 174.700 -0.107 0.000 1.104 799 T CA 1.802 63.823 62.100 -0.131 0.000 1.114 799 T CB -0.375 68.365 68.868 -0.215 0.000 0.867 799 T HN 0.538 nan 8.240 nan 0.000 0.513 800 S N 0.354 115.977 115.700 -0.128 0.000 2.371 800 S HA 0.155 4.624 4.470 -0.002 0.000 0.219 800 S C 1.684 176.162 174.600 -0.203 0.000 1.040 800 S CA 0.047 58.148 58.200 -0.165 0.000 0.958 800 S CB -0.305 62.777 63.200 -0.196 0.000 0.860 800 S HN 0.320 nan 8.310 nan 0.000 0.487 801 L N 2.552 123.597 121.223 -0.298 0.000 2.418 801 L HA 0.271 4.610 4.340 -0.002 0.000 0.218 801 L C 2.282 179.071 176.870 -0.136 0.000 1.125 801 L CA 0.925 55.581 54.840 -0.307 0.000 0.835 801 L CB -0.675 41.004 42.059 -0.634 0.000 0.953 801 L HN 0.471 nan 8.230 nan 0.000 0.454 802 R N -1.337 119.119 120.500 -0.073 0.000 2.241 802 R HA -0.051 4.288 4.340 -0.002 0.000 0.224 802 R C 1.282 177.522 176.300 -0.101 0.000 1.101 802 R CA 1.222 57.294 56.100 -0.047 0.000 0.995 802 R CB -0.536 29.763 30.300 -0.002 0.000 0.870 802 R HN 0.236 nan 8.270 nan 0.000 0.463 803 N N 1.178 119.814 118.700 -0.108 0.000 2.353 803 N HA 0.096 4.835 4.740 -0.002 0.000 0.185 803 N C 0.589 176.025 175.510 -0.124 0.000 1.098 803 N CA 0.267 53.254 53.050 -0.104 0.000 0.872 803 N CB 0.347 38.782 38.487 -0.087 0.000 0.970 803 N HN 0.431 nan 8.380 nan 0.000 0.467 804 I N -1.011 119.467 120.570 -0.153 0.000 2.499 804 I HA 0.343 4.512 4.170 -0.002 0.000 0.296 804 I C 0.527 176.518 176.117 -0.209 0.000 0.992 804 I CA -0.941 60.264 61.300 -0.160 0.000 1.297 804 I CB 1.258 39.166 38.000 -0.154 0.000 1.410 804 I HN -0.248 nan 8.210 nan 0.000 0.507 805 R N 3.519 123.915 120.500 -0.173 0.000 2.679 805 R HA 0.045 4.384 4.340 -0.002 0.000 0.268 805 R C -0.488 175.648 176.300 -0.272 0.000 1.044 805 R CA -0.197 55.790 56.100 -0.187 0.000 1.105 805 R CB 0.345 30.579 30.300 -0.110 0.000 0.989 805 R HN 0.645 nan 8.270 nan 0.000 0.447 806 D N 3.562 123.763 120.400 -0.333 0.000 2.479 806 D HA -0.006 4.632 4.640 -0.002 0.000 0.253 806 D C -0.510 175.736 176.300 -0.091 0.000 1.278 806 D CA 0.534 54.276 54.000 -0.429 0.000 1.145 806 D CB -0.447 40.225 40.800 -0.214 0.000 1.118 806 D HN 0.484 nan 8.370 nan 0.000 0.513 807 N N -0.945 117.720 118.700 -0.058 0.000 2.890 807 N HA 0.195 4.934 4.740 -0.002 0.000 0.317 807 N C 0.883 176.471 175.510 0.131 0.000 1.355 807 N CA -0.781 52.300 53.050 0.052 0.000 0.803 807 N CB 0.797 39.292 38.487 0.014 0.000 1.465 807 N HN -0.217 nan 8.380 nan 0.000 0.591 808 E N -0.266 119.999 120.200 0.109 0.000 2.070 808 E HA -0.220 4.129 4.350 -0.002 0.000 0.197 808 E C 1.088 177.762 176.600 0.122 0.000 1.004 808 E CA 1.701 58.168 56.400 0.113 0.000 0.805 808 E CB -0.169 29.578 29.700 0.078 0.000 0.744 808 E HN 0.593 nan 8.360 nan 0.000 0.451 809 E N 0.324 120.586 120.200 0.102 0.000 2.085 809 E HA -0.228 4.121 4.350 -0.002 0.000 0.194 809 E C 2.117 178.797 176.600 0.133 0.000 0.994 809 E CA 1.168 57.627 56.400 0.099 0.000 0.801 809 E CB -0.262 29.482 29.700 0.074 0.000 0.743 809 E HN 0.280 nan 8.360 nan 0.000 0.453 810 K N 0.927 121.422 120.400 0.158 0.000 2.025 810 K HA -0.159 4.159 4.320 -0.002 0.000 0.207 810 K C 2.082 179.089 176.600 0.679 0.000 1.049 810 K CA 1.438 57.901 56.287 0.293 0.000 0.933 810 K CB -0.050 32.464 32.500 0.022 0.000 0.714 810 K HN 0.042 nan 8.250 nan 0.000 0.438 811 D N -0.115 120.672 120.400 0.647 0.000 2.097 811 D HA -0.174 4.465 4.640 -0.002 0.000 0.195 811 D C 1.856 178.319 176.300 0.272 0.000 0.989 811 D CA 1.334 55.647 54.000 0.521 0.000 0.827 811 D CB -0.012 40.972 40.800 0.307 0.000 0.966 811 D HN 0.133 nan 8.370 nan 0.000 0.456 812 S N -0.142 115.650 115.700 0.154 0.000 2.368 812 S HA -0.228 4.241 4.470 -0.002 0.000 0.226 812 S C 2.155 176.799 174.600 0.072 0.000 1.044 812 S CA 2.186 60.389 58.200 0.005 0.000 1.062 812 S CB -0.444 62.759 63.200 0.005 0.000 0.931 812 S HN 0.441 nan 8.310 nan 0.000 0.440 813 A N -0.302 122.649 122.820 0.218 0.000 1.930 813 A HA 0.122 4.441 4.320 -0.002 0.000 0.217 813 A C 1.912 179.771 177.584 0.458 0.000 1.175 813 A CA 1.242 53.455 52.037 0.294 0.000 0.627 813 A CB -0.881 18.220 19.000 0.168 0.000 0.815 813 A HN 0.612 nan 8.150 nan 0.000 0.443 814 F N -0.239 120.022 119.950 0.518 0.000 2.259 814 F HA -0.014 4.512 4.527 -0.002 0.000 0.298 814 F C 2.513 178.486 175.800 0.287 0.000 1.088 814 F CA 1.108 59.452 58.000 0.573 0.000 1.358 814 F CB -0.115 39.298 39.000 0.689 0.000 1.040 814 F HN 0.089 nan 8.300 nan 0.000 0.505 815 R N -0.074 120.596 120.500 0.283 0.000 2.091 815 R HA -0.150 4.189 4.340 -0.002 0.000 0.238 815 R C 2.539 179.012 176.300 0.289 0.000 1.136 815 R CA 1.303 57.486 56.100 0.137 0.000 0.959 815 R CB -1.127 29.072 30.300 -0.167 0.000 0.856 815 R HN 0.396 nan 8.270 nan 0.000 0.437 816 G N 1.013 109.963 108.800 0.251 0.000 2.402 816 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 816 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 816 G C 1.376 176.362 174.900 0.143 0.000 1.162 816 G CA 0.120 45.385 45.100 0.276 0.000 0.777 816 G HN 0.143 nan 8.290 nan 0.000 0.539 817 I N 0.587 121.203 120.570 0.077 0.000 2.439 817 I HA -0.059 4.110 4.170 -0.002 0.000 0.251 817 I C 2.510 178.654 176.117 0.044 0.000 1.139 817 I CA 0.701 61.941 61.300 -0.101 0.000 1.438 817 I CB -0.517 37.214 38.000 -0.448 0.000 1.085 817 I HN 0.182 nan 8.210 nan 0.000 0.427 818 C N 0.361 119.768 119.300 0.179 0.000 2.457 818 C HA -0.112 4.347 4.460 -0.002 0.000 0.278 818 C C 2.768 177.793 174.990 0.059 0.000 1.309 818 C CA 1.380 60.481 59.018 0.138 0.000 1.735 818 C CB -0.973 26.861 27.740 0.157 0.000 1.992 818 C HN 0.515 nan 8.230 nan 0.000 0.493 819 T N 0.895 115.502 114.554 0.089 0.000 2.737 819 T HA -0.164 4.185 4.350 -0.002 0.000 0.265 819 T C 1.772 176.480 174.700 0.014 0.000 1.038 819 T CA 1.374 63.500 62.100 0.044 0.000 1.144 819 T CB -0.299 68.594 68.868 0.042 0.000 0.866 819 T HN 0.463 nan 8.240 nan 0.000 0.434 820 M N 0.215 119.826 119.600 0.019 0.000 2.267 820 M HA -0.005 4.474 4.480 -0.002 0.000 0.263 820 M C 2.041 178.324 176.300 -0.029 0.000 1.063 820 M CA 1.398 56.700 55.300 0.003 0.000 1.090 820 M CB -0.516 32.098 32.600 0.024 0.000 1.392 820 M HN 0.250 nan 8.290 nan 0.000 0.422 821 I N -0.661 119.872 120.570 -0.062 0.000 2.277 821 I HA -0.200 3.969 4.170 -0.002 0.000 0.243 821 I C 2.366 178.476 176.117 -0.012 0.000 1.094 821 I CA 1.233 62.475 61.300 -0.096 0.000 1.393 821 I CB -0.318 37.526 38.000 -0.260 0.000 1.078 821 I HN 0.292 nan 8.210 nan 0.000 0.417 822 S N -0.255 115.444 115.700 -0.002 0.000 2.595 822 S HA 0.001 4.469 4.470 -0.002 0.000 0.235 822 S C 1.441 176.057 174.600 0.028 0.000 0.974 822 S CA 0.398 58.619 58.200 0.036 0.000 0.942 822 S CB -0.183 63.031 63.200 0.024 0.000 0.766 822 S HN 0.240 nan 8.310 nan 0.000 0.536 823 V N 1.127 121.050 119.914 0.016 0.000 2.911 823 V HA 0.289 4.407 4.120 -0.002 0.000 0.237 823 V C 0.979 177.080 176.094 0.013 0.000 1.156 823 V CA 0.624 62.929 62.300 0.009 0.000 1.180 823 V CB -0.080 31.743 31.823 -0.000 0.000 0.932 823 V HN 0.666 nan 8.190 nan 0.000 0.483 824 N N 0.726 119.433 118.700 0.011 0.000 2.918 824 N HA 0.189 4.928 4.740 -0.002 0.000 0.270 824 N C -2.297 173.232 175.510 0.031 0.000 1.536 824 N CA -1.295 51.760 53.050 0.009 0.000 0.877 824 N CB 1.890 40.371 38.487 -0.011 0.000 1.190 824 N HN 0.159 nan 8.380 nan 0.000 0.492 825 P HA -0.006 nan 4.420 nan 0.000 0.225 825 P C 1.072 178.469 177.300 0.161 0.000 1.148 825 P CA 0.791 64.023 63.100 0.220 0.000 0.779 825 P CB 0.386 32.256 31.700 0.282 0.000 0.780 826 S N -0.173 115.559 115.700 0.054 0.000 2.368 826 S HA -0.092 4.377 4.470 -0.002 0.000 0.225 826 S C 2.179 176.791 174.600 0.019 0.000 1.030 826 S CA 1.539 59.752 58.200 0.022 0.000 0.999 826 S CB -1.470 61.727 63.200 -0.005 0.000 0.844 826 S HN 0.297 nan 8.310 nan 0.000 0.459 827 G N -0.007 108.788 108.800 -0.009 0.000 2.708 827 G HA2 0.017 3.976 3.960 -0.002 0.000 0.210 827 G HA3 0.017 3.976 3.960 -0.002 0.000 0.210 827 G C 1.100 175.964 174.900 -0.059 0.000 1.141 827 G CA 0.556 45.622 45.100 -0.057 0.000 0.788 827 G HN 0.433 nan 8.290 nan 0.000 0.531 828 V N -0.252 119.666 119.914 0.007 0.000 3.572 828 V HA 0.299 4.418 4.120 -0.002 0.000 0.260 828 V C 2.018 178.221 176.094 0.182 0.000 1.324 828 V CA -0.125 62.197 62.300 0.037 0.000 1.068 828 V CB 0.155 31.934 31.823 -0.073 0.000 0.837 828 V HN 0.242 nan 8.190 nan 0.000 0.450 829 I N 0.714 121.397 120.570 0.188 0.000 2.493 829 I HA -0.151 4.018 4.170 -0.002 0.000 0.254 829 I C 2.338 178.547 176.117 0.152 0.000 1.160 829 I CA 1.474 62.893 61.300 0.198 0.000 1.445 829 I CB -0.411 37.654 38.000 0.108 0.000 1.086 829 I HN 0.440 nan 8.210 nan 0.000 0.433 830 Q N 0.812 120.681 119.800 0.116 0.000 1.975 830 Q HA -0.177 4.161 4.340 -0.002 0.000 0.205 830 Q C 0.270 176.356 176.000 0.145 0.000 0.990 830 Q CA 1.416 57.281 55.803 0.102 0.000 0.845 830 Q CB -0.506 28.277 28.738 0.076 0.000 0.913 830 Q HN 0.556 nan 8.270 nan 0.000 0.420 831 D N 0.066 120.571 120.400 0.175 0.000 3.133 831 D HA 0.112 4.751 4.640 -0.002 0.000 0.288 831 D C 0.321 176.787 176.300 0.276 0.000 1.346 831 D CA -0.192 53.919 54.000 0.184 0.000 0.934 831 D CB -0.274 40.687 40.800 0.267 0.000 1.042 831 D HN 0.064 nan 8.370 nan 0.000 0.506 832 F N 1.012 121.072 119.950 0.183 0.000 2.367 832 F HA 0.033 4.559 4.527 -0.002 0.000 0.298 832 F C 1.935 178.014 175.800 0.465 0.000 1.094 832 F CA 0.372 58.537 58.000 0.276 0.000 1.409 832 F CB 0.131 39.233 39.000 0.170 0.000 1.064 832 F HN 0.111 nan 8.300 nan 0.000 0.528 833 I N -0.775 120.103 120.570 0.514 0.000 2.194 833 I HA -0.368 3.801 4.170 -0.002 0.000 0.246 833 I C 1.954 178.182 176.117 0.185 0.000 1.093 833 I CA 1.692 63.184 61.300 0.319 0.000 1.355 833 I CB -0.347 37.602 38.000 -0.086 0.000 1.046 833 I HN 0.006 nan 8.210 nan 0.000 0.413 834 F N 0.362 120.443 119.950 0.218 0.000 2.186 834 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 834 F C 2.178 178.067 175.800 0.148 0.000 1.090 834 F CA 1.307 59.407 58.000 0.167 0.000 1.307 834 F CB -1.338 37.766 39.000 0.172 0.000 1.019 834 F HN 0.150 nan 8.300 nan 0.000 0.489 835 F N 0.131 120.147 119.950 0.109 0.000 2.134 835 F HA -0.223 4.303 4.527 -0.002 0.000 0.299 835 F C 2.425 178.143 175.800 -0.136 0.000 1.097 835 F CA 1.153 59.109 58.000 -0.073 0.000 1.264 835 F CB -0.770 37.986 39.000 -0.406 0.000 1.001 835 F HN -0.032 nan 8.300 nan 0.000 0.479 836 C N 0.356 119.579 119.300 -0.130 0.000 2.398 836 C HA -0.244 4.215 4.460 -0.002 0.000 0.276 836 C C 2.575 177.469 174.990 -0.160 0.000 1.222 836 C CA 1.680 60.618 59.018 -0.133 0.000 1.746 836 C CB -1.326 26.506 27.740 0.153 0.000 2.039 836 C HN 0.601 nan 8.230 nan 0.000 0.470 837 D N 0.547 120.949 120.400 0.003 0.000 2.104 837 D HA -0.108 4.531 4.640 -0.002 0.000 0.194 837 D C 2.152 178.444 176.300 -0.013 0.000 0.994 837 D CA 1.756 55.775 54.000 0.032 0.000 0.830 837 D CB -0.211 40.691 40.800 0.169 0.000 0.959 837 D HN 0.407 nan 8.370 nan 0.000 0.452 838 A N -0.422 122.410 122.820 0.019 0.000 2.015 838 A HA -0.064 4.255 4.320 -0.002 0.000 0.219 838 A C 2.355 179.894 177.584 -0.075 0.000 1.163 838 A CA 1.238 53.336 52.037 0.102 0.000 0.646 838 A CB -0.375 18.843 19.000 0.363 0.000 0.806 838 A HN 0.241 nan 8.150 nan 0.000 0.448 839 V N -0.658 119.023 119.914 -0.388 0.000 2.535 839 V HA -0.087 4.032 4.120 -0.002 0.000 0.246 839 V C 2.938 178.878 176.094 -0.256 0.000 1.045 839 V CA 1.356 63.243 62.300 -0.689 0.000 1.058 839 V CB -0.870 30.197 31.823 -1.260 0.000 0.689 839 V HN 0.563 nan 8.190 nan 0.000 0.461 840 A N 0.958 123.692 122.820 -0.143 0.000 2.024 840 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 840 A C 2.507 180.114 177.584 0.040 0.000 1.164 840 A CA 2.134 54.173 52.037 0.004 0.000 0.643 840 A CB -0.660 18.310 19.000 -0.051 0.000 0.806 840 A HN 0.686 nan 8.150 nan 0.000 0.451 841 S N -1.990 113.691 115.700 -0.031 0.000 2.447 841 S HA -0.111 4.358 4.470 -0.002 0.000 0.233 841 S C 0.438 174.983 174.600 -0.092 0.000 1.006 841 S CA -0.034 58.117 58.200 -0.080 0.000 0.957 841 S CB -0.566 62.544 63.200 -0.149 0.000 0.773 841 S HN 0.517 nan 8.310 nan 0.000 0.507 842 W N 0.516 121.747 121.300 -0.115 0.000 2.181 842 W HA 0.460 5.118 4.660 -0.002 0.000 0.335 842 W C 0.825 177.415 176.519 0.118 0.000 1.310 842 W CA -0.603 56.712 57.345 -0.051 0.000 1.226 842 W CB 0.399 29.789 29.460 -0.116 0.000 1.155 842 W HN 0.097 nan 8.180 nan 0.000 0.565 843 I N 1.672 122.461 120.570 0.366 0.000 3.971 843 I HA 0.041 4.210 4.170 -0.002 0.000 0.303 843 I C 0.394 176.752 176.117 0.402 0.000 1.233 843 I CA 0.457 61.952 61.300 0.325 0.000 1.346 843 I CB 0.047 38.130 38.000 0.139 0.000 1.273 843 I HN 0.429 nan 8.210 nan 0.000 0.448 844 N N 1.451 120.387 118.700 0.394 0.000 2.791 844 N HA 0.268 5.007 4.740 -0.002 0.000 0.265 844 N C -2.619 173.100 175.510 0.348 0.000 1.580 844 N CA -1.352 51.896 53.050 0.330 0.000 0.809 844 N CB 1.006 39.625 38.487 0.220 0.000 1.178 844 N HN -0.074 nan 8.380 nan 0.000 0.499 845 P HA 0.129 nan 4.420 nan 0.000 0.278 845 P C -0.705 176.511 177.300 -0.139 0.000 1.238 845 P CA -0.180 62.814 63.100 -0.177 0.000 0.794 845 P CB 1.249 32.694 31.700 -0.425 0.000 0.955 846 K N 1.500 121.782 120.400 -0.197 0.000 2.414 846 K HA -0.009 4.310 4.320 -0.002 0.000 0.272 846 K C 1.303 177.805 176.600 -0.163 0.000 0.993 846 K CA -0.128 56.082 56.287 -0.129 0.000 0.964 846 K CB 0.297 32.726 32.500 -0.118 0.000 0.925 846 K HN 0.454 nan 8.250 nan 0.000 0.487 847 D N 2.558 122.901 120.400 -0.094 0.000 2.154 847 D HA -0.243 4.396 4.640 -0.002 0.000 0.190 847 D C 1.317 177.544 176.300 -0.121 0.000 1.003 847 D CA 2.149 56.099 54.000 -0.084 0.000 0.849 847 D CB 0.141 40.915 40.800 -0.043 0.000 0.942 847 D HN 0.662 nan 8.370 nan 0.000 0.446 848 D N 0.912 121.238 120.400 -0.124 0.000 2.097 848 D HA -0.180 4.459 4.640 -0.002 0.000 0.195 848 D C 2.388 178.549 176.300 -0.232 0.000 0.989 848 D CA 0.482 54.402 54.000 -0.134 0.000 0.827 848 D CB -1.050 39.693 40.800 -0.095 0.000 0.966 848 D HN 0.240 nan 8.370 nan 0.000 0.456 849 L N 0.307 121.326 121.223 -0.340 0.000 2.079 849 L HA -0.107 4.232 4.340 -0.002 0.000 0.210 849 L C 2.581 178.937 176.870 -0.856 0.000 1.081 849 L CA 1.449 55.907 54.840 -0.635 0.000 0.752 849 L CB -0.423 41.200 42.059 -0.726 0.000 0.896 849 L HN -0.065 nan 8.230 nan 0.000 0.433 850 R N -0.383 119.822 120.500 -0.493 0.000 2.096 850 R HA -0.155 4.183 4.340 -0.002 0.000 0.235 850 R C 1.768 178.024 176.300 -0.074 0.000 1.127 850 R CA 1.758 57.725 56.100 -0.222 0.000 0.968 850 R CB -0.435 29.765 30.300 -0.166 0.000 0.861 850 R HN 0.480 nan 8.270 nan 0.000 0.440 851 D N 0.389 120.718 120.400 -0.118 0.000 2.097 851 D HA -0.174 4.465 4.640 -0.002 0.000 0.195 851 D C 1.992 178.251 176.300 -0.068 0.000 0.989 851 D CA 1.343 55.311 54.000 -0.053 0.000 0.827 851 D CB -0.278 40.486 40.800 -0.060 0.000 0.966 851 D HN 0.256 nan 8.370 nan 0.000 0.456 852 M N -0.277 119.214 119.600 -0.182 0.000 2.195 852 M HA -0.166 4.313 4.480 -0.002 0.000 0.260 852 M C 1.860 178.137 176.300 -0.039 0.000 1.066 852 M CA 1.099 56.306 55.300 -0.155 0.000 1.089 852 M CB -0.240 32.205 32.600 -0.258 0.000 1.377 852 M HN -0.047 nan 8.290 nan 0.000 0.411 853 F N -0.371 119.525 119.950 -0.090 0.000 2.206 853 F HA -0.136 4.390 4.527 -0.002 0.000 0.298 853 F C 2.598 178.303 175.800 -0.158 0.000 1.090 853 F CA 0.351 58.232 58.000 -0.199 0.000 1.323 853 F CB -1.417 37.239 39.000 -0.574 0.000 1.028 853 F HN 0.199 nan 8.300 nan 0.000 0.492 854 C N 0.299 119.686 119.300 0.144 0.000 2.455 854 C HA -0.197 4.262 4.460 -0.002 0.000 0.281 854 C C 2.738 177.863 174.990 0.225 0.000 1.237 854 C CA 0.927 60.088 59.018 0.238 0.000 1.726 854 C CB -0.928 26.943 27.740 0.218 0.000 2.068 854 C HN 0.342 nan 8.230 nan 0.000 0.466 855 K N 0.808 121.283 120.400 0.126 0.000 2.049 855 K HA -0.209 4.110 4.320 -0.002 0.000 0.219 855 K C 1.623 178.321 176.600 0.163 0.000 1.056 855 K CA 1.880 58.234 56.287 0.112 0.000 0.946 855 K CB -0.539 32.000 32.500 0.064 0.000 0.723 855 K HN 0.348 nan 8.250 nan 0.000 0.453 856 I N 0.563 121.205 120.570 0.120 0.000 2.099 856 I HA -0.269 3.900 4.170 -0.002 0.000 0.239 856 I C 2.281 178.489 176.117 0.153 0.000 1.066 856 I CA 1.576 62.880 61.300 0.006 0.000 1.324 856 I CB -1.164 36.830 38.000 -0.011 0.000 1.037 856 I HN 0.174 nan 8.210 nan 0.000 0.401 857 L N -0.565 120.813 121.223 0.257 0.000 2.046 857 L HA -0.256 4.083 4.340 -0.002 0.000 0.208 857 L C 2.674 179.563 176.870 0.032 0.000 1.077 857 L CA 1.439 56.434 54.840 0.259 0.000 0.747 857 L CB -0.648 41.502 42.059 0.152 0.000 0.896 857 L HN 0.283 nan 8.230 nan 0.000 0.432 858 H N -1.065 118.018 119.070 0.021 0.000 2.307 858 H HA -0.051 4.504 4.556 -0.002 0.000 0.303 858 H C 2.219 177.542 175.328 -0.007 0.000 1.073 858 H CA 1.434 57.451 56.048 -0.052 0.000 1.338 858 H CB -0.494 29.258 29.762 -0.018 0.000 1.389 858 H HN 0.259 nan 8.280 nan 0.000 0.503 859 G N -0.204 108.744 108.800 0.247 0.000 2.475 859 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.220 859 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.220 859 G C 0.441 175.433 174.900 0.154 0.000 1.125 859 G CA 0.795 46.032 45.100 0.228 0.000 0.755 859 G HN 0.266 nan 8.290 nan 0.000 0.565 860 F N -0.040 119.798 119.950 -0.188 0.000 2.837 860 F HA 0.434 4.960 4.527 -0.002 0.000 0.298 860 F C 1.519 177.083 175.800 -0.394 0.000 1.161 860 F CA -0.730 57.049 58.000 -0.369 0.000 1.353 860 F CB 0.442 39.045 39.000 -0.661 0.000 0.951 860 F HN 0.140 nan 8.300 nan 0.000 0.508 861 K N 0.906 121.218 120.400 -0.146 0.000 2.431 861 K HA 0.046 4.365 4.320 -0.002 0.000 0.213 861 K C 1.428 177.944 176.600 -0.141 0.000 1.258 861 K CA 0.524 56.674 56.287 -0.228 0.000 0.845 861 K CB -0.073 32.038 32.500 -0.649 0.000 1.498 861 K HN 0.243 nan 8.250 nan 0.000 0.451 862 N N 0.800 119.420 118.700 -0.133 0.000 2.571 862 N HA -0.123 4.616 4.740 -0.002 0.000 0.189 862 N C 1.342 176.800 175.510 -0.086 0.000 1.154 862 N CA 0.193 53.196 53.050 -0.079 0.000 0.907 862 N CB 0.214 38.674 38.487 -0.046 0.000 0.977 862 N HN 0.218 nan 8.380 nan 0.000 0.449 863 Q N 0.831 120.552 119.800 -0.131 0.000 2.424 863 Q HA 0.100 4.439 4.340 -0.002 0.000 0.204 863 Q C 1.113 177.021 176.000 -0.153 0.000 0.933 863 Q CA 0.315 56.010 55.803 -0.180 0.000 0.929 863 Q CB 0.577 29.121 28.738 -0.323 0.000 1.037 863 Q HN 0.282 nan 8.270 nan 0.000 0.511 864 V N -1.059 118.789 119.914 -0.109 0.000 3.398 864 V HA 0.322 4.441 4.120 -0.002 0.000 0.298 864 V C 0.165 176.255 176.094 -0.007 0.000 1.496 864 V CA 0.663 62.923 62.300 -0.067 0.000 1.044 864 V CB 0.591 32.365 31.823 -0.083 0.000 0.880 864 V HN 0.426 nan 8.190 nan 0.000 0.443 865 G N 0.567 109.363 108.800 -0.006 0.000 2.758 865 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.686 865 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.686 865 G C -0.014 174.937 174.900 0.085 0.000 1.389 865 G CA 0.015 45.129 45.100 0.024 0.000 0.845 865 G HN 0.240 nan 8.290 nan 0.000 0.572 866 D N 0.116 120.567 120.400 0.084 0.000 2.219 866 D HA -0.072 4.567 4.640 -0.002 0.000 0.205 866 D C 2.121 178.539 176.300 0.197 0.000 0.970 866 D CA 1.247 55.337 54.000 0.150 0.000 0.851 866 D CB 0.148 41.010 40.800 0.104 0.000 0.943 866 D HN 0.481 nan 8.370 nan 0.000 0.488 867 E N 1.220 121.495 120.200 0.126 0.000 2.017 867 E HA -0.122 4.227 4.350 -0.002 0.000 0.193 867 E C 1.802 178.471 176.600 0.114 0.000 0.997 867 E CA 0.785 57.246 56.400 0.102 0.000 0.804 867 E CB -0.276 29.461 29.700 0.062 0.000 0.757 867 E HN 0.251 nan 8.360 nan 0.000 0.448 868 N N 0.468 119.236 118.700 0.113 0.000 2.244 868 N HA -0.148 4.591 4.740 -0.002 0.000 0.183 868 N C 1.557 177.169 175.510 0.171 0.000 1.016 868 N CA 0.638 53.752 53.050 0.106 0.000 0.866 868 N CB -0.591 37.935 38.487 0.066 0.000 0.980 868 N HN 0.381 nan 8.380 nan 0.000 0.430 869 W N 2.846 124.178 121.300 0.053 0.000 2.333 869 W HA -0.139 4.520 4.660 -0.002 0.000 0.316 869 W C 2.035 178.668 176.519 0.191 0.000 1.215 869 W CA 1.181 58.598 57.345 0.120 0.000 1.278 869 W CB -0.317 29.193 29.460 0.082 0.000 1.154 869 W HN 0.057 nan 8.180 nan 0.000 0.486 870 R N 0.798 121.358 120.500 0.100 0.000 2.091 870 R HA -0.208 4.131 4.340 -0.002 0.000 0.238 870 R C 2.441 178.671 176.300 -0.117 0.000 1.136 870 R CA 2.109 58.194 56.100 -0.024 0.000 0.959 870 R CB -0.394 29.966 30.300 0.100 0.000 0.856 870 R HN 0.231 nan 8.270 nan 0.000 0.437 871 R N -0.770 119.699 120.500 -0.051 0.000 2.092 871 R HA -0.133 4.206 4.340 -0.002 0.000 0.231 871 R C 2.211 178.422 176.300 -0.148 0.000 1.119 871 R CA 1.518 57.574 56.100 -0.074 0.000 0.970 871 R CB -0.498 29.793 30.300 -0.016 0.000 0.864 871 R HN 0.252 nan 8.270 nan 0.000 0.440 872 F N 1.943 121.709 119.950 -0.307 0.000 2.293 872 F HA -0.149 4.377 4.527 -0.002 0.000 0.300 872 F C 2.122 177.471 175.800 -0.752 0.000 1.086 872 F CA 1.437 59.191 58.000 -0.410 0.000 1.375 872 F CB 0.013 38.846 39.000 -0.280 0.000 1.045 872 F HN -0.033 nan 8.300 nan 0.000 0.516 873 S N -1.349 113.906 115.700 -0.741 0.000 2.603 873 S HA -0.057 4.412 4.470 -0.002 0.000 0.220 873 S C 1.334 175.542 174.600 -0.653 0.000 0.967 873 S CA 0.583 58.264 58.200 -0.865 0.000 0.920 873 S CB -0.485 62.431 63.200 -0.473 0.000 0.773 873 S HN 0.339 nan 8.310 nan 0.000 0.529 874 D N 2.274 122.363 120.400 -0.518 0.000 2.264 874 D HA -0.045 4.594 4.640 -0.002 0.000 0.208 874 D C 1.922 177.997 176.300 -0.374 0.000 0.966 874 D CA 0.937 54.741 54.000 -0.328 0.000 0.864 874 D CB -0.266 40.398 40.800 -0.227 0.000 0.933 874 D HN 0.577 nan 8.370 nan 0.000 0.499 875 Q N -0.518 118.903 119.800 -0.632 0.000 2.230 875 Q HA -0.017 4.322 4.340 -0.002 0.000 0.202 875 Q C 0.054 175.849 176.000 -0.343 0.000 0.963 875 Q CA 0.366 55.855 55.803 -0.523 0.000 0.866 875 Q CB 0.013 28.345 28.738 -0.677 0.000 0.931 875 Q HN 0.196 nan 8.270 nan 0.000 0.452 876 F N 1.732 121.566 119.950 -0.193 0.000 2.484 876 F HA 0.201 4.726 4.527 -0.002 0.000 0.360 876 F C -1.715 174.043 175.800 -0.070 0.000 1.101 876 F CA -3.238 54.689 58.000 -0.121 0.000 1.251 876 F CB -0.463 38.474 39.000 -0.105 0.000 1.132 876 F HN -0.080 nan 8.300 nan 0.000 0.570 877 P HA 0.012 nan 4.420 nan 0.000 0.272 877 P C 1.239 178.587 177.300 0.080 0.000 1.230 877 P CA -0.508 62.640 63.100 0.081 0.000 0.788 877 P CB 0.757 32.493 31.700 0.060 0.000 0.949 878 L N 3.342 124.595 121.223 0.050 0.000 2.010 878 L HA -0.162 4.177 4.340 -0.002 0.000 0.219 878 L C -0.848 176.044 176.870 0.036 0.000 1.077 878 L CA 3.022 57.887 54.840 0.043 0.000 0.773 878 L CB -2.364 39.711 42.059 0.026 0.000 0.892 878 L HN 0.343 nan 8.230 nan 0.000 0.436 879 P HA -0.179 nan 4.420 nan 0.000 0.215 879 P C 1.804 179.111 177.300 0.011 0.000 1.153 879 P CA 1.172 64.279 63.100 0.012 0.000 0.853 879 P CB -0.103 31.602 31.700 0.008 0.000 0.788 880 L N 0.286 121.519 121.223 0.016 0.000 2.007 880 L HA -0.029 4.310 4.340 -0.002 0.000 0.205 880 L C 2.204 179.044 176.870 -0.050 0.000 1.073 880 L CA 2.096 56.921 54.840 -0.025 0.000 0.744 880 L CB -1.658 40.382 42.059 -0.033 0.000 0.898 880 L HN -0.276 nan 8.230 nan 0.000 0.435 881 K N 0.047 120.469 120.400 0.036 0.000 2.127 881 K HA -0.257 4.062 4.320 -0.002 0.000 0.208 881 K C 2.059 178.712 176.600 0.088 0.000 1.047 881 K CA 1.985 58.336 56.287 0.106 0.000 0.927 881 K CB -0.289 32.327 32.500 0.193 0.000 0.716 881 K HN 0.460 nan 8.250 nan 0.000 0.450 882 E N -0.562 119.672 120.200 0.057 0.000 2.299 882 E HA 0.049 4.398 4.350 -0.002 0.000 0.193 882 E C 1.743 178.357 176.600 0.023 0.000 0.998 882 E CA 0.354 56.780 56.400 0.044 0.000 0.851 882 E CB 0.104 29.817 29.700 0.021 0.000 0.795 882 E HN 0.137 nan 8.360 nan 0.000 0.492 883 R N -0.115 120.398 120.500 0.020 0.000 2.075 883 R HA -0.101 4.238 4.340 -0.002 0.000 0.230 883 R C 1.981 178.346 176.300 0.109 0.000 1.140 883 R CA 1.042 57.161 56.100 0.032 0.000 0.928 883 R CB -0.770 29.572 30.300 0.070 0.000 0.834 883 R HN 0.210 nan 8.270 nan 0.000 0.429 884 L N 0.604 121.932 121.223 0.175 0.000 2.083 884 L HA -0.070 4.269 4.340 -0.002 0.000 0.209 884 L C 2.512 179.557 176.870 0.291 0.000 1.083 884 L CA 1.801 56.852 54.840 0.351 0.000 0.752 884 L CB -1.082 41.151 42.059 0.290 0.000 0.899 884 L HN 0.188 nan 8.230 nan 0.000 0.433 885 A N -0.706 122.241 122.820 0.211 0.000 1.908 885 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 885 A C 2.455 180.112 177.584 0.122 0.000 1.181 885 A CA 2.057 54.205 52.037 0.184 0.000 0.627 885 A CB -0.798 18.297 19.000 0.159 0.000 0.818 885 A HN 0.399 nan 8.150 nan 0.000 0.445 886 A N -2.162 120.693 122.820 0.058 0.000 1.903 886 A HA 0.218 4.537 4.320 -0.002 0.000 0.213 886 A C 2.096 179.672 177.584 -0.013 0.000 1.185 886 A CA 0.994 53.024 52.037 -0.013 0.000 0.628 886 A CB -0.490 18.446 19.000 -0.107 0.000 0.830 886 A HN 0.523 nan 8.150 nan 0.000 0.446 887 F N -1.902 117.914 119.950 -0.222 0.000 2.219 887 F HA -0.052 4.473 4.527 -0.002 0.000 0.294 887 F C 1.370 176.853 175.800 -0.529 0.000 1.086 887 F CA 0.846 58.526 58.000 -0.532 0.000 1.330 887 F CB 0.328 38.706 39.000 -1.038 0.000 1.047 887 F HN 0.320 nan 8.300 nan 0.000 0.495 888 Y N -0.648 119.836 120.300 0.307 0.000 2.557 888 Y HA 0.375 4.924 4.550 -0.002 0.000 0.247 888 Y C 1.044 177.104 175.900 0.267 0.000 1.164 888 Y CA -0.013 58.229 58.100 0.236 0.000 1.218 888 Y CB 0.454 39.031 38.460 0.196 0.000 1.210 888 Y HN 0.047 nan 8.280 nan 0.000 0.529 889 G N 1.153 110.131 108.800 0.298 0.000 2.289 889 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.280 889 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.280 889 G C 0.050 175.045 174.900 0.159 0.000 1.089 889 G CA -0.124 45.125 45.100 0.250 0.000 0.939 889 G HN 0.473 nan 8.290 nan 0.000 0.499 890 V N 0.000 120.030 119.914 0.194 0.000 2.409 890 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 890 V CA 0.000 62.443 62.300 0.238 0.000 1.235 890 V CB 0.000 31.996 31.823 0.288 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556