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 3lc6_1_B DATA FIRST_RESID 2 DATA SEQUENCE PRGLELLIAQ TILQGFDAQY GRFLEVTSGA QQRFEQADWH AVQQAMKNRI DATA SEQUENCE HLYDHHVGLV VEQLRCITNG QSTDAEFLLR VKEHYTRLLP DYPRFEIAES DATA SEQUENCE FFNSVYCRLX DHRSLTPERL FIFSSQPXXX XXTIPRPLAK DFHPDHGWES DATA SEQUENCE LLMRVISDLP LRLHWQNKSR DIHYIIRHLT ETLGPENLSK SHLQVANELF DATA SEQUENCE YRNKAAWLVG KLITPSGTLP FLLPIHQTDD GELFIDTCLT TTAEASIVFG DATA SEQUENCE FARSYFMVYA PLPAALVEWL REILPGKTTA ELYMAIGCQK HAKTESYREY DATA SEQUENCE LVYLQGCNEQ FIEAPGIRGM VMLVFTLPGF DRVFKVIKDK FXXXXXXXXA DATA SEQUENCE HVRACYQLVK EHDRVGRMAD TQEFENFVLE KRHISPALME LLLQEAAEKI DATA SEQUENCE TDLGEQIVIR HLYIERRMVP LNIWLEQVEG QQLRDAIEEY GNAIRQLAAA DATA SEQUENCE NIFPGDMLFK NFGVTRHGRV VFYDYDEICY MTEVNFRDIX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXG DVFPEEFRHW LCADPRIGPL FEEMHADLFR ADYWRALQNR DATA SEQUENCE IREGHVEDVY AYRRRQRFSV RYG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.333 177.300 0.054 0.000 1.155 2 P CA 0.000 63.133 63.100 0.055 0.000 0.800 2 P CB 0.000 31.743 31.700 0.072 0.000 0.726 3 R N 1.014 121.537 120.500 0.039 0.000 2.891 3 R HA 0.626 4.874 4.340 -0.153 0.000 0.248 3 R C 0.686 177.011 176.300 0.041 0.000 1.439 3 R CA 0.041 56.163 56.100 0.036 0.000 1.288 3 R CB 0.658 30.973 30.300 0.025 0.000 1.212 3 R HN 0.272 nan 8.270 nan 0.000 0.605 4 G N 0.632 109.470 108.800 0.065 0.000 3.137 4 G HA2 0.243 4.111 3.960 -0.153 0.000 0.196 4 G HA3 0.243 4.111 3.960 -0.153 0.000 0.196 4 G C 0.084 175.067 174.900 0.138 0.000 1.135 4 G CA -0.648 44.510 45.100 0.097 0.000 0.803 4 G HN 0.180 nan 8.290 nan 0.000 0.619 5 L N 0.395 121.785 121.223 0.277 0.000 2.638 5 L HA 0.260 4.508 4.340 -0.153 0.000 0.232 5 L C 2.207 179.136 176.870 0.099 0.000 1.099 5 L CA 0.578 55.558 54.840 0.233 0.000 0.883 5 L CB -1.024 41.245 42.059 0.350 0.000 1.136 5 L HN 0.631 nan 8.230 nan 0.000 0.492 6 E N 1.824 122.131 120.200 0.179 0.000 2.065 6 E HA -0.236 4.022 4.350 -0.153 0.000 0.201 6 E C 2.146 178.566 176.600 -0.300 0.000 1.016 6 E CA 1.807 58.207 56.400 -0.001 0.000 0.818 6 E CB -0.249 29.556 29.700 0.175 0.000 0.749 6 E HN 0.364 nan 8.360 nan 0.000 0.453 7 L N 0.188 121.221 121.223 -0.316 0.000 2.168 7 L HA 0.113 4.361 4.340 -0.153 0.000 0.203 7 L C 2.362 179.155 176.870 -0.128 0.000 1.078 7 L CA 1.106 55.739 54.840 -0.345 0.000 0.780 7 L CB -1.618 40.295 42.059 -0.243 0.000 0.939 7 L HN 0.160 nan 8.230 nan 0.000 0.451 8 L N 0.965 122.155 121.223 -0.055 0.000 2.013 8 L HA -0.212 4.036 4.340 -0.153 0.000 0.212 8 L C 2.608 179.476 176.870 -0.004 0.000 1.073 8 L CA 2.149 56.985 54.840 -0.008 0.000 0.753 8 L CB -0.699 41.373 42.059 0.022 0.000 0.890 8 L HN 0.351 nan 8.230 nan 0.000 0.432 9 I N -0.909 119.645 120.570 -0.027 0.000 2.233 9 I HA -0.176 3.902 4.170 -0.153 0.000 0.243 9 I C 2.347 178.483 176.117 0.032 0.000 1.093 9 I CA 1.412 62.697 61.300 -0.025 0.000 1.380 9 I CB -0.254 37.672 38.000 -0.123 0.000 1.067 9 I HN 0.306 nan 8.210 nan 0.000 0.413 10 A N 0.585 123.429 122.820 0.040 0.000 2.015 10 A HA -0.234 3.994 4.320 -0.153 0.000 0.219 10 A C 2.160 179.860 177.584 0.194 0.000 1.163 10 A CA 1.674 53.835 52.037 0.206 0.000 0.646 10 A CB -0.659 18.471 19.000 0.216 0.000 0.806 10 A HN 0.777 nan 8.150 nan 0.000 0.448 11 Q N -1.941 117.909 119.800 0.083 0.000 2.392 11 Q HA 0.061 4.309 4.340 -0.153 0.000 0.203 11 Q C 1.202 177.256 176.000 0.090 0.000 0.917 11 Q CA 1.052 56.895 55.803 0.067 0.000 0.939 11 Q CB -0.453 28.305 28.738 0.034 0.000 1.063 11 Q HN 0.355 nan 8.270 nan 0.000 0.516 12 T N 1.261 115.872 114.554 0.095 0.000 2.985 12 T HA 0.067 4.325 4.350 -0.153 0.000 0.266 12 T C 1.716 176.511 174.700 0.159 0.000 1.076 12 T CA 0.713 62.873 62.100 0.099 0.000 1.135 12 T CB -0.029 68.881 68.868 0.069 0.000 0.890 12 T HN 0.266 nan 8.240 nan 0.000 0.480 13 I N 0.364 121.068 120.570 0.224 0.000 2.235 13 I HA 0.011 4.089 4.170 -0.153 0.000 0.241 13 I C 1.988 178.342 176.117 0.395 0.000 1.085 13 I CA 0.741 62.264 61.300 0.371 0.000 1.378 13 I CB -0.265 37.995 38.000 0.434 0.000 1.076 13 I HN 0.111 nan 8.210 nan 0.000 0.415 14 L N 0.561 121.933 121.223 0.249 0.000 2.633 14 L HA -0.136 4.112 4.340 -0.153 0.000 0.235 14 L C 2.156 179.121 176.870 0.158 0.000 1.163 14 L CA 1.411 56.284 54.840 0.055 0.000 0.859 14 L CB -0.528 41.410 42.059 -0.200 0.000 0.973 14 L HN 0.275 nan 8.230 nan 0.000 0.451 15 Q N -1.917 117.963 119.800 0.134 0.000 2.287 15 Q HA 0.033 4.281 4.340 -0.153 0.000 0.201 15 Q C 2.077 178.090 176.000 0.022 0.000 0.946 15 Q CA 0.747 56.602 55.803 0.087 0.000 0.868 15 Q CB -0.126 28.662 28.738 0.084 0.000 0.967 15 Q HN 0.472 nan 8.270 nan 0.000 0.516 16 G N 0.684 109.528 108.800 0.074 0.000 2.485 16 G HA2 -0.304 3.564 3.960 -0.153 0.000 0.221 16 G HA3 -0.304 3.564 3.960 -0.153 0.000 0.221 16 G C 1.147 175.819 174.900 -0.381 0.000 1.115 16 G CA 0.859 46.005 45.100 0.078 0.000 0.751 16 G HN 0.460 nan 8.290 nan 0.000 0.567 17 F N 1.583 121.050 119.950 -0.805 0.000 2.075 17 F HA -0.027 4.406 4.527 -0.156 0.000 0.297 17 F C 1.890 177.312 175.800 -0.631 0.000 1.113 17 F CA 1.948 59.198 58.000 -1.250 0.000 1.218 17 F CB -0.154 38.259 39.000 -0.977 0.000 0.984 17 F HN 0.153 nan 8.300 nan 0.000 0.472 18 D N 0.109 119.989 120.400 -0.867 0.000 2.346 18 D HA 0.103 4.651 4.640 -0.153 0.000 0.206 18 D C 2.178 178.239 176.300 -0.399 0.000 1.001 18 D CA 0.898 54.446 54.000 -0.754 0.000 0.871 18 D CB -0.004 40.575 40.800 -0.368 0.000 0.943 18 D HN 0.353 nan 8.370 nan 0.000 0.518 19 A N 0.420 123.060 122.820 -0.301 0.000 1.978 19 A HA -0.209 4.019 4.320 -0.153 0.000 0.220 19 A C 2.083 179.431 177.584 -0.393 0.000 1.170 19 A CA 1.417 53.349 52.037 -0.175 0.000 0.636 19 A CB -0.471 18.534 19.000 0.008 0.000 0.810 19 A HN 0.249 nan 8.150 nan 0.000 0.448 20 Q N -1.829 117.480 119.800 -0.818 0.000 2.033 20 Q HA -0.146 4.102 4.340 -0.153 0.000 0.196 20 Q C 1.998 177.742 176.000 -0.427 0.000 0.970 20 Q CA 1.651 56.821 55.803 -1.056 0.000 0.828 20 Q CB -0.334 27.767 28.738 -1.061 0.000 0.895 20 Q HN 0.697 nan 8.270 nan 0.000 0.440 21 Y N 0.521 120.477 120.300 -0.573 0.000 2.220 21 Y HA -0.027 4.429 4.550 -0.157 0.000 0.291 21 Y C 2.144 177.957 175.900 -0.145 0.000 1.129 21 Y CA 1.786 59.664 58.100 -0.371 0.000 1.161 21 Y CB -0.584 37.556 38.460 -0.534 0.000 0.997 21 Y HN 0.232 nan 8.280 nan 0.000 0.522 22 G N -0.243 108.474 108.800 -0.139 0.000 2.450 22 G HA2 -0.294 3.574 3.960 -0.153 0.000 0.220 22 G HA3 -0.294 3.574 3.960 -0.153 0.000 0.220 22 G C 1.813 176.663 174.900 -0.082 0.000 1.130 22 G CA 0.779 45.815 45.100 -0.107 0.000 0.760 22 G HN 0.341 nan 8.290 nan 0.000 0.557 23 R N -0.931 119.536 120.500 -0.055 0.000 2.275 23 R HA 0.114 4.362 4.340 -0.153 0.000 0.199 23 R C 1.926 178.232 176.300 0.010 0.000 0.989 23 R CA 0.017 56.117 56.100 0.001 0.000 1.016 23 R CB -0.240 30.094 30.300 0.057 0.000 0.918 23 R HN 0.367 nan 8.270 nan 0.000 0.473 24 F N 0.828 120.639 119.950 -0.232 0.000 2.186 24 F HA -0.075 4.354 4.527 -0.164 0.000 0.299 24 F C 1.516 177.134 175.800 -0.302 0.000 1.090 24 F CA 1.327 59.158 58.000 -0.282 0.000 1.307 24 F CB 0.101 38.793 39.000 -0.513 0.000 1.019 24 F HN -0.046 nan 8.300 nan 0.000 0.489 25 L N -0.589 120.473 121.223 -0.269 0.000 2.446 25 L HA -0.019 4.229 4.340 -0.153 0.000 0.219 25 L C 2.093 178.996 176.870 0.054 0.000 1.116 25 L CA 0.501 55.187 54.840 -0.257 0.000 0.844 25 L CB -0.550 41.165 42.059 -0.574 0.000 0.970 25 L HN 0.075 nan 8.230 nan 0.000 0.457 26 E N -0.087 120.113 120.200 -0.001 0.000 2.110 26 E HA -0.170 4.088 4.350 -0.153 0.000 0.193 26 E C 2.221 178.809 176.600 -0.020 0.000 0.988 26 E CA 1.188 57.602 56.400 0.023 0.000 0.804 26 E CB 0.101 29.805 29.700 0.007 0.000 0.745 26 E HN 0.268 nan 8.360 nan 0.000 0.458 27 V N 0.707 120.578 119.914 -0.073 0.000 2.446 27 V HA -0.147 3.881 4.120 -0.153 0.000 0.244 27 V C 2.140 178.153 176.094 -0.136 0.000 1.039 27 V CA 1.753 63.990 62.300 -0.105 0.000 1.045 27 V CB -0.278 31.470 31.823 -0.125 0.000 0.681 27 V HN 0.300 nan 8.190 nan 0.000 0.459 28 T N 0.337 114.773 114.554 -0.195 0.000 2.897 28 T HA -0.159 4.099 4.350 -0.153 0.000 0.271 28 T C 1.814 176.483 174.700 -0.052 0.000 1.084 28 T CA 1.747 63.736 62.100 -0.184 0.000 1.123 28 T CB -0.234 68.454 68.868 -0.299 0.000 0.865 28 T HN 0.666 nan 8.240 nan 0.000 0.496 29 S N 0.244 115.950 115.700 0.009 0.000 2.511 29 S HA 0.277 4.655 4.470 -0.153 0.000 0.214 29 S C 2.073 176.571 174.600 -0.171 0.000 0.997 29 S CA 0.227 58.366 58.200 -0.102 0.000 0.908 29 S CB -0.019 63.042 63.200 -0.232 0.000 0.803 29 S HN 0.437 nan 8.310 nan 0.000 0.504 30 G N 0.696 109.420 108.800 -0.128 0.000 2.848 30 G HA2 0.381 4.249 3.960 -0.153 0.000 0.208 30 G HA3 0.381 4.249 3.960 -0.153 0.000 0.208 30 G C 1.264 176.080 174.900 -0.140 0.000 1.152 30 G CA 0.388 45.416 45.100 -0.120 0.000 0.789 30 G HN 0.664 nan 8.290 nan 0.000 0.531 31 A N 0.479 123.177 122.820 -0.202 0.000 1.930 31 A HA 0.012 4.240 4.320 -0.153 0.000 0.215 31 A C 2.176 179.584 177.584 -0.293 0.000 1.176 31 A CA 1.657 53.566 52.037 -0.213 0.000 0.632 31 A CB -0.362 18.507 19.000 -0.218 0.000 0.819 31 A HN 0.445 nan 8.150 nan 0.000 0.445 32 Q N -0.222 119.232 119.800 -0.577 0.000 2.096 32 Q HA -0.321 3.927 4.340 -0.153 0.000 0.204 32 Q C 2.133 178.145 176.000 0.020 0.000 0.982 32 Q CA 2.220 57.812 55.803 -0.352 0.000 0.850 32 Q CB -0.263 28.293 28.738 -0.303 0.000 0.901 32 Q HN 0.743 nan 8.270 nan 0.000 0.422 33 Q N -0.729 119.023 119.800 -0.080 0.000 2.224 33 Q HA -0.117 4.131 4.340 -0.153 0.000 0.203 33 Q C 1.610 177.552 176.000 -0.098 0.000 0.970 33 Q CA 1.062 56.819 55.803 -0.078 0.000 0.865 33 Q CB 0.219 28.905 28.738 -0.086 0.000 0.922 33 Q HN 0.180 nan 8.270 nan 0.000 0.445 34 R N -0.729 119.729 120.500 -0.069 0.000 2.223 34 R HA 0.051 4.299 4.340 -0.153 0.000 0.198 34 R C 1.746 177.982 176.300 -0.107 0.000 0.984 34 R CA 0.468 56.513 56.100 -0.091 0.000 1.018 34 R CB -0.542 29.727 30.300 -0.052 0.000 0.945 34 R HN 0.408 nan 8.270 nan 0.000 0.479 35 F N 1.905 121.807 119.950 -0.079 0.000 2.163 35 F HA -0.014 4.422 4.527 -0.153 0.000 0.297 35 F C 2.102 177.837 175.800 -0.108 0.000 1.094 35 F CA 1.371 59.383 58.000 0.019 0.000 1.290 35 F CB -0.266 38.913 39.000 0.299 0.000 1.017 35 F HN 0.021 nan 8.300 nan 0.000 0.483 36 E N 0.188 120.036 120.200 -0.587 0.000 2.038 36 E HA -0.281 3.977 4.350 -0.153 0.000 0.195 36 E C 2.167 178.465 176.600 -0.502 0.000 1.000 36 E CA 1.739 57.746 56.400 -0.655 0.000 0.803 36 E CB -0.400 29.154 29.700 -0.243 0.000 0.750 36 E HN 0.638 nan 8.360 nan 0.000 0.448 37 Q N -0.827 118.749 119.800 -0.373 0.000 2.291 37 Q HA -0.091 4.157 4.340 -0.153 0.000 0.205 37 Q C 1.080 176.783 176.000 -0.495 0.000 0.970 37 Q CA 0.975 56.573 55.803 -0.342 0.000 0.876 37 Q CB 0.116 28.706 28.738 -0.246 0.000 0.935 37 Q HN 0.493 nan 8.270 nan 0.000 0.455 38 A N 1.450 123.817 122.820 -0.755 0.000 3.028 38 A HA -0.158 4.070 4.320 -0.153 0.000 0.248 38 A C 0.262 177.167 177.584 -1.130 0.000 1.316 38 A CA 0.818 52.031 52.037 -1.374 0.000 1.003 38 A CB -1.966 16.357 19.000 -1.129 0.000 1.148 38 A HN 0.449 nan 8.150 nan 0.000 0.828 39 D N -0.125 119.896 120.400 -0.631 0.000 2.545 39 D HA 0.156 4.704 4.640 -0.153 0.000 0.227 39 D C 0.747 176.917 176.300 -0.216 0.000 1.150 39 D CA -0.204 53.600 54.000 -0.328 0.000 1.046 39 D CB -0.261 40.430 40.800 -0.181 0.000 1.098 39 D HN 0.535 nan 8.370 nan 0.000 0.502 40 W N 1.200 122.427 121.300 -0.123 0.000 3.003 40 W HA 0.024 4.592 4.660 -0.153 0.000 0.257 40 W C 1.541 178.004 176.519 -0.093 0.000 1.308 40 W CA -0.158 57.126 57.345 -0.102 0.000 1.529 40 W CB -0.507 28.882 29.460 -0.119 0.000 1.115 40 W HN 0.604 nan 8.180 nan 0.000 0.659 41 H N 0.634 119.794 119.070 0.149 0.000 2.253 41 H HA -0.155 4.308 4.556 -0.155 0.000 0.296 41 H C 2.467 177.820 175.328 0.041 0.000 1.074 41 H CA 2.312 58.400 56.048 0.066 0.000 1.263 41 H CB -0.400 29.379 29.762 0.028 0.000 1.363 41 H HN -0.022 nan 8.280 nan 0.000 0.489 42 A N 0.640 123.554 122.820 0.157 0.000 1.958 42 A HA -0.209 4.019 4.320 -0.153 0.000 0.221 42 A C 2.572 180.195 177.584 0.065 0.000 1.178 42 A CA 1.882 53.961 52.037 0.071 0.000 0.642 42 A CB -1.041 17.977 19.000 0.029 0.000 0.816 42 A HN 0.266 nan 8.150 nan 0.000 0.453 43 V N -0.789 119.190 119.914 0.109 0.000 2.568 43 V HA -0.294 3.734 4.120 -0.153 0.000 0.253 43 V C 2.509 178.644 176.094 0.068 0.000 1.072 43 V CA 2.358 64.732 62.300 0.123 0.000 1.084 43 V CB -0.674 31.304 31.823 0.259 0.000 0.676 43 V HN 0.669 nan 8.190 nan 0.000 0.469 44 Q N -1.124 118.711 119.800 0.057 0.000 2.398 44 Q HA -0.000 4.248 4.340 -0.153 0.000 0.204 44 Q C 2.132 178.129 176.000 -0.004 0.000 0.932 44 Q CA 0.583 56.387 55.803 0.002 0.000 0.916 44 Q CB 0.229 28.960 28.738 -0.012 0.000 1.024 44 Q HN 0.699 nan 8.270 nan 0.000 0.504 45 Q N -1.496 118.308 119.800 0.007 0.000 2.396 45 Q HA 0.217 4.465 4.340 -0.153 0.000 0.209 45 Q C 1.469 177.447 176.000 -0.038 0.000 0.906 45 Q CA 0.631 56.422 55.803 -0.021 0.000 0.927 45 Q CB 0.452 29.178 28.738 -0.020 0.000 1.069 45 Q HN 0.265 nan 8.270 nan 0.000 0.523 46 A N 0.948 123.758 122.820 -0.017 0.000 2.169 46 A HA 0.006 4.234 4.320 -0.153 0.000 0.212 46 A C 1.827 179.407 177.584 -0.007 0.000 1.153 46 A CA 0.449 52.472 52.037 -0.025 0.000 0.756 46 A CB -0.259 18.728 19.000 -0.021 0.000 0.813 46 A HN 0.413 nan 8.150 nan 0.000 0.471 47 M N -1.964 117.644 119.600 0.015 0.000 2.441 47 M HA 0.237 4.625 4.480 -0.153 0.000 0.244 47 M C 1.182 177.537 176.300 0.092 0.000 1.122 47 M CA 0.835 56.171 55.300 0.060 0.000 1.041 47 M CB 0.175 32.794 32.600 0.032 0.000 1.438 47 M HN 0.166 nan 8.290 nan 0.000 0.484 48 K N 0.111 120.533 120.400 0.036 0.000 2.121 48 K HA 0.082 4.309 4.320 -0.153 0.000 0.203 48 K C 1.692 178.207 176.600 -0.142 0.000 1.041 48 K CA 0.612 56.923 56.287 0.040 0.000 0.969 48 K CB -0.139 32.340 32.500 -0.034 0.000 0.799 48 K HN 0.266 nan 8.250 nan 0.000 0.456 49 N N 1.704 120.271 118.700 -0.221 0.000 2.007 49 N HA -0.204 4.444 4.740 -0.153 0.000 0.197 49 N C 1.761 177.294 175.510 0.038 0.000 1.050 49 N CA 1.441 54.357 53.050 -0.224 0.000 0.856 49 N CB -0.153 38.266 38.487 -0.112 0.000 1.050 49 N HN 0.081 nan 8.380 nan 0.000 0.423 50 R N 0.047 120.590 120.500 0.072 0.000 2.154 50 R HA -0.132 4.116 4.340 -0.153 0.000 0.248 50 R C 1.889 178.402 176.300 0.355 0.000 1.155 50 R CA 1.056 57.241 56.100 0.140 0.000 0.979 50 R CB -0.245 30.017 30.300 -0.063 0.000 0.869 50 R HN 0.192 nan 8.270 nan 0.000 0.452 51 I N -0.115 120.683 120.570 0.380 0.000 2.614 51 I HA -0.175 3.903 4.170 -0.153 0.000 0.258 51 I C 1.598 177.981 176.117 0.444 0.000 1.189 51 I CA 1.371 62.934 61.300 0.438 0.000 1.462 51 I CB -0.452 37.800 38.000 0.421 0.000 1.092 51 I HN 0.151 nan 8.210 nan 0.000 0.442 52 H N -0.896 118.311 119.070 0.228 0.000 2.448 52 H HA 0.091 4.554 4.556 -0.154 0.000 0.292 52 H C 2.227 177.737 175.328 0.303 0.000 1.035 52 H CA 0.738 56.917 56.048 0.218 0.000 1.349 52 H CB -0.236 29.616 29.762 0.150 0.000 1.425 52 H HN 0.126 nan 8.280 nan 0.000 0.539 53 L N -0.373 121.139 121.223 0.482 0.000 1.971 53 L HA -0.315 3.933 4.340 -0.153 0.000 0.215 53 L C 2.157 179.384 176.870 0.595 0.000 1.072 53 L CA 2.072 57.224 54.840 0.519 0.000 0.758 53 L CB -0.708 41.630 42.059 0.465 0.000 0.889 53 L HN 0.336 nan 8.230 nan 0.000 0.433 54 Y N 1.212 121.719 120.300 0.345 0.000 2.040 54 Y HA -0.381 4.087 4.550 -0.137 0.000 0.275 54 Y C 2.476 178.582 175.900 0.344 0.000 1.171 54 Y CA 2.057 60.355 58.100 0.329 0.000 1.123 54 Y CB -0.152 38.441 38.460 0.222 0.000 0.963 54 Y HN 0.300 nan 8.280 nan 0.000 0.493 55 D N -1.266 119.467 120.400 0.554 0.000 2.228 55 D HA -0.235 4.313 4.640 -0.153 0.000 0.203 55 D C 1.850 178.340 176.300 0.316 0.000 0.988 55 D CA 1.885 56.102 54.000 0.361 0.000 0.864 55 D CB -0.445 40.480 40.800 0.209 0.000 0.928 55 D HN 0.519 nan 8.370 nan 0.000 0.469 56 H N -0.485 118.718 119.070 0.222 0.000 2.415 56 H HA 0.013 4.476 4.556 -0.155 0.000 0.297 56 H C 1.615 176.963 175.328 0.032 0.000 1.048 56 H CA 1.496 57.600 56.048 0.093 0.000 1.365 56 H CB -0.117 29.670 29.762 0.042 0.000 1.421 56 H HN 0.206 nan 8.280 nan 0.000 0.533 57 H N -0.726 118.374 119.070 0.050 0.000 2.395 57 H HA -0.033 4.429 4.556 -0.156 0.000 0.299 57 H C 2.456 177.865 175.328 0.133 0.000 1.070 57 H CA 1.863 57.926 56.048 0.025 0.000 1.356 57 H CB -0.074 29.747 29.762 0.099 0.000 1.401 57 H HN 0.310 nan 8.280 nan 0.000 0.524 58 V N -1.747 118.293 119.914 0.210 0.000 2.295 58 V HA -0.097 3.931 4.120 -0.153 0.000 0.246 58 V C 2.480 178.564 176.094 -0.017 0.000 1.049 58 V CA 1.949 64.213 62.300 -0.061 0.000 1.024 58 V CB -1.308 30.418 31.823 -0.161 0.000 0.648 58 V HN 0.448 nan 8.190 nan 0.000 0.447 59 G N 0.259 109.082 108.800 0.039 0.000 2.450 59 G HA2 -0.244 3.624 3.960 -0.153 0.000 0.220 59 G HA3 -0.244 3.624 3.960 -0.153 0.000 0.220 59 G C 1.524 176.429 174.900 0.008 0.000 1.130 59 G CA 1.304 46.425 45.100 0.036 0.000 0.760 59 G HN 0.518 nan 8.290 nan 0.000 0.557 60 L N 1.268 122.464 121.223 -0.045 0.000 2.005 60 L HA -0.023 4.225 4.340 -0.153 0.000 0.207 60 L C 3.114 179.973 176.870 -0.019 0.000 1.072 60 L CA 2.117 56.908 54.840 -0.081 0.000 0.744 60 L CB -0.605 41.305 42.059 -0.249 0.000 0.895 60 L HN 0.193 nan 8.230 nan 0.000 0.433 61 V N -3.470 116.455 119.914 0.018 0.000 2.287 61 V HA -0.238 3.790 4.120 -0.153 0.000 0.248 61 V C 2.282 178.376 176.094 0.000 0.000 1.053 61 V CA 1.926 64.248 62.300 0.037 0.000 1.027 61 V CB -1.513 30.357 31.823 0.079 0.000 0.646 61 V HN 0.251 nan 8.190 nan 0.000 0.447 62 V N 0.386 120.285 119.914 -0.027 0.000 2.277 62 V HA -0.295 3.732 4.120 -0.153 0.000 0.253 62 V C 3.018 179.100 176.094 -0.021 0.000 1.067 62 V CA 2.660 64.936 62.300 -0.041 0.000 1.047 62 V CB -0.904 30.885 31.823 -0.056 0.000 0.649 62 V HN 0.619 nan 8.190 nan 0.000 0.447 63 E N -0.369 119.825 120.200 -0.009 0.000 2.031 63 E HA -0.229 4.029 4.350 -0.153 0.000 0.193 63 E C 2.310 178.913 176.600 0.005 0.000 0.994 63 E CA 1.506 57.906 56.400 0.000 0.000 0.800 63 E CB -0.325 29.380 29.700 0.008 0.000 0.752 63 E HN 0.712 nan 8.360 nan 0.000 0.447 64 Q N 0.362 120.166 119.800 0.008 0.000 2.020 64 Q HA -0.113 4.135 4.340 -0.153 0.000 0.202 64 Q C 2.543 178.553 176.000 0.016 0.000 0.982 64 Q CA 1.024 56.836 55.803 0.016 0.000 0.838 64 Q CB -0.213 28.539 28.738 0.023 0.000 0.899 64 Q HN 0.232 nan 8.270 nan 0.000 0.423 65 L N 0.276 121.505 121.223 0.009 0.000 1.971 65 L HA -0.280 3.968 4.340 -0.153 0.000 0.215 65 L C 2.731 179.606 176.870 0.009 0.000 1.072 65 L CA 1.569 56.411 54.840 0.004 0.000 0.758 65 L CB -0.345 41.702 42.059 -0.021 0.000 0.889 65 L HN 0.244 nan 8.230 nan 0.000 0.433 66 R N -1.241 119.260 120.500 0.001 0.000 2.092 66 R HA -0.194 4.054 4.340 -0.153 0.000 0.231 66 R C 2.453 178.765 176.300 0.018 0.000 1.119 66 R CA 1.635 57.740 56.100 0.008 0.000 0.970 66 R CB -0.473 29.825 30.300 -0.004 0.000 0.864 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 C N 0.917 120.227 119.300 0.016 0.000 2.413 67 C HA -0.144 4.224 4.460 -0.153 0.000 0.277 67 C C 2.622 177.628 174.990 0.028 0.000 1.228 67 C CA 1.132 60.162 59.018 0.019 0.000 1.731 67 C CB -1.026 26.724 27.740 0.017 0.000 2.042 67 C HN 0.605 nan 8.230 nan 0.000 0.468 68 I N -0.583 120.006 120.570 0.032 0.000 2.069 68 I HA -0.121 3.957 4.170 -0.153 0.000 0.237 68 I C 1.505 177.655 176.117 0.055 0.000 1.053 68 I CA 2.186 63.511 61.300 0.042 0.000 1.311 68 I CB -1.570 36.456 38.000 0.044 0.000 1.030 68 I HN 0.353 nan 8.210 nan 0.000 0.398 69 T N 3.557 118.154 114.554 0.072 0.000 2.775 69 T HA 0.175 4.433 4.350 -0.153 0.000 0.287 69 T C 0.054 174.788 174.700 0.058 0.000 0.909 69 T CA -0.789 61.365 62.100 0.091 0.000 1.081 69 T CB -0.933 68.030 68.868 0.158 0.000 0.891 69 T HN 0.576 nan 8.240 nan 0.000 0.544 70 N N 4.349 123.075 118.700 0.042 0.000 2.395 70 N HA 0.396 5.044 4.740 -0.153 0.000 0.246 70 N C 0.890 176.415 175.510 0.024 0.000 1.246 70 N CA 0.528 53.595 53.050 0.028 0.000 0.879 70 N CB -0.338 38.161 38.487 0.020 0.000 1.098 70 N HN 1.027 nan 8.380 nan 0.000 0.444 71 G N 1.005 109.815 108.800 0.017 0.000 2.698 71 G HA2 -0.290 3.578 3.960 -0.153 0.000 0.233 71 G HA3 -0.290 3.578 3.960 -0.153 0.000 0.233 71 G C 0.437 175.345 174.900 0.014 0.000 1.352 71 G CA 0.549 45.657 45.100 0.013 0.000 0.879 71 G HN 0.843 nan 8.290 nan 0.000 0.567 72 Q N -0.074 119.732 119.800 0.010 0.000 1.967 72 Q HA 0.159 4.407 4.340 -0.153 0.000 0.202 72 Q C 2.053 178.062 176.000 0.014 0.000 0.985 72 Q CA 1.761 57.568 55.803 0.007 0.000 0.839 72 Q CB -0.643 28.097 28.738 0.003 0.000 0.906 72 Q HN 1.603 nan 8.270 nan 0.000 0.423 73 S N 0.813 116.525 115.700 0.020 0.000 2.525 73 S HA 0.148 4.526 4.470 -0.153 0.000 0.285 73 S C -0.234 174.399 174.600 0.055 0.000 1.283 73 S CA -0.576 57.642 58.200 0.030 0.000 1.072 73 S CB 0.787 64.004 63.200 0.027 0.000 0.867 73 S HN 0.205 nan 8.310 nan 0.000 0.492 74 T N 4.270 118.854 114.554 0.051 0.000 2.733 74 T HA 0.293 4.551 4.350 -0.153 0.000 0.294 74 T C -0.333 174.428 174.700 0.102 0.000 0.956 74 T CA -0.479 61.669 62.100 0.081 0.000 0.987 74 T CB 0.521 69.417 68.868 0.047 0.000 0.920 74 T HN 0.631 nan 8.240 nan 0.000 0.470 75 D N 1.507 122.002 120.400 0.159 0.000 2.294 75 D HA 0.499 5.047 4.640 -0.153 0.000 0.250 75 D C 0.870 177.266 176.300 0.160 0.000 1.058 75 D CA -0.471 53.620 54.000 0.153 0.000 0.950 75 D CB 1.870 42.769 40.800 0.165 0.000 1.158 75 D HN 0.521 nan 8.370 nan 0.000 0.453 76 A N 1.290 124.183 122.820 0.122 0.000 1.924 76 A HA -0.048 4.180 4.320 -0.153 0.000 0.211 76 A C 1.498 179.134 177.584 0.088 0.000 1.198 76 A CA 0.573 52.668 52.037 0.096 0.000 0.657 76 A CB 0.008 19.052 19.000 0.073 0.000 0.852 76 A HN 0.415 nan 8.150 nan 0.000 0.454 77 E N -0.907 119.356 120.200 0.104 0.000 2.435 77 E HA 0.001 4.259 4.350 -0.153 0.000 0.195 77 E C 1.243 177.963 176.600 0.201 0.000 1.029 77 E CA 0.294 56.757 56.400 0.106 0.000 0.865 77 E CB -0.177 29.567 29.700 0.074 0.000 0.833 77 E HN 0.578 nan 8.360 nan 0.000 0.510 78 F N 1.062 121.026 119.950 0.024 0.000 2.416 78 F HA 0.033 4.469 4.527 -0.152 0.000 0.296 78 F C 1.895 177.720 175.800 0.042 0.000 1.099 78 F CA 0.178 58.199 58.000 0.035 0.000 1.427 78 F CB -0.099 38.920 39.000 0.033 0.000 1.079 78 F HN -0.025 nan 8.300 nan 0.000 0.536 79 L N -0.620 120.663 121.223 0.099 0.000 2.156 79 L HA -0.167 4.081 4.340 -0.153 0.000 0.208 79 L C 2.118 178.976 176.870 -0.021 0.000 1.095 79 L CA 1.104 55.935 54.840 -0.014 0.000 0.770 79 L CB -0.579 41.477 42.059 -0.006 0.000 0.914 79 L HN 0.156 nan 8.230 nan 0.000 0.439 80 L N -0.248 120.977 121.223 0.003 0.000 2.044 80 L HA -0.143 4.105 4.340 -0.153 0.000 0.205 80 L C 2.701 179.584 176.870 0.021 0.000 1.075 80 L CA 1.412 56.242 54.840 -0.016 0.000 0.747 80 L CB -0.688 41.363 42.059 -0.012 0.000 0.903 80 L HN 0.136 nan 8.230 nan 0.000 0.435 81 R N -0.714 119.839 120.500 0.088 0.000 2.112 81 R HA -0.183 4.065 4.340 -0.153 0.000 0.242 81 R C 2.111 178.480 176.300 0.115 0.000 1.137 81 R CA 2.147 58.334 56.100 0.146 0.000 0.944 81 R CB -0.917 29.579 30.300 0.327 0.000 0.857 81 R HN 0.221 nan 8.270 nan 0.000 0.435 82 V N 0.941 120.844 119.914 -0.020 0.000 2.490 82 V HA -0.207 3.821 4.120 -0.153 0.000 0.250 82 V C 2.407 178.581 176.094 0.134 0.000 1.061 82 V CA 2.032 64.310 62.300 -0.037 0.000 1.064 82 V CB -0.532 31.149 31.823 -0.237 0.000 0.670 82 V HN 0.401 nan 8.190 nan 0.000 0.461 83 K N -0.027 120.423 120.400 0.084 0.000 2.025 83 K HA -0.201 4.027 4.320 -0.153 0.000 0.207 83 K C 2.321 178.942 176.600 0.035 0.000 1.049 83 K CA 1.341 57.626 56.287 -0.004 0.000 0.933 83 K CB -0.210 32.162 32.500 -0.213 0.000 0.714 83 K HN 0.322 nan 8.250 nan 0.000 0.438 84 E N 0.653 120.856 120.200 0.005 0.000 2.187 84 E HA -0.260 3.998 4.350 -0.153 0.000 0.199 84 E C 1.780 178.373 176.600 -0.012 0.000 1.004 84 E CA 1.476 57.861 56.400 -0.026 0.000 0.813 84 E CB -0.117 29.550 29.700 -0.053 0.000 0.736 84 E HN 0.439 nan 8.360 nan 0.000 0.468 85 H N -1.494 117.611 119.070 0.058 0.000 2.428 85 H HA -0.107 4.357 4.556 -0.154 0.000 0.296 85 H C 1.774 177.153 175.328 0.084 0.000 1.062 85 H CA 1.230 57.318 56.048 0.065 0.000 1.350 85 H CB -0.188 29.617 29.762 0.072 0.000 1.403 85 H HN 0.273 nan 8.280 nan 0.000 0.533 86 Y N 1.744 122.111 120.300 0.111 0.000 2.242 86 Y HA -0.231 4.226 4.550 -0.154 0.000 0.291 86 Y C 2.767 178.648 175.900 -0.031 0.000 1.137 86 Y CA 2.032 60.157 58.100 0.043 0.000 1.181 86 Y CB -0.078 38.395 38.460 0.021 0.000 0.989 86 Y HN 0.238 nan 8.280 nan 0.000 0.527 87 T N -1.246 113.381 114.554 0.123 0.000 2.896 87 T HA -0.154 4.104 4.350 -0.153 0.000 0.263 87 T C 1.810 176.459 174.700 -0.085 0.000 1.050 87 T CA 1.046 63.149 62.100 0.004 0.000 1.140 87 T CB -0.518 68.408 68.868 0.098 0.000 0.877 87 T HN 0.498 nan 8.240 nan 0.000 0.457 88 R N 0.549 121.022 120.500 -0.046 0.000 2.285 88 R HA 0.118 4.366 4.340 -0.153 0.000 0.213 88 R C 1.453 177.724 176.300 -0.049 0.000 1.068 88 R CA 0.503 56.571 56.100 -0.054 0.000 1.004 88 R CB -0.413 29.856 30.300 -0.052 0.000 0.873 88 R HN 0.292 nan 8.270 nan 0.000 0.467 89 L N 0.694 121.873 121.223 -0.072 0.000 2.640 89 L HA 0.238 4.486 4.340 -0.153 0.000 0.230 89 L C 1.606 178.429 176.870 -0.078 0.000 1.123 89 L CA 0.447 55.251 54.840 -0.060 0.000 0.900 89 L CB -0.003 42.011 42.059 -0.074 0.000 1.146 89 L HN 0.253 nan 8.230 nan 0.000 0.484 90 L N 0.524 121.627 121.223 -0.200 0.000 2.591 90 L HA 0.013 4.261 4.340 -0.153 0.000 0.228 90 L C -0.582 176.168 176.870 -0.200 0.000 1.133 90 L CA 0.195 54.885 54.840 -0.251 0.000 0.880 90 L CB -0.607 41.196 42.059 -0.426 0.000 1.033 90 L HN 0.169 nan 8.230 nan 0.000 0.450 91 P HA -0.119 nan 4.420 nan 0.000 0.219 91 P C 0.550 177.787 177.300 -0.105 0.000 1.154 91 P CA 1.123 64.108 63.100 -0.191 0.000 0.826 91 P CB -0.118 31.506 31.700 -0.127 0.000 0.795 92 D N -2.815 117.563 120.400 -0.037 0.000 2.358 92 D HA -0.041 4.507 4.640 -0.153 0.000 0.224 92 D C -0.355 175.907 176.300 -0.063 0.000 1.123 92 D CA -0.538 53.432 54.000 -0.049 0.000 0.833 92 D CB -1.004 39.752 40.800 -0.074 0.000 0.946 92 D HN 0.072 nan 8.370 nan 0.000 0.505 93 Y N 0.652 120.933 120.300 -0.031 0.000 2.383 93 Y HA 0.280 4.738 4.550 -0.153 0.000 0.344 93 Y C -1.439 174.561 175.900 0.168 0.000 0.986 93 Y CA -2.122 56.011 58.100 0.054 0.000 1.175 93 Y CB 1.758 40.241 38.460 0.039 0.000 1.152 93 Y HN -0.087 nan 8.280 nan 0.000 0.511 94 P HA -0.087 nan 4.420 nan 0.000 0.214 94 P C 0.223 177.623 177.300 0.165 0.000 1.162 94 P CA 1.474 64.676 63.100 0.171 0.000 0.871 94 P CB 0.298 32.040 31.700 0.070 0.000 0.783 95 R N 0.059 120.665 120.500 0.176 0.000 2.788 95 R HA 0.158 4.406 4.340 -0.153 0.000 0.264 95 R C 1.192 177.505 176.300 0.021 0.000 1.267 95 R CA -0.014 56.107 56.100 0.035 0.000 1.213 95 R CB -1.221 29.045 30.300 -0.055 0.000 1.256 95 R HN 0.301 nan 8.270 nan 0.000 0.556 96 F N 1.787 121.737 119.950 0.000 0.000 2.502 96 F HA -0.039 4.398 4.527 -0.150 0.000 0.298 96 F C 1.962 177.585 175.800 -0.295 0.000 1.111 96 F CA 0.547 58.419 58.000 -0.213 0.000 1.445 96 F CB -0.140 38.791 39.000 -0.115 0.000 1.081 96 F HN 0.060 nan 8.300 nan 0.000 0.558 97 E N 1.591 121.148 120.200 -1.072 0.000 2.058 97 E HA -0.282 3.976 4.350 -0.153 0.000 0.194 97 E C 2.176 178.239 176.600 -0.896 0.000 0.997 97 E CA 2.046 57.852 56.400 -0.990 0.000 0.801 97 E CB -1.041 28.277 29.700 -0.638 0.000 0.746 97 E HN 0.671 nan 8.360 nan 0.000 0.450 98 I N 0.199 120.352 120.570 -0.695 0.000 3.684 98 I HA 0.108 4.186 4.170 -0.153 0.000 0.304 98 I C 2.032 178.036 176.117 -0.188 0.000 1.278 98 I CA 0.495 61.525 61.300 -0.450 0.000 1.272 98 I CB 0.069 37.897 38.000 -0.287 0.000 1.029 98 I HN 0.142 nan 8.210 nan 0.000 0.458 99 A N 1.403 123.950 122.820 -0.454 0.000 1.930 99 A HA -0.150 4.078 4.320 -0.153 0.000 0.215 99 A C 2.199 179.640 177.584 -0.239 0.000 1.176 99 A CA 1.250 52.819 52.037 -0.781 0.000 0.632 99 A CB -0.446 17.790 19.000 -1.274 0.000 0.819 99 A HN 0.682 nan 8.150 nan 0.000 0.445 100 E N 0.042 120.083 120.200 -0.266 0.000 2.152 100 E HA -0.109 4.149 4.350 -0.153 0.000 0.192 100 E C 1.855 178.477 176.600 0.038 0.000 0.983 100 E CA 1.433 57.660 56.400 -0.289 0.000 0.818 100 E CB -0.402 29.028 29.700 -0.451 0.000 0.758 100 E HN 0.440 nan 8.360 nan 0.000 0.467 101 S N 1.215 116.960 115.700 0.074 0.000 2.343 101 S HA -0.149 4.229 4.470 -0.153 0.000 0.219 101 S C 1.584 176.394 174.600 0.351 0.000 1.033 101 S CA 1.274 59.616 58.200 0.237 0.000 1.014 101 S CB -0.634 62.710 63.200 0.240 0.000 0.915 101 S HN 0.419 nan 8.310 nan 0.000 0.435 102 F N 1.643 121.719 119.950 0.210 0.000 2.333 102 F HA -0.071 4.362 4.527 -0.157 0.000 0.300 102 F C 1.744 177.630 175.800 0.143 0.000 1.083 102 F CA 0.609 58.709 58.000 0.167 0.000 1.395 102 F CB -0.306 38.700 39.000 0.009 0.000 1.056 102 F HN 0.161 nan 8.300 nan 0.000 0.529 103 F N 1.750 121.752 119.950 0.088 0.000 2.046 103 F HA -0.282 4.152 4.527 -0.154 0.000 0.297 103 F C 2.292 178.030 175.800 -0.104 0.000 1.123 103 F CA 2.366 60.278 58.000 -0.146 0.000 1.199 103 F CB -0.883 37.934 39.000 -0.305 0.000 0.972 103 F HN -0.024 nan 8.300 nan 0.000 0.474 104 N N 0.101 118.905 118.700 0.174 0.000 2.104 104 N HA -0.189 4.459 4.740 -0.153 0.000 0.190 104 N C 1.874 177.411 175.510 0.046 0.000 1.024 104 N CA 1.798 54.932 53.050 0.141 0.000 0.853 104 N CB -0.686 37.941 38.487 0.233 0.000 1.008 104 N HN 0.290 nan 8.380 nan 0.000 0.424 105 S N 0.958 116.678 115.700 0.034 0.000 2.419 105 S HA -0.059 4.319 4.470 -0.153 0.000 0.235 105 S C 2.344 176.872 174.600 -0.120 0.000 1.019 105 S CA 0.795 59.009 58.200 0.024 0.000 0.982 105 S CB -0.300 63.027 63.200 0.212 0.000 0.789 105 S HN 0.150 nan 8.310 nan 0.000 0.490 106 V N 0.231 119.981 119.914 -0.273 0.000 2.407 106 V HA -0.116 3.912 4.120 -0.153 0.000 0.245 106 V C 1.988 177.949 176.094 -0.222 0.000 1.041 106 V CA 1.415 63.528 62.300 -0.311 0.000 1.040 106 V CB -0.921 30.640 31.823 -0.436 0.000 0.671 106 V HN 0.479 nan 8.190 nan 0.000 0.455 107 Y N 1.007 121.086 120.300 -0.368 0.000 2.207 107 Y HA -0.271 4.186 4.550 -0.155 0.000 0.287 107 Y C 2.500 178.268 175.900 -0.220 0.000 1.156 107 Y CA 1.474 59.401 58.100 -0.288 0.000 1.182 107 Y CB -0.723 37.580 38.460 -0.262 0.000 0.979 107 Y HN 0.262 nan 8.280 nan 0.000 0.521 108 C N -0.341 118.833 119.300 -0.211 0.000 2.457 108 C HA -0.055 4.313 4.460 -0.153 0.000 0.278 108 C C 2.747 177.360 174.990 -0.629 0.000 1.309 108 C CA 1.129 59.865 59.018 -0.470 0.000 1.735 108 C CB -1.263 26.509 27.740 0.053 0.000 1.992 108 C HN 0.506 nan 8.230 nan 0.000 0.493 109 R N 0.393 120.695 120.500 -0.331 0.000 2.073 109 R HA 0.071 4.319 4.340 -0.153 0.000 0.229 109 R C 0.933 177.086 176.300 -0.245 0.000 1.120 109 R CA 0.630 56.579 56.100 -0.252 0.000 0.967 109 R CB -0.296 29.910 30.300 -0.156 0.000 0.862 109 R HN 0.430 nan 8.270 nan 0.000 0.436 113 H N -0.553 118.357 119.070 -0.267 0.000 3.010 113 H HA -0.226 4.237 4.556 -0.155 0.000 0.272 113 H C 0.715 175.853 175.328 -0.315 0.000 1.151 113 H CA 1.314 57.147 56.048 -0.358 0.000 1.159 113 H CB -1.883 27.788 29.762 -0.151 0.000 1.295 113 H HN 0.504 nan 8.280 nan 0.000 0.344 114 R N 1.126 121.517 120.500 -0.181 0.000 2.758 114 R HA 0.178 4.426 4.340 -0.153 0.000 0.263 114 R C 0.317 176.609 176.300 -0.013 0.000 1.010 114 R CA 0.566 56.620 56.100 -0.076 0.000 1.114 114 R CB 0.336 30.594 30.300 -0.070 0.000 0.985 114 R HN 0.177 nan 8.270 nan 0.000 0.439 115 S N 1.701 117.432 115.700 0.051 0.000 3.356 115 S HA -0.153 4.225 4.470 -0.153 0.000 0.376 115 S C 0.974 175.713 174.600 0.231 0.000 0.924 115 S CA 0.835 59.101 58.200 0.111 0.000 1.316 115 S CB -1.801 61.468 63.200 0.115 0.000 0.922 115 S HN 0.659 nan 8.310 nan 0.000 0.553 116 L N -1.049 120.286 121.223 0.187 0.000 2.109 116 L HA 0.278 4.526 4.340 -0.153 0.000 0.207 116 L C 1.210 178.206 176.870 0.210 0.000 1.086 116 L CA 1.411 56.438 54.840 0.311 0.000 0.760 116 L CB -0.560 41.583 42.059 0.140 0.000 0.910 116 L HN 0.662 nan 8.230 nan 0.000 0.437 117 T N -2.405 112.185 114.554 0.061 0.000 2.654 117 T HA 0.445 4.703 4.350 -0.153 0.000 0.303 117 T C -2.442 172.236 174.700 -0.038 0.000 1.656 117 T CA -0.131 61.954 62.100 -0.025 0.000 0.971 117 T CB 0.843 69.684 68.868 -0.045 0.000 1.811 117 T HN -0.016 nan 8.240 nan 0.000 0.483 118 P HA 0.422 nan 4.420 nan 0.000 0.289 118 P C 0.840 178.078 177.300 -0.103 0.000 1.239 118 P CA 0.053 63.101 63.100 -0.086 0.000 0.915 118 P CB 0.595 32.245 31.700 -0.082 0.000 1.400 119 E N 0.947 121.088 120.200 -0.097 0.000 2.204 119 E HA -0.038 4.220 4.350 -0.153 0.000 0.194 119 E C 1.438 177.934 176.600 -0.173 0.000 0.989 119 E CA 0.834 57.166 56.400 -0.113 0.000 0.824 119 E CB 0.046 29.701 29.700 -0.074 0.000 0.756 119 E HN 0.379 nan 8.360 nan 0.000 0.477 120 R N 0.065 120.448 120.500 -0.196 0.000 2.432 120 R HA 0.167 4.415 4.340 -0.153 0.000 0.260 120 R C -0.173 175.953 176.300 -0.290 0.000 0.935 120 R CA -0.055 55.880 56.100 -0.275 0.000 1.080 120 R CB 0.320 30.420 30.300 -0.334 0.000 1.155 120 R HN -0.027 nan 8.270 nan 0.000 0.531 121 L N -3.840 117.250 121.223 -0.221 0.000 2.869 121 L HA 0.439 4.687 4.340 -0.153 0.000 0.265 121 L C -1.347 175.525 176.870 0.003 0.000 1.011 121 L CA -1.468 53.370 54.840 -0.004 0.000 0.913 121 L CB 0.360 42.536 42.059 0.194 0.000 1.490 121 L HN -0.010 nan 8.230 nan 0.000 0.410 122 F N 1.117 121.121 119.950 0.090 0.000 2.389 122 F HA 0.539 4.974 4.527 -0.154 0.000 0.327 122 F C 0.730 176.731 175.800 0.336 0.000 1.204 122 F CA -0.716 57.416 58.000 0.221 0.000 1.209 122 F CB 0.781 39.858 39.000 0.129 0.000 1.460 122 F HN 0.495 nan 8.300 nan 0.000 0.537 123 I N 4.902 125.768 120.570 0.492 0.000 2.571 123 I HA 0.151 4.229 4.170 -0.153 0.000 0.282 123 I C -1.107 175.332 176.117 0.537 0.000 1.085 123 I CA -0.040 61.483 61.300 0.372 0.000 1.677 123 I CB -0.690 37.369 38.000 0.098 0.000 1.460 123 I HN 0.415 nan 8.210 nan 0.000 0.693 124 F N 0.213 120.280 119.950 0.196 0.000 2.923 124 F HA 0.440 4.873 4.527 -0.156 0.000 0.323 124 F C 1.206 177.080 175.800 0.123 0.000 1.189 124 F CA -1.075 57.025 58.000 0.166 0.000 0.930 124 F CB -0.206 38.903 39.000 0.182 0.000 1.414 124 F HN -0.034 nan 8.300 nan 0.000 0.496 125 S N 0.392 116.156 115.700 0.106 0.000 2.399 125 S HA -0.058 4.320 4.470 -0.153 0.000 0.235 125 S C 0.359 174.933 174.600 -0.043 0.000 1.063 125 S CA 1.441 59.624 58.200 -0.028 0.000 1.070 125 S CB -1.376 61.830 63.200 0.010 0.000 0.904 125 S HN 1.612 nan 8.310 nan 0.000 0.456 126 S N -0.955 114.645 115.700 -0.165 0.000 2.582 126 S HA 0.384 4.762 4.470 -0.153 0.000 0.287 126 S C -0.050 174.358 174.600 -0.320 0.000 1.146 126 S CA -0.615 57.526 58.200 -0.099 0.000 0.941 126 S CB 1.666 64.875 63.200 0.014 0.000 1.115 126 S HN 0.216 nan 8.310 nan 0.000 0.458 127 Q N 1.536 121.230 119.800 -0.175 0.000 1.975 127 Q HA -0.021 4.227 4.340 -0.153 0.000 0.205 127 Q C -1.352 174.528 176.000 -0.200 0.000 0.990 127 Q CA 1.867 57.518 55.803 -0.255 0.000 0.845 127 Q CB -1.059 27.857 28.738 0.297 0.000 0.913 127 Q HN 0.685 nan 8.270 nan 0.000 0.420 135 I N 5.414 126.009 120.570 0.042 0.000 2.406 135 I HA 0.419 4.497 4.170 -0.153 0.000 0.290 135 I C -1.527 174.606 176.117 0.027 0.000 0.999 135 I CA -2.055 59.269 61.300 0.041 0.000 1.124 135 I CB 2.046 40.072 38.000 0.043 0.000 1.289 135 I HN 0.350 nan 8.210 nan 0.000 0.441 136 P HA 0.039 nan 4.420 nan 0.000 0.222 136 P C -0.082 177.224 177.300 0.009 0.000 1.147 136 P CA 1.162 64.271 63.100 0.016 0.000 0.790 136 P CB 0.289 31.998 31.700 0.016 0.000 0.780 137 R N -2.162 118.342 120.500 0.007 0.000 2.929 137 R HA 0.404 4.652 4.340 -0.153 0.000 0.259 137 R C -2.666 173.629 176.300 -0.008 0.000 1.141 137 R CA -1.850 54.250 56.100 0.000 0.000 0.991 137 R CB -0.443 29.859 30.300 0.004 0.000 1.287 137 R HN -0.226 nan 8.270 nan 0.000 0.450 138 P HA 0.021 nan 4.420 nan 0.000 0.267 138 P C -0.329 176.943 177.300 -0.047 0.000 1.205 138 P CA 0.171 63.253 63.100 -0.030 0.000 0.765 138 P CB 0.780 32.464 31.700 -0.027 0.000 0.828 139 L N 2.850 124.026 121.223 -0.078 0.000 2.641 139 L HA 0.527 4.775 4.340 -0.153 0.000 0.207 139 L C 0.630 177.347 176.870 -0.256 0.000 1.049 139 L CA 1.032 55.779 54.840 -0.155 0.000 0.866 139 L CB -0.231 41.745 42.059 -0.139 0.000 1.264 139 L HN 0.475 nan 8.230 nan 0.000 0.483 140 A N -0.930 121.780 122.820 -0.183 0.000 2.566 140 A HA 0.812 5.040 4.320 -0.153 0.000 0.291 140 A C -1.364 176.203 177.584 -0.028 0.000 1.278 140 A CA -0.388 51.562 52.037 -0.145 0.000 0.711 140 A CB 1.263 20.188 19.000 -0.126 0.000 1.332 140 A HN -0.026 nan 8.150 nan 0.000 0.478 141 K N -0.259 120.176 120.400 0.059 0.000 2.551 141 K HA 0.535 4.763 4.320 -0.153 0.000 0.269 141 K C -2.130 174.416 176.600 -0.091 0.000 0.949 141 K CA -0.401 55.840 56.287 -0.077 0.000 0.849 141 K CB 1.643 34.015 32.500 -0.214 0.000 1.411 141 K HN 0.625 nan 8.250 nan 0.000 0.432 142 D N 1.578 121.771 120.400 -0.345 0.000 2.253 142 D HA 0.445 4.993 4.640 -0.153 0.000 0.249 142 D C -0.734 175.076 176.300 -0.817 0.000 1.049 142 D CA 0.278 54.082 54.000 -0.327 0.000 0.929 142 D CB 0.470 41.118 40.800 -0.253 0.000 1.176 142 D HN 0.289 nan 8.370 nan 0.000 0.437 143 F N 0.551 120.317 119.950 -0.307 0.000 2.574 143 F HA 0.279 4.714 4.527 -0.153 0.000 0.313 143 F C 0.027 175.656 175.800 -0.284 0.000 1.130 143 F CA -1.024 56.782 58.000 -0.325 0.000 0.936 143 F CB 1.692 40.526 39.000 -0.277 0.000 1.219 143 F HN 0.124 nan 8.300 nan 0.000 0.445 144 H N 2.169 121.220 119.070 -0.032 0.000 2.489 144 H HA 0.322 4.786 4.556 -0.153 0.000 0.343 144 H C -2.433 172.799 175.328 -0.160 0.000 1.086 144 H CA -2.961 53.044 56.048 -0.072 0.000 1.198 144 H CB 1.986 31.703 29.762 -0.076 0.000 1.490 144 H HN 0.227 nan 8.280 nan 0.000 0.504 145 P HA 0.047 nan 4.420 nan 0.000 0.232 145 P C 0.348 177.664 177.300 0.027 0.000 1.738 145 P CA 0.242 63.257 63.100 -0.142 0.000 0.948 145 P CB 0.186 31.906 31.700 0.033 0.000 1.943 146 D N -0.875 119.564 120.400 0.066 0.000 2.149 146 D HA -0.068 4.480 4.640 -0.153 0.000 0.206 146 D C 0.809 177.181 176.300 0.120 0.000 0.967 146 D CA 1.197 55.270 54.000 0.121 0.000 0.848 146 D CB 0.034 40.965 40.800 0.218 0.000 0.998 146 D HN 0.499 nan 8.370 nan 0.000 0.474 147 H N -0.139 118.920 119.070 -0.019 0.000 2.472 147 H HA 0.440 4.904 4.556 -0.153 0.000 0.287 147 H C 0.562 175.887 175.328 -0.005 0.000 1.112 147 H CA -0.163 55.879 56.048 -0.011 0.000 1.021 147 H CB 0.800 30.553 29.762 -0.015 0.000 1.635 147 H HN 0.114 nan 8.280 nan 0.000 0.559 148 G N -0.144 108.706 108.800 0.084 0.000 2.570 148 G HA2 -0.219 3.649 3.960 -0.153 0.000 0.686 148 G HA3 -0.219 3.649 3.960 -0.153 0.000 0.686 148 G C -0.387 174.569 174.900 0.094 0.000 1.257 148 G CA -0.689 44.472 45.100 0.100 0.000 0.846 148 G HN 0.363 nan 8.290 nan 0.000 0.627 149 W N -0.230 121.087 121.300 0.029 0.000 2.812 149 W HA 0.279 4.847 4.660 -0.154 0.000 0.263 149 W C 2.384 178.907 176.519 0.008 0.000 1.284 149 W CA 0.940 58.303 57.345 0.031 0.000 1.430 149 W CB 0.301 29.781 29.460 0.033 0.000 1.088 149 W HN 0.789 nan 8.180 nan 0.000 0.623 150 E N -0.374 119.931 120.200 0.176 0.000 2.153 150 E HA -0.166 4.092 4.350 -0.153 0.000 0.194 150 E C 1.997 178.621 176.600 0.041 0.000 0.988 150 E CA 1.443 57.882 56.400 0.064 0.000 0.811 150 E CB 0.005 29.683 29.700 -0.036 0.000 0.746 150 E HN 0.063 nan 8.360 nan 0.000 0.466 151 S N 0.139 115.861 115.700 0.036 0.000 2.425 151 S HA 0.016 4.394 4.470 -0.153 0.000 0.225 151 S C 1.315 175.904 174.600 -0.019 0.000 1.024 151 S CA 0.354 58.561 58.200 0.012 0.000 0.951 151 S CB 0.234 63.452 63.200 0.031 0.000 0.796 151 S HN 0.186 nan 8.310 nan 0.000 0.498 152 L N 1.163 122.356 121.223 -0.052 0.000 2.612 152 L HA 0.268 4.516 4.340 -0.153 0.000 0.230 152 L C 0.832 177.628 176.870 -0.123 0.000 1.140 152 L CA 0.611 55.371 54.840 -0.134 0.000 0.896 152 L CB -0.839 41.017 42.059 -0.340 0.000 1.065 152 L HN 0.300 nan 8.230 nan 0.000 0.447 153 L N -0.948 120.265 121.223 -0.018 0.000 2.808 153 L HA 0.226 4.474 4.340 -0.153 0.000 0.246 153 L C 1.600 178.441 176.870 -0.049 0.000 1.153 153 L CA 0.584 55.429 54.840 0.008 0.000 0.956 153 L CB 0.402 42.537 42.059 0.127 0.000 1.270 153 L HN 0.291 nan 8.230 nan 0.000 0.528 154 M N -1.758 117.805 119.600 -0.061 0.000 2.491 154 M HA 0.017 4.405 4.480 -0.153 0.000 0.259 154 M C 1.932 178.178 176.300 -0.090 0.000 1.163 154 M CA 0.148 55.389 55.300 -0.099 0.000 1.109 154 M CB 0.582 33.139 32.600 -0.073 0.000 1.353 154 M HN 0.012 nan 8.290 nan 0.000 0.500 155 R N 1.065 121.532 120.500 -0.054 0.000 2.082 155 R HA -0.091 4.157 4.340 -0.153 0.000 0.228 155 R C 2.005 178.318 176.300 0.022 0.000 1.140 155 R CA 1.772 57.870 56.100 -0.005 0.000 0.920 155 R CB -1.172 29.152 30.300 0.040 0.000 0.828 155 R HN 0.187 nan 8.270 nan 0.000 0.430 156 V N 0.604 120.494 119.914 -0.040 0.000 2.313 156 V HA -0.276 3.752 4.120 -0.153 0.000 0.253 156 V C 2.079 178.125 176.094 -0.079 0.000 1.070 156 V CA 2.306 64.504 62.300 -0.170 0.000 1.057 156 V CB -0.334 31.071 31.823 -0.696 0.000 0.653 156 V HN 0.434 nan 8.190 nan 0.000 0.450 157 I N -0.443 120.053 120.570 -0.124 0.000 2.353 157 I HA -0.132 3.946 4.170 -0.153 0.000 0.248 157 I C 2.239 178.272 176.117 -0.140 0.000 1.119 157 I CA 1.654 62.852 61.300 -0.170 0.000 1.417 157 I CB -0.305 37.500 38.000 -0.325 0.000 1.078 157 I HN 0.212 nan 8.210 nan 0.000 0.421 158 S N -0.125 115.512 115.700 -0.105 0.000 2.720 158 S HA -0.052 4.326 4.470 -0.153 0.000 0.222 158 S C 0.815 175.404 174.600 -0.018 0.000 0.958 158 S CA 0.570 58.727 58.200 -0.071 0.000 0.943 158 S CB -0.349 62.814 63.200 -0.063 0.000 0.779 158 S HN 0.315 nan 8.310 nan 0.000 0.526 159 D N 0.870 121.275 120.400 0.008 0.000 2.535 159 D HA 0.254 4.802 4.640 -0.153 0.000 0.229 159 D C -0.392 175.936 176.300 0.047 0.000 1.238 159 D CA 0.012 54.036 54.000 0.039 0.000 0.824 159 D CB 0.530 41.381 40.800 0.084 0.000 1.045 159 D HN 0.311 nan 8.370 nan 0.000 0.500 160 L N 0.905 122.149 121.223 0.035 0.000 2.322 160 L HA 0.299 4.547 4.340 -0.153 0.000 0.279 160 L C -1.037 175.886 176.870 0.089 0.000 1.036 160 L CA -1.670 53.213 54.840 0.071 0.000 0.807 160 L CB 1.535 43.641 42.059 0.078 0.000 1.226 160 L HN -0.285 nan 8.230 nan 0.000 0.433 161 P HA -0.134 nan 4.420 nan 0.000 0.216 161 P C 0.176 177.558 177.300 0.137 0.000 1.154 161 P CA 0.886 64.052 63.100 0.111 0.000 0.865 161 P CB -0.008 31.769 31.700 0.128 0.000 0.789 162 L N -0.160 121.187 121.223 0.207 0.000 2.593 162 L HA -0.078 4.170 4.340 -0.153 0.000 0.287 162 L C 1.634 178.607 176.870 0.172 0.000 1.243 162 L CA 1.177 56.155 54.840 0.229 0.000 0.890 162 L CB -0.717 41.551 42.059 0.349 0.000 1.134 162 L HN 0.087 nan 8.230 nan 0.000 0.502 163 R N 1.962 122.533 120.500 0.118 0.000 2.365 163 R HA 0.302 4.550 4.340 -0.153 0.000 0.223 163 R C 0.206 176.571 176.300 0.108 0.000 0.899 163 R CA -0.309 55.850 56.100 0.099 0.000 1.059 163 R CB 0.393 30.722 30.300 0.048 0.000 1.086 163 R HN 0.453 nan 8.270 nan 0.000 0.522 164 L N 0.744 122.017 121.223 0.084 0.000 2.452 164 L HA 0.088 4.336 4.340 -0.153 0.000 0.267 164 L C 0.061 177.053 176.870 0.203 0.000 1.188 164 L CA -0.139 54.746 54.840 0.076 0.000 0.821 164 L CB 0.344 42.376 42.059 -0.044 0.000 1.102 164 L HN 0.038 nan 8.230 nan 0.000 0.470 165 H N 0.896 120.018 119.070 0.085 0.000 2.594 165 H HA 0.205 4.669 4.556 -0.153 0.000 0.304 165 H C -1.085 174.362 175.328 0.199 0.000 1.068 165 H CA -0.437 55.709 56.048 0.162 0.000 1.308 165 H CB 0.470 30.291 29.762 0.099 0.000 1.409 165 H HN 0.283 nan 8.280 nan 0.000 0.460 166 W N 4.191 125.382 121.300 -0.181 0.000 2.322 166 W HA 0.122 4.690 4.660 -0.154 0.000 0.328 166 W C -0.146 176.351 176.519 -0.037 0.000 1.395 166 W CA -0.176 57.125 57.345 -0.073 0.000 1.267 166 W CB 0.556 29.967 29.460 -0.082 0.000 1.259 166 W HN 0.445 nan 8.180 nan 0.000 0.560 167 Q N 3.526 123.426 119.800 0.166 0.000 2.314 167 Q HA 0.066 4.314 4.340 -0.153 0.000 0.259 167 Q C 0.336 176.412 176.000 0.126 0.000 0.951 167 Q CA -0.666 55.212 55.803 0.126 0.000 0.909 167 Q CB 0.968 29.746 28.738 0.068 0.000 1.236 167 Q HN 0.625 nan 8.270 nan 0.000 0.444 168 N N 2.307 121.079 118.700 0.120 0.000 2.667 168 N HA -0.227 4.421 4.740 -0.153 0.000 0.263 168 N C 0.354 175.959 175.510 0.157 0.000 1.038 168 N CA 0.292 53.407 53.050 0.108 0.000 0.749 168 N CB 0.021 38.542 38.487 0.057 0.000 0.892 168 N HN 0.529 nan 8.380 nan 0.000 0.546 169 K N -0.088 120.438 120.400 0.209 0.000 2.585 169 K HA -0.003 4.225 4.320 -0.153 0.000 0.194 169 K C 1.577 178.265 176.600 0.146 0.000 1.037 169 K CA 0.934 57.369 56.287 0.246 0.000 0.964 169 K CB 0.088 32.671 32.500 0.137 0.000 0.787 169 K HN 0.289 nan 8.250 nan 0.000 0.488 170 S N 1.000 116.772 115.700 0.120 0.000 2.356 170 S HA -0.156 4.222 4.470 -0.153 0.000 0.223 170 S C 1.568 176.264 174.600 0.160 0.000 1.032 170 S CA 1.507 59.776 58.200 0.116 0.000 1.005 170 S CB -0.089 63.172 63.200 0.101 0.000 0.867 170 S HN 0.480 nan 8.310 nan 0.000 0.449 171 R N 1.998 122.580 120.500 0.135 0.000 2.080 171 R HA -0.049 4.199 4.340 -0.153 0.000 0.236 171 R C 1.758 178.216 176.300 0.263 0.000 1.137 171 R CA 1.658 57.853 56.100 0.158 0.000 0.943 171 R CB -0.883 29.299 30.300 -0.196 0.000 0.846 171 R HN 0.226 nan 8.270 nan 0.000 0.431 172 D N 1.180 121.673 120.400 0.155 0.000 2.116 172 D HA -0.169 4.379 4.640 -0.153 0.000 0.193 172 D C 2.028 178.452 176.300 0.207 0.000 0.998 172 D CA 1.938 56.055 54.000 0.194 0.000 0.836 172 D CB -0.233 40.730 40.800 0.270 0.000 0.951 172 D HN 0.420 nan 8.370 nan 0.000 0.449 173 I N -1.017 119.663 120.570 0.183 0.000 2.151 173 I HA -0.268 3.810 4.170 -0.153 0.000 0.243 173 I C 2.411 178.633 176.117 0.174 0.000 1.080 173 I CA 1.635 63.026 61.300 0.151 0.000 1.339 173 I CB -0.620 37.436 38.000 0.094 0.000 1.039 173 I HN -0.026 nan 8.210 nan 0.000 0.409 174 H N 0.032 119.172 119.070 0.117 0.000 2.462 174 H HA -0.026 4.438 4.556 -0.154 0.000 0.292 174 H C 1.779 177.079 175.328 -0.046 0.000 1.049 174 H CA 1.424 57.503 56.048 0.053 0.000 1.334 174 H CB -0.120 29.681 29.762 0.066 0.000 1.404 174 H HN 0.520 nan 8.280 nan 0.000 0.544 175 Y N -0.628 119.664 120.300 -0.014 0.000 2.475 175 Y HA 0.019 4.477 4.550 -0.154 0.000 0.289 175 Y C 2.375 177.977 175.900 -0.498 0.000 1.121 175 Y CA 0.368 58.293 58.100 -0.292 0.000 1.257 175 Y CB 0.234 38.461 38.460 -0.389 0.000 1.026 175 Y HN 0.083 nan 8.280 nan 0.000 0.555 176 I N -1.035 119.467 120.570 -0.112 0.000 2.716 176 I HA -0.221 3.857 4.170 -0.153 0.000 0.259 176 I C 1.742 177.861 176.117 0.003 0.000 1.172 176 I CA 0.350 61.628 61.300 -0.036 0.000 1.478 176 I CB -0.111 37.980 38.000 0.150 0.000 1.104 176 I HN 0.187 nan 8.210 nan 0.000 0.439 177 I N 1.204 121.778 120.570 0.006 0.000 2.208 177 I HA -0.262 3.816 4.170 -0.153 0.000 0.245 177 I C 2.628 178.708 176.117 -0.062 0.000 1.097 177 I CA 1.699 62.984 61.300 -0.025 0.000 1.363 177 I CB -1.044 36.977 38.000 0.034 0.000 1.051 177 I HN 0.271 nan 8.210 nan 0.000 0.413 178 R N -0.597 119.862 120.500 -0.068 0.000 2.070 178 R HA -0.220 4.028 4.340 -0.153 0.000 0.233 178 R C 2.317 178.591 176.300 -0.044 0.000 1.137 178 R CA 1.609 57.666 56.100 -0.073 0.000 0.945 178 R CB -0.848 29.382 30.300 -0.118 0.000 0.845 178 R HN 0.376 nan 8.270 nan 0.000 0.430 179 H N 0.916 119.914 119.070 -0.119 0.000 2.357 179 H HA -0.125 4.339 4.556 -0.153 0.000 0.296 179 H C 1.923 177.215 175.328 -0.060 0.000 1.108 179 H CA 1.960 57.969 56.048 -0.066 0.000 1.273 179 H CB -0.115 29.649 29.762 0.002 0.000 1.367 179 H HN 0.070 nan 8.280 nan 0.000 0.498 180 L N -1.383 119.853 121.223 0.023 0.000 2.109 180 L HA -0.144 4.104 4.340 -0.153 0.000 0.207 180 L C 2.731 179.518 176.870 -0.138 0.000 1.086 180 L CA 1.629 56.411 54.840 -0.097 0.000 0.760 180 L CB -0.528 41.397 42.059 -0.223 0.000 0.910 180 L HN 0.357 nan 8.230 nan 0.000 0.437 181 T N -0.362 114.122 114.554 -0.117 0.000 2.812 181 T HA -0.167 4.091 4.350 -0.153 0.000 0.264 181 T C 1.721 176.375 174.700 -0.077 0.000 1.042 181 T CA 1.521 63.562 62.100 -0.098 0.000 1.140 181 T CB -0.052 68.773 68.868 -0.072 0.000 0.870 181 T HN 0.553 nan 8.240 nan 0.000 0.445 182 E N -0.234 119.921 120.200 -0.075 0.000 2.285 182 E HA -0.054 4.204 4.350 -0.153 0.000 0.194 182 E C 1.812 178.367 176.600 -0.075 0.000 0.997 182 E CA 1.271 57.635 56.400 -0.060 0.000 0.845 182 E CB -0.406 29.271 29.700 -0.038 0.000 0.782 182 E HN 0.465 nan 8.360 nan 0.000 0.491 183 T N 1.179 115.666 114.554 -0.113 0.000 2.976 183 T HA 0.129 4.387 4.350 -0.153 0.000 0.257 183 T C 1.970 176.622 174.700 -0.079 0.000 1.051 183 T CA 0.476 62.508 62.100 -0.113 0.000 1.141 183 T CB 0.047 68.807 68.868 -0.180 0.000 0.881 183 T HN 0.066 nan 8.240 nan 0.000 0.461 184 L N 0.156 121.329 121.223 -0.084 0.000 2.286 184 L HA 0.415 4.663 4.340 -0.153 0.000 0.203 184 L C 1.161 178.000 176.870 -0.053 0.000 1.068 184 L CA 0.247 55.047 54.840 -0.068 0.000 0.811 184 L CB -0.260 41.744 42.059 -0.091 0.000 0.989 184 L HN 0.501 nan 8.230 nan 0.000 0.467 185 G N -0.011 108.754 108.800 -0.058 0.000 3.225 185 G HA2 -0.096 3.772 3.960 -0.153 0.000 0.686 185 G HA3 -0.096 3.772 3.960 -0.153 0.000 0.686 185 G C -2.475 172.399 174.900 -0.043 0.000 1.105 185 G CA -0.814 44.262 45.100 -0.041 0.000 0.831 185 G HN -0.091 nan 8.290 nan 0.000 0.578 186 P HA -0.074 nan 4.420 nan 0.000 0.221 186 P C 1.519 178.813 177.300 -0.009 0.000 1.145 186 P CA 1.271 64.355 63.100 -0.027 0.000 0.795 186 P CB 0.386 32.077 31.700 -0.015 0.000 0.775 187 E N -0.191 120.006 120.200 -0.005 0.000 2.107 187 E HA -0.107 4.151 4.350 -0.153 0.000 0.191 187 E C 1.119 177.726 176.600 0.012 0.000 0.982 187 E CA 0.866 57.270 56.400 0.006 0.000 0.809 187 E CB -0.333 29.370 29.700 0.005 0.000 0.756 187 E HN 0.269 nan 8.360 nan 0.000 0.459 188 N N 1.030 119.731 118.700 0.001 0.000 2.398 188 N HA -0.020 4.628 4.740 -0.153 0.000 0.188 188 N C 1.248 176.765 175.510 0.012 0.000 1.122 188 N CA 0.220 53.275 53.050 0.009 0.000 0.866 188 N CB 0.512 38.998 38.487 -0.001 0.000 0.970 188 N HN 0.304 nan 8.380 nan 0.000 0.462 189 L N -2.069 119.152 121.223 -0.003 0.000 3.110 189 L HA 0.428 4.676 4.340 -0.153 0.000 0.266 189 L C 0.565 177.515 176.870 0.133 0.000 1.257 189 L CA -0.131 54.703 54.840 -0.009 0.000 1.038 189 L CB 0.292 42.210 42.059 -0.234 0.000 1.395 189 L HN -0.196 nan 8.230 nan 0.000 0.566 190 S N 0.591 116.367 115.700 0.126 0.000 2.395 190 S HA 0.073 4.451 4.470 -0.153 0.000 0.225 190 S C 1.181 175.884 174.600 0.171 0.000 1.027 190 S CA 0.835 59.121 58.200 0.143 0.000 0.965 190 S CB 0.060 63.307 63.200 0.077 0.000 0.812 190 S HN 0.482 nan 8.310 nan 0.000 0.482 191 K N 1.146 121.642 120.400 0.159 0.000 2.826 191 K HA 0.244 4.472 4.320 -0.153 0.000 0.206 191 K C -0.538 176.197 176.600 0.226 0.000 1.116 191 K CA -0.012 56.358 56.287 0.138 0.000 1.045 191 K CB 1.135 33.667 32.500 0.054 0.000 0.758 191 K HN 0.148 nan 8.250 nan 0.000 0.465 192 S N 1.872 117.773 115.700 0.334 0.000 2.448 192 S HA 0.190 4.568 4.470 -0.153 0.000 0.320 192 S C -0.071 174.894 174.600 0.608 0.000 1.071 192 S CA -0.791 57.646 58.200 0.396 0.000 1.113 192 S CB 0.224 63.571 63.200 0.245 0.000 0.972 192 S HN 0.381 nan 8.310 nan 0.000 0.465 193 H N 3.368 122.632 119.070 0.322 0.000 2.645 193 H HA 0.745 5.210 4.556 -0.153 0.000 0.308 193 H C -1.123 174.352 175.328 0.245 0.000 1.495 193 H CA -1.256 54.970 56.048 0.296 0.000 1.518 193 H CB 0.159 30.155 29.762 0.390 0.000 1.752 193 H HN 0.483 nan 8.280 nan 0.000 0.797 194 L N 0.021 121.314 121.223 0.116 0.000 2.370 194 L HA 0.329 4.577 4.340 -0.153 0.000 0.266 194 L C -0.536 176.378 176.870 0.073 0.000 1.002 194 L CA -0.475 54.353 54.840 -0.020 0.000 0.818 194 L CB 2.112 44.058 42.059 -0.188 0.000 1.325 194 L HN 0.825 nan 8.230 nan 0.000 0.418 195 Q N 2.416 122.240 119.800 0.041 0.000 2.327 195 Q HA 0.717 4.965 4.340 -0.153 0.000 0.270 195 Q C -1.981 174.177 176.000 0.263 0.000 1.022 195 Q CA -0.510 55.412 55.803 0.199 0.000 0.773 195 Q CB 1.726 30.592 28.738 0.213 0.000 1.251 195 Q HN 0.505 nan 8.270 nan 0.000 0.457 196 V N 2.650 122.756 119.914 0.320 0.000 2.487 196 V HA 0.640 4.668 4.120 -0.153 0.000 0.298 196 V C -0.156 176.058 176.094 0.200 0.000 1.028 196 V CA -0.973 61.488 62.300 0.268 0.000 0.860 196 V CB 1.514 33.375 31.823 0.063 0.000 0.991 196 V HN 0.919 nan 8.190 nan 0.000 0.427 197 A N 4.037 126.922 122.820 0.108 0.000 2.524 197 A HA 0.202 4.430 4.320 -0.153 0.000 0.250 197 A C 1.469 179.041 177.584 -0.021 0.000 1.078 197 A CA 0.019 51.933 52.037 -0.205 0.000 0.761 197 A CB -0.054 18.758 19.000 -0.313 0.000 1.012 197 A HN 1.022 nan 8.150 nan 0.000 0.500 198 N N 2.477 121.138 118.700 -0.064 0.000 2.334 198 N HA -0.155 4.493 4.740 -0.153 0.000 0.187 198 N C 0.103 175.631 175.510 0.030 0.000 1.016 198 N CA 1.491 54.543 53.050 0.005 0.000 0.879 198 N CB -0.122 38.350 38.487 -0.025 0.000 0.965 198 N HN 0.797 nan 8.380 nan 0.000 0.438 199 E N -0.445 119.765 120.200 0.016 0.000 2.299 199 E HA 0.511 4.769 4.350 -0.153 0.000 0.265 199 E C -0.894 175.753 176.600 0.079 0.000 0.911 199 E CA -0.978 55.450 56.400 0.045 0.000 0.789 199 E CB 1.806 31.516 29.700 0.017 0.000 1.246 199 E HN -0.055 nan 8.360 nan 0.000 0.427 200 L N 0.926 122.226 121.223 0.130 0.000 2.334 200 L HA 0.416 4.664 4.340 -0.153 0.000 0.273 200 L C -0.615 176.327 176.870 0.119 0.000 1.013 200 L CA -0.338 54.592 54.840 0.149 0.000 0.816 200 L CB 0.527 42.570 42.059 -0.027 0.000 1.278 200 L HN 0.447 nan 8.230 nan 0.000 0.431 201 F N 1.926 121.906 119.950 0.049 0.000 2.404 201 F HA 0.348 4.780 4.527 -0.158 0.000 0.358 201 F C -0.464 175.518 175.800 0.304 0.000 1.120 201 F CA -0.145 57.956 58.000 0.170 0.000 1.144 201 F CB 0.417 39.260 39.000 -0.262 0.000 1.133 201 F HN 0.268 nan 8.300 nan 0.000 0.495 202 Y N 3.340 123.877 120.300 0.395 0.000 2.402 202 Y HA 0.494 4.951 4.550 -0.156 0.000 0.332 202 Y C 0.021 176.002 175.900 0.135 0.000 0.960 202 Y CA -0.717 57.493 58.100 0.184 0.000 1.228 202 Y CB 1.243 39.733 38.460 0.051 0.000 1.120 202 Y HN 0.468 nan 8.280 nan 0.000 0.491 203 R N 3.202 123.811 120.500 0.181 0.000 2.575 203 R HA 0.429 4.677 4.340 -0.153 0.000 0.293 203 R C -0.162 176.129 176.300 -0.014 0.000 0.983 203 R CA -0.243 55.855 56.100 -0.002 0.000 0.887 203 R CB 0.572 30.703 30.300 -0.281 0.000 1.184 203 R HN 0.835 nan 8.270 nan 0.000 0.445 204 N N 1.920 120.596 118.700 -0.040 0.000 1.504 204 N HA -0.275 4.373 4.740 -0.153 0.000 0.155 204 N C -0.519 174.895 175.510 -0.159 0.000 0.736 204 N CA 1.787 54.772 53.050 -0.107 0.000 1.095 204 N CB -0.645 37.761 38.487 -0.136 0.000 1.315 204 N HN 0.698 nan 8.380 nan 0.000 0.467 205 K N 1.457 121.672 120.400 -0.308 0.000 2.446 205 K HA 0.519 4.747 4.320 -0.153 0.000 0.203 205 K C -0.198 176.212 176.600 -0.318 0.000 1.027 205 K CA 0.314 56.312 56.287 -0.482 0.000 1.166 205 K CB 0.455 32.593 32.500 -0.605 0.000 0.869 205 K HN 0.463 nan 8.250 nan 0.000 0.504 206 A N 0.707 123.321 122.820 -0.344 0.000 2.354 206 A HA 0.776 5.004 4.320 -0.153 0.000 0.321 206 A C -0.817 176.332 177.584 -0.725 0.000 1.125 206 A CA -0.660 50.964 52.037 -0.689 0.000 0.799 206 A CB 1.438 20.066 19.000 -0.620 0.000 1.293 206 A HN 0.139 nan 8.150 nan 0.000 0.452 207 A N 0.918 123.125 122.820 -1.021 0.000 3.082 207 A HA 0.538 4.766 4.320 -0.153 0.000 0.328 207 A C -0.927 176.259 177.584 -0.662 0.000 1.089 207 A CA -0.503 50.821 52.037 -1.188 0.000 0.802 207 A CB -0.356 17.731 19.000 -1.521 0.000 1.138 207 A HN 0.705 nan 8.150 nan 0.000 0.474 208 W N 0.324 121.375 121.300 -0.416 0.000 2.089 208 W HA 0.418 4.987 4.660 -0.152 0.000 0.355 208 W C 0.477 176.926 176.519 -0.116 0.000 1.305 208 W CA 0.243 57.471 57.345 -0.195 0.000 1.281 208 W CB 0.474 29.907 29.460 -0.044 0.000 1.183 208 W HN 0.489 nan 8.180 nan 0.000 0.604 209 L N 2.278 123.622 121.223 0.202 0.000 2.342 209 L HA 0.516 4.764 4.340 -0.153 0.000 0.276 209 L C -1.237 175.772 176.870 0.232 0.000 0.997 209 L CA -0.728 54.230 54.840 0.198 0.000 0.838 209 L CB 0.780 42.925 42.059 0.144 0.000 1.224 209 L HN 0.094 nan 8.230 nan 0.000 0.416 210 V N 4.930 125.040 119.914 0.327 0.000 2.350 210 V HA 0.802 4.830 4.120 -0.153 0.000 0.276 210 V C 0.557 176.993 176.094 0.570 0.000 1.028 210 V CA -0.124 62.372 62.300 0.327 0.000 0.860 210 V CB 1.103 32.987 31.823 0.102 0.000 0.990 210 V HN 0.887 nan 8.190 nan 0.000 0.453 211 G N 4.427 113.663 108.800 0.727 0.000 2.708 211 G HA2 0.689 4.557 3.960 -0.153 0.000 0.289 211 G HA3 0.689 4.557 3.960 -0.153 0.000 0.289 211 G C -1.492 173.726 174.900 0.529 0.000 1.416 211 G CA -0.945 44.560 45.100 0.675 0.000 0.829 211 G HN 0.577 nan 8.290 nan 0.000 0.480 212 K N -0.007 120.545 120.400 0.253 0.000 2.292 212 K HA 0.590 4.818 4.320 -0.153 0.000 0.257 212 K C -1.170 175.430 176.600 -0.000 0.000 0.940 212 K CA -0.831 55.503 56.287 0.079 0.000 0.811 212 K CB 2.764 35.222 32.500 -0.068 0.000 1.120 212 K HN 0.328 nan 8.250 nan 0.000 0.428 213 L N 3.736 124.986 121.223 0.045 0.000 2.276 213 L HA 0.401 4.649 4.340 -0.153 0.000 0.286 213 L C -0.977 175.883 176.870 -0.017 0.000 1.061 213 L CA -0.145 54.708 54.840 0.021 0.000 0.807 213 L CB 0.483 42.615 42.059 0.122 0.000 1.177 213 L HN 0.604 nan 8.230 nan 0.000 0.429 214 I N 4.871 125.393 120.570 -0.079 0.000 2.330 214 I HA 0.287 4.365 4.170 -0.153 0.000 0.286 214 I C -0.033 176.068 176.117 -0.026 0.000 1.025 214 I CA -0.249 60.956 61.300 -0.158 0.000 1.197 214 I CB 1.244 38.952 38.000 -0.487 0.000 1.358 214 I HN 0.645 nan 8.210 nan 0.000 0.467 215 T N 6.268 120.838 114.554 0.027 0.000 2.809 215 T HA 0.415 4.673 4.350 -0.153 0.000 0.284 215 T C -2.302 172.432 174.700 0.057 0.000 0.992 215 T CA -1.988 60.153 62.100 0.069 0.000 0.957 215 T CB 1.670 70.566 68.868 0.047 0.000 0.942 215 T HN 0.190 nan 8.240 nan 0.000 0.439 216 P HA 0.132 nan 4.420 nan 0.000 0.259 216 P C 0.186 177.511 177.300 0.042 0.000 1.307 216 P CA 0.292 63.430 63.100 0.063 0.000 0.768 216 P CB 0.018 31.764 31.700 0.077 0.000 1.199 217 S N -0.392 115.329 115.700 0.035 0.000 2.602 217 S HA 0.516 4.894 4.470 -0.153 0.000 0.246 217 S C 0.911 175.520 174.600 0.015 0.000 1.009 217 S CA 0.169 58.382 58.200 0.021 0.000 1.052 217 S CB -0.170 63.040 63.200 0.016 0.000 0.778 217 S HN 0.389 nan 8.310 nan 0.000 0.455 218 G N 1.114 109.924 108.800 0.016 0.000 2.298 218 G HA2 0.077 3.945 3.960 -0.153 0.000 0.309 218 G HA3 0.077 3.945 3.960 -0.153 0.000 0.309 218 G C -0.918 173.985 174.900 0.004 0.000 1.279 218 G CA -0.455 44.650 45.100 0.008 0.000 1.042 218 G HN 0.455 nan 8.290 nan 0.000 0.480 219 T N -1.224 113.324 114.554 -0.009 0.000 2.930 219 T HA 0.632 4.890 4.350 -0.153 0.000 0.313 219 T C -0.873 173.807 174.700 -0.033 0.000 1.019 219 T CA -0.432 61.654 62.100 -0.024 0.000 1.004 219 T CB 1.721 70.568 68.868 -0.035 0.000 0.987 219 T HN 1.269 nan 8.240 nan 0.000 0.456 220 L N 3.910 125.122 121.223 -0.019 0.000 2.354 220 L HA 0.758 5.006 4.340 -0.153 0.000 0.269 220 L C -2.690 174.189 176.870 0.015 0.000 1.005 220 L CA -2.228 52.608 54.840 -0.006 0.000 0.819 220 L CB 1.937 44.005 42.059 0.015 0.000 1.311 220 L HN 0.292 nan 8.230 nan 0.000 0.423 221 P HA 0.232 nan 4.420 nan 0.000 0.271 221 P C -1.731 175.680 177.300 0.185 0.000 1.244 221 P CA 0.200 63.324 63.100 0.039 0.000 0.793 221 P CB 0.293 31.980 31.700 -0.022 0.000 0.984 222 F N 0.943 120.900 119.950 0.011 0.000 2.605 222 F HA 0.674 5.109 4.527 -0.153 0.000 0.320 222 F C -2.415 173.430 175.800 0.074 0.000 1.159 222 F CA -0.812 57.222 58.000 0.057 0.000 0.999 222 F CB 1.081 40.135 39.000 0.090 0.000 1.258 222 F HN 0.108 nan 8.300 nan 0.000 0.464 223 L N 6.928 127.791 121.223 -0.600 0.000 2.505 223 L HA 0.573 4.820 4.340 -0.153 0.000 0.266 223 L C -1.724 174.904 176.870 -0.404 0.000 0.954 223 L CA -0.589 53.996 54.840 -0.426 0.000 0.852 223 L CB 2.216 44.240 42.059 -0.059 0.000 1.282 223 L HN 0.783 nan 8.230 nan 0.000 0.403 224 L N 6.237 127.262 121.223 -0.329 0.000 2.490 224 L HA 0.406 4.654 4.340 -0.153 0.000 0.256 224 L C -2.358 174.374 176.870 -0.229 0.000 1.089 224 L CA -1.591 53.083 54.840 -0.277 0.000 0.916 224 L CB 1.554 43.461 42.059 -0.253 0.000 1.188 224 L HN 0.312 nan 8.230 nan 0.000 0.476 225 P HA 0.095 nan 4.420 nan 0.000 0.264 225 P C -0.377 176.526 177.300 -0.661 0.000 1.193 225 P CA 0.345 62.861 63.100 -0.974 0.000 0.763 225 P CB 1.039 31.884 31.700 -1.424 0.000 0.810 226 I N 4.495 124.663 120.570 -0.671 0.000 2.304 226 I HA 0.278 4.356 4.170 -0.153 0.000 0.291 226 I C 0.977 176.675 176.117 -0.697 0.000 1.018 226 I CA -0.336 60.659 61.300 -0.508 0.000 1.260 226 I CB 0.358 38.212 38.000 -0.244 0.000 1.390 226 I HN 0.331 nan 8.210 nan 0.000 0.475 227 H N 6.049 124.688 119.070 -0.718 0.000 2.731 227 H HA 0.566 5.029 4.556 -0.155 0.000 0.368 227 H C -0.926 174.080 175.328 -0.536 0.000 1.168 227 H CA -0.584 55.089 56.048 -0.625 0.000 1.181 227 H CB 2.627 31.958 29.762 -0.720 0.000 1.743 227 H HN 0.602 nan 8.280 nan 0.000 0.547 228 Q N 0.813 120.640 119.800 0.045 0.000 2.534 228 Q HA 0.468 4.716 4.340 -0.153 0.000 0.290 228 Q C -1.679 174.486 176.000 0.276 0.000 0.991 228 Q CA -0.855 55.052 55.803 0.174 0.000 0.783 228 Q CB 2.980 31.761 28.738 0.072 0.000 1.470 228 Q HN 0.565 nan 8.270 nan 0.000 0.406 229 T N 0.083 114.784 114.554 0.245 0.000 2.916 229 T HA 0.384 4.642 4.350 -0.153 0.000 0.305 229 T C -0.590 174.211 174.700 0.169 0.000 1.119 229 T CA 0.718 62.964 62.100 0.243 0.000 1.008 229 T CB 1.214 70.201 68.868 0.199 0.000 1.129 229 T HN 0.833 nan 8.240 nan 0.000 0.480 230 D N 1.262 121.774 120.400 0.187 0.000 4.018 230 D HA -0.191 4.357 4.640 -0.153 0.000 0.207 230 D C 0.629 176.951 176.300 0.037 0.000 1.219 230 D CA 2.503 56.565 54.000 0.105 0.000 2.366 230 D CB -1.028 39.818 40.800 0.077 0.000 1.202 230 D HN 0.784 nan 8.370 nan 0.000 0.414 231 D N -0.371 120.042 120.400 0.022 0.000 2.454 231 D HA 0.415 4.963 4.640 -0.153 0.000 0.219 231 D C 1.477 177.757 176.300 -0.034 0.000 1.081 231 D CA 1.265 55.258 54.000 -0.012 0.000 0.867 231 D CB 0.462 41.260 40.800 -0.005 0.000 1.054 231 D HN 0.675 nan 8.370 nan 0.000 0.500 232 G N 1.173 109.958 108.800 -0.025 0.000 2.244 232 G HA2 -0.138 3.730 3.960 -0.153 0.000 0.163 232 G HA3 -0.138 3.730 3.960 -0.153 0.000 0.163 232 G C -0.375 174.495 174.900 -0.050 0.000 1.064 232 G CA -0.264 44.801 45.100 -0.059 0.000 0.757 232 G HN 0.416 nan 8.290 nan 0.000 0.484 233 E N 0.614 120.803 120.200 -0.018 0.000 2.343 233 E HA 0.633 4.891 4.350 -0.153 0.000 0.269 233 E C -0.631 175.915 176.600 -0.090 0.000 1.047 233 E CA -0.330 56.055 56.400 -0.025 0.000 0.874 233 E CB 1.687 31.400 29.700 0.021 0.000 1.033 233 E HN 0.333 nan 8.360 nan 0.000 0.409 234 L N 3.296 124.347 121.223 -0.287 0.000 2.381 234 L HA 0.657 4.905 4.340 -0.153 0.000 0.268 234 L C -0.665 175.847 176.870 -0.597 0.000 0.997 234 L CA -0.905 53.500 54.840 -0.725 0.000 0.818 234 L CB 1.287 42.323 42.059 -1.705 0.000 1.310 234 L HN 0.742 nan 8.230 nan 0.000 0.416 235 F N 0.573 120.112 119.950 -0.686 0.000 2.807 235 F HA 0.604 5.040 4.527 -0.152 0.000 0.316 235 F C -1.611 174.149 175.800 -0.067 0.000 1.162 235 F CA -1.205 56.671 58.000 -0.206 0.000 0.910 235 F CB 0.904 39.854 39.000 -0.082 0.000 1.314 235 F HN 0.099 nan 8.300 nan 0.000 0.454 236 I N 1.576 122.208 120.570 0.103 0.000 2.331 236 I HA 0.211 4.289 4.170 -0.153 0.000 0.292 236 I C -0.596 175.395 176.117 -0.210 0.000 0.998 236 I CA -0.136 61.112 61.300 -0.087 0.000 1.267 236 I CB 1.063 39.140 38.000 0.128 0.000 1.386 236 I HN 0.547 nan 8.210 nan 0.000 0.476 237 D N 5.507 125.590 120.400 -0.529 0.000 2.619 237 D HA 0.179 4.727 4.640 -0.153 0.000 0.224 237 D C 0.102 175.820 176.300 -0.971 0.000 1.133 237 D CA 0.677 54.310 54.000 -0.612 0.000 1.017 237 D CB 0.034 40.463 40.800 -0.619 0.000 1.077 237 D HN 0.623 nan 8.370 nan 0.000 0.503 238 T N 0.148 113.840 114.554 -1.436 0.000 0.541 238 T HA -0.222 4.036 4.350 -0.153 0.000 0.774 238 T C -0.723 173.198 174.700 -1.298 0.000 0.992 238 T CA -0.232 60.674 62.100 -1.990 0.000 4.077 238 T CB -0.879 67.233 68.868 -1.261 0.000 2.303 238 T HN 0.444 nan 8.240 nan 0.000 0.398 239 C N 4.535 123.267 119.300 -0.947 0.000 2.456 239 C HA 0.884 5.252 4.460 -0.153 0.000 0.325 239 C C -0.987 173.632 174.990 -0.618 0.000 1.217 239 C CA -0.674 58.049 59.018 -0.491 0.000 1.687 239 C CB 0.426 28.046 27.740 -0.200 0.000 2.270 239 C HN 0.904 nan 8.230 nan 0.000 0.499 240 L N 5.175 126.178 121.223 -0.366 0.000 2.381 240 L HA 0.604 4.852 4.340 -0.153 0.000 0.274 240 L C 1.087 177.931 176.870 -0.044 0.000 0.988 240 L CA 0.362 55.091 54.840 -0.185 0.000 0.824 240 L CB 2.070 44.084 42.059 -0.074 0.000 1.263 240 L HN 1.036 nan 8.230 nan 0.000 0.410 241 T N -2.574 112.053 114.554 0.122 0.000 3.176 241 T HA 0.112 4.370 4.350 -0.153 0.000 0.259 241 T C 0.893 175.651 174.700 0.097 0.000 0.978 241 T CA 0.115 62.309 62.100 0.157 0.000 1.050 241 T CB 0.041 69.060 68.868 0.251 0.000 1.136 241 T HN 0.394 nan 8.240 nan 0.000 0.465 242 T N 1.770 116.377 114.554 0.089 0.000 2.856 242 T HA 0.210 4.468 4.350 -0.153 0.000 0.306 242 T C 1.554 176.256 174.700 0.004 0.000 1.062 242 T CA 0.393 62.513 62.100 0.034 0.000 1.083 242 T CB 0.654 69.535 68.868 0.021 0.000 0.984 242 T HN 0.262 nan 8.240 nan 0.000 0.542 243 T N 3.080 117.628 114.554 -0.011 0.000 2.699 243 T HA -0.121 4.137 4.350 -0.153 0.000 0.268 243 T C 2.058 176.730 174.700 -0.046 0.000 1.036 243 T CA 1.667 63.750 62.100 -0.029 0.000 1.147 243 T CB -0.576 68.281 68.868 -0.018 0.000 0.862 243 T HN 0.712 nan 8.240 nan 0.000 0.446 244 A N 1.405 124.183 122.820 -0.071 0.000 2.067 244 A HA -0.103 4.125 4.320 -0.153 0.000 0.219 244 A C 2.084 179.531 177.584 -0.228 0.000 1.158 244 A CA 1.440 53.358 52.037 -0.199 0.000 0.661 244 A CB -0.375 18.450 19.000 -0.291 0.000 0.801 244 A HN 0.697 nan 8.150 nan 0.000 0.452 245 E N 0.401 120.538 120.200 -0.105 0.000 2.051 245 E HA -0.149 4.109 4.350 -0.153 0.000 0.192 245 E C 2.254 178.839 176.600 -0.024 0.000 0.991 245 E CA 1.039 57.409 56.400 -0.051 0.000 0.799 245 E CB -0.497 29.203 29.700 0.000 0.000 0.748 245 E HN 0.558 nan 8.360 nan 0.000 0.449 246 A N 1.916 124.721 122.820 -0.026 0.000 1.948 246 A HA -0.235 3.993 4.320 -0.153 0.000 0.220 246 A C 2.433 180.049 177.584 0.052 0.000 1.177 246 A CA 2.001 54.033 52.037 -0.007 0.000 0.636 246 A CB -0.668 18.261 19.000 -0.119 0.000 0.815 246 A HN 0.228 nan 8.150 nan 0.000 0.449 247 S N -0.274 115.449 115.700 0.038 0.000 2.359 247 S HA -0.178 4.200 4.470 -0.153 0.000 0.224 247 S C 1.890 176.548 174.600 0.097 0.000 1.035 247 S CA 1.449 59.711 58.200 0.104 0.000 1.018 247 S CB -0.536 62.792 63.200 0.214 0.000 0.876 247 S HN 0.643 nan 8.310 nan 0.000 0.448 248 I N 1.385 121.988 120.570 0.054 0.000 2.546 248 I HA -0.053 4.025 4.170 -0.153 0.000 0.255 248 I C 2.198 178.320 176.117 0.009 0.000 1.163 248 I CA 0.773 62.081 61.300 0.014 0.000 1.457 248 I CB -0.015 37.990 38.000 0.009 0.000 1.092 248 I HN 0.261 nan 8.210 nan 0.000 0.434 249 V N -0.260 119.670 119.914 0.027 0.000 2.649 249 V HA -0.110 3.918 4.120 -0.153 0.000 0.248 249 V C 1.487 177.527 176.094 -0.090 0.000 1.054 249 V CA 1.482 63.715 62.300 -0.112 0.000 1.073 249 V CB -0.455 31.169 31.823 -0.331 0.000 0.699 249 V HN 0.384 nan 8.190 nan 0.000 0.463 250 F N 1.358 121.295 119.950 -0.023 0.000 2.660 250 F HA 0.525 4.959 4.527 -0.155 0.000 0.302 250 F C 1.549 177.404 175.800 0.092 0.000 1.103 250 F CA 0.157 58.228 58.000 0.120 0.000 1.340 250 F CB -0.133 38.876 39.000 0.015 0.000 1.048 250 F HN 0.291 nan 8.300 nan 0.000 0.551 251 G N -0.062 108.813 108.800 0.125 0.000 2.606 251 G HA2 0.104 3.972 3.960 -0.153 0.000 0.252 251 G HA3 0.104 3.972 3.960 -0.153 0.000 0.252 251 G C 0.607 175.516 174.900 0.014 0.000 1.206 251 G CA -0.410 44.692 45.100 0.004 0.000 0.861 251 G HN 0.341 nan 8.290 nan 0.000 0.561 252 F N -0.742 119.260 119.950 0.087 0.000 2.456 252 F HA 0.275 4.700 4.527 -0.170 0.000 0.298 252 F C 2.183 178.003 175.800 0.033 0.000 1.104 252 F CA 0.428 58.469 58.000 0.070 0.000 1.435 252 F CB -0.454 38.581 39.000 0.058 0.000 1.078 252 F HN 0.340 nan 8.300 nan 0.000 0.546 253 A N 0.709 123.540 122.820 0.017 0.000 2.209 253 A HA 0.087 4.315 4.320 -0.153 0.000 0.212 253 A C 1.561 179.147 177.584 0.003 0.000 1.158 253 A CA -0.033 52.045 52.037 0.069 0.000 0.742 253 A CB -0.490 18.492 19.000 -0.030 0.000 0.790 253 A HN 0.153 nan 8.150 nan 0.000 0.472 254 R N 0.523 121.008 120.500 -0.025 0.000 2.822 254 R HA 0.326 4.574 4.340 -0.153 0.000 0.277 254 R C 0.240 176.464 176.300 -0.126 0.000 1.102 254 R CA 0.115 56.166 56.100 -0.081 0.000 1.207 254 R CB -0.047 30.200 30.300 -0.089 0.000 1.139 254 R HN 0.325 nan 8.270 nan 0.000 0.557 255 S N 0.133 115.728 115.700 -0.176 0.000 2.669 255 S HA 0.310 4.688 4.470 -0.153 0.000 0.270 255 S C -0.426 174.080 174.600 -0.157 0.000 1.225 255 S CA -0.574 57.486 58.200 -0.233 0.000 0.991 255 S CB 0.238 63.321 63.200 -0.196 0.000 0.987 255 S HN 0.248 nan 8.310 nan 0.000 0.552 256 Y N 0.468 120.750 120.300 -0.028 0.000 2.397 256 Y HA 0.289 4.761 4.550 -0.130 0.000 0.335 256 Y C 0.342 176.236 175.900 -0.011 0.000 1.213 256 Y CA -0.990 57.134 58.100 0.039 0.000 1.391 256 Y CB -0.051 38.476 38.460 0.111 0.000 1.293 256 Y HN 0.443 nan 8.280 nan 0.000 0.557 257 F N 1.996 122.093 119.950 0.245 0.000 2.380 257 F HA 0.295 4.730 4.527 -0.152 0.000 0.325 257 F C 0.412 176.287 175.800 0.125 0.000 1.136 257 F CA -0.643 57.450 58.000 0.154 0.000 1.171 257 F CB 0.867 39.969 39.000 0.171 0.000 1.230 257 F HN 0.339 nan 8.300 nan 0.000 0.554 258 M N 4.072 123.932 119.600 0.435 0.000 2.488 258 M HA 0.359 4.746 4.480 -0.153 0.000 0.204 258 M C -1.740 174.629 176.300 0.115 0.000 0.969 258 M CA -0.062 55.357 55.300 0.198 0.000 0.720 258 M CB 0.697 33.397 32.600 0.166 0.000 1.427 258 M HN 0.232 nan 8.290 nan 0.000 0.427 259 V N 2.440 122.305 119.914 -0.081 0.000 2.513 259 V HA 0.422 4.450 4.120 -0.153 0.000 0.299 259 V C -1.519 174.510 176.094 -0.108 0.000 1.035 259 V CA -0.553 61.574 62.300 -0.289 0.000 0.889 259 V CB 1.682 32.877 31.823 -1.046 0.000 0.988 259 V HN 0.567 nan 8.190 nan 0.000 0.440 260 Y N 6.466 126.668 120.300 -0.164 0.000 2.556 260 Y HA 0.649 5.107 4.550 -0.153 0.000 0.352 260 Y C 0.231 176.085 175.900 -0.077 0.000 1.006 260 Y CA 0.119 58.153 58.100 -0.110 0.000 1.277 260 Y CB 0.468 38.869 38.460 -0.099 0.000 1.136 260 Y HN 0.805 nan 8.280 nan 0.000 0.523 261 A N 7.547 130.271 122.820 -0.160 0.000 2.353 261 A HA 0.526 4.754 4.320 -0.153 0.000 0.299 261 A C -2.569 174.958 177.584 -0.095 0.000 1.089 261 A CA -1.723 50.263 52.037 -0.085 0.000 0.736 261 A CB 1.349 20.346 19.000 -0.006 0.000 1.195 261 A HN 0.609 nan 8.150 nan 0.000 0.447 262 P HA 0.152 nan 4.420 nan 0.000 0.253 262 P C -0.361 176.992 177.300 0.088 0.000 1.281 262 P CA 0.490 63.614 63.100 0.039 0.000 0.792 262 P CB -0.230 31.465 31.700 -0.009 0.000 1.193 263 L N -5.543 115.720 121.223 0.067 0.000 2.613 263 L HA 0.478 4.726 4.340 -0.153 0.000 0.275 263 L C -2.207 174.687 176.870 0.040 0.000 1.453 263 L CA -1.691 53.174 54.840 0.042 0.000 0.725 263 L CB 0.107 42.188 42.059 0.036 0.000 1.013 263 L HN -0.291 nan 8.230 nan 0.000 0.520 264 P HA -0.334 nan 4.420 nan 0.000 0.219 264 P C 1.773 179.047 177.300 -0.042 0.000 1.153 264 P CA 2.610 65.727 63.100 0.029 0.000 0.865 264 P CB 0.257 32.012 31.700 0.091 0.000 0.788 265 A N -0.196 122.632 122.820 0.013 0.000 1.940 265 A HA -0.125 4.103 4.320 -0.153 0.000 0.219 265 A C 2.399 180.007 177.584 0.040 0.000 1.176 265 A CA 2.332 54.389 52.037 0.034 0.000 0.631 265 A CB -1.412 17.625 19.000 0.062 0.000 0.814 265 A HN 0.261 nan 8.150 nan 0.000 0.446 266 A N -0.855 121.998 122.820 0.055 0.000 1.897 266 A HA 0.093 4.321 4.320 -0.153 0.000 0.215 266 A C 2.101 179.766 177.584 0.135 0.000 1.181 266 A CA 1.587 53.677 52.037 0.089 0.000 0.620 266 A CB -0.527 18.514 19.000 0.067 0.000 0.821 266 A HN 0.594 nan 8.150 nan 0.000 0.443 267 L N -0.085 121.196 121.223 0.097 0.000 2.044 267 L HA -0.053 4.195 4.340 -0.153 0.000 0.205 267 L C 2.398 179.380 176.870 0.186 0.000 1.075 267 L CA 1.693 56.631 54.840 0.162 0.000 0.747 267 L CB -0.697 41.424 42.059 0.102 0.000 0.903 267 L HN 0.147 nan 8.230 nan 0.000 0.435 268 V N -0.056 119.855 119.914 -0.004 0.000 2.231 268 V HA -0.361 3.667 4.120 -0.153 0.000 0.248 268 V C 2.627 178.728 176.094 0.011 0.000 1.054 268 V CA 2.308 64.544 62.300 -0.107 0.000 1.015 268 V CB -0.613 30.918 31.823 -0.488 0.000 0.638 268 V HN 0.565 nan 8.190 nan 0.000 0.444 269 E N -1.566 118.661 120.200 0.046 0.000 2.150 269 E HA -0.268 3.990 4.350 -0.153 0.000 0.193 269 E C 1.975 178.640 176.600 0.108 0.000 0.985 269 E CA 1.447 57.889 56.400 0.071 0.000 0.814 269 E CB -0.178 29.573 29.700 0.085 0.000 0.752 269 E HN 0.729 nan 8.360 nan 0.000 0.466 270 W N 0.915 122.215 121.300 -0.001 0.000 2.355 270 W HA -0.170 4.396 4.660 -0.157 0.000 0.309 270 W C 1.531 178.043 176.519 -0.013 0.000 1.206 270 W CA 1.265 58.616 57.345 0.011 0.000 1.284 270 W CB -0.324 29.159 29.460 0.038 0.000 1.145 270 W HN 0.007 nan 8.180 nan 0.000 0.502 271 L N 1.454 122.654 121.223 -0.038 0.000 2.549 271 L HA -0.150 4.098 4.340 -0.153 0.000 0.230 271 L C 2.688 179.305 176.870 -0.422 0.000 1.162 271 L CA 0.759 55.350 54.840 -0.415 0.000 0.834 271 L CB -0.829 41.151 42.059 -0.132 0.000 0.947 271 L HN -0.047 nan 8.230 nan 0.000 0.452 272 R N 0.553 120.893 120.500 -0.267 0.000 2.103 272 R HA -0.213 4.035 4.340 -0.153 0.000 0.234 272 R C 1.925 178.098 176.300 -0.212 0.000 1.132 272 R CA 1.860 57.848 56.100 -0.186 0.000 0.925 272 R CB -0.630 29.611 30.300 -0.099 0.000 0.842 272 R HN 0.481 nan 8.270 nan 0.000 0.430 273 E N 0.815 120.881 120.200 -0.223 0.000 2.396 273 E HA -0.159 4.099 4.350 -0.153 0.000 0.200 273 E C 1.942 178.422 176.600 -0.200 0.000 1.023 273 E CA 0.838 57.130 56.400 -0.180 0.000 0.857 273 E CB -0.355 29.248 29.700 -0.162 0.000 0.775 273 E HN 0.507 nan 8.360 nan 0.000 0.525 274 I N -0.405 119.993 120.570 -0.286 0.000 2.058 274 I HA -0.172 3.906 4.170 -0.153 0.000 0.235 274 I C 1.170 177.172 176.117 -0.193 0.000 1.053 274 I CA 1.091 62.227 61.300 -0.273 0.000 1.313 274 I CB -0.355 37.408 38.000 -0.395 0.000 1.039 274 I HN -0.032 nan 8.210 nan 0.000 0.396 275 L N 0.203 121.301 121.223 -0.207 0.000 2.294 275 L HA 0.618 4.866 4.340 -0.153 0.000 0.283 275 L C -2.522 174.290 176.870 -0.097 0.000 1.015 275 L CA -1.808 52.958 54.840 -0.122 0.000 0.831 275 L CB 1.051 43.046 42.059 -0.106 0.000 1.217 275 L HN -0.055 nan 8.230 nan 0.000 0.420 276 P HA 0.087 nan 4.420 nan 0.000 0.246 276 P C 0.297 177.589 177.300 -0.012 0.000 1.675 276 P CA 0.281 63.356 63.100 -0.041 0.000 0.908 276 P CB -0.195 31.490 31.700 -0.025 0.000 1.890 277 G N 1.852 110.643 108.800 -0.015 0.000 2.504 277 G HA2 0.313 4.181 3.960 -0.153 0.000 0.326 277 G HA3 0.313 4.181 3.960 -0.153 0.000 0.326 277 G C 0.281 175.203 174.900 0.037 0.000 1.073 277 G CA -0.297 44.817 45.100 0.023 0.000 1.030 277 G HN -0.016 nan 8.290 nan 0.000 0.448 278 K N 0.121 120.549 120.400 0.047 0.000 1.844 278 K HA -0.261 3.967 4.320 -0.153 0.000 0.160 278 K C 1.067 177.704 176.600 0.062 0.000 1.448 278 K CA 1.696 58.020 56.287 0.061 0.000 0.446 278 K CB -1.991 30.551 32.500 0.071 0.000 0.635 278 K HN 0.951 nan 8.250 nan 0.000 0.848 279 T N -2.763 111.838 114.554 0.079 0.000 2.797 279 T HA 0.480 4.738 4.350 -0.153 0.000 0.267 279 T C 1.366 176.137 174.700 0.119 0.000 0.986 279 T CA 0.228 62.385 62.100 0.095 0.000 0.999 279 T CB 1.274 70.204 68.868 0.104 0.000 1.508 279 T HN 0.494 nan 8.240 nan 0.000 0.595 280 T N 0.236 114.878 114.554 0.147 0.000 3.010 280 T HA 0.282 4.540 4.350 -0.153 0.000 0.252 280 T C 2.363 177.253 174.700 0.317 0.000 1.047 280 T CA 0.555 62.796 62.100 0.234 0.000 1.140 280 T CB -0.731 68.263 68.868 0.210 0.000 0.885 280 T HN 0.736 nan 8.240 nan 0.000 0.464 281 A N 2.061 124.987 122.820 0.175 0.000 2.015 281 A HA -0.080 4.148 4.320 -0.153 0.000 0.219 281 A C 2.152 179.860 177.584 0.206 0.000 1.163 281 A CA 1.251 53.378 52.037 0.149 0.000 0.646 281 A CB -0.451 18.605 19.000 0.094 0.000 0.806 281 A HN 0.607 nan 8.150 nan 0.000 0.448 282 E N -0.740 119.574 120.200 0.191 0.000 2.076 282 E HA -0.089 4.169 4.350 -0.153 0.000 0.190 282 E C 1.720 178.466 176.600 0.243 0.000 0.979 282 E CA 0.955 57.480 56.400 0.209 0.000 0.807 282 E CB -0.207 29.600 29.700 0.177 0.000 0.761 282 E HN 0.449 nan 8.360 nan 0.000 0.454 283 L N 0.019 121.370 121.223 0.213 0.000 2.395 283 L HA -0.018 4.230 4.340 -0.153 0.000 0.218 283 L C 1.430 178.401 176.870 0.168 0.000 1.130 283 L CA 1.350 56.291 54.840 0.168 0.000 0.826 283 L CB -0.188 41.916 42.059 0.075 0.000 0.941 283 L HN 0.062 nan 8.230 nan 0.000 0.451 284 Y N -1.278 119.114 120.300 0.154 0.000 2.231 284 Y HA -0.131 4.324 4.550 -0.158 0.000 0.294 284 Y C 2.551 178.560 175.900 0.183 0.000 1.120 284 Y CA 1.839 60.038 58.100 0.166 0.000 1.141 284 Y CB -0.206 38.327 38.460 0.122 0.000 1.022 284 Y HN 0.181 nan 8.280 nan 0.000 0.523 285 M N -0.029 119.774 119.600 0.338 0.000 2.279 285 M HA -0.122 4.266 4.480 -0.153 0.000 0.264 285 M C 1.936 178.420 176.300 0.307 0.000 1.062 285 M CA 1.802 57.252 55.300 0.249 0.000 1.099 285 M CB -0.200 32.557 32.600 0.263 0.000 1.394 285 M HN 0.207 nan 8.290 nan 0.000 0.426 286 A N 0.334 123.378 122.820 0.375 0.000 2.234 286 A HA -0.078 4.150 4.320 -0.153 0.000 0.216 286 A C 1.412 179.292 177.584 0.494 0.000 1.167 286 A CA 1.119 53.446 52.037 0.483 0.000 0.698 286 A CB -0.645 18.694 19.000 0.565 0.000 0.779 286 A HN 0.598 nan 8.150 nan 0.000 0.475 287 I N -2.707 118.084 120.570 0.368 0.000 4.154 287 I HA 0.286 4.364 4.170 -0.153 0.000 0.334 287 I C 1.659 177.934 176.117 0.263 0.000 1.371 287 I CA 0.392 61.891 61.300 0.331 0.000 1.110 287 I CB 0.144 38.310 38.000 0.277 0.000 1.085 287 I HN 0.391 nan 8.210 nan 0.000 0.398 288 G N 0.020 108.877 108.800 0.095 0.000 2.213 288 G HA2 -0.251 3.617 3.960 -0.153 0.000 0.226 288 G HA3 -0.251 3.617 3.960 -0.153 0.000 0.226 288 G C 0.673 175.546 174.900 -0.045 0.000 0.992 288 G CA 0.050 45.019 45.100 -0.218 0.000 0.632 288 G HN 0.282 nan 8.290 nan 0.000 0.511 289 C N 2.467 121.866 119.300 0.164 0.000 2.896 289 C HA 0.391 4.759 4.460 -0.153 0.000 0.499 289 C C 1.858 176.949 174.990 0.168 0.000 1.022 289 C CA 0.505 59.646 59.018 0.204 0.000 1.127 289 C CB -0.730 27.248 27.740 0.398 0.000 1.452 289 C HN 0.610 nan 8.230 nan 0.000 0.580 290 Q N 1.378 121.186 119.800 0.014 0.000 2.331 290 Q HA -0.026 4.222 4.340 -0.153 0.000 0.203 290 Q C 1.647 177.649 176.000 0.004 0.000 0.944 290 Q CA 0.913 56.725 55.803 0.016 0.000 0.892 290 Q CB 0.202 28.915 28.738 -0.043 0.000 0.983 290 Q HN 0.708 nan 8.270 nan 0.000 0.482 291 K N -0.965 119.409 120.400 -0.042 0.000 2.404 291 K HA -0.035 4.193 4.320 -0.153 0.000 0.194 291 K C 0.871 177.520 176.600 0.083 0.000 1.023 291 K CA 0.305 56.523 56.287 -0.115 0.000 1.094 291 K CB 0.246 32.442 32.500 -0.507 0.000 0.841 291 K HN 0.130 nan 8.250 nan 0.000 0.523 292 H N 0.367 119.417 119.070 -0.033 0.000 2.705 292 H HA 0.327 4.790 4.556 -0.155 0.000 0.269 292 H C 1.401 176.626 175.328 -0.171 0.000 0.998 292 H CA 0.124 56.092 56.048 -0.133 0.000 1.193 292 H CB 0.478 30.085 29.762 -0.258 0.000 1.485 292 H HN 0.169 nan 8.280 nan 0.000 0.521 293 A N 0.204 123.011 122.820 -0.021 0.000 1.911 293 A HA 0.039 4.267 4.320 -0.153 0.000 0.212 293 A C 2.022 179.652 177.584 0.077 0.000 1.189 293 A CA 0.668 52.712 52.037 0.012 0.000 0.639 293 A CB -0.138 18.924 19.000 0.102 0.000 0.839 293 A HN 0.248 nan 8.150 nan 0.000 0.449 294 K N -0.625 119.828 120.400 0.089 0.000 2.585 294 K HA -0.035 4.193 4.320 -0.153 0.000 0.194 294 K C 1.342 178.099 176.600 0.261 0.000 1.037 294 K CA 1.298 57.677 56.287 0.154 0.000 0.964 294 K CB -0.072 32.426 32.500 -0.003 0.000 0.787 294 K HN 0.492 nan 8.250 nan 0.000 0.488 295 T N -0.632 114.037 114.554 0.191 0.000 3.156 295 T HA 0.032 4.290 4.350 -0.153 0.000 0.236 295 T C 1.088 175.934 174.700 0.243 0.000 0.978 295 T CA 0.230 62.468 62.100 0.230 0.000 1.240 295 T CB 0.122 69.111 68.868 0.202 0.000 0.951 295 T HN 0.172 nan 8.240 nan 0.000 0.420 296 E N 1.237 121.477 120.200 0.065 0.000 2.268 296 E HA -0.048 4.210 4.350 -0.153 0.000 0.195 296 E C 1.927 178.624 176.600 0.162 0.000 0.995 296 E CA 0.712 57.147 56.400 0.057 0.000 0.836 296 E CB 0.067 29.662 29.700 -0.174 0.000 0.763 296 E HN 0.286 nan 8.360 nan 0.000 0.491 297 S N -0.209 115.603 115.700 0.186 0.000 2.515 297 S HA -0.088 4.290 4.470 -0.153 0.000 0.231 297 S C 1.299 176.090 174.600 0.319 0.000 0.987 297 S CA 0.307 58.644 58.200 0.228 0.000 0.936 297 S CB -0.073 63.246 63.200 0.199 0.000 0.766 297 S HN 0.358 nan 8.310 nan 0.000 0.528 298 Y N 1.720 122.164 120.300 0.240 0.000 2.397 298 Y HA 0.134 4.588 4.550 -0.159 0.000 0.292 298 Y C 2.372 178.467 175.900 0.325 0.000 1.115 298 Y CA 0.670 58.922 58.100 0.253 0.000 1.208 298 Y CB 0.125 38.686 38.460 0.168 0.000 1.046 298 Y HN -0.017 nan 8.280 nan 0.000 0.552 299 R N 1.006 121.749 120.500 0.405 0.000 2.061 299 R HA -0.130 4.118 4.340 -0.153 0.000 0.230 299 R C 1.935 178.390 176.300 0.258 0.000 1.140 299 R CA 1.951 58.248 56.100 0.330 0.000 0.940 299 R CB -0.816 29.685 30.300 0.334 0.000 0.839 299 R HN 0.524 nan 8.270 nan 0.000 0.429 300 E N -0.632 119.721 120.200 0.254 0.000 2.209 300 E HA -0.243 4.015 4.350 -0.153 0.000 0.196 300 E C 1.802 178.585 176.600 0.304 0.000 0.993 300 E CA 1.135 57.690 56.400 0.258 0.000 0.819 300 E CB -0.396 29.446 29.700 0.237 0.000 0.745 300 E HN 0.422 nan 8.360 nan 0.000 0.477 301 Y N 1.610 121.996 120.300 0.143 0.000 2.163 301 Y HA -0.144 4.316 4.550 -0.150 0.000 0.288 301 Y C 1.963 177.834 175.900 -0.049 0.000 1.136 301 Y CA 1.300 59.429 58.100 0.049 0.000 1.147 301 Y CB -0.165 38.212 38.460 -0.138 0.000 0.987 301 Y HN -0.100 nan 8.280 nan 0.000 0.509 302 L N -1.051 120.136 121.223 -0.059 0.000 2.023 302 L HA -0.163 4.085 4.340 -0.153 0.000 0.205 302 L C 2.409 179.227 176.870 -0.088 0.000 1.073 302 L CA 1.065 55.807 54.840 -0.163 0.000 0.745 302 L CB -0.809 41.257 42.059 0.012 0.000 0.900 302 L HN 0.103 nan 8.230 nan 0.000 0.435 303 V N -0.377 119.558 119.914 0.035 0.000 2.231 303 V HA -0.407 3.621 4.120 -0.153 0.000 0.250 303 V C 2.238 178.341 176.094 0.015 0.000 1.058 303 V CA 2.413 64.740 62.300 0.045 0.000 1.022 303 V CB -0.891 30.991 31.823 0.099 0.000 0.640 303 V HN 0.439 nan 8.190 nan 0.000 0.445 304 Y N 1.306 121.558 120.300 -0.080 0.000 2.030 304 Y HA -0.268 4.192 4.550 -0.149 0.000 0.272 304 Y C 1.873 177.682 175.900 -0.151 0.000 1.185 304 Y CA 1.905 59.946 58.100 -0.099 0.000 1.120 304 Y CB -0.148 38.234 38.460 -0.130 0.000 0.955 304 Y HN 0.205 nan 8.280 nan 0.000 0.495 305 L N 1.930 123.184 121.223 0.052 0.000 2.645 305 L HA 0.033 4.281 4.340 -0.153 0.000 0.235 305 L C 1.931 178.756 176.870 -0.075 0.000 1.150 305 L CA 0.927 55.769 54.840 0.004 0.000 0.911 305 L CB -2.075 39.934 42.059 -0.082 0.000 1.077 305 L HN 0.582 nan 8.230 nan 0.000 0.438 306 Q N 0.730 120.468 119.800 -0.103 0.000 2.187 306 Q HA 0.007 4.255 4.340 -0.153 0.000 0.199 306 Q C 1.454 177.420 176.000 -0.058 0.000 0.957 306 Q CA 1.558 57.315 55.803 -0.076 0.000 0.857 306 Q CB -0.139 28.563 28.738 -0.060 0.000 0.929 306 Q HN 0.323 nan 8.270 nan 0.000 0.453 307 G N -0.362 108.384 108.800 -0.090 0.000 3.735 307 G HA2 0.280 4.148 3.960 -0.153 0.000 0.283 307 G HA3 0.280 4.148 3.960 -0.153 0.000 0.283 307 G C -0.652 174.186 174.900 -0.102 0.000 1.007 307 G CA -0.366 44.687 45.100 -0.079 0.000 0.821 307 G HN 0.266 nan 8.290 nan 0.000 0.505 308 C N 1.174 120.407 119.300 -0.111 0.000 2.358 308 C HA 0.355 4.723 4.460 -0.153 0.000 0.342 308 C C 1.213 176.173 174.990 -0.050 0.000 1.234 308 C CA -0.873 58.075 59.018 -0.118 0.000 1.969 308 C CB 0.883 28.491 27.740 -0.220 0.000 2.346 308 C HN 0.653 nan 8.230 nan 0.000 0.525 309 N N 1.367 120.021 118.700 -0.077 0.000 2.279 309 N HA 0.001 4.649 4.740 -0.153 0.000 0.226 309 N C 0.350 175.772 175.510 -0.148 0.000 1.126 309 N CA -0.248 52.740 53.050 -0.103 0.000 0.846 309 N CB 0.494 38.939 38.487 -0.070 0.000 1.050 309 N HN 0.808 nan 8.380 nan 0.000 0.502 310 E N 1.488 121.598 120.200 -0.150 0.000 3.196 310 E HA 0.176 4.434 4.350 -0.153 0.000 0.268 310 E C -0.510 175.916 176.600 -0.290 0.000 1.430 310 E CA 0.176 56.489 56.400 -0.145 0.000 1.176 310 E CB 0.720 30.386 29.700 -0.056 0.000 1.228 310 E HN 0.231 nan 8.360 nan 0.000 0.730 311 Q N -1.377 118.317 119.800 -0.177 0.000 2.626 311 Q HA 0.389 4.637 4.340 -0.153 0.000 0.300 311 Q C -1.171 174.819 176.000 -0.017 0.000 0.988 311 Q CA -0.811 54.937 55.803 -0.093 0.000 0.761 311 Q CB 1.498 30.221 28.738 -0.026 0.000 1.494 311 Q HN 0.430 nan 8.270 nan 0.000 0.439 312 F N 1.670 121.663 119.950 0.071 0.000 2.404 312 F HA 0.480 4.912 4.527 -0.157 0.000 0.345 312 F C 0.394 176.263 175.800 0.116 0.000 1.110 312 F CA -0.435 57.646 58.000 0.134 0.000 1.130 312 F CB 0.733 39.816 39.000 0.140 0.000 1.129 312 F HN 0.309 nan 8.300 nan 0.000 0.500 313 I N -1.094 119.647 120.570 0.285 0.000 3.174 313 I HA 0.550 4.628 4.170 -0.153 0.000 0.313 313 I C -0.805 175.460 176.117 0.247 0.000 1.155 313 I CA -1.390 60.038 61.300 0.212 0.000 0.977 313 I CB 1.822 39.898 38.000 0.127 0.000 1.248 313 I HN 0.438 nan 8.210 nan 0.000 0.453 314 E N 2.079 122.392 120.200 0.189 0.000 2.373 314 E HA 0.493 4.751 4.350 -0.153 0.000 0.267 314 E C -0.206 176.474 176.600 0.133 0.000 1.032 314 E CA -0.418 56.090 56.400 0.180 0.000 0.889 314 E CB 1.124 30.905 29.700 0.135 0.000 0.984 314 E HN 0.824 nan 8.360 nan 0.000 0.425 315 A N 5.511 128.397 122.820 0.110 0.000 2.488 315 A HA 0.298 4.525 4.320 -0.153 0.000 0.249 315 A C -2.095 175.527 177.584 0.062 0.000 1.083 315 A CA -1.182 50.893 52.037 0.064 0.000 0.768 315 A CB -0.224 18.781 19.000 0.008 0.000 1.017 315 A HN 0.595 nan 8.150 nan 0.000 0.496 316 P HA 0.460 nan 4.420 nan 0.000 0.272 316 P C 0.698 178.048 177.300 0.083 0.000 1.248 316 P CA 1.080 64.225 63.100 0.074 0.000 0.799 316 P CB 0.317 32.063 31.700 0.076 0.000 0.997 317 G N -1.216 107.641 108.800 0.094 0.000 2.434 317 G HA2 -0.079 3.789 3.960 -0.153 0.000 0.671 317 G HA3 -0.079 3.789 3.960 -0.153 0.000 0.671 317 G C -1.091 173.869 174.900 0.101 0.000 1.280 317 G CA -0.735 44.432 45.100 0.113 0.000 0.975 317 G HN 0.493 nan 8.290 nan 0.000 0.510 318 I N 1.419 122.057 120.570 0.113 0.000 2.301 318 I HA 0.277 4.355 4.170 -0.153 0.000 0.292 318 I C 1.351 177.524 176.117 0.093 0.000 1.046 318 I CA -0.670 60.692 61.300 0.104 0.000 1.282 318 I CB 0.834 38.907 38.000 0.122 0.000 1.409 318 I HN 0.353 nan 8.210 nan 0.000 0.484 319 R N 4.392 124.941 120.500 0.081 0.000 2.504 319 R HA -0.045 4.203 4.340 -0.153 0.000 0.302 319 R C 0.641 176.983 176.300 0.071 0.000 0.893 319 R CA 0.082 56.225 56.100 0.072 0.000 1.138 319 R CB 0.138 30.478 30.300 0.067 0.000 0.880 319 R HN 0.867 nan 8.270 nan 0.000 0.415 320 G N 2.704 111.541 108.800 0.062 0.000 2.398 320 G HA2 0.051 3.919 3.960 -0.153 0.000 0.246 320 G HA3 0.051 3.919 3.960 -0.153 0.000 0.246 320 G C 0.870 175.806 174.900 0.061 0.000 1.289 320 G CA -0.524 44.610 45.100 0.057 0.000 0.869 320 G HN 0.659 nan 8.290 nan 0.000 0.543 321 M N 2.816 122.454 119.600 0.063 0.000 2.132 321 M HA -0.096 4.292 4.480 -0.153 0.000 0.263 321 M C 2.661 179.005 176.300 0.073 0.000 1.065 321 M CA 1.960 57.304 55.300 0.073 0.000 1.122 321 M CB -0.229 32.414 32.600 0.071 0.000 1.365 321 M HN 0.565 nan 8.290 nan 0.000 0.411 322 V N -1.450 118.495 119.914 0.051 0.000 2.219 322 V HA -0.133 3.895 4.120 -0.153 0.000 0.248 322 V C 1.098 177.205 176.094 0.022 0.000 1.053 322 V CA 1.545 63.865 62.300 0.033 0.000 1.009 322 V CB -0.660 31.173 31.823 0.017 0.000 0.636 322 V HN 0.593 nan 8.190 nan 0.000 0.445 323 M N -0.433 119.176 119.600 0.016 0.000 2.319 323 M HA 0.385 4.773 4.480 -0.153 0.000 0.265 323 M C -1.385 174.926 176.300 0.019 0.000 1.038 323 M CA -0.382 54.917 55.300 -0.003 0.000 0.946 323 M CB 1.834 34.397 32.600 -0.062 0.000 1.984 323 M HN 0.324 nan 8.290 nan 0.000 0.482 324 L N 4.873 126.126 121.223 0.050 0.000 2.534 324 L HA 0.330 4.578 4.340 -0.153 0.000 0.271 324 L C -1.293 175.672 176.870 0.159 0.000 1.178 324 L CA 0.187 55.086 54.840 0.098 0.000 0.907 324 L CB 0.580 42.701 42.059 0.103 0.000 1.164 324 L HN 0.601 nan 8.230 nan 0.000 0.482 325 V N 6.636 126.652 119.914 0.170 0.000 2.656 325 V HA 0.564 4.592 4.120 -0.153 0.000 0.307 325 V C -0.560 175.719 176.094 0.308 0.000 1.051 325 V CA -0.491 61.901 62.300 0.154 0.000 0.893 325 V CB 1.949 33.779 31.823 0.012 0.000 0.999 325 V HN 0.633 nan 8.190 nan 0.000 0.426 326 F N 2.684 122.738 119.950 0.173 0.000 2.620 326 F HA 0.990 5.430 4.527 -0.145 0.000 0.320 326 F C -0.251 175.774 175.800 0.375 0.000 1.069 326 F CA -0.512 57.630 58.000 0.236 0.000 0.953 326 F CB 2.320 41.452 39.000 0.221 0.000 1.322 326 F HN 0.439 nan 8.300 nan 0.000 0.479 327 T N 0.793 115.627 114.554 0.466 0.000 2.648 327 T HA 0.514 4.771 4.350 -0.153 0.000 0.300 327 T C -1.881 172.927 174.700 0.179 0.000 1.751 327 T CA -0.760 61.534 62.100 0.323 0.000 0.959 327 T CB 1.445 70.403 68.868 0.149 0.000 1.888 327 T HN 0.574 nan 8.240 nan 0.000 0.480 328 L N 1.239 122.518 121.223 0.094 0.000 2.303 328 L HA 0.578 4.826 4.340 -0.153 0.000 0.256 328 L C -1.566 175.341 176.870 0.061 0.000 1.034 328 L CA -1.894 52.945 54.840 -0.002 0.000 0.832 328 L CB 0.668 42.623 42.059 -0.173 0.000 1.403 328 L HN 0.358 nan 8.230 nan 0.000 0.419 329 P HA -0.093 nan 4.420 nan 0.000 0.215 329 P C 0.808 178.172 177.300 0.107 0.000 1.157 329 P CA 1.660 64.804 63.100 0.073 0.000 0.874 329 P CB 0.313 32.048 31.700 0.059 0.000 0.790 330 G N -2.693 106.211 108.800 0.173 0.000 3.519 330 G HA2 0.133 4.001 3.960 -0.153 0.000 0.269 330 G HA3 0.133 4.001 3.960 -0.153 0.000 0.269 330 G C -0.318 174.762 174.900 0.300 0.000 1.028 330 G CA -0.119 45.116 45.100 0.225 0.000 0.809 330 G HN 0.056 nan 8.290 nan 0.000 0.521 331 F N 2.866 122.770 119.950 -0.077 0.000 2.412 331 F HA 0.303 4.742 4.527 -0.147 0.000 0.348 331 F C 0.795 176.496 175.800 -0.165 0.000 1.102 331 F CA -2.097 55.719 58.000 -0.306 0.000 1.196 331 F CB 1.689 40.401 39.000 -0.478 0.000 1.144 331 F HN 0.192 nan 8.300 nan 0.000 0.541 332 D N 2.797 122.942 120.400 -0.424 0.000 2.340 332 D HA 0.039 4.587 4.640 -0.153 0.000 0.217 332 D C 0.215 176.179 176.300 -0.561 0.000 1.081 332 D CA -0.038 53.742 54.000 -0.367 0.000 0.842 332 D CB -0.142 40.533 40.800 -0.209 0.000 0.934 332 D HN 0.516 nan 8.370 nan 0.000 0.511 333 R N -0.524 119.409 120.500 -0.945 0.000 2.750 333 R HA 0.656 4.904 4.340 -0.153 0.000 0.281 333 R C -1.699 174.188 176.300 -0.689 0.000 0.972 333 R CA -1.007 54.597 56.100 -0.827 0.000 0.912 333 R CB 2.081 31.819 30.300 -0.936 0.000 1.187 333 R HN -0.074 nan 8.270 nan 0.000 0.464 334 V N 3.905 123.492 119.914 -0.546 0.000 2.547 334 V HA 0.522 4.550 4.120 -0.153 0.000 0.299 334 V C -1.153 174.589 176.094 -0.586 0.000 1.040 334 V CA -0.723 61.326 62.300 -0.419 0.000 0.913 334 V CB 1.302 32.944 31.823 -0.301 0.000 0.992 334 V HN 0.679 nan 8.190 nan 0.000 0.449 335 F N 5.060 124.717 119.950 -0.488 0.000 2.404 335 F HA 0.545 4.985 4.527 -0.145 0.000 0.339 335 F C 0.789 176.251 175.800 -0.564 0.000 1.105 335 F CA -0.412 57.149 58.000 -0.731 0.000 1.087 335 F CB 1.456 39.477 39.000 -1.631 0.000 1.143 335 F HN 0.246 nan 8.300 nan 0.000 0.491 336 K N 3.391 123.706 120.400 -0.142 0.000 2.682 336 K HA 0.244 4.472 4.320 -0.153 0.000 0.189 336 K C -0.845 175.753 176.600 -0.004 0.000 1.062 336 K CA -0.455 55.798 56.287 -0.056 0.000 0.997 336 K CB 1.600 34.081 32.500 -0.033 0.000 1.405 336 K HN 0.517 nan 8.250 nan 0.000 0.588 337 V N 2.733 122.713 119.914 0.110 0.000 2.599 337 V HA 0.082 4.110 4.120 -0.153 0.000 0.300 337 V C 0.054 176.154 176.094 0.010 0.000 1.034 337 V CA -0.199 62.160 62.300 0.099 0.000 1.115 337 V CB 0.054 32.013 31.823 0.227 0.000 0.934 337 V HN 0.324 nan 8.190 nan 0.000 0.485 338 I N 7.252 127.785 120.570 -0.060 0.000 2.496 338 I HA 0.271 4.349 4.170 -0.153 0.000 0.285 338 I C 0.707 176.837 176.117 0.023 0.000 1.080 338 I CA 0.435 61.695 61.300 -0.065 0.000 1.404 338 I CB 0.717 38.663 38.000 -0.090 0.000 1.403 338 I HN 0.675 nan 8.210 nan 0.000 0.539 339 K N 4.907 125.327 120.400 0.033 0.000 2.414 339 K HA 0.072 4.300 4.320 -0.153 0.000 0.272 339 K C -0.939 175.722 176.600 0.102 0.000 0.993 339 K CA -0.221 56.110 56.287 0.073 0.000 0.964 339 K CB 0.439 32.992 32.500 0.088 0.000 0.925 339 K HN 0.682 nan 8.250 nan 0.000 0.487 340 D N 2.880 123.345 120.400 0.109 0.000 2.350 340 D HA 0.221 4.769 4.640 -0.153 0.000 0.245 340 D C -0.823 175.561 176.300 0.139 0.000 1.036 340 D CA -0.627 53.450 54.000 0.127 0.000 0.848 340 D CB 1.317 42.172 40.800 0.093 0.000 1.307 340 D HN 0.385 nan 8.370 nan 0.000 0.469 341 K N 1.206 121.716 120.400 0.183 0.000 3.585 341 K HA -0.141 4.087 4.320 -0.153 0.000 0.275 341 K C -0.366 176.297 176.600 0.104 0.000 1.026 341 K CA 0.023 56.376 56.287 0.110 0.000 0.800 341 K CB -1.414 31.109 32.500 0.038 0.000 1.401 341 K HN 0.673 nan 8.250 nan 0.000 0.453 352 H N 1.227 120.276 119.070 -0.035 0.000 2.535 352 H HA -0.009 4.460 4.556 -0.146 0.000 0.273 352 H C 1.931 177.261 175.328 0.003 0.000 0.983 352 H CA 2.038 58.067 56.048 -0.032 0.000 1.238 352 H CB 0.677 30.392 29.762 -0.079 0.000 1.412 352 H HN 0.605 nan 8.280 nan 0.000 0.562 353 V N 0.468 120.424 119.914 0.070 0.000 2.407 353 V HA -0.127 3.901 4.120 -0.153 0.000 0.245 353 V C 2.521 178.703 176.094 0.146 0.000 1.041 353 V CA 1.066 63.412 62.300 0.076 0.000 1.040 353 V CB -0.245 31.575 31.823 -0.004 0.000 0.671 353 V HN 0.175 nan 8.190 nan 0.000 0.455 354 R N 1.008 121.631 120.500 0.205 0.000 2.136 354 R HA -0.168 4.080 4.340 -0.153 0.000 0.242 354 R C 2.328 178.721 176.300 0.155 0.000 1.131 354 R CA 2.419 58.678 56.100 0.265 0.000 0.937 354 R CB -1.477 28.860 30.300 0.061 0.000 0.863 354 R HN 0.663 nan 8.270 nan 0.000 0.435 355 A N -1.255 121.578 122.820 0.021 0.000 1.930 355 A HA -0.106 4.122 4.320 -0.153 0.000 0.215 355 A C 2.719 180.231 177.584 -0.121 0.000 1.176 355 A CA 1.260 53.259 52.037 -0.063 0.000 0.632 355 A CB -0.834 18.084 19.000 -0.136 0.000 0.819 355 A HN 0.489 nan 8.150 nan 0.000 0.445 356 C N -2.300 116.911 119.300 -0.150 0.000 2.457 356 C HA 0.015 4.383 4.460 -0.153 0.000 0.278 356 C C 2.327 177.262 174.990 -0.091 0.000 1.309 356 C CA 0.757 59.692 59.018 -0.138 0.000 1.735 356 C CB -1.324 26.362 27.740 -0.089 0.000 1.992 356 C HN 0.686 nan 8.230 nan 0.000 0.493 357 Y N 0.920 121.091 120.300 -0.215 0.000 2.574 357 Y HA -0.051 4.424 4.550 -0.124 0.000 0.294 357 Y C 1.718 177.379 175.900 -0.399 0.000 1.142 357 Y CA 1.359 59.239 58.100 -0.366 0.000 1.314 357 Y CB -0.209 37.877 38.460 -0.624 0.000 0.991 357 Y HN 0.509 nan 8.280 nan 0.000 0.555 358 Q N -0.783 118.930 119.800 -0.145 0.000 2.470 358 Q HA 0.188 4.436 4.340 -0.153 0.000 0.389 358 Q C -0.020 175.917 176.000 -0.104 0.000 0.888 358 Q CA -0.053 55.678 55.803 -0.121 0.000 1.106 358 Q CB 0.536 29.282 28.738 0.014 0.000 1.368 358 Q HN 0.209 nan 8.270 nan 0.000 0.403 359 L N -0.899 120.214 121.223 -0.183 0.000 2.749 359 L HA 0.099 4.347 4.340 -0.153 0.000 0.242 359 L C 1.475 178.255 176.870 -0.150 0.000 1.103 359 L CA 0.578 55.344 54.840 -0.123 0.000 0.906 359 L CB 0.637 42.572 42.059 -0.206 0.000 1.228 359 L HN 0.304 nan 8.230 nan 0.000 0.517 360 V N -0.805 118.894 119.914 -0.358 0.000 2.446 360 V HA -0.153 3.875 4.120 -0.153 0.000 0.244 360 V C 2.567 178.477 176.094 -0.306 0.000 1.039 360 V CA 1.542 63.571 62.300 -0.452 0.000 1.045 360 V CB 0.192 31.306 31.823 -1.181 0.000 0.681 360 V HN 0.360 nan 8.190 nan 0.000 0.459 361 K N 0.687 120.901 120.400 -0.311 0.000 2.001 361 K HA -0.275 3.953 4.320 -0.153 0.000 0.214 361 K C 2.209 178.760 176.600 -0.082 0.000 1.050 361 K CA 2.545 58.725 56.287 -0.178 0.000 0.934 361 K CB -0.509 31.932 32.500 -0.097 0.000 0.718 361 K HN 0.666 nan 8.250 nan 0.000 0.443 362 E N -0.561 119.632 120.200 -0.012 0.000 2.209 362 E HA -0.185 4.073 4.350 -0.153 0.000 0.196 362 E C 0.158 176.807 176.600 0.081 0.000 0.993 362 E CA 0.537 56.983 56.400 0.078 0.000 0.819 362 E CB 0.005 29.777 29.700 0.121 0.000 0.745 362 E HN 0.354 nan 8.360 nan 0.000 0.477 363 H N 0.368 119.404 119.070 -0.056 0.000 2.505 363 H HA 0.006 4.459 4.556 -0.172 0.000 0.355 363 H C -0.687 174.589 175.328 -0.086 0.000 1.179 363 H CA -0.374 55.652 56.048 -0.036 0.000 1.343 363 H CB 1.165 30.917 29.762 -0.017 0.000 1.501 363 H HN 0.031 nan 8.280 nan 0.000 0.569 364 D N 2.795 122.867 120.400 -0.546 0.000 2.380 364 D HA -0.033 4.515 4.640 -0.153 0.000 0.270 364 D C -0.308 175.935 176.300 -0.094 0.000 1.363 364 D CA 0.015 53.812 54.000 -0.338 0.000 1.057 364 D CB -0.189 40.373 40.800 -0.395 0.000 1.096 364 D HN 0.313 nan 8.370 nan 0.000 0.524 365 R N 2.223 122.675 120.500 -0.081 0.000 2.623 365 R HA 0.179 4.427 4.340 -0.153 0.000 0.271 365 R C 0.750 177.034 176.300 -0.027 0.000 1.043 365 R CA -0.345 55.741 56.100 -0.022 0.000 1.083 365 R CB 0.932 31.180 30.300 -0.088 0.000 0.974 365 R HN 0.302 nan 8.270 nan 0.000 0.436 366 V N 1.982 121.905 119.914 0.015 0.000 3.542 366 V HA 0.182 4.210 4.120 -0.153 0.000 0.296 366 V C 1.381 177.448 176.094 -0.045 0.000 1.364 366 V CA 0.978 63.264 62.300 -0.023 0.000 1.118 366 V CB 0.210 32.029 31.823 -0.007 0.000 0.972 366 V HN 1.201 nan 8.190 nan 0.000 0.430 367 G N 1.530 110.310 108.800 -0.034 0.000 2.225 367 G HA2 -0.262 3.606 3.960 -0.153 0.000 0.254 367 G HA3 -0.262 3.606 3.960 -0.153 0.000 0.254 367 G C 0.841 175.732 174.900 -0.015 0.000 0.988 367 G CA 0.248 45.316 45.100 -0.054 0.000 0.625 367 G HN 0.364 nan 8.290 nan 0.000 0.527 368 R N -0.066 120.450 120.500 0.025 0.000 2.427 368 R HA 0.565 4.813 4.340 -0.153 0.000 0.262 368 R C 0.853 177.251 176.300 0.163 0.000 0.943 368 R CA 0.227 56.369 56.100 0.071 0.000 1.081 368 R CB -0.169 30.160 30.300 0.049 0.000 1.166 368 R HN 0.565 nan 8.270 nan 0.000 0.534 369 M N -1.151 118.537 119.600 0.147 0.000 2.520 369 M HA 0.566 4.954 4.480 -0.153 0.000 0.280 369 M C -1.068 175.343 176.300 0.184 0.000 1.232 369 M CA -1.037 54.392 55.300 0.216 0.000 0.892 369 M CB 2.462 35.199 32.600 0.228 0.000 1.728 369 M HN -0.107 nan 8.290 nan 0.000 0.475 370 A N 1.099 124.062 122.820 0.240 0.000 2.312 370 A HA 0.606 4.833 4.320 -0.153 0.000 0.328 370 A C -1.009 176.611 177.584 0.060 0.000 1.158 370 A CA -0.460 51.684 52.037 0.178 0.000 0.821 370 A CB 0.894 19.988 19.000 0.156 0.000 1.170 370 A HN 0.874 nan 8.150 nan 0.000 0.490 371 D N 0.359 120.794 120.400 0.059 0.000 2.362 371 D HA 0.501 5.049 4.640 -0.153 0.000 0.242 371 D C 0.353 176.654 176.300 0.001 0.000 1.132 371 D CA 0.768 54.775 54.000 0.011 0.000 0.907 371 D CB 0.727 41.579 40.800 0.086 0.000 1.195 371 D HN 0.628 nan 8.370 nan 0.000 0.429 372 T N -0.102 114.461 114.554 0.015 0.000 2.883 372 T HA 0.602 4.860 4.350 -0.153 0.000 0.296 372 T C -1.035 173.757 174.700 0.153 0.000 1.117 372 T CA -1.096 61.059 62.100 0.091 0.000 1.006 372 T CB 1.573 70.507 68.868 0.110 0.000 1.191 372 T HN 0.469 nan 8.240 nan 0.000 0.508 373 Q N -0.007 119.907 119.800 0.189 0.000 2.315 373 Q HA 0.519 4.767 4.340 -0.153 0.000 0.273 373 Q C -1.399 174.526 176.000 -0.126 0.000 1.053 373 Q CA -0.755 55.069 55.803 0.035 0.000 0.817 373 Q CB 2.961 31.694 28.738 -0.008 0.000 1.326 373 Q HN 0.796 nan 8.270 nan 0.000 0.423 374 E N 2.709 122.665 120.200 -0.406 0.000 2.151 374 E HA 0.460 4.718 4.350 -0.153 0.000 0.275 374 E C -1.502 174.660 176.600 -0.729 0.000 0.936 374 E CA -0.546 55.480 56.400 -0.622 0.000 0.777 374 E CB 0.800 30.138 29.700 -0.603 0.000 1.108 374 E HN 0.435 nan 8.360 nan 0.000 0.401 375 F N 3.031 122.833 119.950 -0.246 0.000 2.477 375 F HA 0.275 4.716 4.527 -0.143 0.000 0.335 375 F C 1.234 176.947 175.800 -0.145 0.000 1.130 375 F CA -0.724 57.185 58.000 -0.153 0.000 0.948 375 F CB 1.706 40.682 39.000 -0.039 0.000 1.154 375 F HN 0.531 nan 8.300 nan 0.000 0.439 376 E N 1.498 121.699 120.200 0.001 0.000 2.016 376 E HA -0.041 4.217 4.350 -0.153 0.000 0.190 376 E C 0.062 176.693 176.600 0.052 0.000 0.985 376 E CA 0.835 57.277 56.400 0.070 0.000 0.802 376 E CB 0.184 30.004 29.700 0.200 0.000 0.762 376 E HN 0.461 nan 8.360 nan 0.000 0.448 377 N N 0.018 118.667 118.700 -0.086 0.000 2.479 377 N HA 0.185 4.833 4.740 -0.153 0.000 0.261 377 N C -1.612 173.902 175.510 0.007 0.000 0.979 377 N CA -0.116 52.930 53.050 -0.007 0.000 0.930 377 N CB 1.096 39.609 38.487 0.043 0.000 1.172 377 N HN -0.038 nan 8.380 nan 0.000 0.499 378 F N 2.819 122.722 119.950 -0.079 0.000 2.540 378 F HA 0.493 4.935 4.527 -0.142 0.000 0.317 378 F C -0.624 175.121 175.800 -0.092 0.000 1.104 378 F CA -0.797 57.147 58.000 -0.094 0.000 0.913 378 F CB 1.197 40.132 39.000 -0.109 0.000 1.170 378 F HN 0.072 nan 8.300 nan 0.000 0.450 379 V N 4.567 124.022 119.914 -0.766 0.000 2.581 379 V HA 0.774 4.802 4.120 -0.153 0.000 0.303 379 V C -0.946 174.853 176.094 -0.492 0.000 1.041 379 V CA -0.909 61.116 62.300 -0.458 0.000 0.907 379 V CB 1.478 33.135 31.823 -0.277 0.000 0.994 379 V HN 0.768 nan 8.190 nan 0.000 0.442 380 L N 2.059 123.102 121.223 -0.300 0.000 2.455 380 L HA 0.549 4.797 4.340 -0.153 0.000 0.264 380 L C -0.144 176.582 176.870 -0.241 0.000 0.968 380 L CA -0.537 54.124 54.840 -0.299 0.000 0.827 380 L CB 2.523 44.305 42.059 -0.463 0.000 1.317 380 L HN 0.648 nan 8.230 nan 0.000 0.407 381 E N 2.373 122.449 120.200 -0.207 0.000 2.104 381 E HA 0.057 4.315 4.350 -0.153 0.000 0.278 381 E C 0.310 176.849 176.600 -0.102 0.000 1.127 381 E CA -0.111 56.206 56.400 -0.137 0.000 0.897 381 E CB 0.897 30.525 29.700 -0.121 0.000 1.043 381 E HN 0.419 nan 8.360 nan 0.000 0.410 382 K N 2.492 122.832 120.400 -0.100 0.000 2.442 382 K HA -0.155 4.073 4.320 -0.153 0.000 0.199 382 K C 1.713 178.304 176.600 -0.015 0.000 1.044 382 K CA 0.524 56.758 56.287 -0.088 0.000 0.941 382 K CB 0.173 32.624 32.500 -0.082 0.000 0.759 382 K HN 0.264 nan 8.250 nan 0.000 0.472 383 R N 0.099 120.619 120.500 0.034 0.000 2.115 383 R HA -0.080 4.168 4.340 -0.153 0.000 0.230 383 R C 1.331 177.731 176.300 0.167 0.000 1.111 383 R CA 1.254 57.406 56.100 0.087 0.000 0.976 383 R CB -0.276 30.084 30.300 0.099 0.000 0.870 383 R HN 0.467 nan 8.270 nan 0.000 0.445 384 H N -0.762 118.350 119.070 0.070 0.000 2.543 384 H HA 0.152 4.615 4.556 -0.154 0.000 0.269 384 H C -0.002 175.494 175.328 0.281 0.000 1.005 384 H CA 0.045 56.223 56.048 0.216 0.000 1.146 384 H CB 0.219 30.231 29.762 0.417 0.000 1.353 384 H HN 0.013 nan 8.280 nan 0.000 0.595 385 I N 1.732 122.403 120.570 0.168 0.000 2.378 385 I HA 0.061 4.139 4.170 -0.153 0.000 0.291 385 I C 0.112 176.252 176.117 0.040 0.000 0.992 385 I CA -0.644 60.699 61.300 0.072 0.000 1.154 385 I CB 1.717 39.659 38.000 -0.097 0.000 1.315 385 I HN 0.006 nan 8.210 nan 0.000 0.448 386 S N 5.353 121.084 115.700 0.052 0.000 2.457 386 S HA 0.408 4.785 4.470 -0.153 0.000 0.289 386 S C -2.160 172.448 174.600 0.012 0.000 1.163 386 S CA -1.431 56.786 58.200 0.029 0.000 1.078 386 S CB 1.421 64.645 63.200 0.039 0.000 0.987 386 S HN 0.354 nan 8.310 nan 0.000 0.482 387 P HA 0.053 nan 4.420 nan 0.000 0.236 387 P C 1.316 178.616 177.300 -0.000 0.000 1.172 387 P CA 0.751 63.846 63.100 -0.008 0.000 0.759 387 P CB -0.151 31.543 31.700 -0.009 0.000 0.843 388 A N 0.112 122.938 122.820 0.011 0.000 1.865 388 A HA -0.188 4.040 4.320 -0.153 0.000 0.217 388 A C 1.963 179.558 177.584 0.018 0.000 1.191 388 A CA 1.664 53.712 52.037 0.018 0.000 0.623 388 A CB -1.491 17.526 19.000 0.028 0.000 0.826 388 A HN 0.281 nan 8.150 nan 0.000 0.444 389 L N -1.735 119.500 121.223 0.020 0.000 2.509 389 L HA 0.150 4.398 4.340 -0.153 0.000 0.222 389 L C 2.140 178.989 176.870 -0.035 0.000 1.123 389 L CA 1.471 56.317 54.840 0.009 0.000 0.856 389 L CB -0.289 41.791 42.059 0.036 0.000 0.985 389 L HN 0.436 nan 8.230 nan 0.000 0.456 390 M N -0.045 119.533 119.600 -0.037 0.000 2.084 390 M HA -0.178 4.210 4.480 -0.153 0.000 0.259 390 M C 1.962 178.230 176.300 -0.054 0.000 1.072 390 M CA 1.968 57.231 55.300 -0.061 0.000 1.107 390 M CB -0.378 32.194 32.600 -0.046 0.000 1.299 390 M HN 0.257 nan 8.290 nan 0.000 0.413 391 E N -0.015 120.166 120.200 -0.031 0.000 2.265 391 E HA -0.153 4.105 4.350 -0.153 0.000 0.196 391 E C 2.229 178.819 176.600 -0.017 0.000 0.996 391 E CA 1.123 57.510 56.400 -0.022 0.000 0.832 391 E CB -0.727 28.966 29.700 -0.012 0.000 0.756 391 E HN 0.542 nan 8.360 nan 0.000 0.491 392 L N 0.005 121.220 121.223 -0.013 0.000 2.109 392 L HA -0.125 4.123 4.340 -0.153 0.000 0.207 392 L C 2.352 179.214 176.870 -0.015 0.000 1.086 392 L CA 0.503 55.342 54.840 -0.002 0.000 0.760 392 L CB -0.111 41.958 42.059 0.016 0.000 0.910 392 L HN 0.092 nan 8.230 nan 0.000 0.437 393 L N -1.319 119.873 121.223 -0.052 0.000 2.127 393 L HA -0.096 4.152 4.340 -0.153 0.000 0.203 393 L C 2.036 178.865 176.870 -0.067 0.000 1.080 393 L CA 1.017 55.806 54.840 -0.086 0.000 0.768 393 L CB -0.201 41.745 42.059 -0.188 0.000 0.924 393 L HN 0.105 nan 8.230 nan 0.000 0.444 394 L N -1.225 119.961 121.223 -0.062 0.000 2.362 394 L HA -0.119 4.129 4.340 -0.153 0.000 0.219 394 L C 1.930 178.784 176.870 -0.027 0.000 1.134 394 L CA 1.541 56.352 54.840 -0.048 0.000 0.807 394 L CB -0.370 41.661 42.059 -0.046 0.000 0.927 394 L HN 0.354 nan 8.230 nan 0.000 0.447 395 Q N -1.522 118.267 119.800 -0.018 0.000 2.644 395 Q HA 0.094 4.342 4.340 -0.153 0.000 0.220 395 Q C 1.931 177.933 176.000 0.003 0.000 0.866 395 Q CA 0.326 56.125 55.803 -0.007 0.000 0.915 395 Q CB -0.217 28.519 28.738 -0.004 0.000 1.191 395 Q HN 0.305 nan 8.270 nan 0.000 0.641 396 E N 1.533 121.738 120.200 0.008 0.000 2.204 396 E HA -0.004 4.254 4.350 -0.153 0.000 0.194 396 E C 0.209 176.825 176.600 0.027 0.000 0.989 396 E CA 0.679 57.092 56.400 0.021 0.000 0.824 396 E CB 0.209 29.926 29.700 0.029 0.000 0.756 396 E HN 0.191 nan 8.360 nan 0.000 0.477 397 A N 0.188 123.017 122.820 0.015 0.000 3.150 397 A HA 0.583 4.811 4.320 -0.153 0.000 0.328 397 A C 0.717 178.303 177.584 0.004 0.000 1.104 397 A CA 0.251 52.300 52.037 0.019 0.000 0.937 397 A CB 0.363 19.373 19.000 0.016 0.000 1.073 397 A HN 0.071 nan 8.150 nan 0.000 0.497 398 A N -0.266 122.559 122.820 0.010 0.000 2.419 398 A HA 0.228 4.456 4.320 -0.153 0.000 0.233 398 A C 1.539 179.129 177.584 0.009 0.000 1.217 398 A CA 0.730 52.768 52.037 0.002 0.000 0.944 398 A CB -0.110 18.888 19.000 -0.003 0.000 1.025 398 A HN 0.641 nan 8.150 nan 0.000 0.524 399 E N 0.498 120.711 120.200 0.022 0.000 2.086 399 E HA -0.238 4.020 4.350 -0.153 0.000 0.205 399 E C 0.087 176.700 176.600 0.020 0.000 1.027 399 E CA 1.106 57.521 56.400 0.026 0.000 0.830 399 E CB 0.012 29.737 29.700 0.042 0.000 0.751 399 E HN 0.119 nan 8.360 nan 0.000 0.456 400 K N 0.797 121.211 120.400 0.023 0.000 2.679 400 K HA 0.355 4.583 4.320 -0.153 0.000 0.188 400 K C -1.155 175.450 176.600 0.009 0.000 1.055 400 K CA -0.423 55.874 56.287 0.017 0.000 1.006 400 K CB 0.127 32.642 32.500 0.025 0.000 1.317 400 K HN 0.110 nan 8.250 nan 0.000 0.584 401 I N 1.728 122.296 120.570 -0.003 0.000 2.377 401 I HA 0.278 4.356 4.170 -0.153 0.000 0.293 401 I C -0.261 175.844 176.117 -0.019 0.000 0.987 401 I CA -0.258 61.032 61.300 -0.016 0.000 1.185 401 I CB 1.617 39.601 38.000 -0.027 0.000 1.341 401 I HN 0.307 nan 8.210 nan 0.000 0.455 402 T N 1.563 116.103 114.554 -0.024 0.000 2.833 402 T HA 0.388 4.646 4.350 -0.153 0.000 0.297 402 T C -0.799 173.878 174.700 -0.038 0.000 1.015 402 T CA -0.787 61.298 62.100 -0.025 0.000 0.963 402 T CB 1.111 69.968 68.868 -0.018 0.000 0.955 402 T HN 0.397 nan 8.240 nan 0.000 0.449 403 D N 2.828 123.206 120.400 -0.037 0.000 2.278 403 D HA 0.512 5.060 4.640 -0.153 0.000 0.245 403 D C -0.051 176.227 176.300 -0.036 0.000 1.052 403 D CA -0.872 53.102 54.000 -0.043 0.000 0.834 403 D CB 0.998 41.772 40.800 -0.042 0.000 1.194 403 D HN 0.566 nan 8.370 nan 0.000 0.481 404 L N 3.335 124.534 121.223 -0.040 0.000 3.193 404 L HA 0.528 4.776 4.340 -0.153 0.000 0.305 404 L C 1.248 178.100 176.870 -0.031 0.000 1.299 404 L CA -0.467 54.353 54.840 -0.033 0.000 0.904 404 L CB 0.363 42.402 42.059 -0.033 0.000 1.331 404 L HN 0.753 nan 8.230 nan 0.000 0.588 405 G N 1.483 110.265 108.800 -0.030 0.000 5.353 405 G HA2 -0.339 3.529 3.960 -0.153 0.000 0.283 405 G HA3 -0.339 3.529 3.960 -0.153 0.000 0.283 405 G C 0.680 175.561 174.900 -0.031 0.000 1.457 405 G CA 0.654 45.738 45.100 -0.027 0.000 0.951 405 G HN 0.474 nan 8.290 nan 0.000 0.731 406 E N 1.390 121.570 120.200 -0.034 0.000 2.562 406 E HA 0.315 4.573 4.350 -0.153 0.000 0.214 406 E C 0.645 177.213 176.600 -0.052 0.000 0.979 406 E CA 0.520 56.898 56.400 -0.037 0.000 1.002 406 E CB 0.749 30.431 29.700 -0.029 0.000 1.048 406 E HN 0.731 nan 8.360 nan 0.000 0.488 407 Q N 0.755 120.519 119.800 -0.060 0.000 2.462 407 Q HA 0.552 4.800 4.340 -0.153 0.000 0.285 407 Q C -0.799 175.150 176.000 -0.085 0.000 1.035 407 Q CA -1.027 54.728 55.803 -0.080 0.000 0.799 407 Q CB 1.642 30.336 28.738 -0.074 0.000 1.452 407 Q HN 0.140 nan 8.270 nan 0.000 0.404 408 I N -2.025 118.479 120.570 -0.110 0.000 3.074 408 I HA 0.837 4.915 4.170 -0.153 0.000 0.310 408 I C -0.797 175.260 176.117 -0.100 0.000 1.153 408 I CA -1.433 59.806 61.300 -0.102 0.000 0.993 408 I CB 2.493 40.419 38.000 -0.125 0.000 1.237 408 I HN 0.308 nan 8.210 nan 0.000 0.443 409 V N 3.888 123.762 119.914 -0.066 0.000 2.443 409 V HA 0.494 4.522 4.120 -0.153 0.000 0.293 409 V C -0.088 176.008 176.094 0.004 0.000 1.021 409 V CA -0.409 61.869 62.300 -0.037 0.000 0.848 409 V CB 1.257 33.064 31.823 -0.027 0.000 0.998 409 V HN 0.535 nan 8.190 nan 0.000 0.424 410 I N 3.716 124.322 120.570 0.061 0.000 2.440 410 I HA 0.553 4.631 4.170 -0.153 0.000 0.294 410 I C 0.363 176.545 176.117 0.108 0.000 0.995 410 I CA -0.542 60.807 61.300 0.081 0.000 1.306 410 I CB 1.130 39.195 38.000 0.109 0.000 1.407 410 I HN 0.475 nan 8.210 nan 0.000 0.501 411 R N 4.102 124.655 120.500 0.087 0.000 2.387 411 R HA 0.226 4.474 4.340 -0.153 0.000 0.314 411 R C 0.177 176.570 176.300 0.155 0.000 0.958 411 R CA -0.483 55.679 56.100 0.104 0.000 0.846 411 R CB 0.465 30.816 30.300 0.085 0.000 1.147 411 R HN 0.842 nan 8.270 nan 0.000 0.447 412 H N 2.800 121.859 119.070 -0.018 0.000 2.839 412 H HA -0.174 4.289 4.556 -0.155 0.000 0.298 412 H C -1.459 173.764 175.328 -0.175 0.000 1.224 412 H CA 0.365 56.352 56.048 -0.102 0.000 1.144 412 H CB -0.320 29.406 29.762 -0.060 0.000 1.372 412 H HN 0.455 nan 8.280 nan 0.000 0.408 413 L N 1.858 122.967 121.223 -0.189 0.000 2.264 413 L HA 0.409 4.657 4.340 -0.153 0.000 0.289 413 L C -0.554 176.189 176.870 -0.211 0.000 1.044 413 L CA -0.751 53.968 54.840 -0.202 0.000 0.807 413 L CB 0.397 42.419 42.059 -0.061 0.000 1.192 413 L HN 0.108 nan 8.230 nan 0.000 0.425 414 Y N 5.122 125.342 120.300 -0.133 0.000 2.334 414 Y HA 0.596 5.056 4.550 -0.150 0.000 0.325 414 Y C 0.391 176.254 175.900 -0.061 0.000 1.308 414 Y CA -0.193 57.879 58.100 -0.048 0.000 1.389 414 Y CB 1.163 39.616 38.460 -0.012 0.000 1.328 414 Y HN 0.469 nan 8.280 nan 0.000 0.532 415 I N 0.131 120.785 120.570 0.140 0.000 2.994 415 I HA 0.446 4.524 4.170 -0.153 0.000 0.306 415 I C -1.310 174.754 176.117 -0.088 0.000 1.195 415 I CA -1.008 60.232 61.300 -0.099 0.000 1.001 415 I CB 2.772 40.634 38.000 -0.229 0.000 1.244 415 I HN 0.662 nan 8.210 nan 0.000 0.437 416 E N 2.139 122.206 120.200 -0.222 0.000 2.407 416 E HA 0.432 4.690 4.350 -0.153 0.000 0.279 416 E C -1.169 175.217 176.600 -0.357 0.000 1.012 416 E CA -1.231 55.036 56.400 -0.221 0.000 0.800 416 E CB 1.871 31.480 29.700 -0.152 0.000 1.276 416 E HN 0.520 nan 8.360 nan 0.000 0.452 417 R N 1.393 121.626 120.500 -0.446 0.000 2.522 417 R HA 0.027 4.275 4.340 -0.153 0.000 0.284 417 R C -0.041 176.010 176.300 -0.415 0.000 1.032 417 R CA -0.130 55.635 56.100 -0.559 0.000 1.049 417 R CB 0.484 30.211 30.300 -0.955 0.000 0.956 417 R HN 0.633 nan 8.270 nan 0.000 0.422 418 R N 5.470 125.760 120.500 -0.349 0.000 2.308 418 R HA 0.175 4.423 4.340 -0.153 0.000 0.325 418 R C -0.431 175.807 176.300 -0.104 0.000 1.161 418 R CA -0.255 55.714 56.100 -0.219 0.000 1.022 418 R CB 0.525 30.703 30.300 -0.204 0.000 1.091 418 R HN 0.502 nan 8.270 nan 0.000 0.497 419 M N 2.483 122.076 119.600 -0.011 0.000 2.103 419 M HA 0.107 4.495 4.480 -0.153 0.000 0.291 419 M C 0.248 176.627 176.300 0.131 0.000 1.216 419 M CA -0.633 54.727 55.300 0.100 0.000 1.132 419 M CB 1.163 33.879 32.600 0.192 0.000 1.396 419 M HN 0.511 nan 8.290 nan 0.000 0.479 420 V N 2.084 122.099 119.914 0.169 0.000 2.649 420 V HA 0.315 4.343 4.120 -0.153 0.000 0.292 420 V C -2.429 173.821 176.094 0.260 0.000 1.055 420 V CA -1.784 60.651 62.300 0.226 0.000 1.023 420 V CB 0.920 32.946 31.823 0.339 0.000 0.992 420 V HN 0.550 nan 8.190 nan 0.000 0.480 421 P HA 0.156 nan 4.420 nan 0.000 0.275 421 P C 0.353 177.838 177.300 0.308 0.000 1.227 421 P CA -0.246 63.038 63.100 0.306 0.000 0.781 421 P CB 1.082 32.943 31.700 0.268 0.000 0.906 422 L N 4.655 126.060 121.223 0.303 0.000 1.973 422 L HA -0.194 4.054 4.340 -0.153 0.000 0.208 422 L C 2.066 179.098 176.870 0.270 0.000 1.073 422 L CA 1.949 56.977 54.840 0.314 0.000 0.746 422 L CB -1.354 40.923 42.059 0.363 0.000 0.891 422 L HN 0.413 nan 8.230 nan 0.000 0.433 423 N N 0.586 119.438 118.700 0.253 0.000 2.089 423 N HA -0.329 4.319 4.740 -0.153 0.000 0.198 423 N C 1.878 177.427 175.510 0.065 0.000 1.017 423 N CA 2.867 55.973 53.050 0.093 0.000 0.880 423 N CB -1.158 37.434 38.487 0.175 0.000 1.042 423 N HN 0.567 nan 8.380 nan 0.000 0.446 424 I N -1.330 119.324 120.570 0.140 0.000 2.315 424 I HA -0.159 3.919 4.170 -0.153 0.000 0.248 424 I C 2.343 178.539 176.117 0.132 0.000 1.117 424 I CA 1.019 62.389 61.300 0.117 0.000 1.404 424 I CB -0.430 37.652 38.000 0.137 0.000 1.071 424 I HN 0.133 nan 8.210 nan 0.000 0.419 425 W N 1.007 122.326 121.300 0.032 0.000 2.392 425 W HA -0.176 4.395 4.660 -0.148 0.000 0.279 425 W C 2.117 178.631 176.519 -0.009 0.000 1.225 425 W CA 0.982 58.344 57.345 0.027 0.000 1.233 425 W CB 0.002 29.496 29.460 0.056 0.000 1.122 425 W HN 0.034 nan 8.180 nan 0.000 0.561 426 L N 0.048 121.365 121.223 0.155 0.000 2.217 426 L HA -0.110 4.138 4.340 -0.153 0.000 0.211 426 L C 2.264 179.098 176.870 -0.061 0.000 1.107 426 L CA 1.707 56.563 54.840 0.026 0.000 0.783 426 L CB -1.012 40.970 42.059 -0.129 0.000 0.919 426 L HN 0.025 nan 8.230 nan 0.000 0.442 427 E N -0.786 119.369 120.200 -0.075 0.000 2.190 427 E HA -0.120 4.138 4.350 -0.153 0.000 0.191 427 E C 1.227 177.754 176.600 -0.121 0.000 0.978 427 E CA 0.130 56.479 56.400 -0.086 0.000 0.839 427 E CB 0.335 29.997 29.700 -0.065 0.000 0.787 427 E HN 0.423 nan 8.360 nan 0.000 0.473 428 Q N 0.748 120.443 119.800 -0.176 0.000 2.259 428 Q HA 0.108 4.356 4.340 -0.153 0.000 0.228 428 Q C -1.169 174.632 176.000 -0.331 0.000 0.909 428 Q CA -0.172 55.488 55.803 -0.239 0.000 0.948 428 Q CB 0.350 28.911 28.738 -0.294 0.000 1.041 428 Q HN -0.111 nan 8.270 nan 0.000 0.445 429 V N 1.009 120.787 119.914 -0.227 0.000 3.000 429 V HA 0.429 4.457 4.120 -0.153 0.000 0.300 429 V C -1.110 174.931 176.094 -0.089 0.000 1.251 429 V CA -0.711 61.472 62.300 -0.196 0.000 0.972 429 V CB 2.324 34.022 31.823 -0.208 0.000 1.065 429 V HN 0.432 nan 8.190 nan 0.000 0.431 430 E N 2.734 122.899 120.200 -0.059 0.000 2.429 430 E HA 0.626 4.884 4.350 -0.153 0.000 0.277 430 E C 0.018 176.611 176.600 -0.011 0.000 1.130 430 E CA 0.036 56.421 56.400 -0.025 0.000 0.875 430 E CB 0.989 30.669 29.700 -0.033 0.000 1.443 430 E HN 1.951 nan 8.360 nan 0.000 0.444 431 G N 0.525 109.326 108.800 0.001 0.000 2.642 431 G HA2 -0.294 3.574 3.960 -0.153 0.000 0.231 431 G HA3 -0.294 3.574 3.960 -0.153 0.000 0.231 431 G C 0.636 175.551 174.900 0.024 0.000 1.338 431 G CA 0.354 45.459 45.100 0.009 0.000 0.883 431 G HN 0.448 nan 8.290 nan 0.000 0.570 432 Q N -0.834 118.983 119.800 0.028 0.000 2.234 432 Q HA -0.177 4.071 4.340 -0.153 0.000 0.206 432 Q C 2.705 178.743 176.000 0.062 0.000 0.980 432 Q CA 2.265 58.091 55.803 0.039 0.000 0.869 432 Q CB -0.205 28.556 28.738 0.038 0.000 0.912 432 Q HN 0.573 nan 8.270 nan 0.000 0.436 433 Q N 0.543 120.383 119.800 0.067 0.000 2.133 433 Q HA -0.180 4.068 4.340 -0.153 0.000 0.208 433 Q C 1.904 178.004 176.000 0.166 0.000 0.991 433 Q CA 1.236 57.107 55.803 0.113 0.000 0.867 433 Q CB -0.360 28.397 28.738 0.032 0.000 0.911 433 Q HN 0.343 nan 8.270 nan 0.000 0.417 434 L N -0.261 121.024 121.223 0.103 0.000 2.072 434 L HA -0.041 4.207 4.340 -0.153 0.000 0.205 434 L C 2.256 179.174 176.870 0.079 0.000 1.079 434 L CA 1.668 56.574 54.840 0.109 0.000 0.752 434 L CB -0.409 41.693 42.059 0.071 0.000 0.906 434 L HN 0.088 nan 8.230 nan 0.000 0.436 435 R N -0.423 120.107 120.500 0.050 0.000 2.096 435 R HA -0.161 4.087 4.340 -0.153 0.000 0.235 435 R C 1.763 178.070 176.300 0.011 0.000 1.127 435 R CA 1.703 57.813 56.100 0.015 0.000 0.968 435 R CB -0.327 29.984 30.300 0.018 0.000 0.861 435 R HN 0.455 nan 8.270 nan 0.000 0.440 436 D N -0.056 120.375 120.400 0.051 0.000 2.084 436 D HA -0.097 4.451 4.640 -0.153 0.000 0.196 436 D C 1.643 177.968 176.300 0.041 0.000 0.985 436 D CA 1.676 55.710 54.000 0.057 0.000 0.826 436 D CB -0.170 40.692 40.800 0.102 0.000 0.978 436 D HN 0.293 nan 8.370 nan 0.000 0.456 437 A N 0.777 123.658 122.820 0.103 0.000 1.968 437 A HA -0.037 4.191 4.320 -0.153 0.000 0.217 437 A C 2.300 179.893 177.584 0.016 0.000 1.169 437 A CA 0.966 53.044 52.037 0.068 0.000 0.638 437 A CB -0.711 18.452 19.000 0.271 0.000 0.812 437 A HN 0.416 nan 8.150 nan 0.000 0.446 438 I N -1.188 119.374 120.570 -0.014 0.000 2.252 438 I HA -0.202 3.876 4.170 -0.153 0.000 0.245 438 I C 2.153 178.036 176.117 -0.391 0.000 1.102 438 I CA 2.227 63.421 61.300 -0.176 0.000 1.385 438 I CB -0.608 37.137 38.000 -0.425 0.000 1.064 438 I HN 0.499 nan 8.210 nan 0.000 0.414 439 E N 1.407 121.434 120.200 -0.288 0.000 2.086 439 E HA -0.327 3.931 4.350 -0.153 0.000 0.200 439 E C 2.067 178.528 176.600 -0.232 0.000 1.012 439 E CA 1.895 58.162 56.400 -0.221 0.000 0.812 439 E CB -0.317 29.352 29.700 -0.053 0.000 0.743 439 E HN 0.577 nan 8.360 nan 0.000 0.453 440 E N -0.265 119.846 120.200 -0.149 0.000 2.110 440 E HA -0.198 4.060 4.350 -0.153 0.000 0.193 440 E C 1.849 178.346 176.600 -0.172 0.000 0.988 440 E CA 1.207 57.531 56.400 -0.128 0.000 0.804 440 E CB -0.390 29.244 29.700 -0.110 0.000 0.745 440 E HN 0.540 nan 8.360 nan 0.000 0.458 441 Y N 0.612 120.726 120.300 -0.310 0.000 2.145 441 Y HA -0.161 4.298 4.550 -0.151 0.000 0.286 441 Y C 2.278 177.924 175.900 -0.423 0.000 1.145 441 Y CA 2.115 59.999 58.100 -0.359 0.000 1.148 441 Y CB -0.582 37.735 38.460 -0.238 0.000 0.981 441 Y HN 0.011 nan 8.280 nan 0.000 0.507 442 G N 0.321 108.888 108.800 -0.388 0.000 2.418 442 G HA2 -0.313 3.555 3.960 -0.153 0.000 0.217 442 G HA3 -0.313 3.555 3.960 -0.153 0.000 0.217 442 G C 1.398 176.213 174.900 -0.141 0.000 1.158 442 G CA 1.015 45.892 45.100 -0.372 0.000 0.771 442 G HN 0.388 nan 8.290 nan 0.000 0.545 443 N N 1.023 119.694 118.700 -0.048 0.000 2.443 443 N HA -0.012 4.636 4.740 -0.153 0.000 0.184 443 N C 2.231 177.626 175.510 -0.190 0.000 1.037 443 N CA 0.973 53.983 53.050 -0.067 0.000 0.896 443 N CB -0.196 38.271 38.487 -0.032 0.000 0.959 443 N HN 0.350 nan 8.380 nan 0.000 0.442 444 A N 0.397 123.028 122.820 -0.315 0.000 1.930 444 A HA 0.020 4.248 4.320 -0.153 0.000 0.215 444 A C 1.949 179.297 177.584 -0.392 0.000 1.176 444 A CA 0.575 52.402 52.037 -0.350 0.000 0.632 444 A CB -0.102 18.613 19.000 -0.476 0.000 0.819 444 A HN 0.112 nan 8.150 nan 0.000 0.445 445 I N -0.355 119.899 120.570 -0.527 0.000 2.500 445 I HA -0.104 3.974 4.170 -0.153 0.000 0.252 445 I C 2.366 178.310 176.117 -0.288 0.000 1.142 445 I CA 0.945 61.982 61.300 -0.439 0.000 1.451 445 I CB -1.220 36.492 38.000 -0.480 0.000 1.093 445 I HN 0.341 nan 8.210 nan 0.000 0.430 446 R N 0.590 120.949 120.500 -0.236 0.000 2.115 446 R HA -0.186 4.062 4.340 -0.153 0.000 0.230 446 R C 2.218 178.440 176.300 -0.129 0.000 1.111 446 R CA 1.106 57.110 56.100 -0.159 0.000 0.976 446 R CB -0.243 29.986 30.300 -0.118 0.000 0.870 446 R HN 0.314 nan 8.270 nan 0.000 0.445 447 Q N 0.612 120.329 119.800 -0.139 0.000 2.123 447 Q HA -0.001 4.247 4.340 -0.153 0.000 0.199 447 Q C 2.008 177.966 176.000 -0.070 0.000 0.966 447 Q CA 1.031 56.766 55.803 -0.113 0.000 0.845 447 Q CB 0.106 28.775 28.738 -0.115 0.000 0.907 447 Q HN 0.283 nan 8.270 nan 0.000 0.439 448 L N -0.578 120.600 121.223 -0.074 0.000 2.027 448 L HA -0.147 4.101 4.340 -0.153 0.000 0.206 448 L C 2.341 179.220 176.870 0.015 0.000 1.074 448 L CA 1.109 55.934 54.840 -0.024 0.000 0.745 448 L CB -0.937 41.071 42.059 -0.085 0.000 0.898 448 L HN 0.290 nan 8.230 nan 0.000 0.433 449 A N 0.553 123.365 122.820 -0.014 0.000 1.859 449 A HA -0.244 3.984 4.320 -0.153 0.000 0.217 449 A C 2.510 180.101 177.584 0.012 0.000 1.198 449 A CA 2.081 54.125 52.037 0.011 0.000 0.629 449 A CB -0.900 18.035 19.000 -0.108 0.000 0.830 449 A HN 0.411 nan 8.150 nan 0.000 0.446 450 A N -0.809 121.994 122.820 -0.029 0.000 2.076 450 A HA 0.190 4.418 4.320 -0.153 0.000 0.220 450 A C 2.096 179.687 177.584 0.012 0.000 1.160 450 A CA 1.936 53.966 52.037 -0.011 0.000 0.653 450 A CB -0.667 18.307 19.000 -0.044 0.000 0.801 450 A HN 1.222 nan 8.150 nan 0.000 0.455 451 A N -1.335 121.510 122.820 0.043 0.000 2.345 451 A HA 0.345 4.573 4.320 -0.153 0.000 0.225 451 A C 0.820 178.528 177.584 0.207 0.000 1.243 451 A CA 0.529 52.646 52.037 0.134 0.000 0.875 451 A CB -0.372 18.725 19.000 0.162 0.000 0.929 451 A HN 0.627 nan 8.150 nan 0.000 0.502 452 N N -0.207 118.576 118.700 0.140 0.000 2.756 452 N HA -0.137 4.510 4.740 -0.153 0.000 0.248 452 N C -0.888 174.730 175.510 0.181 0.000 1.062 452 N CA 0.720 53.871 53.050 0.168 0.000 0.696 452 N CB -1.319 37.269 38.487 0.169 0.000 0.946 452 N HN 0.325 nan 8.380 nan 0.000 0.548 453 I N 1.018 121.672 120.570 0.140 0.000 2.569 453 I HA 0.388 4.466 4.170 -0.153 0.000 0.290 453 I C -0.566 175.672 176.117 0.201 0.000 1.088 453 I CA -0.606 60.763 61.300 0.115 0.000 1.047 453 I CB 1.383 39.398 38.000 0.026 0.000 1.237 453 I HN 0.069 nan 8.210 nan 0.000 0.421 454 F N 8.852 128.834 119.950 0.054 0.000 2.449 454 F HA 0.628 5.063 4.527 -0.153 0.000 0.342 454 F C -2.417 173.359 175.800 -0.041 0.000 1.127 454 F CA -2.497 55.544 58.000 0.067 0.000 0.975 454 F CB 2.039 41.160 39.000 0.202 0.000 1.146 454 F HN 0.138 nan 8.300 nan 0.000 0.444 455 P HA 0.261 nan 4.420 nan 0.000 0.288 455 P C 0.513 177.251 177.300 -0.936 0.000 1.363 455 P CA -0.065 62.488 63.100 -0.911 0.000 0.837 455 P CB 1.173 32.243 31.700 -1.049 0.000 0.981 456 G N 2.764 111.305 108.800 -0.432 0.000 2.408 456 G HA2 -0.098 3.770 3.960 -0.153 0.000 0.217 456 G HA3 -0.098 3.770 3.960 -0.153 0.000 0.217 456 G C -0.090 174.704 174.900 -0.178 0.000 1.150 456 G CA 0.392 45.382 45.100 -0.182 0.000 0.776 456 G HN 0.386 nan 8.290 nan 0.000 0.542 457 D N 0.520 120.815 120.400 -0.176 0.000 2.446 457 D HA 0.345 4.893 4.640 -0.153 0.000 0.251 457 D C 0.373 176.558 176.300 -0.192 0.000 1.137 457 D CA -0.303 53.596 54.000 -0.168 0.000 0.890 457 D CB 1.047 41.791 40.800 -0.094 0.000 1.071 457 D HN 0.398 nan 8.370 nan 0.000 0.528 458 M N 0.421 119.861 119.600 -0.266 0.000 3.157 458 M HA 0.393 4.781 4.480 -0.153 0.000 0.213 458 M C -1.321 175.014 176.300 0.058 0.000 1.177 458 M CA -0.542 54.686 55.300 -0.119 0.000 1.109 458 M CB 0.815 33.193 32.600 -0.369 0.000 1.262 458 M HN -0.075 nan 8.290 nan 0.000 0.570 459 L N 1.069 122.375 121.223 0.137 0.000 2.322 459 L HA 0.545 4.793 4.340 -0.153 0.000 0.269 459 L C 0.574 177.600 176.870 0.260 0.000 1.012 459 L CA -0.457 54.412 54.840 0.048 0.000 0.815 459 L CB 1.162 43.247 42.059 0.043 0.000 1.295 459 L HN 0.540 nan 8.230 nan 0.000 0.438 460 F N 0.673 120.764 119.950 0.235 0.000 2.236 460 F HA -0.197 4.238 4.527 -0.153 0.000 0.302 460 F C 2.109 178.072 175.800 0.272 0.000 1.073 460 F CA 1.143 59.273 58.000 0.218 0.000 1.336 460 F CB -0.519 38.510 39.000 0.047 0.000 1.040 460 F HN 0.546 nan 8.300 nan 0.000 0.507 461 K N -0.149 120.479 120.400 0.379 0.000 2.103 461 K HA -0.149 4.079 4.320 -0.153 0.000 0.207 461 K C 0.788 177.542 176.600 0.257 0.000 1.048 461 K CA 1.469 57.922 56.287 0.276 0.000 0.930 461 K CB -0.247 32.373 32.500 0.200 0.000 0.716 461 K HN 0.262 nan 8.250 nan 0.000 0.444 462 N N -0.282 118.522 118.700 0.174 0.000 2.275 462 N HA 0.140 4.788 4.740 -0.153 0.000 0.236 462 N C -0.880 174.250 175.510 -0.634 0.000 1.154 462 N CA 0.188 53.239 53.050 0.002 0.000 0.866 462 N CB 0.506 38.927 38.487 -0.109 0.000 1.093 462 N HN -0.035 nan 8.380 nan 0.000 0.515 463 F N -0.215 119.563 119.950 -0.287 0.000 2.563 463 F HA 0.686 5.124 4.527 -0.148 0.000 0.316 463 F C 0.789 176.391 175.800 -0.330 0.000 1.076 463 F CA -0.965 56.731 58.000 -0.506 0.000 0.921 463 F CB 2.266 41.208 39.000 -0.097 0.000 1.209 463 F HN -0.178 nan 8.300 nan 0.000 0.462 464 G N 0.614 109.305 108.800 -0.183 0.000 2.642 464 G HA2 0.620 4.488 3.960 -0.153 0.000 0.293 464 G HA3 0.620 4.488 3.960 -0.153 0.000 0.293 464 G C -2.045 172.873 174.900 0.029 0.000 1.341 464 G CA -0.839 44.329 45.100 0.113 0.000 0.916 464 G HN 0.464 nan 8.290 nan 0.000 0.474 465 V N 0.578 120.468 119.914 -0.041 0.000 2.439 465 V HA 0.475 4.503 4.120 -0.153 0.000 0.282 465 V C 0.769 176.821 176.094 -0.069 0.000 1.039 465 V CA -0.343 61.808 62.300 -0.248 0.000 0.913 465 V CB 1.503 32.813 31.823 -0.855 0.000 0.983 465 V HN 0.787 nan 8.190 nan 0.000 0.460 466 T N 4.610 119.125 114.554 -0.065 0.000 2.849 466 T HA 0.230 4.488 4.350 -0.153 0.000 0.284 466 T C 1.477 176.161 174.700 -0.027 0.000 1.004 466 T CA -0.434 61.684 62.100 0.029 0.000 1.021 466 T CB 0.733 69.584 68.868 -0.028 0.000 1.013 466 T HN 0.667 nan 8.240 nan 0.000 0.527 467 R N 0.587 121.054 120.500 -0.056 0.000 2.136 467 R HA -0.158 4.090 4.340 -0.153 0.000 0.242 467 R C 0.747 176.915 176.300 -0.220 0.000 1.131 467 R CA 1.857 57.839 56.100 -0.196 0.000 0.937 467 R CB -0.536 29.505 30.300 -0.433 0.000 0.863 467 R HN 0.680 nan 8.270 nan 0.000 0.435 468 H N -0.414 118.676 119.070 0.034 0.000 2.672 468 H HA 0.253 4.716 4.556 -0.155 0.000 0.262 468 H C 0.456 175.775 175.328 -0.016 0.000 1.577 468 H CA 0.117 56.179 56.048 0.023 0.000 1.183 468 H CB 0.021 29.790 29.762 0.011 0.000 1.546 468 H HN 0.493 nan 8.280 nan 0.000 0.502 469 G N 2.004 110.810 108.800 0.011 0.000 2.386 469 G HA2 -0.338 3.530 3.960 -0.153 0.000 0.295 469 G HA3 -0.338 3.530 3.960 -0.153 0.000 0.295 469 G C -0.083 174.704 174.900 -0.188 0.000 0.979 469 G CA -0.146 44.872 45.100 -0.137 0.000 1.193 469 G HN 0.509 nan 8.290 nan 0.000 0.508 470 R N -1.228 119.163 120.500 -0.182 0.000 2.711 470 R HA 0.643 4.891 4.340 -0.153 0.000 0.284 470 R C -0.279 175.918 176.300 -0.172 0.000 0.968 470 R CA -0.997 55.011 56.100 -0.154 0.000 0.924 470 R CB 2.311 32.550 30.300 -0.102 0.000 1.162 470 R HN 0.097 nan 8.270 nan 0.000 0.465 471 V N 3.018 122.849 119.914 -0.138 0.000 2.427 471 V HA 0.441 4.469 4.120 -0.153 0.000 0.286 471 V C -0.073 176.011 176.094 -0.017 0.000 1.034 471 V CA -0.591 61.660 62.300 -0.080 0.000 0.893 471 V CB 1.553 33.334 31.823 -0.070 0.000 0.982 471 V HN 0.603 nan 8.190 nan 0.000 0.452 472 V N 3.499 123.444 119.914 0.052 0.000 3.040 472 V HA 0.709 4.737 4.120 -0.153 0.000 0.312 472 V C -1.284 174.860 176.094 0.084 0.000 1.115 472 V CA -0.838 61.512 62.300 0.085 0.000 0.998 472 V CB 2.116 33.988 31.823 0.082 0.000 1.042 472 V HN 0.676 nan 8.190 nan 0.000 0.433 473 F N 6.932 126.796 119.950 -0.143 0.000 2.303 473 F HA 0.607 5.056 4.527 -0.130 0.000 0.368 473 F C -0.175 175.225 175.800 -0.666 0.000 1.105 473 F CA -1.696 55.988 58.000 -0.528 0.000 1.153 473 F CB 0.830 39.670 39.000 -0.267 0.000 1.362 473 F HN 0.671 nan 8.300 nan 0.000 0.511 474 Y N 1.926 121.682 120.300 -0.907 0.000 2.683 474 Y HA 0.395 4.845 4.550 -0.167 0.000 0.297 474 Y C -0.256 174.856 175.900 -1.314 0.000 1.147 474 Y CA -1.888 55.574 58.100 -1.062 0.000 1.274 474 Y CB -0.866 37.330 38.460 -0.439 0.000 1.143 474 Y HN 0.499 nan 8.280 nan 0.000 0.527 475 D N 0.057 119.505 120.400 -1.587 0.000 2.749 475 D HA 0.181 4.728 4.640 -0.153 0.000 0.338 475 D C -0.453 175.248 176.300 -0.998 0.000 1.236 475 D CA -0.514 52.944 54.000 -0.904 0.000 0.845 475 D CB -0.343 40.247 40.800 -0.350 0.000 1.080 475 D HN 0.219 nan 8.370 nan 0.000 0.497 476 Y N -0.137 119.735 120.300 -0.713 0.000 2.553 476 Y HA 0.117 4.627 4.550 -0.066 0.000 0.303 476 Y C 1.540 177.363 175.900 -0.127 0.000 1.194 476 Y CA -0.185 57.659 58.100 -0.426 0.000 1.305 476 Y CB -0.237 37.881 38.460 -0.570 0.000 1.045 476 Y HN 0.280 nan 8.280 nan 0.000 0.514 477 D N 0.566 120.987 120.400 0.034 0.000 2.178 477 D HA -0.150 4.398 4.640 -0.153 0.000 0.202 477 D C 1.305 177.648 176.300 0.073 0.000 0.974 477 D CA 1.109 55.171 54.000 0.102 0.000 0.841 477 D CB 0.193 41.035 40.800 0.071 0.000 0.953 477 D HN 0.394 nan 8.370 nan 0.000 0.478 478 E N 0.575 120.816 120.200 0.068 0.000 2.585 478 E HA 0.158 4.416 4.350 -0.153 0.000 0.206 478 E C 0.229 176.888 176.600 0.098 0.000 1.007 478 E CA -0.407 56.035 56.400 0.070 0.000 1.028 478 E CB 0.253 29.976 29.700 0.038 0.000 1.087 478 E HN 0.275 nan 8.360 nan 0.000 0.455 479 I N 1.165 121.804 120.570 0.115 0.000 2.779 479 I HA 0.009 4.087 4.170 -0.153 0.000 0.285 479 I C 0.240 176.391 176.117 0.056 0.000 1.134 479 I CA 0.103 61.476 61.300 0.121 0.000 1.398 479 I CB 0.522 38.599 38.000 0.128 0.000 1.404 479 I HN 0.241 nan 8.210 nan 0.000 0.587 480 C N 3.398 122.738 119.300 0.067 0.000 3.284 480 C HA 0.410 4.778 4.460 -0.153 0.000 0.338 480 C C -0.786 174.219 174.990 0.025 0.000 1.237 480 C CA -1.353 57.649 59.018 -0.026 0.000 1.276 480 C CB 0.267 28.057 27.740 0.084 0.000 1.601 480 C HN 0.620 nan 8.230 nan 0.000 0.494 481 Y N 1.304 121.656 120.300 0.086 0.000 2.702 481 Y HA 0.210 4.666 4.550 -0.157 0.000 0.336 481 Y C 1.845 177.818 175.900 0.122 0.000 1.235 481 Y CA -0.104 58.039 58.100 0.073 0.000 1.492 481 Y CB 0.392 38.879 38.460 0.045 0.000 1.308 481 Y HN 0.700 nan 8.280 nan 0.000 0.589 482 M N 1.552 121.342 119.600 0.317 0.000 2.748 482 M HA -0.084 4.304 4.480 -0.153 0.000 0.241 482 M C 0.947 177.365 176.300 0.196 0.000 1.080 482 M CA 1.016 56.483 55.300 0.277 0.000 1.068 482 M CB -0.451 32.333 32.600 0.306 0.000 1.536 482 M HN 0.831 nan 8.290 nan 0.000 0.540 483 T N -3.464 111.199 114.554 0.183 0.000 3.264 483 T HA 0.231 4.489 4.350 -0.153 0.000 0.257 483 T C 0.393 175.145 174.700 0.087 0.000 0.976 483 T CA -0.348 61.819 62.100 0.113 0.000 0.908 483 T CB -0.051 68.867 68.868 0.083 0.000 1.082 483 T HN 0.383 nan 8.240 nan 0.000 0.567 484 E N 0.655 120.891 120.200 0.061 0.000 3.067 484 E HA 0.266 4.524 4.350 -0.153 0.000 0.188 484 E C -0.601 175.946 176.600 -0.089 0.000 0.964 484 E CA -0.221 56.187 56.400 0.013 0.000 1.286 484 E CB 1.595 31.331 29.700 0.060 0.000 1.051 484 E HN 0.551 nan 8.360 nan 0.000 0.465 485 V N -1.122 118.687 119.914 -0.175 0.000 2.971 485 V HA 0.600 4.628 4.120 -0.153 0.000 0.309 485 V C -0.860 174.870 176.094 -0.608 0.000 1.130 485 V CA -1.182 60.839 62.300 -0.466 0.000 0.964 485 V CB 2.159 33.556 31.823 -0.710 0.000 1.029 485 V HN 0.063 nan 8.190 nan 0.000 0.427 486 N N 1.540 119.795 118.700 -0.741 0.000 2.284 486 N HA 0.709 5.357 4.740 -0.153 0.000 0.300 486 N C -1.579 173.449 175.510 -0.803 0.000 1.047 486 N CA -0.654 52.038 53.050 -0.598 0.000 0.821 486 N CB 1.724 40.056 38.487 -0.257 0.000 1.337 486 N HN 0.635 nan 8.380 nan 0.000 0.482 487 F N 1.815 121.683 119.950 -0.137 0.000 2.334 487 F HA 0.421 4.854 4.527 -0.156 0.000 0.343 487 F C 0.799 176.559 175.800 -0.067 0.000 1.136 487 F CA -0.778 57.118 58.000 -0.174 0.000 1.237 487 F CB 0.472 39.353 39.000 -0.197 0.000 1.525 487 F HN 0.223 nan 8.300 nan 0.000 0.528 488 R N 2.384 122.899 120.500 0.025 0.000 2.340 488 R HA 0.155 4.403 4.340 -0.153 0.000 0.300 488 R C -0.306 176.033 176.300 0.064 0.000 1.069 488 R CA -0.534 55.589 56.100 0.038 0.000 0.984 488 R CB 0.528 30.828 30.300 0.000 0.000 1.003 488 R HN 0.437 nan 8.270 nan 0.000 0.459 489 D N 4.246 124.689 120.400 0.072 0.000 2.345 489 D HA 0.175 4.723 4.640 -0.153 0.000 0.247 489 D C 0.099 176.430 176.300 0.052 0.000 1.108 489 D CA -0.230 53.815 54.000 0.075 0.000 0.894 489 D CB 1.356 42.204 40.800 0.080 0.000 1.203 489 D HN 0.247 nan 8.370 nan 0.000 0.430 512 D N 1.242 121.505 120.400 -0.229 0.000 2.256 512 D HA 0.555 5.103 4.640 -0.153 0.000 0.250 512 D C -0.386 175.738 176.300 -0.293 0.000 1.093 512 D CA 0.376 54.217 54.000 -0.265 0.000 0.882 512 D CB 2.550 43.280 40.800 -0.117 0.000 1.185 512 D HN 0.104 nan 8.370 nan 0.000 0.437 513 V N 2.155 121.831 119.914 -0.397 0.000 2.925 513 V HA 0.403 4.431 4.120 -0.153 0.000 0.311 513 V C -0.648 175.226 176.094 -0.367 0.000 1.104 513 V CA -1.009 61.010 62.300 -0.469 0.000 0.954 513 V CB 1.843 33.514 31.823 -0.253 0.000 1.022 513 V HN 0.369 nan 8.190 nan 0.000 0.427 514 F N 1.195 120.968 119.950 -0.295 0.000 2.366 514 F HA 0.553 4.990 4.527 -0.150 0.000 0.357 514 F C -2.188 173.218 175.800 -0.657 0.000 1.107 514 F CA -2.680 55.110 58.000 -0.349 0.000 1.208 514 F CB 0.685 39.545 39.000 -0.233 0.000 1.464 514 F HN 0.251 nan 8.300 nan 0.000 0.501 515 P HA -0.229 nan 4.420 nan 0.000 0.222 515 P C 1.518 178.904 177.300 0.142 0.000 1.142 515 P CA 1.564 64.499 63.100 -0.275 0.000 0.788 515 P CB 0.254 31.865 31.700 -0.148 0.000 0.767 516 E N 0.455 120.721 120.200 0.110 0.000 2.076 516 E HA -0.164 4.094 4.350 -0.153 0.000 0.190 516 E C 1.627 178.306 176.600 0.131 0.000 0.979 516 E CA 1.001 57.499 56.400 0.164 0.000 0.807 516 E CB -0.462 29.296 29.700 0.097 0.000 0.761 516 E HN 0.212 nan 8.360 nan 0.000 0.454 517 E N -0.584 119.683 120.200 0.112 0.000 2.478 517 E HA -0.093 4.165 4.350 -0.153 0.000 0.198 517 E C 1.212 178.053 176.600 0.403 0.000 1.046 517 E CA 0.090 56.614 56.400 0.206 0.000 0.870 517 E CB -0.034 29.789 29.700 0.204 0.000 0.818 517 E HN 0.335 nan 8.360 nan 0.000 0.527 518 F N 1.488 121.701 119.950 0.437 0.000 2.216 518 F HA -0.157 4.280 4.527 -0.150 0.000 0.300 518 F C 2.310 178.364 175.800 0.424 0.000 1.085 518 F CA 1.175 59.433 58.000 0.430 0.000 1.326 518 F CB -0.673 38.585 39.000 0.429 0.000 1.027 518 F HN 0.069 nan 8.300 nan 0.000 0.497 519 R N -0.242 120.546 120.500 0.480 0.000 2.159 519 R HA -0.215 4.033 4.340 -0.153 0.000 0.237 519 R C 2.196 178.581 176.300 0.142 0.000 1.131 519 R CA 1.833 57.980 56.100 0.079 0.000 0.982 519 R CB -1.515 28.398 30.300 -0.645 0.000 0.868 519 R HN 0.422 nan 8.270 nan 0.000 0.453 520 H N 0.034 119.197 119.070 0.155 0.000 2.267 520 H HA -0.191 4.273 4.556 -0.153 0.000 0.297 520 H C 1.298 176.708 175.328 0.136 0.000 1.080 520 H CA 1.854 57.969 56.048 0.113 0.000 1.278 520 H CB -0.238 29.620 29.762 0.160 0.000 1.365 520 H HN 0.399 nan 8.280 nan 0.000 0.489 521 W N 0.603 121.843 121.300 -0.100 0.000 2.518 521 W HA -0.092 4.478 4.660 -0.151 0.000 0.273 521 W C 2.312 178.818 176.519 -0.022 0.000 1.247 521 W CA 0.235 57.494 57.345 -0.142 0.000 1.288 521 W CB -0.074 29.401 29.460 0.025 0.000 1.107 521 W HN 0.287 nan 8.180 nan 0.000 0.586 522 L N -0.136 121.227 121.223 0.233 0.000 2.071 522 L HA -0.042 4.206 4.340 -0.153 0.000 0.201 522 L C 1.386 178.265 176.870 0.016 0.000 1.076 522 L CA 1.545 56.446 54.840 0.101 0.000 0.755 522 L CB -0.721 41.451 42.059 0.189 0.000 0.915 522 L HN -0.290 nan 8.230 nan 0.000 0.445 523 C N 0.680 119.996 119.300 0.027 0.000 2.865 523 C HA 0.462 4.830 4.460 -0.153 0.000 0.545 523 C C 1.745 176.705 174.990 -0.052 0.000 1.154 523 C CA 0.006 59.007 59.018 -0.028 0.000 1.375 523 C CB -1.726 26.012 27.740 -0.004 0.000 1.627 523 C HN 0.513 nan 8.230 nan 0.000 0.623 524 A N -0.142 122.631 122.820 -0.079 0.000 2.115 524 A HA 0.127 4.355 4.320 -0.153 0.000 0.211 524 A C 0.612 178.135 177.584 -0.102 0.000 1.169 524 A CA 0.607 52.567 52.037 -0.128 0.000 0.787 524 A CB 0.078 18.950 19.000 -0.213 0.000 0.858 524 A HN 0.574 nan 8.150 nan 0.000 0.474 525 D N -0.633 119.712 120.400 -0.091 0.000 2.217 525 D HA 0.447 4.995 4.640 -0.153 0.000 0.243 525 D C -2.383 173.889 176.300 -0.046 0.000 1.054 525 D CA -1.956 51.996 54.000 -0.079 0.000 0.838 525 D CB 1.886 42.622 40.800 -0.108 0.000 1.162 525 D HN -0.104 nan 8.370 nan 0.000 0.472 526 P HA 0.133 nan 4.420 nan 0.000 0.249 526 P C 0.800 178.099 177.300 -0.001 0.000 1.241 526 P CA 0.316 63.410 63.100 -0.010 0.000 0.781 526 P CB 0.362 32.055 31.700 -0.012 0.000 1.088 527 R N -0.495 119.999 120.500 -0.010 0.000 2.167 527 R HA 0.153 4.401 4.340 -0.153 0.000 0.201 527 R C 1.468 177.785 176.300 0.027 0.000 1.024 527 R CA 0.570 56.671 56.100 0.002 0.000 1.053 527 R CB -0.063 30.227 30.300 -0.017 0.000 0.987 527 R HN 0.079 nan 8.270 nan 0.000 0.493 528 I N -0.273 120.304 120.570 0.011 0.000 2.685 528 I HA 0.168 4.246 4.170 -0.153 0.000 0.251 528 I C 2.350 178.573 176.117 0.177 0.000 1.102 528 I CA 0.930 62.269 61.300 0.064 0.000 1.442 528 I CB -0.598 37.350 38.000 -0.087 0.000 1.194 528 I HN 0.196 nan 8.210 nan 0.000 0.448 529 G N 2.389 111.221 108.800 0.052 0.000 2.721 529 G HA2 -0.227 3.641 3.960 -0.153 0.000 0.218 529 G HA3 -0.227 3.641 3.960 -0.153 0.000 0.218 529 G C -0.473 174.616 174.900 0.315 0.000 1.265 529 G CA 1.297 46.447 45.100 0.082 0.000 0.796 529 G HN 0.231 nan 8.290 nan 0.000 0.620 530 P HA -0.141 nan 4.420 nan 0.000 0.219 530 P C 2.099 179.530 177.300 0.218 0.000 1.153 530 P CA 0.963 64.174 63.100 0.184 0.000 0.865 530 P CB -0.195 31.572 31.700 0.113 0.000 0.788 531 L N -2.996 118.370 121.223 0.238 0.000 2.189 531 L HA -0.182 4.066 4.340 -0.153 0.000 0.214 531 L C 2.336 179.291 176.870 0.143 0.000 1.097 531 L CA 1.809 56.745 54.840 0.159 0.000 0.764 531 L CB -1.187 40.950 42.059 0.129 0.000 0.900 531 L HN 0.033 nan 8.230 nan 0.000 0.436 532 F N 0.102 120.137 119.950 0.141 0.000 2.259 532 F HA -0.101 4.332 4.527 -0.155 0.000 0.298 532 F C 2.603 178.562 175.800 0.265 0.000 1.088 532 F CA 0.633 58.756 58.000 0.204 0.000 1.358 532 F CB -0.042 39.111 39.000 0.255 0.000 1.040 532 F HN 0.053 nan 8.300 nan 0.000 0.505 533 E N 0.338 120.785 120.200 0.410 0.000 2.274 533 E HA -0.189 4.069 4.350 -0.153 0.000 0.194 533 E C 1.943 178.649 176.600 0.176 0.000 0.996 533 E CA 0.561 57.144 56.400 0.304 0.000 0.840 533 E CB -0.149 29.684 29.700 0.222 0.000 0.772 533 E HN 0.569 nan 8.360 nan 0.000 0.491 534 E N 0.006 120.287 120.200 0.136 0.000 2.028 534 E HA -0.134 4.124 4.350 -0.153 0.000 0.191 534 E C 1.874 178.491 176.600 0.028 0.000 0.988 534 E CA 1.066 57.507 56.400 0.068 0.000 0.799 534 E CB 0.200 29.931 29.700 0.051 0.000 0.755 534 E HN 0.142 nan 8.360 nan 0.000 0.447 535 M N -1.363 118.254 119.600 0.028 0.000 2.940 535 M HA 0.079 4.467 4.480 -0.153 0.000 0.248 535 M C 0.658 176.859 176.300 -0.166 0.000 1.379 535 M CA 0.370 55.636 55.300 -0.057 0.000 1.262 535 M CB 0.365 32.979 32.600 0.025 0.000 1.201 535 M HN 0.010 nan 8.290 nan 0.000 0.553 536 H N 0.417 119.407 119.070 -0.133 0.000 2.595 536 H HA 0.406 4.869 4.556 -0.154 0.000 0.264 536 H C 0.986 176.215 175.328 -0.165 0.000 1.503 536 H CA -0.008 55.928 56.048 -0.188 0.000 1.142 536 H CB -0.173 29.465 29.762 -0.205 0.000 1.554 536 H HN 0.317 nan 8.280 nan 0.000 0.501 537 A N 0.143 122.962 122.820 -0.003 0.000 1.970 537 A HA -0.113 4.115 4.320 -0.153 0.000 0.216 537 A C 1.649 179.271 177.584 0.063 0.000 1.170 537 A CA 1.077 53.206 52.037 0.153 0.000 0.645 537 A CB 0.162 19.248 19.000 0.143 0.000 0.816 537 A HN 0.418 nan 8.150 nan 0.000 0.447 538 D N 0.463 120.775 120.400 -0.145 0.000 2.144 538 D HA -0.171 4.377 4.640 -0.153 0.000 0.199 538 D C 1.822 178.014 176.300 -0.179 0.000 0.984 538 D CA 0.880 54.758 54.000 -0.203 0.000 0.834 538 D CB -0.710 39.761 40.800 -0.550 0.000 0.955 538 D HN 0.439 nan 8.370 nan 0.000 0.465 539 L N -0.284 120.749 121.223 -0.317 0.000 2.129 539 L HA -0.228 4.020 4.340 -0.153 0.000 0.212 539 L C 1.992 178.959 176.870 0.162 0.000 1.087 539 L CA 1.213 55.902 54.840 -0.252 0.000 0.757 539 L CB -0.154 41.703 42.059 -0.337 0.000 0.896 539 L HN -0.137 nan 8.230 nan 0.000 0.434 540 F N 0.037 120.186 119.950 0.331 0.000 2.234 540 F HA -0.032 4.404 4.527 -0.152 0.000 0.296 540 F C 1.642 177.648 175.800 0.343 0.000 1.089 540 F CA 0.414 58.632 58.000 0.363 0.000 1.343 540 F CB -0.571 38.581 39.000 0.253 0.000 1.040 540 F HN 0.111 nan 8.300 nan 0.000 0.498 541 R N 1.379 122.150 120.500 0.451 0.000 2.298 541 R HA 0.487 4.735 4.340 -0.153 0.000 0.310 541 R C 0.797 177.362 176.300 0.442 0.000 1.068 541 R CA 0.378 56.690 56.100 0.352 0.000 0.957 541 R CB 0.994 31.438 30.300 0.239 0.000 1.003 541 R HN 0.100 nan 8.270 nan 0.000 0.454 542 A N 3.378 126.430 122.820 0.388 0.000 2.234 542 A HA -0.152 4.076 4.320 -0.153 0.000 0.216 542 A C 0.986 178.790 177.584 0.367 0.000 1.167 542 A CA 1.308 53.598 52.037 0.423 0.000 0.698 542 A CB -0.289 18.864 19.000 0.254 0.000 0.779 542 A HN 0.868 nan 8.150 nan 0.000 0.475 543 D N -2.005 118.558 120.400 0.273 0.000 2.234 543 D HA -0.069 4.479 4.640 -0.153 0.000 0.205 543 D C 1.434 177.825 176.300 0.152 0.000 0.962 543 D CA 0.838 54.948 54.000 0.184 0.000 0.855 543 D CB -0.238 40.646 40.800 0.141 0.000 0.951 543 D HN 0.591 nan 8.370 nan 0.000 0.500 544 Y N -0.175 120.125 120.300 -0.001 0.000 2.263 544 Y HA -0.137 4.320 4.550 -0.155 0.000 0.292 544 Y C 1.866 177.644 175.900 -0.203 0.000 1.130 544 Y CA 1.102 59.107 58.100 -0.157 0.000 1.179 544 Y CB -0.315 37.965 38.460 -0.299 0.000 0.998 544 Y HN -0.043 nan 8.280 nan 0.000 0.532 545 W N 0.175 121.468 121.300 -0.012 0.000 2.348 545 W HA -0.194 4.371 4.660 -0.157 0.000 0.324 545 W C 2.883 179.303 176.519 -0.165 0.000 1.209 545 W CA 2.112 59.328 57.345 -0.215 0.000 1.275 545 W CB -0.674 28.614 29.460 -0.286 0.000 1.175 545 W HN -0.193 nan 8.180 nan 0.000 0.461 546 R N 0.269 120.938 120.500 0.281 0.000 2.070 546 R HA -0.137 4.111 4.340 -0.153 0.000 0.233 546 R C 2.017 178.366 176.300 0.083 0.000 1.137 546 R CA 1.844 58.076 56.100 0.220 0.000 0.945 546 R CB -0.686 29.736 30.300 0.204 0.000 0.845 546 R HN 0.137 nan 8.270 nan 0.000 0.430 547 A N 0.331 123.161 122.820 0.018 0.000 2.238 547 A HA 0.009 4.237 4.320 -0.153 0.000 0.208 547 A C 1.642 179.138 177.584 -0.146 0.000 1.177 547 A CA 0.335 52.345 52.037 -0.045 0.000 0.804 547 A CB -0.071 18.910 19.000 -0.033 0.000 0.823 547 A HN 0.418 nan 8.150 nan 0.000 0.482 548 L N -2.002 119.090 121.223 -0.218 0.000 2.556 548 L HA 0.185 4.433 4.340 -0.153 0.000 0.226 548 L C 1.947 178.728 176.870 -0.148 0.000 1.089 548 L CA 0.973 55.620 54.840 -0.322 0.000 0.864 548 L CB -0.091 41.581 42.059 -0.644 0.000 1.067 548 L HN 0.358 nan 8.230 nan 0.000 0.477 549 Q N -0.203 119.568 119.800 -0.048 0.000 2.083 549 Q HA -0.119 4.129 4.340 -0.153 0.000 0.198 549 Q C 1.488 177.501 176.000 0.023 0.000 0.969 549 Q CA 1.541 57.362 55.803 0.030 0.000 0.838 549 Q CB -0.020 28.779 28.738 0.102 0.000 0.900 549 Q HN 0.531 nan 8.270 nan 0.000 0.436 550 N N 0.576 119.280 118.700 0.006 0.000 2.417 550 N HA -0.163 4.485 4.740 -0.153 0.000 0.187 550 N C 1.128 176.637 175.510 -0.001 0.000 1.027 550 N CA 0.934 53.987 53.050 0.005 0.000 0.891 550 N CB -0.103 38.380 38.487 -0.006 0.000 0.956 550 N HN 0.097 nan 8.380 nan 0.000 0.442 551 R N -0.347 120.141 120.500 -0.020 0.000 2.310 551 R HA 0.281 4.529 4.340 -0.153 0.000 0.202 551 R C 1.142 177.496 176.300 0.090 0.000 0.933 551 R CA 0.180 56.269 56.100 -0.019 0.000 1.054 551 R CB 0.199 30.428 30.300 -0.118 0.000 0.985 551 R HN 0.223 nan 8.270 nan 0.000 0.489 552 I N -0.214 120.405 120.570 0.082 0.000 2.900 552 I HA -0.049 4.029 4.170 -0.153 0.000 0.251 552 I C 1.251 177.421 176.117 0.087 0.000 1.102 552 I CA 0.148 61.510 61.300 0.104 0.000 1.457 552 I CB 0.108 38.156 38.000 0.080 0.000 1.285 552 I HN 0.016 nan 8.210 nan 0.000 0.459 553 R N 1.482 122.015 120.500 0.056 0.000 2.386 553 R HA 0.054 4.302 4.340 -0.153 0.000 0.216 553 R C 0.634 176.959 176.300 0.042 0.000 1.119 553 R CA 0.449 56.571 56.100 0.037 0.000 1.158 553 R CB -0.515 29.799 30.300 0.024 0.000 1.057 553 R HN 0.472 nan 8.270 nan 0.000 0.489 554 E N -0.038 120.201 120.200 0.065 0.000 2.465 554 E HA 0.114 4.372 4.350 -0.153 0.000 0.209 554 E C 0.939 177.606 176.600 0.113 0.000 0.951 554 E CA 0.447 56.889 56.400 0.068 0.000 0.997 554 E CB 1.119 30.850 29.700 0.053 0.000 1.025 554 E HN 0.613 nan 8.360 nan 0.000 0.500 555 G N 1.249 110.146 108.800 0.162 0.000 2.380 555 G HA2 -0.220 3.648 3.960 -0.153 0.000 0.197 555 G HA3 -0.220 3.648 3.960 -0.153 0.000 0.197 555 G C 0.207 175.278 174.900 0.284 0.000 1.001 555 G CA -0.106 45.164 45.100 0.284 0.000 0.668 555 G HN 0.404 nan 8.290 nan 0.000 0.483 556 H N 0.895 120.025 119.070 0.099 0.000 3.016 556 H HA 0.372 4.837 4.556 -0.151 0.000 0.345 556 H C -0.610 174.741 175.328 0.038 0.000 1.066 556 H CA 1.282 57.359 56.048 0.049 0.000 1.390 556 H CB 0.842 30.612 29.762 0.013 0.000 1.344 556 H HN 0.114 nan 8.280 nan 0.000 0.605 557 V N 4.679 124.187 119.914 -0.677 0.000 2.604 557 V HA 0.053 4.081 4.120 -0.153 0.000 0.305 557 V C -0.157 175.355 176.094 -0.969 0.000 1.043 557 V CA -0.796 61.152 62.300 -0.587 0.000 0.888 557 V CB 1.709 33.337 31.823 -0.325 0.000 0.995 557 V HN 0.772 nan 8.190 nan 0.000 0.429 558 E N 2.478 122.337 120.200 -0.569 0.000 2.229 558 E HA 0.215 4.473 4.350 -0.153 0.000 0.283 558 E C -0.617 175.800 176.600 -0.305 0.000 1.030 558 E CA -0.286 55.901 56.400 -0.355 0.000 0.836 558 E CB 0.861 30.472 29.700 -0.148 0.000 1.068 558 E HN 0.642 nan 8.360 nan 0.000 0.401 559 D N 3.980 124.229 120.400 -0.252 0.000 2.597 559 D HA 0.024 4.572 4.640 -0.153 0.000 0.228 559 D C -0.197 175.665 176.300 -0.729 0.000 1.120 559 D CA 0.089 53.887 54.000 -0.336 0.000 1.083 559 D CB 0.006 40.745 40.800 -0.102 0.000 1.116 559 D HN 0.241 nan 8.370 nan 0.000 0.487 560 V N 2.229 121.847 119.914 -0.492 0.000 2.901 560 V HA 0.082 4.110 4.120 -0.153 0.000 0.307 560 V C -0.693 175.076 176.094 -0.541 0.000 1.084 560 V CA 0.300 62.306 62.300 -0.489 0.000 1.184 560 V CB 0.089 31.768 31.823 -0.240 0.000 0.941 560 V HN 0.403 nan 8.190 nan 0.000 0.493 561 Y N 3.555 123.757 120.300 -0.163 0.000 2.570 561 Y HA 0.718 5.177 4.550 -0.151 0.000 0.345 561 Y C 0.500 176.339 175.900 -0.102 0.000 1.014 561 Y CA -0.628 57.368 58.100 -0.175 0.000 1.063 561 Y CB 2.086 40.216 38.460 -0.550 0.000 1.272 561 Y HN 0.583 nan 8.280 nan 0.000 0.477 562 A N 1.117 124.114 122.820 0.296 0.000 2.630 562 A HA 0.398 4.626 4.320 -0.153 0.000 0.290 562 A C -1.081 176.699 177.584 0.326 0.000 1.267 562 A CA -0.192 52.003 52.037 0.264 0.000 0.950 562 A CB -0.844 18.356 19.000 0.334 0.000 1.144 562 A HN 0.624 nan 8.150 nan 0.000 0.527 563 Y N -3.104 117.261 120.300 0.107 0.000 2.609 563 Y HA 0.694 5.152 4.550 -0.154 0.000 0.342 563 Y C -0.255 175.668 175.900 0.038 0.000 1.058 563 Y CA -2.142 55.986 58.100 0.046 0.000 1.055 563 Y CB 0.660 39.116 38.460 -0.007 0.000 1.292 563 Y HN 0.006 nan 8.280 nan 0.000 0.476 564 R N 1.966 122.530 120.500 0.108 0.000 2.458 564 R HA 0.126 4.374 4.340 -0.153 0.000 0.303 564 R C 0.779 177.099 176.300 0.032 0.000 1.013 564 R CA -0.038 56.083 56.100 0.035 0.000 1.026 564 R CB 0.571 30.916 30.300 0.076 0.000 0.948 564 R HN 0.888 nan 8.270 nan 0.000 0.417 565 R N 2.277 122.710 120.500 -0.111 0.000 2.103 565 R HA -0.200 4.048 4.340 -0.153 0.000 0.242 565 R C 1.882 178.240 176.300 0.097 0.000 1.142 565 R CA 1.726 57.732 56.100 -0.156 0.000 0.960 565 R CB -0.087 30.153 30.300 -0.100 0.000 0.858 565 R HN 0.541 nan 8.270 nan 0.000 0.439 566 R N 0.577 121.136 120.500 0.098 0.000 2.244 566 R HA -0.232 4.016 4.340 -0.153 0.000 0.252 566 R C 1.865 178.294 176.300 0.215 0.000 1.177 566 R CA 1.292 57.473 56.100 0.135 0.000 1.004 566 R CB -0.363 30.004 30.300 0.112 0.000 0.873 566 R HN 0.514 nan 8.270 nan 0.000 0.469 567 Q N 1.124 121.083 119.800 0.266 0.000 2.435 567 Q HA -0.044 4.204 4.340 -0.153 0.000 0.207 567 Q C 0.228 176.203 176.000 -0.043 0.000 0.956 567 Q CA 0.328 56.239 55.803 0.181 0.000 0.917 567 Q CB 0.108 28.943 28.738 0.161 0.000 0.997 567 Q HN 0.450 nan 8.270 nan 0.000 0.497 568 R N -0.252 120.265 120.500 0.029 0.000 2.537 568 R HA 0.037 4.285 4.340 -0.153 0.000 0.280 568 R C 0.202 176.532 176.300 0.050 0.000 1.058 568 R CA -0.293 55.699 56.100 -0.181 0.000 1.057 568 R CB 0.187 30.430 30.300 -0.095 0.000 0.973 568 R HN -0.140 nan 8.270 nan 0.000 0.438 569 F N 1.240 121.177 119.950 -0.023 0.000 2.192 569 F HA -0.230 4.206 4.527 -0.151 0.000 0.301 569 F C 2.593 178.480 175.800 0.145 0.000 1.079 569 F CA 1.695 59.727 58.000 0.053 0.000 1.303 569 F CB -0.721 38.301 39.000 0.037 0.000 1.024 569 F HN 0.709 nan 8.300 nan 0.000 0.494 570 S N -0.875 114.969 115.700 0.239 0.000 2.414 570 S HA -0.018 4.360 4.470 -0.153 0.000 0.227 570 S C 0.907 175.597 174.600 0.151 0.000 1.022 570 S CA 0.147 58.424 58.200 0.129 0.000 0.958 570 S CB -0.291 62.903 63.200 -0.010 0.000 0.797 570 S HN -0.064 nan 8.310 nan 0.000 0.493 571 V N 3.052 123.061 119.914 0.159 0.000 2.455 571 V HA 0.396 4.424 4.120 -0.153 0.000 0.273 571 V C 0.788 176.989 176.094 0.177 0.000 1.045 571 V CA 0.030 62.406 62.300 0.127 0.000 0.976 571 V CB 0.320 32.198 31.823 0.091 0.000 0.993 571 V HN 0.593 nan 8.190 nan 0.000 0.475 572 R N 3.297 123.836 120.500 0.065 0.000 4.010 572 R HA -0.224 4.024 4.340 -0.153 0.000 0.409 572 R C -0.886 175.257 176.300 -0.262 0.000 1.120 572 R CA 1.479 57.533 56.100 -0.078 0.000 1.244 572 R CB -1.469 28.774 30.300 -0.094 0.000 1.799 572 R HN 0.699 nan 8.270 nan 0.000 0.559 573 Y N 0.179 120.545 120.300 0.109 0.000 2.705 573 Y HA 0.487 4.944 4.550 -0.154 0.000 0.355 573 Y C 0.818 176.828 175.900 0.183 0.000 1.039 573 Y CA 0.503 58.686 58.100 0.139 0.000 1.233 573 Y CB 1.853 40.439 38.460 0.210 0.000 1.103 573 Y HN 0.346 nan 8.280 nan 0.000 0.624 574 G N 0.000 108.921 108.800 0.202 0.000 5.446 574 G HA2 0.000 3.868 3.960 -0.153 0.000 0.244 574 G HA3 0.000 3.868 3.960 -0.153 0.000 0.244 574 G CA 0.000 45.217 45.100 0.196 0.000 0.502 574 G HN 0.000 nan 8.290 nan 0.000 0.925