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 3dlb_1_B DATA FIRST_RESID 6 DATA SEQUENCE KTEVFLNRFA LRPLNPEELR PWRLEVVLDP PPGREEVYPL LAQVARRAGG DATA SEQUENCE VTVRMGDGLA SWSPPEVLVL EGTLARMGQT YAYRLYPKGR RPLDPKDPGE DATA SEQUENCE RSVLSALARR LLQERLRRLE GVWVEGLAVY RREHARGPGW RVLGGAVLDL DATA SEQUENCE WVSDSGAFLL EVDPAYRILC EMSLEAWLAQ GHPLPKRVRN AYDRRTWELL DATA SEQUENCE RLGEEDPKEL PLPGGLSLLD YHASKGRLQG REGGRVAWVA DPKDPRKPIP DATA SEQUENCE HLTGLLVPVX XXXXXXXXXG SLALSLPWEE RRRRTREIAS WIGRRLGLGT DATA SEQUENCE PEAVRAQAYR LSIPKLMGRR AVSKPADALR VGFYRAQETA LALLRLDGAX DATA SEQUENCE GWPEFLRRAL LRAFGASGAS LRLHTLHAHP SQGLAFREAL RKAKEEGVQA DATA SEQUENCE VLVLTPPMAW EDRNRLKALL LREGLPSQIL NVPLREEERH RWENALLGLL DATA SEQUENCE AKAGLQVVAL SGAYPAELAV GFDAGGRESF RFGGAACAVG GDGGHLLWTL DATA SEQUENCE PXXXXXXRIP QEVVWDLLEE TLWAFRRKAG RLPSRVLLLR DGRVPQDEFA DATA SEQUENCE LALEALAREG IAYDLVSVRK SGGGRVYPVQ GRLADGLYVP LEDKTFLLLT DATA SEQUENCE VXXXXXXTPR PLKLVHEAGD TPLEALAHQI FHLTRLY 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.477 176.600 -0.206 0.000 0.988 6 K CA 0.000 56.138 56.287 -0.248 0.000 0.838 6 K CB 0.000 32.382 32.500 -0.198 0.000 1.064 7 T N -0.470 113.922 114.554 -0.269 0.000 2.843 7 T HA 0.668 5.018 4.350 0.000 0.000 0.302 7 T C -1.400 173.169 174.700 -0.219 0.000 1.232 7 T CA -0.200 61.786 62.100 -0.188 0.000 1.009 7 T CB 1.874 70.664 68.868 -0.130 0.000 1.254 7 T HN 0.869 nan 8.240 nan 0.000 0.504 8 E N 1.177 121.265 120.200 -0.185 0.000 2.191 8 E HA 0.616 4.966 4.350 0.000 0.000 0.278 8 E C -0.473 175.994 176.600 -0.221 0.000 0.972 8 E CA -0.579 55.692 56.400 -0.215 0.000 0.804 8 E CB 1.319 30.885 29.700 -0.223 0.000 1.110 8 E HN 0.739 nan 8.360 nan 0.000 0.394 9 V N 0.922 120.698 119.914 -0.230 0.000 3.130 9 V HA 0.642 4.762 4.120 0.000 0.000 0.310 9 V C -0.987 174.992 176.094 -0.191 0.000 1.158 9 V CA -0.999 61.197 62.300 -0.173 0.000 1.029 9 V CB 1.500 33.279 31.823 -0.074 0.000 1.057 9 V HN 0.657 nan 8.190 nan 0.000 0.436 10 F N 1.664 121.638 119.950 0.041 0.000 2.436 10 F HA 0.701 5.228 4.527 0.000 0.000 0.340 10 F C 0.042 175.840 175.800 -0.003 0.000 1.113 10 F CA -0.744 57.279 58.000 0.039 0.000 1.022 10 F CB 1.823 40.902 39.000 0.132 0.000 1.128 10 F HN 0.347 nan 8.300 nan 0.000 0.466 11 L N 3.679 125.001 121.223 0.164 0.000 2.334 11 L HA 0.299 4.639 4.340 0.000 0.000 0.275 11 L C 0.515 177.339 176.870 -0.077 0.000 1.036 11 L CA -1.022 53.825 54.840 0.012 0.000 0.807 11 L CB 1.260 43.319 42.059 0.000 0.000 1.231 11 L HN 0.605 nan 8.230 nan 0.000 0.438 12 N N 2.305 120.961 118.700 -0.073 0.000 2.906 12 N HA 0.027 4.767 4.740 0.000 0.000 0.282 12 N C -0.219 175.211 175.510 -0.132 0.000 1.293 12 N CA 0.031 53.050 53.050 -0.051 0.000 1.059 12 N CB -0.109 38.430 38.487 0.087 0.000 1.388 12 N HN 0.596 nan 8.380 nan 0.000 0.533 13 R N -0.294 119.973 120.500 -0.388 0.000 2.902 13 R HA 0.627 4.967 4.340 0.000 0.000 0.258 13 R C -1.027 174.792 176.300 -0.801 0.000 1.071 13 R CA -0.686 55.236 56.100 -0.297 0.000 1.024 13 R CB 1.179 31.412 30.300 -0.110 0.000 1.184 13 R HN 0.051 nan 8.270 nan 0.000 0.492 14 F N 0.106 120.035 119.950 -0.034 0.000 2.787 14 F HA 0.353 4.880 4.527 0.000 0.000 0.340 14 F C -0.134 175.625 175.800 -0.067 0.000 1.232 14 F CA -0.854 57.125 58.000 -0.035 0.000 1.051 14 F CB 1.739 40.722 39.000 -0.028 0.000 1.330 14 F HN 0.600 nan 8.300 nan 0.000 0.522 15 A N 4.451 127.312 122.820 0.069 0.000 2.462 15 A HA 0.707 5.027 4.320 0.000 0.000 0.243 15 A C -0.393 177.228 177.584 0.062 0.000 1.076 15 A CA 0.129 52.181 52.037 0.026 0.000 0.773 15 A CB 0.408 19.416 19.000 0.013 0.000 1.010 15 A HN 0.819 nan 8.150 nan 0.000 0.493 16 L N 0.812 122.072 121.223 0.062 0.000 2.242 16 L HA 0.568 4.908 4.340 0.000 0.000 0.261 16 L C 0.906 177.824 176.870 0.080 0.000 1.052 16 L CA -1.289 53.586 54.840 0.058 0.000 0.972 16 L CB 0.928 43.015 42.059 0.047 0.000 1.562 16 L HN 1.000 nan 8.230 nan 0.000 0.509 17 R N 0.403 120.938 120.500 0.059 0.000 2.827 17 R HA 0.250 4.590 4.340 0.000 0.000 0.269 17 R C -2.629 173.776 176.300 0.175 0.000 1.048 17 R CA -0.894 55.249 56.100 0.072 0.000 1.173 17 R CB -0.450 29.856 30.300 0.010 0.000 1.070 17 R HN 0.144 nan 8.270 nan 0.000 0.498 18 P HA 0.101 nan 4.420 nan 0.000 0.276 18 P C -0.971 176.415 177.300 0.144 0.000 1.244 18 P CA -0.530 62.628 63.100 0.098 0.000 0.801 18 P CB 0.529 32.255 31.700 0.043 0.000 1.006 19 L N 2.358 123.636 121.223 0.091 0.000 2.397 19 L HA 0.212 4.552 4.340 0.000 0.000 0.271 19 L C 1.061 177.953 176.870 0.037 0.000 1.148 19 L CA 0.241 55.142 54.840 0.101 0.000 0.825 19 L CB -0.514 41.543 42.059 -0.004 0.000 1.117 19 L HN 0.431 nan 8.230 nan 0.000 0.456 20 N N 4.408 123.110 118.700 0.005 0.000 2.347 20 N HA 0.247 4.987 4.740 0.000 0.000 0.253 20 N C -2.014 173.477 175.510 -0.032 0.000 1.274 20 N CA -1.179 51.855 53.050 -0.026 0.000 0.941 20 N CB -0.264 38.191 38.487 -0.054 0.000 1.200 20 N HN 0.375 nan 8.380 nan 0.000 0.514 21 P HA -0.127 nan 4.420 nan 0.000 0.220 21 P C 0.368 177.639 177.300 -0.048 0.000 1.148 21 P CA 1.338 64.418 63.100 -0.033 0.000 0.803 21 P CB 0.273 31.953 31.700 -0.034 0.000 0.782 22 E N 0.661 120.820 120.200 -0.068 0.000 2.046 22 E HA -0.126 4.224 4.350 0.000 0.000 0.190 22 E C 2.071 178.627 176.600 -0.074 0.000 0.982 22 E CA 1.111 57.458 56.400 -0.088 0.000 0.800 22 E CB -0.708 28.941 29.700 -0.086 0.000 0.756 22 E HN 0.416 nan 8.360 nan 0.000 0.449 23 E N 0.020 120.143 120.200 -0.128 0.000 2.268 23 E HA -0.104 4.246 4.350 0.000 0.000 0.195 23 E C 1.460 178.223 176.600 0.273 0.000 0.995 23 E CA 0.525 56.839 56.400 -0.143 0.000 0.836 23 E CB -0.017 29.419 29.700 -0.440 0.000 0.763 23 E HN 0.246 nan 8.360 nan 0.000 0.491 24 L N -0.074 121.218 121.223 0.114 0.000 2.591 24 L HA 0.102 4.442 4.340 0.000 0.000 0.228 24 L C 1.419 178.331 176.870 0.069 0.000 1.133 24 L CA 0.204 55.107 54.840 0.106 0.000 0.880 24 L CB 0.245 42.328 42.059 0.040 0.000 1.033 24 L HN -0.126 nan 8.230 nan 0.000 0.450 25 R N 0.697 121.228 120.500 0.051 0.000 2.795 25 R HA 0.226 4.566 4.340 0.000 0.000 0.320 25 R C -2.453 173.806 176.300 -0.067 0.000 1.223 25 R CA -1.642 54.439 56.100 -0.033 0.000 1.305 25 R CB 0.764 31.003 30.300 -0.101 0.000 1.318 25 R HN -0.086 nan 8.270 nan 0.000 0.636 26 P HA -0.116 nan 4.420 nan 0.000 0.270 26 P C -0.647 176.655 177.300 0.003 0.000 1.227 26 P CA 0.158 63.344 63.100 0.142 0.000 0.788 26 P CB 0.611 32.416 31.700 0.174 0.000 0.926 27 W N 0.963 122.335 121.300 0.120 0.000 2.251 27 W HA 0.428 5.088 4.660 0.000 0.000 0.329 27 W C 1.348 177.896 176.519 0.049 0.000 1.234 27 W CA -0.018 57.373 57.345 0.077 0.000 1.228 27 W CB 0.328 29.835 29.460 0.078 0.000 1.135 27 W HN 0.324 nan 8.180 nan 0.000 0.576 28 R N 1.718 122.375 120.500 0.263 0.000 2.778 28 R HA 0.799 5.139 4.340 0.000 0.000 0.277 28 R C -1.739 174.662 176.300 0.169 0.000 0.977 28 R CA -0.769 55.424 56.100 0.156 0.000 0.950 28 R CB 0.978 31.335 30.300 0.096 0.000 1.165 28 R HN 0.542 nan 8.270 nan 0.000 0.474 29 L N 1.705 123.002 121.223 0.124 0.000 2.455 29 L HA 0.405 4.745 4.340 0.000 0.000 0.264 29 L C -0.685 176.258 176.870 0.121 0.000 0.968 29 L CA -0.520 54.400 54.840 0.134 0.000 0.827 29 L CB 2.319 44.451 42.059 0.122 0.000 1.317 29 L HN 0.670 nan 8.230 nan 0.000 0.407 30 E N 1.150 121.444 120.200 0.157 0.000 2.283 30 E HA 0.735 5.085 4.350 0.000 0.000 0.267 30 E C -1.210 175.507 176.600 0.195 0.000 1.045 30 E CA -0.807 55.666 56.400 0.123 0.000 0.884 30 E CB 2.385 32.118 29.700 0.055 0.000 1.106 30 E HN 0.241 nan 8.360 nan 0.000 0.408 31 V N 1.479 121.477 119.914 0.140 0.000 2.876 31 V HA 0.412 4.532 4.120 0.000 0.000 0.312 31 V C -0.619 175.565 176.094 0.150 0.000 1.085 31 V CA -0.856 61.558 62.300 0.190 0.000 0.945 31 V CB 2.108 34.010 31.823 0.131 0.000 1.017 31 V HN 0.372 nan 8.190 nan 0.000 0.428 32 V N 4.708 124.753 119.914 0.217 0.000 2.638 32 V HA 0.564 4.684 4.120 0.000 0.000 0.306 32 V C -0.565 175.639 176.094 0.184 0.000 1.052 32 V CA -0.402 61.993 62.300 0.159 0.000 0.885 32 V CB 1.860 33.783 31.823 0.166 0.000 0.999 32 V HN 0.659 nan 8.190 nan 0.000 0.424 33 L N 3.364 124.674 121.223 0.145 0.000 2.322 33 L HA 0.777 5.117 4.340 0.000 0.000 0.269 33 L C -1.019 175.957 176.870 0.178 0.000 1.012 33 L CA -0.459 54.484 54.840 0.173 0.000 0.815 33 L CB 2.139 44.265 42.059 0.112 0.000 1.295 33 L HN 0.575 nan 8.230 nan 0.000 0.438 34 D N 1.404 121.941 120.400 0.228 0.000 2.890 34 D HA 0.389 5.029 4.640 0.000 0.000 0.233 34 D C -2.756 173.660 176.300 0.194 0.000 1.306 34 D CA -1.343 52.764 54.000 0.179 0.000 0.929 34 D CB 2.711 43.580 40.800 0.113 0.000 1.512 34 D HN 0.014 nan 8.370 nan 0.000 0.568 35 P HA 0.372 nan 4.420 nan 0.000 0.276 35 P C -2.640 174.813 177.300 0.255 0.000 1.252 35 P CA -1.346 61.843 63.100 0.149 0.000 0.802 35 P CB 0.164 31.905 31.700 0.068 0.000 1.035 36 P HA 0.180 nan 4.420 nan 0.000 0.271 36 P C -2.113 175.282 177.300 0.159 0.000 1.220 36 P CA -0.727 62.453 63.100 0.132 0.000 0.768 36 P CB -0.693 31.055 31.700 0.078 0.000 0.848 37 P HA 0.252 nan 4.420 nan 0.000 0.287 37 P C -0.123 177.204 177.300 0.045 0.000 1.296 37 P CA -0.513 62.650 63.100 0.106 0.000 0.811 37 P CB 0.847 32.516 31.700 -0.052 0.000 1.211 38 G N 0.198 109.021 108.800 0.038 0.000 2.432 38 G HA2 -0.014 3.946 3.960 0.000 0.000 0.239 38 G HA3 -0.014 3.946 3.960 0.000 0.000 0.239 38 G C 0.964 175.849 174.900 -0.025 0.000 1.291 38 G CA -0.306 44.799 45.100 0.009 0.000 0.863 38 G HN 0.591 nan 8.290 nan 0.000 0.560 39 R N 0.717 121.193 120.500 -0.040 0.000 2.211 39 R HA -0.124 4.216 4.340 0.000 0.000 0.240 39 R C 1.888 178.113 176.300 -0.125 0.000 1.144 39 R CA 1.647 57.700 56.100 -0.077 0.000 0.992 39 R CB 0.026 30.278 30.300 -0.079 0.000 0.869 39 R HN 0.597 nan 8.270 nan 0.000 0.462 40 E N -0.089 120.053 120.200 -0.096 0.000 2.427 40 E HA -0.088 4.262 4.350 0.000 0.000 0.196 40 E C 0.940 177.487 176.600 -0.089 0.000 1.028 40 E CA 0.836 57.171 56.400 -0.109 0.000 0.864 40 E CB 0.309 29.968 29.700 -0.068 0.000 0.813 40 E HN 0.411 nan 8.360 nan 0.000 0.514 41 E N -0.931 119.229 120.200 -0.067 0.000 2.415 41 E HA -0.005 4.345 4.350 0.000 0.000 0.197 41 E C 1.770 178.335 176.600 -0.058 0.000 1.007 41 E CA 0.115 56.484 56.400 -0.051 0.000 0.890 41 E CB 0.506 30.182 29.700 -0.040 0.000 0.891 41 E HN 0.064 nan 8.360 nan 0.000 0.496 42 V N 1.337 121.215 119.914 -0.060 0.000 2.231 42 V HA -0.327 3.793 4.120 0.000 0.000 0.250 42 V C 2.075 178.252 176.094 0.138 0.000 1.058 42 V CA 1.915 64.216 62.300 0.002 0.000 1.022 42 V CB -0.720 31.116 31.823 0.021 0.000 0.640 42 V HN 0.281 nan 8.190 nan 0.000 0.445 43 Y N 0.077 120.342 120.300 -0.058 0.000 2.128 43 Y HA -0.085 4.465 4.550 0.000 0.000 0.284 43 Y C 0.401 176.265 175.900 -0.060 0.000 1.154 43 Y CA 0.832 58.901 58.100 -0.053 0.000 1.149 43 Y CB -2.495 35.941 38.460 -0.041 0.000 0.976 43 Y HN 0.384 nan 8.280 nan 0.000 0.505 44 P HA -0.137 nan 4.420 nan 0.000 0.218 44 P C 1.840 179.133 177.300 -0.012 0.000 1.149 44 P CA 1.038 64.158 63.100 0.033 0.000 0.817 44 P CB 0.050 31.761 31.700 0.019 0.000 0.785 45 L N -1.137 120.063 121.223 -0.039 0.000 2.027 45 L HA -0.105 4.235 4.340 0.000 0.000 0.206 45 L C 2.328 179.145 176.870 -0.089 0.000 1.074 45 L CA 1.667 56.447 54.840 -0.099 0.000 0.745 45 L CB -1.662 40.278 42.059 -0.199 0.000 0.898 45 L HN -0.057 nan 8.230 nan 0.000 0.433 46 L N -1.099 120.090 121.223 -0.057 0.000 2.079 46 L HA -0.229 4.111 4.340 0.000 0.000 0.210 46 L C 2.633 179.445 176.870 -0.096 0.000 1.081 46 L CA 1.202 55.997 54.840 -0.075 0.000 0.752 46 L CB -0.864 41.157 42.059 -0.063 0.000 0.896 46 L HN 0.278 nan 8.230 nan 0.000 0.433 47 A N -0.524 122.249 122.820 -0.078 0.000 1.908 47 A HA -0.302 4.018 4.320 0.000 0.000 0.218 47 A C 2.282 179.819 177.584 -0.079 0.000 1.181 47 A CA 1.995 53.987 52.037 -0.076 0.000 0.627 47 A CB -0.566 18.402 19.000 -0.053 0.000 0.818 47 A HN 0.495 nan 8.150 nan 0.000 0.445 48 Q N -0.516 119.237 119.800 -0.079 0.000 2.119 48 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 48 Q C 1.913 177.821 176.000 -0.153 0.000 0.972 48 Q CA 1.542 57.294 55.803 -0.084 0.000 0.847 48 Q CB -0.142 28.558 28.738 -0.062 0.000 0.903 48 Q HN 0.441 nan 8.270 nan 0.000 0.433 49 V N 0.786 120.576 119.914 -0.208 0.000 2.594 49 V HA -0.256 3.864 4.120 0.000 0.000 0.253 49 V C 2.228 178.149 176.094 -0.290 0.000 1.069 49 V CA 1.600 63.676 62.300 -0.373 0.000 1.082 49 V CB -0.870 30.760 31.823 -0.321 0.000 0.680 49 V HN 0.458 nan 8.190 nan 0.000 0.469 50 A N -0.128 122.594 122.820 -0.164 0.000 1.930 50 A HA -0.161 4.159 4.320 0.000 0.000 0.217 50 A C 2.379 179.911 177.584 -0.087 0.000 1.175 50 A CA 1.256 53.228 52.037 -0.108 0.000 0.627 50 A CB -0.358 18.593 19.000 -0.083 0.000 0.815 50 A HN 0.397 nan 8.150 nan 0.000 0.443 51 R N -0.518 119.931 120.500 -0.085 0.000 2.073 51 R HA -0.006 4.334 4.340 0.000 0.000 0.229 51 R C 2.150 178.420 176.300 -0.050 0.000 1.120 51 R CA 0.886 56.957 56.100 -0.048 0.000 0.967 51 R CB -0.569 29.712 30.300 -0.031 0.000 0.862 51 R HN 0.409 nan 8.270 nan 0.000 0.436 52 R N 1.010 121.443 120.500 -0.111 0.000 2.091 52 R HA 0.013 4.353 4.340 0.000 0.000 0.238 52 R C 1.374 177.670 176.300 -0.008 0.000 1.136 52 R CA 1.044 57.093 56.100 -0.085 0.000 0.959 52 R CB -1.053 29.071 30.300 -0.292 0.000 0.856 52 R HN 0.154 nan 8.270 nan 0.000 0.437 53 A N 0.500 123.282 122.820 -0.063 0.000 2.325 53 A HA 0.452 4.772 4.320 0.000 0.000 0.260 53 A C 1.174 178.773 177.584 0.025 0.000 1.133 53 A CA 0.189 52.244 52.037 0.030 0.000 0.801 53 A CB -0.602 18.402 19.000 0.006 0.000 1.092 53 A HN 0.318 nan 8.150 nan 0.000 0.504 54 G N -1.099 107.718 108.800 0.029 0.000 2.196 54 G HA2 0.402 4.362 3.960 0.000 0.000 0.448 54 G HA3 0.402 4.362 3.960 0.000 0.000 0.448 54 G C 0.511 175.425 174.900 0.023 0.000 1.369 54 G CA 0.278 45.391 45.100 0.022 0.000 1.136 54 G HN 1.443 nan 8.290 nan 0.000 0.607 55 G N -3.967 104.852 108.800 0.032 0.000 2.453 55 G HA2 0.550 4.510 3.960 0.000 0.000 0.323 55 G HA3 0.550 4.510 3.960 0.000 0.000 0.323 55 G C -0.203 174.740 174.900 0.073 0.000 1.198 55 G CA 0.160 45.286 45.100 0.044 0.000 0.959 55 G HN 1.465 nan 8.290 nan 0.000 0.482 56 V N -0.594 119.369 119.914 0.082 0.000 5.831 56 V HA -0.195 3.925 4.120 0.000 0.000 0.322 56 V C 0.541 176.697 176.094 0.103 0.000 0.451 56 V CA 1.620 64.000 62.300 0.133 0.000 0.687 56 V CB -2.461 29.502 31.823 0.233 0.000 0.395 56 V HN 1.456 nan 8.190 nan 0.000 1.284 57 T N -1.583 112.993 114.554 0.036 0.000 2.893 57 T HA 0.819 5.169 4.350 0.000 0.000 0.293 57 T C -0.952 173.723 174.700 -0.043 0.000 1.027 57 T CA 0.015 62.119 62.100 0.007 0.000 0.988 57 T CB 2.426 71.305 68.868 0.018 0.000 1.043 57 T HN 0.700 nan 8.240 nan 0.000 0.461 58 V N 2.746 122.616 119.914 -0.074 0.000 3.181 58 V HA 0.650 4.770 4.120 0.000 0.000 0.308 58 V C -0.496 175.537 176.094 -0.102 0.000 1.214 58 V CA -1.356 60.884 62.300 -0.099 0.000 1.053 58 V CB 2.352 34.090 31.823 -0.142 0.000 1.069 58 V HN 1.077 nan 8.190 nan 0.000 0.441 59 R N 2.777 123.205 120.500 -0.120 0.000 2.442 59 R HA 0.479 4.819 4.340 0.000 0.000 0.291 59 R C -0.778 175.425 176.300 -0.161 0.000 1.069 59 R CA -0.136 55.878 56.100 -0.143 0.000 1.022 59 R CB 0.539 30.731 30.300 -0.181 0.000 0.976 59 R HN 0.726 nan 8.270 nan 0.000 0.443 60 M N 5.317 124.829 119.600 -0.146 0.000 2.165 60 M HA 0.262 4.742 4.480 0.000 0.000 0.283 60 M C 0.139 176.357 176.300 -0.138 0.000 0.978 60 M CA 0.356 55.575 55.300 -0.135 0.000 0.948 60 M CB 1.652 34.200 32.600 -0.086 0.000 1.599 60 M HN 0.917 nan 8.290 nan 0.000 0.450 61 G N 4.355 113.052 108.800 -0.171 0.000 2.611 61 G HA2 -0.360 3.600 3.960 0.000 0.000 0.301 61 G HA3 -0.360 3.600 3.960 0.000 0.000 0.301 61 G C -0.270 174.519 174.900 -0.185 0.000 1.233 61 G CA 0.834 45.855 45.100 -0.132 0.000 0.993 61 G HN 1.014 nan 8.290 nan 0.000 0.553 62 D N 0.768 121.144 120.400 -0.040 0.000 2.525 62 D HA 0.526 5.166 4.640 0.000 0.000 0.229 62 D C 0.857 177.157 176.300 0.000 0.000 1.202 62 D CA 1.013 55.022 54.000 0.015 0.000 0.828 62 D CB 0.257 41.145 40.800 0.146 0.000 1.008 62 D HN 0.841 nan 8.370 nan 0.000 0.493 63 G N -0.471 108.310 108.800 -0.031 0.000 3.252 63 G HA2 0.751 4.711 3.960 0.000 0.000 0.181 63 G HA3 0.751 4.711 3.960 0.000 0.000 0.181 63 G C -1.053 173.832 174.900 -0.026 0.000 1.187 63 G CA -0.862 44.237 45.100 -0.002 0.000 0.886 63 G HN 0.138 nan 8.290 nan 0.000 0.615 64 L N -0.782 120.441 121.223 0.001 0.000 2.303 64 L HA 0.794 5.134 4.340 0.000 0.000 0.256 64 L C -0.474 176.401 176.870 0.008 0.000 1.034 64 L CA -1.216 53.617 54.840 -0.011 0.000 0.832 64 L CB 2.388 44.452 42.059 0.008 0.000 1.403 64 L HN 0.689 nan 8.230 nan 0.000 0.419 65 A N 0.758 123.572 122.820 -0.011 0.000 2.398 65 A HA 0.761 5.081 4.320 0.000 0.000 0.301 65 A C -1.085 176.509 177.584 0.017 0.000 1.041 65 A CA -0.412 51.626 52.037 0.002 0.000 0.711 65 A CB 1.968 20.924 19.000 -0.075 0.000 1.240 65 A HN 0.468 nan 8.150 nan 0.000 0.420 66 S N 0.773 116.555 115.700 0.137 0.000 2.547 66 S HA 0.562 5.032 4.470 0.000 0.000 0.281 66 S C -0.587 174.270 174.600 0.428 0.000 1.118 66 S CA -0.328 57.990 58.200 0.197 0.000 0.947 66 S CB 0.631 63.938 63.200 0.178 0.000 1.053 66 S HN 0.697 nan 8.310 nan 0.000 0.482 67 W N 2.919 124.335 121.300 0.193 0.000 2.942 67 W HA 0.248 4.908 4.660 0.000 0.000 0.263 67 W C 0.991 177.649 176.519 0.232 0.000 1.296 67 W CA -0.191 57.279 57.345 0.209 0.000 1.504 67 W CB -0.630 28.914 29.460 0.140 0.000 1.096 67 W HN 0.718 nan 8.180 nan 0.000 0.639 68 S N 0.209 116.129 115.700 0.367 0.000 2.578 68 S HA 0.513 4.983 4.470 0.000 0.000 0.283 68 S C -2.539 172.075 174.600 0.023 0.000 1.195 68 S CA -1.757 56.556 58.200 0.189 0.000 1.050 68 S CB 1.724 64.990 63.200 0.110 0.000 1.012 68 S HN -0.277 nan 8.310 nan 0.000 0.511 69 P HA 0.077 nan 4.420 nan 0.000 0.264 69 P C -1.904 175.108 177.300 -0.480 0.000 1.173 69 P CA -0.751 62.160 63.100 -0.315 0.000 0.761 69 P CB -0.180 31.444 31.700 -0.125 0.000 0.794 70 P HA -0.186 nan 4.420 nan 0.000 0.216 70 P C 0.619 177.747 177.300 -0.288 0.000 1.153 70 P CA 1.516 64.276 63.100 -0.566 0.000 0.858 70 P CB -0.099 31.192 31.700 -0.682 0.000 0.789 71 E N -1.313 118.741 120.200 -0.242 0.000 2.526 71 E HA -0.019 4.331 4.350 0.000 0.000 0.198 71 E C 1.215 177.755 176.600 -0.100 0.000 1.091 71 E CA 0.351 56.667 56.400 -0.141 0.000 0.880 71 E CB -0.710 28.923 29.700 -0.111 0.000 0.873 71 E HN 0.141 nan 8.360 nan 0.000 0.527 72 V N -0.077 119.775 119.914 -0.105 0.000 3.645 72 V HA 0.133 4.253 4.120 0.000 0.000 0.275 72 V C 0.530 176.600 176.094 -0.040 0.000 1.356 72 V CA 0.075 62.339 62.300 -0.059 0.000 1.051 72 V CB 0.087 31.882 31.823 -0.047 0.000 0.828 72 V HN 0.198 nan 8.190 nan 0.000 0.441 73 L N 0.456 121.647 121.223 -0.053 0.000 2.375 73 L HA 0.382 4.722 4.340 0.000 0.000 0.271 73 L C -0.140 176.732 176.870 0.004 0.000 1.107 73 L CA -0.480 54.350 54.840 -0.016 0.000 0.806 73 L CB 1.410 43.457 42.059 -0.020 0.000 1.146 73 L HN -0.108 nan 8.230 nan 0.000 0.447 74 V N 4.694 124.636 119.914 0.048 0.000 2.352 74 V HA 0.033 4.153 4.120 0.000 0.000 0.253 74 V C 1.287 177.453 176.094 0.120 0.000 1.083 74 V CA -0.092 62.250 62.300 0.070 0.000 0.993 74 V CB 0.444 32.335 31.823 0.113 0.000 1.111 74 V HN 0.636 nan 8.190 nan 0.000 0.490 75 L N 3.020 124.257 121.223 0.023 0.000 2.622 75 L HA 0.118 4.458 4.340 0.000 0.000 0.233 75 L C 0.514 177.288 176.870 -0.160 0.000 1.156 75 L CA 0.818 55.652 54.840 -0.011 0.000 0.866 75 L CB -0.290 41.716 42.059 -0.088 0.000 0.980 75 L HN 0.627 nan 8.230 nan 0.000 0.448 76 E N -1.396 118.629 120.200 -0.291 0.000 2.413 76 E HA 0.769 5.119 4.350 0.000 0.000 0.277 76 E C -0.222 175.957 176.600 -0.702 0.000 0.958 76 E CA -0.176 55.854 56.400 -0.616 0.000 0.779 76 E CB 2.194 31.695 29.700 -0.333 0.000 1.278 76 E HN 0.007 nan 8.360 nan 0.000 0.456 77 G N -0.169 108.144 108.800 -0.812 0.000 2.350 77 G HA2 0.410 4.370 3.960 0.000 0.000 0.276 77 G HA3 0.410 4.370 3.960 0.000 0.000 0.276 77 G C -1.149 173.697 174.900 -0.089 0.000 1.313 77 G CA -0.152 44.765 45.100 -0.305 0.000 0.903 77 G HN 0.874 nan 8.290 nan 0.000 0.490 78 T N -1.640 113.026 114.554 0.187 0.000 2.883 78 T HA 0.843 5.193 4.350 0.000 0.000 0.296 78 T C -0.717 174.149 174.700 0.277 0.000 1.117 78 T CA -0.457 61.791 62.100 0.248 0.000 1.006 78 T CB 1.980 70.923 68.868 0.125 0.000 1.191 78 T HN 2.059 nan 8.240 nan 0.000 0.508 79 L N -0.813 120.559 121.223 0.248 0.000 2.445 79 L HA 0.963 5.303 4.340 0.000 0.000 0.262 79 L C -0.917 176.067 176.870 0.191 0.000 0.974 79 L CA -1.432 53.514 54.840 0.177 0.000 0.822 79 L CB 0.848 42.975 42.059 0.113 0.000 1.339 79 L HN 1.128 nan 8.230 nan 0.000 0.409 80 A N 2.867 125.771 122.820 0.141 0.000 2.317 80 A HA 0.878 5.198 4.320 0.000 0.000 0.327 80 A C -0.318 177.354 177.584 0.147 0.000 1.178 80 A CA -0.652 51.468 52.037 0.138 0.000 0.817 80 A CB 1.127 20.177 19.000 0.084 0.000 1.189 80 A HN 0.865 nan 8.150 nan 0.000 0.489 81 R N 2.714 123.326 120.500 0.188 0.000 2.515 81 R HA 0.472 4.812 4.340 0.000 0.000 0.291 81 R C -0.538 175.857 176.300 0.158 0.000 1.046 81 R CA -0.596 55.601 56.100 0.161 0.000 0.914 81 R CB 0.641 31.036 30.300 0.158 0.000 1.191 81 R HN 0.734 nan 8.270 nan 0.000 0.435 82 M N 3.296 122.970 119.600 0.123 0.000 2.302 82 M HA -0.213 4.267 4.480 0.000 0.000 0.200 82 M C 0.738 177.101 176.300 0.106 0.000 0.366 82 M CA 1.631 56.999 55.300 0.113 0.000 0.440 82 M CB -2.184 30.480 32.600 0.106 0.000 1.475 82 M HN 1.179 nan 8.290 nan 0.000 0.905 83 G N -1.287 107.575 108.800 0.103 0.000 2.234 83 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 83 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 83 G C 0.145 175.072 174.900 0.045 0.000 0.987 83 G CA 0.663 45.810 45.100 0.079 0.000 0.625 83 G HN 0.518 nan 8.290 nan 0.000 0.532 84 Q N 0.473 120.304 119.800 0.053 0.000 2.214 84 Q HA 0.664 5.004 4.340 0.000 0.000 0.251 84 Q C 0.145 176.109 176.000 -0.060 0.000 0.936 84 Q CA 0.334 56.113 55.803 -0.041 0.000 0.894 84 Q CB 1.664 30.368 28.738 -0.056 0.000 1.252 84 Q HN 0.422 nan 8.270 nan 0.000 0.448 85 T N 0.907 115.331 114.554 -0.217 0.000 2.824 85 T HA 0.679 5.029 4.350 0.000 0.000 0.282 85 T C -1.408 173.122 174.700 -0.284 0.000 0.993 85 T CA -0.379 61.652 62.100 -0.115 0.000 0.967 85 T CB 0.341 69.189 68.868 -0.034 0.000 0.960 85 T HN 0.323 nan 8.240 nan 0.000 0.441 86 Y N 1.769 122.111 120.300 0.071 0.000 2.485 86 Y HA 0.711 5.261 4.550 0.000 0.000 0.345 86 Y C 0.427 176.399 175.900 0.119 0.000 0.998 86 Y CA -1.203 56.948 58.100 0.085 0.000 1.059 86 Y CB 2.023 40.536 38.460 0.089 0.000 1.234 86 Y HN 0.916 nan 8.280 nan 0.000 0.461 87 A N 2.725 125.693 122.820 0.247 0.000 2.290 87 A HA 0.677 4.997 4.320 0.000 0.000 0.310 87 A C -1.384 176.340 177.584 0.234 0.000 1.202 87 A CA -0.507 51.635 52.037 0.174 0.000 0.837 87 A CB -0.098 18.946 19.000 0.074 0.000 1.139 87 A HN 0.721 nan 8.150 nan 0.000 0.509 88 Y N 0.409 120.764 120.300 0.091 0.000 2.598 88 Y HA 0.873 5.423 4.550 0.000 0.000 0.340 88 Y C -0.364 175.575 175.900 0.065 0.000 1.038 88 Y CA -1.488 56.663 58.100 0.085 0.000 1.100 88 Y CB 1.418 39.919 38.460 0.069 0.000 1.281 88 Y HN 0.746 nan 8.280 nan 0.000 0.488 89 R N 2.796 123.388 120.500 0.155 0.000 2.515 89 R HA 0.555 4.895 4.340 0.000 0.000 0.278 89 R C -2.268 174.144 176.300 0.187 0.000 1.107 89 R CA -0.519 55.584 56.100 0.005 0.000 0.945 89 R CB 1.340 31.642 30.300 0.004 0.000 1.219 89 R HN 0.945 nan 8.270 nan 0.000 0.434 90 L N 3.952 125.216 121.223 0.068 0.000 2.343 90 L HA 0.542 4.882 4.340 0.000 0.000 0.275 90 L C -0.989 175.853 176.870 -0.047 0.000 1.056 90 L CA -0.978 53.949 54.840 0.146 0.000 0.804 90 L CB 1.227 43.369 42.059 0.139 0.000 1.203 90 L HN 0.618 nan 8.230 nan 0.000 0.440 91 Y N 1.408 121.743 120.300 0.059 0.000 2.327 91 Y HA 0.372 4.922 4.550 0.000 0.000 0.325 91 Y C -2.308 173.626 175.900 0.056 0.000 0.999 91 Y CA -2.471 55.657 58.100 0.047 0.000 1.195 91 Y CB 1.449 39.935 38.460 0.043 0.000 1.132 91 Y HN 0.359 nan 8.280 nan 0.000 0.455 92 P HA 0.176 nan 4.420 nan 0.000 0.271 92 P C 0.013 177.417 177.300 0.173 0.000 1.218 92 P CA -0.186 63.004 63.100 0.149 0.000 0.780 92 P CB 0.831 32.583 31.700 0.086 0.000 0.901 93 K N 1.334 121.846 120.400 0.186 0.000 2.625 93 K HA 0.324 4.644 4.320 0.000 0.000 0.190 93 K C 0.309 177.004 176.600 0.158 0.000 1.174 93 K CA -0.056 56.322 56.287 0.152 0.000 1.103 93 K CB 0.577 33.146 32.500 0.116 0.000 0.900 93 K HN 0.852 nan 8.250 nan 0.000 0.540 94 G N 2.376 111.325 108.800 0.248 0.000 2.731 94 G HA2 -0.278 3.682 3.960 0.000 0.000 0.686 94 G HA3 -0.278 3.682 3.960 0.000 0.000 0.686 94 G C -0.556 174.385 174.900 0.069 0.000 1.395 94 G CA -0.735 44.491 45.100 0.210 0.000 0.870 94 G HN 0.294 nan 8.290 nan 0.000 0.591 95 R N 0.017 120.411 120.500 -0.178 0.000 2.644 95 R HA 0.192 4.532 4.340 0.000 0.000 0.265 95 R C 0.913 177.146 176.300 -0.112 0.000 0.985 95 R CA 0.950 56.882 56.100 -0.281 0.000 1.097 95 R CB 0.328 30.343 30.300 -0.475 0.000 0.931 95 R HN 0.745 nan 8.270 nan 0.000 0.419 96 R N 3.258 123.711 120.500 -0.079 0.000 2.574 96 R HA 0.374 4.714 4.340 0.000 0.000 0.288 96 R C -2.715 173.564 176.300 -0.036 0.000 1.004 96 R CA -1.871 54.206 56.100 -0.038 0.000 0.895 96 R CB 2.075 32.370 30.300 -0.008 0.000 1.191 96 R HN 0.368 nan 8.270 nan 0.000 0.444 97 P HA 0.271 nan 4.420 nan 0.000 0.282 97 P C -1.314 175.980 177.300 -0.009 0.000 1.249 97 P CA -0.508 62.581 63.100 -0.019 0.000 0.806 97 P CB 1.433 33.120 31.700 -0.022 0.000 0.984 98 L N 2.483 123.706 121.223 0.001 0.000 2.401 98 L HA 0.440 4.780 4.340 0.000 0.000 0.266 98 L C -0.096 176.775 176.870 0.002 0.000 0.991 98 L CA -0.213 54.626 54.840 -0.002 0.000 0.818 98 L CB 1.518 43.573 42.059 -0.007 0.000 1.321 98 L HN 0.208 nan 8.230 nan 0.000 0.413 99 D N 3.331 123.729 120.400 -0.003 0.000 2.232 99 D HA 0.373 5.013 4.640 0.000 0.000 0.242 99 D C -1.858 174.442 176.300 0.001 0.000 1.093 99 D CA -1.198 52.802 54.000 -0.000 0.000 0.845 99 D CB 1.586 42.385 40.800 -0.002 0.000 1.124 99 D HN 0.258 nan 8.370 nan 0.000 0.467 100 P HA 0.045 nan 4.420 nan 0.000 0.259 100 P C 0.240 177.547 177.300 0.011 0.000 1.307 100 P CA 0.680 63.784 63.100 0.006 0.000 0.768 100 P CB 0.010 31.712 31.700 0.004 0.000 1.199 101 K N -1.109 119.295 120.400 0.007 0.000 2.483 101 K HA 0.124 4.444 4.320 0.000 0.000 0.206 101 K C 0.326 176.929 176.600 0.006 0.000 1.086 101 K CA 0.054 56.347 56.287 0.010 0.000 1.052 101 K CB -0.180 32.326 32.500 0.009 0.000 0.904 101 K HN -0.003 nan 8.250 nan 0.000 0.557 102 D N 1.357 121.758 120.400 0.001 0.000 2.551 102 D HA 0.153 4.793 4.640 0.000 0.000 0.294 102 D C -1.585 174.710 176.300 -0.009 0.000 1.201 102 D CA -1.822 52.175 54.000 -0.005 0.000 0.941 102 D CB 1.272 42.068 40.800 -0.006 0.000 0.995 102 D HN 0.056 nan 8.370 nan 0.000 0.502 103 P HA -0.341 nan 4.420 nan 0.000 0.235 103 P C 1.368 178.653 177.300 -0.025 0.000 1.024 103 P CA 2.440 65.530 63.100 -0.016 0.000 1.059 103 P CB -0.413 31.276 31.700 -0.019 0.000 0.714 104 G N 0.283 109.069 108.800 -0.024 0.000 2.545 104 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 104 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 104 G C 1.544 176.420 174.900 -0.039 0.000 1.218 104 G CA 1.413 46.494 45.100 -0.031 0.000 0.787 104 G HN 0.446 nan 8.290 nan 0.000 0.571 105 E N 0.134 120.315 120.200 -0.032 0.000 2.204 105 E HA -0.149 4.201 4.350 0.000 0.000 0.195 105 E C 2.434 179.010 176.600 -0.040 0.000 0.990 105 E CA 0.889 57.267 56.400 -0.036 0.000 0.821 105 E CB -0.078 29.608 29.700 -0.023 0.000 0.750 105 E HN 0.559 nan 8.360 nan 0.000 0.477 106 R N 0.672 121.154 120.500 -0.029 0.000 2.297 106 R HA 0.082 4.422 4.340 0.000 0.000 0.197 106 R C 1.777 178.056 176.300 -0.036 0.000 0.943 106 R CA 0.454 56.540 56.100 -0.024 0.000 1.038 106 R CB 0.196 30.496 30.300 0.001 0.000 0.957 106 R HN -0.120 nan 8.270 nan 0.000 0.484 107 S N -0.013 115.656 115.700 -0.052 0.000 2.402 107 S HA -0.063 4.407 4.470 0.000 0.000 0.229 107 S C 1.708 176.253 174.600 -0.092 0.000 1.021 107 S CA 1.189 59.348 58.200 -0.067 0.000 0.974 107 S CB 0.099 63.256 63.200 -0.072 0.000 0.800 107 S HN 0.163 nan 8.310 nan 0.000 0.484 108 V N 2.082 121.933 119.914 -0.106 0.000 2.323 108 V HA -0.099 4.021 4.120 0.000 0.000 0.244 108 V C 2.161 178.124 176.094 -0.217 0.000 1.041 108 V CA 1.373 63.582 62.300 -0.152 0.000 1.025 108 V CB -0.692 31.047 31.823 -0.139 0.000 0.656 108 V HN 0.412 nan 8.190 nan 0.000 0.451 109 L N -0.128 120.989 121.223 -0.177 0.000 2.042 109 L HA -0.175 4.165 4.340 0.000 0.000 0.210 109 L C 2.611 179.357 176.870 -0.207 0.000 1.076 109 L CA 1.711 56.420 54.840 -0.219 0.000 0.749 109 L CB -0.617 41.401 42.059 -0.069 0.000 0.893 109 L HN 0.305 nan 8.230 nan 0.000 0.432 110 S N -0.320 115.331 115.700 -0.082 0.000 2.383 110 S HA -0.100 4.370 4.470 0.000 0.000 0.227 110 S C 2.190 176.771 174.600 -0.032 0.000 1.026 110 S CA 1.023 59.235 58.200 0.020 0.000 0.981 110 S CB -0.189 63.068 63.200 0.095 0.000 0.818 110 S HN 0.489 nan 8.310 nan 0.000 0.472 111 A N 1.656 124.411 122.820 -0.109 0.000 1.877 111 A HA -0.034 4.286 4.320 0.000 0.000 0.216 111 A C 2.107 179.587 177.584 -0.173 0.000 1.186 111 A CA 1.174 53.141 52.037 -0.116 0.000 0.620 111 A CB -0.791 18.127 19.000 -0.137 0.000 0.822 111 A HN 0.433 nan 8.150 nan 0.000 0.443 112 L N -0.757 120.244 121.223 -0.370 0.000 1.970 112 L HA -0.249 4.091 4.340 0.000 0.000 0.212 112 L C 3.172 179.811 176.870 -0.385 0.000 1.071 112 L CA 1.288 55.735 54.840 -0.655 0.000 0.751 112 L CB -0.696 40.419 42.059 -1.574 0.000 0.889 112 L HN 0.451 nan 8.230 nan 0.000 0.432 113 A N 0.057 122.721 122.820 -0.260 0.000 1.903 113 A HA -0.323 3.997 4.320 0.000 0.000 0.219 113 A C 2.391 180.144 177.584 0.282 0.000 1.191 113 A CA 2.412 54.645 52.037 0.327 0.000 0.638 113 A CB -0.723 18.432 19.000 0.258 0.000 0.823 113 A HN 0.406 nan 8.150 nan 0.000 0.451 114 R N -1.212 119.376 120.500 0.146 0.000 2.115 114 R HA -0.119 4.221 4.340 0.000 0.000 0.230 114 R C 2.339 178.702 176.300 0.104 0.000 1.111 114 R CA 1.526 57.708 56.100 0.137 0.000 0.976 114 R CB -0.160 30.199 30.300 0.098 0.000 0.870 114 R HN 0.404 nan 8.270 nan 0.000 0.445 115 R N 0.541 121.082 120.500 0.067 0.000 2.073 115 R HA -0.077 4.263 4.340 0.000 0.000 0.229 115 R C 1.998 178.365 176.300 0.112 0.000 1.120 115 R CA 1.228 57.365 56.100 0.062 0.000 0.967 115 R CB -0.874 29.437 30.300 0.019 0.000 0.862 115 R HN 0.279 nan 8.270 nan 0.000 0.436 116 L N 0.454 121.791 121.223 0.190 0.000 1.971 116 L HA -0.142 4.198 4.340 0.000 0.000 0.215 116 L C 2.028 178.983 176.870 0.142 0.000 1.072 116 L CA 1.953 56.933 54.840 0.233 0.000 0.758 116 L CB -1.194 41.120 42.059 0.425 0.000 0.889 116 L HN 0.372 nan 8.230 nan 0.000 0.433 117 L N -0.224 121.087 121.223 0.147 0.000 2.010 117 L HA -0.332 4.008 4.340 0.000 0.000 0.219 117 L C 2.557 179.460 176.870 0.056 0.000 1.077 117 L CA 2.222 57.114 54.840 0.088 0.000 0.773 117 L CB -0.827 41.296 42.059 0.106 0.000 0.892 117 L HN 0.524 nan 8.230 nan 0.000 0.436 118 Q N -0.879 118.961 119.800 0.066 0.000 2.096 118 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 118 Q C 2.262 178.281 176.000 0.032 0.000 0.982 118 Q CA 2.204 58.036 55.803 0.047 0.000 0.850 118 Q CB -0.427 28.343 28.738 0.053 0.000 0.901 118 Q HN 0.811 nan 8.270 nan 0.000 0.422 119 E N 1.544 121.770 120.200 0.044 0.000 2.077 119 E HA -0.193 4.157 4.350 0.000 0.000 0.193 119 E C 1.792 178.395 176.600 0.005 0.000 0.989 119 E CA 1.264 57.682 56.400 0.031 0.000 0.800 119 E CB -0.489 29.244 29.700 0.055 0.000 0.746 119 E HN 0.267 nan 8.360 nan 0.000 0.452 120 R N -1.020 119.481 120.500 0.003 0.000 2.115 120 R HA 0.069 4.409 4.340 0.000 0.000 0.226 120 R C 2.329 178.600 176.300 -0.049 0.000 1.100 120 R CA 0.935 57.015 56.100 -0.032 0.000 0.980 120 R CB -0.313 29.959 30.300 -0.046 0.000 0.875 120 R HN 0.336 nan 8.270 nan 0.000 0.445 121 L N 1.322 122.526 121.223 -0.033 0.000 2.275 121 L HA -0.122 4.218 4.340 0.000 0.000 0.215 121 L C 2.591 179.418 176.870 -0.072 0.000 1.119 121 L CA 1.403 56.217 54.840 -0.042 0.000 0.790 121 L CB -0.597 41.454 42.059 -0.012 0.000 0.919 121 L HN 0.138 nan 8.230 nan 0.000 0.443 122 R N 0.022 120.480 120.500 -0.070 0.000 2.062 122 R HA -0.183 4.157 4.340 0.000 0.000 0.231 122 R C 2.420 178.644 176.300 -0.128 0.000 1.136 122 R CA 1.860 57.895 56.100 -0.109 0.000 0.948 122 R CB -0.469 29.791 30.300 -0.067 0.000 0.845 122 R HN 0.187 nan 8.270 nan 0.000 0.430 123 R N 0.968 121.413 120.500 -0.091 0.000 2.117 123 R HA 0.011 4.351 4.340 0.000 0.000 0.243 123 R C 1.740 177.982 176.300 -0.097 0.000 1.143 123 R CA 1.917 57.965 56.100 -0.087 0.000 0.968 123 R CB -2.100 28.157 30.300 -0.072 0.000 0.863 123 R HN 0.421 nan 8.270 nan 0.000 0.444 124 L N 1.443 122.605 121.223 -0.100 0.000 2.578 124 L HA 0.459 4.800 4.340 0.000 0.000 0.279 124 L C 0.477 177.293 176.870 -0.091 0.000 1.227 124 L CA 0.474 55.262 54.840 -0.086 0.000 0.900 124 L CB -0.475 41.543 42.059 -0.068 0.000 1.144 124 L HN 0.744 nan 8.230 nan 0.000 0.496 125 E N 1.512 121.681 120.200 -0.053 0.000 2.316 125 E HA 0.674 5.024 4.350 0.000 0.000 0.258 125 E C 1.061 177.662 176.600 0.003 0.000 0.952 125 E CA -0.249 56.117 56.400 -0.056 0.000 0.818 125 E CB 1.744 31.417 29.700 -0.045 0.000 1.260 125 E HN 1.675 nan 8.360 nan 0.000 0.416 126 G N -0.195 108.606 108.800 0.001 0.000 2.155 126 G HA2 -0.221 3.739 3.960 0.000 0.000 0.257 126 G HA3 -0.221 3.739 3.960 0.000 0.000 0.257 126 G C -0.397 174.543 174.900 0.068 0.000 0.983 126 G CA 0.456 45.583 45.100 0.044 0.000 0.676 126 G HN 0.355 nan 8.290 nan 0.000 0.528 127 V N -1.210 118.729 119.914 0.042 0.000 2.969 127 V HA 0.676 4.796 4.120 0.000 0.000 0.304 127 V C -0.955 175.156 176.094 0.029 0.000 1.192 127 V CA -1.133 61.224 62.300 0.096 0.000 0.962 127 V CB 2.103 34.002 31.823 0.127 0.000 1.045 127 V HN 0.320 nan 8.190 nan 0.000 0.428 128 W N 3.259 124.641 121.300 0.136 0.000 2.469 128 W HA 0.735 5.395 4.660 0.000 0.000 0.320 128 W C -0.636 176.006 176.519 0.205 0.000 1.086 128 W CA -0.382 57.044 57.345 0.135 0.000 1.211 128 W CB 1.919 31.436 29.460 0.095 0.000 1.298 128 W HN 0.369 nan 8.180 nan 0.000 0.525 129 V N 4.219 124.374 119.914 0.402 0.000 2.407 129 V HA 0.213 4.333 4.120 0.000 0.000 0.291 129 V C -0.438 175.979 176.094 0.538 0.000 1.018 129 V CA -1.101 61.421 62.300 0.369 0.000 0.842 129 V CB 1.337 33.207 31.823 0.078 0.000 0.996 129 V HN 0.530 nan 8.190 nan 0.000 0.426 130 E N 4.337 124.817 120.200 0.467 0.000 2.103 130 E HA 0.641 4.991 4.350 0.000 0.000 0.254 130 E C 0.837 177.567 176.600 0.216 0.000 0.940 130 E CA 0.069 56.674 56.400 0.342 0.000 0.771 130 E CB 1.001 30.857 29.700 0.260 0.000 1.153 130 E HN 0.924 nan 8.360 nan 0.000 0.428 131 G N 3.547 112.454 108.800 0.178 0.000 4.163 131 G HA2 -0.362 3.598 3.960 0.000 0.000 0.300 131 G HA3 -0.362 3.598 3.960 0.000 0.000 0.300 131 G C 0.514 175.469 174.900 0.091 0.000 1.488 131 G CA 0.264 45.432 45.100 0.113 0.000 1.052 131 G HN 0.497 nan 8.290 nan 0.000 0.687 132 L N 1.474 122.743 121.223 0.076 0.000 3.086 132 L HA 0.619 4.959 4.340 0.000 0.000 0.274 132 L C 1.357 178.237 176.870 0.017 0.000 1.184 132 L CA 0.503 55.374 54.840 0.051 0.000 1.002 132 L CB 0.818 42.908 42.059 0.052 0.000 1.383 132 L HN 0.688 nan 8.230 nan 0.000 0.582 133 A N 1.264 124.097 122.820 0.022 0.000 2.279 133 A HA 0.570 4.890 4.320 0.000 0.000 0.306 133 A C -0.083 177.369 177.584 -0.219 0.000 1.300 133 A CA -0.165 51.801 52.037 -0.117 0.000 0.925 133 A CB 0.199 19.198 19.000 -0.002 0.000 1.152 133 A HN -0.030 nan 8.150 nan 0.000 0.544 134 V N 2.330 122.040 119.914 -0.341 0.000 2.997 134 V HA 0.462 4.582 4.120 0.000 0.000 0.311 134 V C -0.776 174.973 176.094 -0.576 0.000 1.066 134 V CA -0.248 61.921 62.300 -0.219 0.000 1.039 134 V CB 1.121 32.913 31.823 -0.052 0.000 1.081 134 V HN 0.738 nan 8.190 nan 0.000 0.467 135 Y N 1.597 121.963 120.300 0.111 0.000 2.330 135 Y HA 0.544 5.094 4.550 0.000 0.000 0.324 135 Y C 0.349 176.291 175.900 0.069 0.000 1.093 135 Y CA -0.714 57.441 58.100 0.093 0.000 1.103 135 Y CB 1.712 40.243 38.460 0.119 0.000 1.183 135 Y HN 0.556 nan 8.280 nan 0.000 0.433 136 R N 1.904 122.474 120.500 0.118 0.000 1.909 136 R HA 0.302 4.642 4.340 0.000 0.000 0.181 136 R C 0.275 176.583 176.300 0.013 0.000 1.604 136 R CA 0.281 56.380 56.100 -0.000 0.000 1.298 136 R CB 0.009 30.188 30.300 -0.201 0.000 0.937 136 R HN 0.644 nan 8.270 nan 0.000 0.490 137 R N 0.865 121.343 120.500 -0.035 0.000 2.491 137 R HA 0.182 4.522 4.340 0.000 0.000 0.283 137 R C -1.061 175.249 176.300 0.016 0.000 1.072 137 R CA 0.599 56.672 56.100 -0.045 0.000 1.048 137 R CB 0.427 30.655 30.300 -0.120 0.000 0.983 137 R HN 0.516 nan 8.270 nan 0.000 0.450 138 E N 2.454 122.658 120.200 0.006 0.000 2.194 138 E HA 0.063 4.413 4.350 0.000 0.000 0.284 138 E C -0.107 176.510 176.600 0.027 0.000 1.035 138 E CA -0.225 56.204 56.400 0.049 0.000 0.836 138 E CB 0.715 30.438 29.700 0.039 0.000 1.070 138 E HN 0.904 nan 8.360 nan 0.000 0.401 139 H N 0.626 119.738 119.070 0.071 0.000 2.512 139 H HA 0.456 5.012 4.556 0.000 0.000 0.279 139 H C 0.813 176.193 175.328 0.086 0.000 0.999 139 H CA 1.470 57.564 56.048 0.076 0.000 1.283 139 H CB 0.738 30.557 29.762 0.095 0.000 1.421 139 H HN 0.806 nan 8.280 nan 0.000 0.554 140 A N -0.569 122.378 122.820 0.211 0.000 2.594 140 A HA 0.758 5.078 4.320 0.000 0.000 0.307 140 A C -1.264 176.390 177.584 0.116 0.000 1.203 140 A CA -0.777 51.375 52.037 0.192 0.000 0.644 140 A CB 1.545 20.719 19.000 0.290 0.000 1.349 140 A HN 0.167 nan 8.150 nan 0.000 0.510 141 R N -1.434 119.113 120.500 0.079 0.000 2.979 141 R HA 0.493 4.833 4.340 0.000 0.000 0.245 141 R C -0.647 175.474 176.300 -0.297 0.000 1.104 141 R CA 0.285 56.332 56.100 -0.089 0.000 1.056 141 R CB 1.910 32.174 30.300 -0.058 0.000 1.265 141 R HN 1.796 nan 8.270 nan 0.000 0.470 142 G N 1.820 110.188 108.800 -0.719 0.000 2.606 142 G HA2 0.474 4.434 3.960 0.000 0.000 0.300 142 G HA3 0.474 4.434 3.960 0.000 0.000 0.300 142 G C -2.842 171.404 174.900 -1.091 0.000 1.360 142 G CA -0.723 43.624 45.100 -1.254 0.000 0.783 142 G HN 0.329 nan 8.290 nan 0.000 0.484 143 P HA 0.285 nan 4.420 nan 0.000 0.244 143 P C 0.848 177.935 177.300 -0.355 0.000 1.769 143 P CA 1.077 63.862 63.100 -0.525 0.000 1.102 143 P CB 0.271 31.773 31.700 -0.329 0.000 1.937 144 G N 2.274 110.960 108.800 -0.190 0.000 2.541 144 G HA2 -0.156 3.804 3.960 0.000 0.000 0.201 144 G HA3 -0.156 3.804 3.960 0.000 0.000 0.201 144 G C -0.553 174.532 174.900 0.309 0.000 1.026 144 G CA -0.258 45.005 45.100 0.271 0.000 0.687 144 G HN 0.508 nan 8.290 nan 0.000 0.492 145 W N 0.839 122.290 121.300 0.253 0.000 2.469 145 W HA 0.870 5.530 4.660 0.000 0.000 0.320 145 W C 0.231 176.793 176.519 0.071 0.000 1.086 145 W CA -1.327 56.095 57.345 0.129 0.000 1.211 145 W CB 0.957 30.512 29.460 0.159 0.000 1.298 145 W HN 0.353 nan 8.180 nan 0.000 0.525 146 R N 3.886 124.501 120.500 0.191 0.000 2.837 146 R HA 0.283 4.623 4.340 0.000 0.000 0.245 146 R C -1.618 174.749 176.300 0.112 0.000 1.712 146 R CA -0.480 55.677 56.100 0.094 0.000 1.539 146 R CB 0.554 30.853 30.300 -0.001 0.000 1.490 146 R HN 0.545 nan 8.270 nan 0.000 0.667 147 V N 3.282 123.311 119.914 0.192 0.000 2.486 147 V HA 0.044 4.164 4.120 0.000 0.000 0.290 147 V C 1.182 177.369 176.094 0.153 0.000 0.991 147 V CA 0.994 63.386 62.300 0.153 0.000 1.142 147 V CB -0.128 31.802 31.823 0.179 0.000 0.926 147 V HN 0.491 nan 8.190 nan 0.000 0.472 148 L N 4.497 125.765 121.223 0.075 0.000 2.387 148 L HA 1.047 5.387 4.340 0.000 0.000 0.266 148 L C 0.808 177.836 176.870 0.263 0.000 1.059 148 L CA -0.159 54.747 54.840 0.110 0.000 0.801 148 L CB 1.107 43.145 42.059 -0.034 0.000 1.223 148 L HN 0.836 nan 8.230 nan 0.000 0.456 149 G N -0.784 108.226 108.800 0.349 0.000 2.461 149 G HA2 0.834 4.794 3.960 0.000 0.000 0.323 149 G HA3 0.834 4.794 3.960 0.000 0.000 0.323 149 G C 0.036 175.158 174.900 0.370 0.000 1.229 149 G CA 0.154 45.503 45.100 0.414 0.000 0.941 149 G HN 1.781 nan 8.290 nan 0.000 0.477 150 G N -0.559 108.398 108.800 0.262 0.000 2.510 150 G HA2 0.819 4.779 3.960 0.000 0.000 0.277 150 G HA3 0.819 4.779 3.960 0.000 0.000 0.277 150 G C -1.368 173.454 174.900 -0.130 0.000 1.223 150 G CA 0.363 45.438 45.100 -0.041 0.000 0.887 150 G HN 1.791 nan 8.290 nan 0.000 0.485 151 A N -1.090 121.563 122.820 -0.278 0.000 2.594 151 A HA 0.768 5.088 4.320 0.000 0.000 0.295 151 A C -0.530 176.930 177.584 -0.206 0.000 1.071 151 A CA 0.046 51.981 52.037 -0.170 0.000 0.685 151 A CB 1.325 20.291 19.000 -0.058 0.000 1.285 151 A HN 2.125 nan 8.150 nan 0.000 0.405 152 V N 0.464 120.306 119.914 -0.120 0.000 2.461 152 V HA 0.707 4.827 4.120 0.000 0.000 0.275 152 V C -0.016 176.073 176.094 -0.008 0.000 1.047 152 V CA -0.321 61.935 62.300 -0.073 0.000 0.955 152 V CB -0.077 31.722 31.823 -0.041 0.000 0.988 152 V HN 0.702 nan 8.190 nan 0.000 0.471 153 L N 3.169 124.398 121.223 0.009 0.000 2.299 153 L HA 0.881 5.221 4.340 0.000 0.000 0.268 153 L C -0.555 176.375 176.870 0.099 0.000 1.012 153 L CA -0.615 54.261 54.840 0.059 0.000 0.816 153 L CB 1.906 43.991 42.059 0.042 0.000 1.355 153 L HN 0.738 nan 8.230 nan 0.000 0.457 154 D N 0.333 120.824 120.400 0.152 0.000 2.734 154 D HA 0.514 5.154 4.640 0.000 0.000 0.224 154 D C -2.054 174.415 176.300 0.282 0.000 1.222 154 D CA -0.365 53.766 54.000 0.220 0.000 0.761 154 D CB 2.131 43.083 40.800 0.253 0.000 1.569 154 D HN 0.309 nan 8.370 nan 0.000 0.477 155 L N 4.016 125.434 121.223 0.324 0.000 2.431 155 L HA 0.881 5.221 4.340 0.000 0.000 0.266 155 L C -1.366 175.751 176.870 0.411 0.000 0.978 155 L CA -0.280 54.723 54.840 0.271 0.000 0.822 155 L CB 1.335 43.537 42.059 0.239 0.000 1.310 155 L HN 0.548 nan 8.230 nan 0.000 0.409 156 W N 2.766 124.133 121.300 0.112 0.000 3.019 156 W HA 0.769 5.429 4.660 0.000 0.000 0.412 156 W C -1.873 174.630 176.519 -0.026 0.000 1.087 156 W CA -0.853 56.511 57.345 0.032 0.000 1.170 156 W CB 0.443 29.908 29.460 0.008 0.000 1.483 156 W HN 0.310 nan 8.180 nan 0.000 0.606 157 V N 1.958 122.022 119.914 0.249 0.000 2.680 157 V HA 0.462 4.582 4.120 0.000 0.000 0.309 157 V C 0.417 176.602 176.094 0.152 0.000 1.052 157 V CA -0.643 61.663 62.300 0.010 0.000 0.908 157 V CB 1.367 33.162 31.823 -0.046 0.000 1.001 157 V HN 0.601 nan 8.190 nan 0.000 0.431 158 S N 1.571 117.271 115.700 -0.000 0.000 2.693 158 S HA 0.212 4.682 4.470 0.000 0.000 0.276 158 S C 0.959 175.596 174.600 0.061 0.000 1.192 158 S CA 0.025 58.265 58.200 0.066 0.000 0.994 158 S CB 1.227 64.410 63.200 -0.028 0.000 1.012 158 S HN 0.899 nan 8.310 nan 0.000 0.550 159 D N 1.013 121.458 120.400 0.076 0.000 2.309 159 D HA -0.110 4.530 4.640 0.000 0.000 0.212 159 D C 1.374 177.689 176.300 0.025 0.000 0.968 159 D CA 1.033 55.062 54.000 0.048 0.000 0.882 159 D CB -0.516 40.314 40.800 0.050 0.000 0.918 159 D HN 0.432 nan 8.370 nan 0.000 0.503 160 S N -0.062 115.649 115.700 0.017 0.000 2.368 160 S HA 0.149 4.619 4.470 0.000 0.000 0.224 160 S C 1.804 176.403 174.600 -0.001 0.000 1.029 160 S CA 1.408 59.612 58.200 0.007 0.000 0.988 160 S CB -0.190 63.012 63.200 0.003 0.000 0.838 160 S HN 0.749 nan 8.310 nan 0.000 0.462 161 G N 0.406 109.197 108.800 -0.015 0.000 2.155 161 G HA2 0.193 4.153 3.960 0.000 0.000 0.135 161 G HA3 0.193 4.153 3.960 0.000 0.000 0.135 161 G C -0.214 174.650 174.900 -0.061 0.000 1.023 161 G CA -0.183 44.899 45.100 -0.031 0.000 0.688 161 G HN 0.807 nan 8.290 nan 0.000 0.499 162 A N -0.628 122.147 122.820 -0.075 0.000 2.387 162 A HA 0.941 5.261 4.320 0.000 0.000 0.298 162 A C -0.265 177.221 177.584 -0.163 0.000 1.165 162 A CA -0.918 51.082 52.037 -0.063 0.000 0.814 162 A CB 1.041 20.050 19.000 0.016 0.000 1.357 162 A HN 0.595 nan 8.150 nan 0.000 0.443 163 F N -0.608 119.314 119.950 -0.046 0.000 2.444 163 F HA 0.526 5.053 4.527 0.000 0.000 0.331 163 F C 0.149 175.831 175.800 -0.198 0.000 1.167 163 F CA 0.203 58.154 58.000 -0.082 0.000 1.262 163 F CB 0.882 39.853 39.000 -0.048 0.000 1.196 163 F HN 0.273 nan 8.300 nan 0.000 0.583 164 L N 3.171 124.284 121.223 -0.183 0.000 2.528 164 L HA 0.460 4.800 4.340 0.000 0.000 0.267 164 L C -1.626 174.986 176.870 -0.430 0.000 0.961 164 L CA -0.509 54.049 54.840 -0.469 0.000 0.866 164 L CB 1.483 42.878 42.059 -1.107 0.000 1.248 164 L HN 0.493 nan 8.230 nan 0.000 0.404 165 L N 3.828 124.981 121.223 -0.117 0.000 2.295 165 L HA 0.593 4.933 4.340 0.000 0.000 0.285 165 L C -0.231 176.740 176.870 0.169 0.000 1.035 165 L CA 0.168 55.033 54.840 0.042 0.000 0.806 165 L CB 1.492 43.617 42.059 0.110 0.000 1.214 165 L HN 0.740 nan 8.230 nan 0.000 0.426 166 E N 3.533 123.858 120.200 0.209 0.000 2.183 166 E HA 0.664 5.014 4.350 0.000 0.000 0.271 166 E C -1.818 174.930 176.600 0.247 0.000 0.919 166 E CA -0.719 55.843 56.400 0.269 0.000 0.781 166 E CB 1.703 31.602 29.700 0.332 0.000 1.140 166 E HN 0.476 nan 8.360 nan 0.000 0.402 167 V N 3.434 123.519 119.914 0.285 0.000 2.760 167 V HA 0.388 4.508 4.120 0.000 0.000 0.309 167 V C -1.257 174.953 176.094 0.193 0.000 1.077 167 V CA -0.796 61.633 62.300 0.216 0.000 0.910 167 V CB 2.139 34.090 31.823 0.214 0.000 1.008 167 V HN 0.800 nan 8.190 nan 0.000 0.424 168 D N 4.403 124.873 120.400 0.117 0.000 2.452 168 D HA 0.441 5.081 4.640 0.000 0.000 0.226 168 D C -2.981 173.351 176.300 0.053 0.000 1.366 168 D CA -1.169 52.896 54.000 0.107 0.000 0.986 168 D CB 2.706 43.561 40.800 0.090 0.000 1.420 168 D HN 0.220 nan 8.370 nan 0.000 0.583 169 P HA 0.257 nan 4.420 nan 0.000 0.261 169 P C -1.170 176.133 177.300 0.004 0.000 1.158 169 P CA 0.342 63.469 63.100 0.045 0.000 0.758 169 P CB 0.685 32.435 31.700 0.084 0.000 0.763 170 A N 3.148 125.946 122.820 -0.037 0.000 2.593 170 A HA 0.725 5.045 4.320 0.000 0.000 0.290 170 A C -1.196 176.373 177.584 -0.025 0.000 1.126 170 A CA -0.642 51.284 52.037 -0.185 0.000 0.695 170 A CB 0.823 19.642 19.000 -0.302 0.000 1.290 170 A HN 0.504 nan 8.150 nan 0.000 0.414 171 Y N -1.884 118.528 120.300 0.186 0.000 2.645 171 Y HA 0.937 5.487 4.550 0.000 0.000 0.341 171 Y C 0.513 176.531 175.900 0.197 0.000 1.234 171 Y CA -0.661 57.537 58.100 0.164 0.000 1.352 171 Y CB 0.355 38.842 38.460 0.045 0.000 1.556 171 Y HN 1.329 nan 8.280 nan 0.000 0.607 172 R N -0.955 119.720 120.500 0.291 0.000 3.233 172 R HA 0.507 4.847 4.340 0.000 0.000 0.301 172 R C -1.437 174.872 176.300 0.015 0.000 1.018 172 R CA -0.065 56.071 56.100 0.060 0.000 0.989 172 R CB -1.240 28.830 30.300 -0.384 0.000 1.393 172 R HN 1.620 nan 8.270 nan 0.000 0.370 173 I N 2.011 122.614 120.570 0.054 0.000 2.471 173 I HA 0.719 4.889 4.170 0.000 0.000 0.294 173 I C 0.336 176.430 176.117 -0.039 0.000 1.123 173 I CA -0.505 60.802 61.300 0.012 0.000 1.336 173 I CB 0.302 38.289 38.000 -0.022 0.000 1.430 173 I HN 0.655 nan 8.210 nan 0.000 0.533 174 L N 6.014 127.218 121.223 -0.032 0.000 2.289 174 L HA 0.619 4.959 4.340 0.000 0.000 0.285 174 L C 0.072 176.909 176.870 -0.054 0.000 1.049 174 L CA -0.357 54.437 54.840 -0.077 0.000 0.804 174 L CB 1.431 43.429 42.059 -0.102 0.000 1.195 174 L HN 0.842 nan 8.230 nan 0.000 0.428 175 C N 3.771 122.993 119.300 -0.129 0.000 2.271 175 C HA 0.683 5.143 4.460 0.000 0.000 0.323 175 C C 1.078 176.016 174.990 -0.087 0.000 1.245 175 C CA -0.040 58.884 59.018 -0.157 0.000 1.548 175 C CB 0.138 27.632 27.740 -0.410 0.000 2.214 175 C HN 1.002 nan 8.230 nan 0.000 0.477 176 E N 2.856 123.054 120.200 -0.003 0.000 2.444 176 E HA 0.290 4.640 4.350 0.000 0.000 0.191 176 E C 1.223 177.853 176.600 0.049 0.000 1.041 176 E CA 0.897 57.293 56.400 -0.007 0.000 0.883 176 E CB -0.064 29.625 29.700 -0.018 0.000 1.024 176 E HN 1.002 nan 8.360 nan 0.000 0.470 177 M N -0.943 118.735 119.600 0.130 0.000 2.216 177 M HA 0.523 5.003 4.480 0.000 0.000 0.264 177 M C 1.501 177.883 176.300 0.136 0.000 1.080 177 M CA 1.195 56.625 55.300 0.218 0.000 1.153 177 M CB -0.211 32.739 32.600 0.582 0.000 1.356 177 M HN 0.915 nan 8.290 nan 0.000 0.432 178 S N -0.920 114.827 115.700 0.078 0.000 2.772 178 S HA -0.023 4.447 4.470 0.000 0.000 0.857 178 S C 0.390 175.032 174.600 0.071 0.000 0.842 178 S CA -0.007 58.212 58.200 0.032 0.000 1.520 178 S CB -1.141 62.078 63.200 0.033 0.000 1.093 178 S HN 1.411 nan 8.310 nan 0.000 0.224 179 L N 4.205 125.431 121.223 0.005 0.000 2.012 179 L HA -0.217 4.123 4.340 0.000 0.000 0.236 179 L C 2.861 179.792 176.870 0.101 0.000 1.099 179 L CA 3.639 58.495 54.840 0.026 0.000 0.821 179 L CB -2.079 39.957 42.059 -0.038 0.000 0.918 179 L HN 1.210 nan 8.230 nan 0.000 0.445 180 E N -0.960 119.274 120.200 0.057 0.000 2.086 180 E HA -0.288 4.062 4.350 0.000 0.000 0.205 180 E C 2.145 178.804 176.600 0.099 0.000 1.027 180 E CA 2.755 59.194 56.400 0.065 0.000 0.830 180 E CB -1.182 28.538 29.700 0.033 0.000 0.751 180 E HN 0.746 nan 8.360 nan 0.000 0.456 181 A N -0.247 122.637 122.820 0.107 0.000 1.845 181 A HA -0.116 4.204 4.320 0.000 0.000 0.215 181 A C 2.275 179.963 177.584 0.174 0.000 1.195 181 A CA 1.945 54.051 52.037 0.115 0.000 0.616 181 A CB -0.989 18.074 19.000 0.105 0.000 0.832 181 A HN 0.811 nan 8.150 nan 0.000 0.443 182 W N 0.576 121.893 121.300 0.028 0.000 2.338 182 W HA -0.152 4.508 4.660 0.000 0.000 0.304 182 W C 1.686 178.270 176.519 0.109 0.000 1.212 182 W CA 1.905 59.277 57.345 0.045 0.000 1.264 182 W CB -0.294 29.148 29.460 -0.029 0.000 1.142 182 W HN 0.334 nan 8.180 nan 0.000 0.512 183 L N 1.239 122.682 121.223 0.366 0.000 2.465 183 L HA -0.033 4.307 4.340 0.000 0.000 0.224 183 L C 2.079 179.039 176.870 0.151 0.000 1.145 183 L CA 1.769 56.768 54.840 0.265 0.000 0.834 183 L CB -1.212 40.958 42.059 0.186 0.000 0.944 183 L HN -0.014 nan 8.230 nan 0.000 0.451 184 A N -0.135 122.758 122.820 0.123 0.000 1.844 184 A HA -0.073 4.247 4.320 0.000 0.000 0.212 184 A C 1.977 179.579 177.584 0.029 0.000 1.221 184 A CA 1.126 53.202 52.037 0.065 0.000 0.607 184 A CB -0.839 18.195 19.000 0.057 0.000 0.878 184 A HN 0.473 nan 8.150 nan 0.000 0.451 185 Q N 0.323 120.128 119.800 0.008 0.000 2.294 185 Q HA 0.426 4.766 4.340 0.000 0.000 0.222 185 Q C 0.994 176.956 176.000 -0.063 0.000 0.903 185 Q CA 0.734 56.517 55.803 -0.034 0.000 0.966 185 Q CB -2.074 26.632 28.738 -0.054 0.000 1.091 185 Q HN 2.169 nan 8.270 nan 0.000 0.438 186 G N 0.922 109.714 108.800 -0.013 0.000 2.775 186 G HA2 -0.077 3.883 3.960 0.000 0.000 0.205 186 G HA3 -0.077 3.883 3.960 0.000 0.000 0.205 186 G C -0.417 174.407 174.900 -0.125 0.000 0.201 186 G CA 0.517 45.603 45.100 -0.023 0.000 1.125 186 G HN 0.945 nan 8.290 nan 0.000 0.534 187 H N 1.193 120.266 119.070 0.006 0.000 2.990 187 H HA 0.749 5.305 4.556 0.000 0.000 0.343 187 H C -1.413 173.986 175.328 0.119 0.000 1.270 187 H CA 0.139 56.228 56.048 0.068 0.000 1.118 187 H CB 1.385 31.269 29.762 0.204 0.000 1.861 187 H HN 0.766 nan 8.280 nan 0.000 0.544 188 P HA 0.592 nan 4.420 nan 0.000 0.287 188 P C 0.013 177.414 177.300 0.169 0.000 1.294 188 P CA -0.003 63.192 63.100 0.158 0.000 0.776 188 P CB -0.243 31.520 31.700 0.106 0.000 0.889 189 L N 4.705 126.008 121.223 0.132 0.000 2.628 189 L HA 0.307 4.647 4.340 0.000 0.000 0.292 189 L C -0.550 176.363 176.870 0.072 0.000 1.250 189 L CA -0.471 54.430 54.840 0.102 0.000 0.892 189 L CB -1.035 41.072 42.059 0.079 0.000 1.138 189 L HN 0.633 nan 8.230 nan 0.000 0.502 190 P HA 0.498 nan 4.420 nan 0.000 0.289 190 P C 0.629 177.940 177.300 0.019 0.000 1.299 190 P CA 0.442 63.549 63.100 0.012 0.000 0.766 190 P CB 0.656 32.331 31.700 -0.042 0.000 1.226 191 K N -0.769 119.638 120.400 0.013 0.000 2.168 191 K HA 0.253 4.573 4.320 0.000 0.000 0.201 191 K C 1.617 178.236 176.600 0.032 0.000 1.049 191 K CA 1.495 57.797 56.287 0.025 0.000 0.974 191 K CB -0.697 31.816 32.500 0.022 0.000 0.792 191 K HN 0.800 nan 8.250 nan 0.000 0.463 192 R N 0.163 120.673 120.500 0.017 0.000 2.534 192 R HA 0.765 5.105 4.340 0.000 0.000 0.301 192 R C -0.644 175.662 176.300 0.010 0.000 0.961 192 R CA 0.015 56.134 56.100 0.031 0.000 0.871 192 R CB 0.818 31.130 30.300 0.021 0.000 1.170 192 R HN 0.597 nan 8.270 nan 0.000 0.446 193 V N 1.582 121.525 119.914 0.049 0.000 3.158 193 V HA 0.888 5.008 4.120 0.000 0.000 0.315 193 V C -0.511 175.630 176.094 0.078 0.000 1.148 193 V CA -0.922 61.388 62.300 0.016 0.000 1.042 193 V CB 2.275 34.091 31.823 -0.011 0.000 1.101 193 V HN 1.005 nan 8.190 nan 0.000 0.448 194 R N 1.423 121.937 120.500 0.023 0.000 2.836 194 R HA 0.504 4.844 4.340 0.000 0.000 0.269 194 R C -0.958 175.332 176.300 -0.017 0.000 1.010 194 R CA -0.808 55.317 56.100 0.042 0.000 0.930 194 R CB 1.989 32.257 30.300 -0.053 0.000 1.218 194 R HN 0.879 nan 8.270 nan 0.000 0.473 195 N N -0.388 118.291 118.700 -0.034 0.000 2.443 195 N HA 0.289 5.029 4.740 0.000 0.000 0.294 195 N C 0.155 175.504 175.510 -0.269 0.000 1.289 195 N CA 0.075 52.991 53.050 -0.224 0.000 0.966 195 N CB 0.704 38.906 38.487 -0.475 0.000 1.122 195 N HN 0.653 nan 8.380 nan 0.000 0.569 196 A N -0.867 121.758 122.820 -0.325 0.000 2.138 196 A HA 0.069 4.389 4.320 0.000 0.000 0.203 196 A C 1.153 178.697 177.584 -0.067 0.000 1.286 196 A CA 0.004 51.966 52.037 -0.124 0.000 0.929 196 A CB -0.511 18.495 19.000 0.010 0.000 0.975 196 A HN 0.649 nan 8.150 nan 0.000 0.480 197 Y N 0.822 121.161 120.300 0.065 0.000 2.519 197 Y HA 0.298 4.848 4.550 0.000 0.000 0.287 197 Y C 0.384 176.322 175.900 0.063 0.000 1.128 197 Y CA -0.345 57.794 58.100 0.065 0.000 1.282 197 Y CB -0.362 38.152 38.460 0.091 0.000 1.027 197 Y HN 0.383 nan 8.280 nan 0.000 0.551 198 D N -1.370 118.946 120.400 -0.139 0.000 3.557 198 D HA 0.258 4.898 4.640 0.000 0.000 0.331 198 D C 0.465 176.708 176.300 -0.095 0.000 1.442 198 D CA -0.731 53.241 54.000 -0.047 0.000 0.971 198 D CB 0.326 41.154 40.800 0.046 0.000 1.423 198 D HN -0.146 nan 8.370 nan 0.000 0.604 199 R N -0.764 119.699 120.500 -0.062 0.000 2.437 199 R HA 0.201 4.541 4.340 0.000 0.000 0.257 199 R C -0.190 176.046 176.300 -0.106 0.000 0.927 199 R CA -0.147 55.910 56.100 -0.073 0.000 1.078 199 R CB -0.070 30.210 30.300 -0.033 0.000 1.161 199 R HN 0.353 nan 8.270 nan 0.000 0.529 200 R N 0.947 121.363 120.500 -0.140 0.000 2.421 200 R HA 0.157 4.497 4.340 0.000 0.000 0.305 200 R C 0.244 176.333 176.300 -0.353 0.000 1.039 200 R CA 0.028 55.971 56.100 -0.261 0.000 1.003 200 R CB -0.162 29.952 30.300 -0.309 0.000 0.959 200 R HN -0.256 nan 8.270 nan 0.000 0.427 201 T N 2.080 116.422 114.554 -0.354 0.000 2.929 201 T HA 0.667 5.017 4.350 0.000 0.000 0.284 201 T C -1.028 173.466 174.700 -0.345 0.000 1.014 201 T CA -0.566 61.387 62.100 -0.245 0.000 1.051 201 T CB 0.368 69.172 68.868 -0.106 0.000 1.028 201 T HN 0.575 nan 8.240 nan 0.000 0.485 202 W N 0.036 121.331 121.300 -0.008 0.000 3.017 202 W HA 0.650 5.310 4.660 -0.000 0.000 0.341 202 W C 0.031 176.552 176.519 0.004 0.000 1.180 202 W CA -0.833 56.523 57.345 0.017 0.000 1.097 202 W CB 0.269 29.762 29.460 0.056 0.000 1.468 202 W HN 0.710 nan 8.180 nan 0.000 0.584 203 E N 1.834 122.213 120.200 0.299 0.000 2.151 203 E HA 0.490 4.840 4.350 0.000 0.000 0.275 203 E C -1.175 175.512 176.600 0.146 0.000 0.936 203 E CA -1.073 55.425 56.400 0.163 0.000 0.777 203 E CB 1.471 31.244 29.700 0.122 0.000 1.108 203 E HN 0.546 nan 8.360 nan 0.000 0.401 204 L N 3.619 124.900 121.223 0.096 0.000 2.418 204 L HA 0.421 4.761 4.340 0.000 0.000 0.274 204 L C 1.351 178.270 176.870 0.081 0.000 1.135 204 L CA 0.772 55.656 54.840 0.073 0.000 0.870 204 L CB 0.144 42.229 42.059 0.043 0.000 1.154 204 L HN 0.849 nan 8.230 nan 0.000 0.462 205 L N 6.558 127.842 121.223 0.102 0.000 2.298 205 L HA 0.270 4.610 4.340 0.000 0.000 0.209 205 L C 1.238 178.161 176.870 0.089 0.000 1.084 205 L CA 1.484 56.383 54.840 0.097 0.000 0.816 205 L CB -0.459 41.670 42.059 0.116 0.000 0.967 205 L HN 0.958 nan 8.230 nan 0.000 0.460 206 R N -1.954 118.621 120.500 0.125 0.000 3.135 206 R HA 0.447 4.787 4.340 0.000 0.000 0.276 206 R C -2.212 174.192 176.300 0.173 0.000 0.925 206 R CA -0.357 55.811 56.100 0.113 0.000 0.809 206 R CB 0.093 30.431 30.300 0.064 0.000 1.511 206 R HN 0.296 nan 8.270 nan 0.000 0.486 207 L N 0.724 122.046 121.223 0.164 0.000 2.346 207 L HA 0.668 5.008 4.340 0.000 0.000 0.274 207 L C 0.263 177.301 176.870 0.280 0.000 1.007 207 L CA -0.454 54.498 54.840 0.187 0.000 0.818 207 L CB 2.090 44.213 42.059 0.108 0.000 1.284 207 L HN 0.875 nan 8.230 nan 0.000 0.424 208 G N 2.666 111.622 108.800 0.260 0.000 2.298 208 G HA2 -0.010 3.950 3.960 0.000 0.000 0.284 208 G HA3 -0.010 3.950 3.960 0.000 0.000 0.284 208 G C 0.605 175.628 174.900 0.204 0.000 1.013 208 G CA 0.214 45.467 45.100 0.254 0.000 1.365 208 G HN 0.908 nan 8.290 nan 0.000 0.415 209 E N 1.677 122.036 120.200 0.265 0.000 2.494 209 E HA 0.078 4.428 4.350 0.000 0.000 0.193 209 E C 0.239 176.924 176.600 0.142 0.000 1.074 209 E CA 0.154 56.648 56.400 0.156 0.000 0.867 209 E CB 0.391 30.161 29.700 0.117 0.000 0.924 209 E HN 0.619 nan 8.360 nan 0.000 0.502 210 E N 0.671 120.971 120.200 0.167 0.000 2.390 210 E HA 0.233 4.583 4.350 0.000 0.000 0.249 210 E C -1.071 175.562 176.600 0.055 0.000 0.981 210 E CA -0.903 55.568 56.400 0.118 0.000 0.860 210 E CB 0.784 30.587 29.700 0.172 0.000 1.278 210 E HN -0.044 nan 8.360 nan 0.000 0.416 211 D N 1.581 122.006 120.400 0.040 0.000 2.359 211 D HA 0.158 4.798 4.640 0.000 0.000 0.230 211 D C -2.104 174.195 176.300 -0.001 0.000 1.118 211 D CA -2.361 51.650 54.000 0.018 0.000 0.844 211 D CB 0.920 41.732 40.800 0.021 0.000 1.059 211 D HN 0.038 nan 8.370 nan 0.000 0.493 212 P HA 0.091 nan 4.420 nan 0.000 0.226 212 P C -0.298 176.999 177.300 -0.005 0.000 1.783 212 P CA 0.149 63.233 63.100 -0.026 0.000 0.980 212 P CB -0.386 31.295 31.700 -0.031 0.000 1.967 213 K N -1.208 119.191 120.400 -0.002 0.000 2.191 213 K HA 0.068 4.388 4.320 0.000 0.000 0.154 213 K C 0.907 177.510 176.600 0.005 0.000 1.928 213 K CA 0.077 56.367 56.287 0.006 0.000 1.002 213 K CB -0.546 31.959 32.500 0.008 0.000 1.876 213 K HN -0.014 nan 8.250 nan 0.000 0.477 214 E N 1.016 121.218 120.200 0.005 0.000 2.572 214 E HA 0.248 4.598 4.350 0.000 0.000 0.220 214 E C -0.040 176.566 176.600 0.010 0.000 0.945 214 E CA 0.042 56.448 56.400 0.009 0.000 1.070 214 E CB 0.586 30.295 29.700 0.015 0.000 1.090 214 E HN 0.178 nan 8.360 nan 0.000 0.506 215 L N 2.989 124.212 121.223 -0.001 0.000 2.283 215 L HA 0.410 4.750 4.340 0.000 0.000 0.287 215 L C -2.617 174.238 176.870 -0.025 0.000 1.073 215 L CA -2.512 52.324 54.840 -0.007 0.000 0.822 215 L CB 1.411 43.444 42.059 -0.044 0.000 1.186 215 L HN -0.063 nan 8.230 nan 0.000 0.436 216 P HA 0.222 nan 4.420 nan 0.000 0.296 216 P C -0.828 176.448 177.300 -0.041 0.000 1.301 216 P CA -0.738 62.348 63.100 -0.023 0.000 0.862 216 P CB 1.825 33.522 31.700 -0.006 0.000 1.046 217 L N 5.410 126.588 121.223 -0.076 0.000 2.482 217 L HA 0.214 4.555 4.340 0.000 0.000 0.242 217 L C -0.858 175.976 176.870 -0.060 0.000 1.210 217 L CA -2.121 52.655 54.840 -0.107 0.000 0.819 217 L CB -0.889 41.051 42.059 -0.197 0.000 1.203 217 L HN 0.276 nan 8.230 nan 0.000 0.495 218 P HA -0.153 nan 4.420 nan 0.000 0.215 218 P C 1.451 178.738 177.300 -0.022 0.000 1.163 218 P CA 1.734 64.817 63.100 -0.028 0.000 0.894 218 P CB 0.131 31.814 31.700 -0.027 0.000 0.791 219 G N -1.718 107.065 108.800 -0.029 0.000 2.469 219 G HA2 -0.084 3.876 3.960 0.000 0.000 0.220 219 G HA3 -0.084 3.876 3.960 0.000 0.000 0.220 219 G C 1.208 176.101 174.900 -0.011 0.000 1.136 219 G CA 1.368 46.459 45.100 -0.015 0.000 0.759 219 G HN 0.546 nan 8.290 nan 0.000 0.562 220 G N -1.843 106.948 108.800 -0.017 0.000 2.260 220 G HA2 -0.108 3.852 3.960 0.000 0.000 0.179 220 G HA3 -0.108 3.852 3.960 0.000 0.000 0.179 220 G C 0.207 175.101 174.900 -0.010 0.000 1.002 220 G CA 0.087 45.181 45.100 -0.010 0.000 0.677 220 G HN 0.620 nan 8.290 nan 0.000 0.486 221 L N 3.113 124.327 121.223 -0.014 0.000 2.426 221 L HA 0.655 4.995 4.340 0.000 0.000 0.271 221 L C 1.224 178.085 176.870 -0.015 0.000 1.169 221 L CA 0.335 55.172 54.840 -0.004 0.000 0.836 221 L CB 1.009 43.077 42.059 0.015 0.000 1.112 221 L HN 0.611 nan 8.230 nan 0.000 0.465 222 S N 5.015 120.715 115.700 -0.000 0.000 2.580 222 S HA 0.103 4.573 4.470 0.000 0.000 0.274 222 S C 1.183 175.784 174.600 0.001 0.000 1.329 222 S CA -0.678 57.520 58.200 -0.005 0.000 1.036 222 S CB 0.740 63.945 63.200 0.007 0.000 0.919 222 S HN 0.774 nan 8.310 nan 0.000 0.515 223 L N 2.147 123.353 121.223 -0.028 0.000 2.081 223 L HA -0.128 4.212 4.340 0.000 0.000 0.212 223 L C 2.795 179.734 176.870 0.114 0.000 1.080 223 L CA 2.612 57.440 54.840 -0.020 0.000 0.754 223 L CB -1.895 40.116 42.059 -0.080 0.000 0.893 223 L HN 0.877 nan 8.230 nan 0.000 0.433 224 L N -1.530 119.742 121.223 0.081 0.000 2.044 224 L HA -0.167 4.173 4.340 0.000 0.000 0.205 224 L C 2.366 179.294 176.870 0.096 0.000 1.075 224 L CA 2.292 57.194 54.840 0.103 0.000 0.747 224 L CB -1.543 40.545 42.059 0.047 0.000 0.903 224 L HN 0.221 nan 8.230 nan 0.000 0.435 225 D N -1.758 118.678 120.400 0.061 0.000 2.149 225 D HA -0.226 4.414 4.640 0.000 0.000 0.198 225 D C 1.867 178.187 176.300 0.033 0.000 0.990 225 D CA 1.707 55.729 54.000 0.037 0.000 0.839 225 D CB -0.145 40.670 40.800 0.025 0.000 0.948 225 D HN 0.727 nan 8.370 nan 0.000 0.460 226 Y N 1.333 121.574 120.300 -0.098 0.000 2.040 226 Y HA -0.310 4.240 4.550 0.000 0.000 0.275 226 Y C 2.248 178.016 175.900 -0.220 0.000 1.171 226 Y CA 2.202 60.184 58.100 -0.197 0.000 1.123 226 Y CB -0.690 37.575 38.460 -0.325 0.000 0.963 226 Y HN 0.159 nan 8.280 nan 0.000 0.493 227 H N -0.867 118.123 119.070 -0.133 0.000 2.403 227 H HA 0.098 4.654 4.556 0.000 0.000 0.298 227 H C 2.312 177.523 175.328 -0.194 0.000 1.059 227 H CA 0.934 56.826 56.048 -0.261 0.000 1.363 227 H CB -0.347 29.350 29.762 -0.109 0.000 1.410 227 H HN 0.448 nan 8.280 nan 0.000 0.528 228 A N 0.428 123.260 122.820 0.020 0.000 1.883 228 A HA -0.189 4.131 4.320 0.000 0.000 0.217 228 A C 2.128 179.680 177.584 -0.052 0.000 1.186 228 A CA 1.906 53.937 52.037 -0.011 0.000 0.624 228 A CB -0.682 18.320 19.000 0.004 0.000 0.822 228 A HN 0.343 nan 8.150 nan 0.000 0.444 229 S N -0.509 115.144 115.700 -0.079 0.000 2.803 229 S HA 0.072 4.542 4.470 0.000 0.000 0.226 229 S C 1.181 175.708 174.600 -0.122 0.000 0.962 229 S CA 0.634 58.781 58.200 -0.087 0.000 0.968 229 S CB -0.096 63.057 63.200 -0.078 0.000 0.786 229 S HN 0.586 nan 8.310 nan 0.000 0.527 230 K N -0.465 119.847 120.400 -0.147 0.000 2.425 230 K HA 0.259 4.579 4.320 0.000 0.000 0.201 230 K C 1.295 177.834 176.600 -0.102 0.000 1.128 230 K CA 0.532 56.723 56.287 -0.160 0.000 1.000 230 K CB 0.903 33.243 32.500 -0.268 0.000 0.961 230 K HN 0.329 nan 8.250 nan 0.000 0.555 231 G N 1.451 110.204 108.800 -0.077 0.000 2.201 231 G HA2 -0.192 3.768 3.960 0.000 0.000 0.212 231 G HA3 -0.192 3.768 3.960 0.000 0.000 0.212 231 G C 0.805 175.685 174.900 -0.033 0.000 0.994 231 G CA -0.274 44.800 45.100 -0.043 0.000 0.644 231 G HN 0.010 nan 8.290 nan 0.000 0.508 232 R N -0.017 120.447 120.500 -0.060 0.000 2.307 232 R HA 0.247 4.587 4.340 0.000 0.000 0.199 232 R C 1.200 177.491 176.300 -0.014 0.000 1.000 232 R CA 0.324 56.399 56.100 -0.042 0.000 1.023 232 R CB -0.237 29.981 30.300 -0.138 0.000 0.908 232 R HN 0.423 nan 8.270 nan 0.000 0.473 233 L N 2.528 123.742 121.223 -0.014 0.000 3.154 233 L HA 0.142 4.483 4.340 0.000 0.000 0.266 233 L C 0.108 176.977 176.870 -0.001 0.000 1.300 233 L CA 0.212 55.050 54.840 -0.004 0.000 1.028 233 L CB 0.196 42.255 42.059 0.001 0.000 1.412 233 L HN 0.062 nan 8.230 nan 0.000 0.564 234 Q N 0.626 120.427 119.800 0.001 0.000 3.184 234 Q HA 0.191 4.531 4.340 0.000 0.000 0.288 234 Q C 0.639 176.642 176.000 0.006 0.000 1.412 234 Q CA 0.463 56.267 55.803 0.003 0.000 0.991 234 Q CB -0.837 27.903 28.738 0.004 0.000 1.688 234 Q HN 0.518 nan 8.270 nan 0.000 0.554 235 G N 2.773 111.575 108.800 0.005 0.000 2.246 235 G HA2 -0.355 3.605 3.960 0.000 0.000 0.273 235 G HA3 -0.355 3.605 3.960 0.000 0.000 0.273 235 G C 0.309 175.214 174.900 0.008 0.000 1.055 235 G CA 0.490 45.593 45.100 0.006 0.000 0.851 235 G HN 0.584 nan 8.290 nan 0.000 0.500 236 R N 0.082 120.587 120.500 0.008 0.000 2.702 236 R HA 0.375 4.715 4.340 0.000 0.000 0.314 236 R C 1.760 178.064 176.300 0.006 0.000 1.152 236 R CA 0.632 56.739 56.100 0.011 0.000 1.097 236 R CB -0.258 30.052 30.300 0.017 0.000 1.343 236 R HN 0.523 nan 8.270 nan 0.000 0.575 237 E N 0.352 120.555 120.200 0.005 0.000 2.433 237 E HA -0.242 4.108 4.350 0.000 0.000 0.231 237 E C 0.472 177.072 176.600 -0.000 0.000 1.133 237 E CA 1.454 57.855 56.400 0.003 0.000 0.922 237 E CB -0.413 29.290 29.700 0.004 0.000 0.773 237 E HN 0.503 nan 8.360 nan 0.000 0.460 238 G N -0.044 108.757 108.800 0.002 0.000 2.824 238 G HA2 0.008 3.968 3.960 0.000 0.000 0.295 238 G HA3 0.008 3.968 3.960 0.000 0.000 0.295 238 G C 0.412 175.306 174.900 -0.011 0.000 0.371 238 G CA 0.408 45.507 45.100 -0.002 0.000 1.167 238 G HN 0.471 nan 8.290 nan 0.000 0.196 239 G N 2.576 111.372 108.800 -0.008 0.000 4.867 239 G HA2 0.357 4.317 3.960 0.000 0.000 0.258 239 G HA3 0.357 4.317 3.960 0.000 0.000 0.258 239 G C 0.360 175.253 174.900 -0.011 0.000 0.999 239 G CA -0.532 44.561 45.100 -0.011 0.000 0.797 239 G HN 0.800 nan 8.290 nan 0.000 0.505 240 R N 0.637 121.130 120.500 -0.012 0.000 2.457 240 R HA 0.582 4.922 4.340 0.000 0.000 0.284 240 R C -0.097 176.186 176.300 -0.030 0.000 1.024 240 R CA -0.341 55.754 56.100 -0.008 0.000 1.025 240 R CB 1.271 31.574 30.300 0.005 0.000 1.063 240 R HN -0.013 nan 8.270 nan 0.000 0.493 241 V N 1.584 121.477 119.914 -0.035 0.000 2.546 241 V HA 0.684 4.804 4.120 0.000 0.000 0.284 241 V C 0.005 176.048 176.094 -0.084 0.000 1.050 241 V CA -0.801 61.444 62.300 -0.092 0.000 0.981 241 V CB 1.071 32.822 31.823 -0.120 0.000 0.990 241 V HN 0.870 nan 8.190 nan 0.000 0.474 242 A N 3.559 126.288 122.820 -0.151 0.000 2.381 242 A HA 0.683 5.003 4.320 0.000 0.000 0.299 242 A C -1.422 176.070 177.584 -0.154 0.000 1.049 242 A CA -0.596 51.393 52.037 -0.081 0.000 0.715 242 A CB 0.846 19.810 19.000 -0.060 0.000 1.222 242 A HN 0.819 nan 8.150 nan 0.000 0.428 243 W N 3.105 124.395 121.300 -0.018 0.000 2.387 243 W HA 0.462 5.122 4.660 0.000 0.000 0.310 243 W C 0.504 177.001 176.519 -0.037 0.000 1.181 243 W CA -0.010 57.319 57.345 -0.026 0.000 1.333 243 W CB 1.307 30.758 29.460 -0.016 0.000 1.286 243 W HN 0.678 nan 8.180 nan 0.000 0.455 244 V N 1.098 121.063 119.914 0.085 0.000 3.193 244 V HA 0.994 5.114 4.120 0.000 0.000 0.320 244 V C -0.154 175.994 176.094 0.091 0.000 1.112 244 V CA -1.445 60.873 62.300 0.031 0.000 1.026 244 V CB 1.362 33.080 31.823 -0.176 0.000 1.128 244 V HN 0.533 nan 8.190 nan 0.000 0.452 245 A N 0.576 123.495 122.820 0.166 0.000 2.539 245 A HA 0.685 5.005 4.320 0.000 0.000 0.296 245 A C -1.080 176.737 177.584 0.389 0.000 1.073 245 A CA -0.476 51.696 52.037 0.225 0.000 0.700 245 A CB 1.524 20.618 19.000 0.158 0.000 1.296 245 A HN 1.067 nan 8.150 nan 0.000 0.405 246 D N 1.669 122.293 120.400 0.373 0.000 2.345 246 D HA 0.399 5.039 4.640 0.000 0.000 0.247 246 D C -0.995 175.387 176.300 0.136 0.000 1.108 246 D CA -1.288 52.904 54.000 0.320 0.000 0.894 246 D CB 1.105 42.035 40.800 0.217 0.000 1.203 246 D HN 0.189 nan 8.370 nan 0.000 0.430 247 P HA -0.138 nan 4.420 nan 0.000 0.217 247 P C -0.102 177.186 177.300 -0.019 0.000 1.148 247 P CA 1.392 64.496 63.100 0.008 0.000 0.828 247 P CB -0.237 31.437 31.700 -0.043 0.000 0.783 248 K N 0.135 120.516 120.400 -0.031 0.000 2.143 248 K HA 0.469 4.790 4.320 0.000 0.000 0.272 248 K C 0.359 176.923 176.600 -0.059 0.000 1.001 248 K CA 0.221 56.470 56.287 -0.064 0.000 0.915 248 K CB -1.300 31.160 32.500 -0.067 0.000 1.047 248 K HN 0.334 nan 8.250 nan 0.000 0.458 249 D N 2.148 122.479 120.400 -0.114 0.000 3.038 249 D HA -0.075 4.565 4.640 0.000 0.000 0.229 249 D C -1.014 175.261 176.300 -0.041 0.000 1.182 249 D CA 0.486 54.410 54.000 -0.126 0.000 0.852 249 D CB -1.785 38.895 40.800 -0.200 0.000 0.932 249 D HN 0.560 nan 8.370 nan 0.000 0.406 250 P HA 0.049 nan 4.420 nan 0.000 0.234 250 P C 1.658 178.977 177.300 0.031 0.000 1.167 250 P CA 0.866 63.983 63.100 0.028 0.000 0.763 250 P CB 0.265 31.986 31.700 0.035 0.000 0.835 251 R N 1.221 121.729 120.500 0.014 0.000 2.052 251 R HA 0.101 4.441 4.340 0.000 0.000 0.224 251 R C 1.082 177.396 176.300 0.024 0.000 1.149 251 R CA 1.148 57.257 56.100 0.015 0.000 0.962 251 R CB -1.446 28.856 30.300 0.003 0.000 0.856 251 R HN -0.150 nan 8.270 nan 0.000 0.433 252 K N 3.421 123.832 120.400 0.018 0.000 2.325 252 K HA -0.032 4.289 4.320 0.000 0.000 0.258 252 K C -2.332 174.310 176.600 0.069 0.000 1.250 252 K CA 0.359 56.668 56.287 0.036 0.000 1.260 252 K CB -1.467 31.051 32.500 0.029 0.000 0.785 252 K HN 0.450 nan 8.250 nan 0.000 0.501 253 P HA 0.649 nan 4.420 nan 0.000 0.299 253 P C -0.997 176.424 177.300 0.202 0.000 1.323 253 P CA -0.892 62.295 63.100 0.146 0.000 0.896 253 P CB 1.039 32.815 31.700 0.126 0.000 1.081 254 I N 0.110 120.781 120.570 0.168 0.000 2.545 254 I HA 0.622 4.792 4.170 0.000 0.000 0.292 254 I C -2.810 173.266 176.117 -0.068 0.000 1.040 254 I CA -3.336 58.000 61.300 0.060 0.000 1.068 254 I CB 1.677 39.661 38.000 -0.027 0.000 1.251 254 I HN 0.089 nan 8.210 nan 0.000 0.424 255 P HA 0.214 nan 4.420 nan 0.000 0.271 255 P C -1.029 176.040 177.300 -0.385 0.000 1.218 255 P CA 0.503 63.257 63.100 -0.578 0.000 0.780 255 P CB 1.006 32.254 31.700 -0.753 0.000 0.901 256 H N 0.200 119.023 119.070 -0.413 0.000 3.110 256 H HA 0.622 5.178 4.556 0.000 0.000 0.277 256 H C -1.141 174.053 175.328 -0.222 0.000 1.571 256 H CA -0.874 55.017 56.048 -0.261 0.000 1.206 256 H CB 1.288 30.832 29.762 -0.362 0.000 1.852 256 H HN 0.186 nan 8.280 nan 0.000 0.629 257 L N 1.815 123.151 121.223 0.189 0.000 2.404 257 L HA 0.225 4.565 4.340 0.000 0.000 0.272 257 L C 0.934 177.731 176.870 -0.122 0.000 0.980 257 L CA -0.456 54.370 54.840 -0.023 0.000 0.836 257 L CB 2.115 44.146 42.059 -0.047 0.000 1.238 257 L HN 0.843 nan 8.230 nan 0.000 0.408 258 T N -0.741 113.752 114.554 -0.101 0.000 2.737 258 T HA -0.175 4.175 4.350 0.000 0.000 0.269 258 T C 1.748 176.406 174.700 -0.070 0.000 1.040 258 T CA 1.464 63.510 62.100 -0.090 0.000 1.142 258 T CB -0.215 68.632 68.868 -0.035 0.000 0.861 258 T HN 0.818 nan 8.240 nan 0.000 0.456 259 G N 0.390 109.161 108.800 -0.049 0.000 2.776 259 G HA2 0.210 4.171 3.960 0.000 0.000 0.209 259 G HA3 0.210 4.171 3.960 0.000 0.000 0.209 259 G C 0.723 175.602 174.900 -0.035 0.000 1.145 259 G CA 0.138 45.220 45.100 -0.029 0.000 0.791 259 G HN 0.475 nan 8.290 nan 0.000 0.530 260 L N 0.058 121.243 121.223 -0.063 0.000 3.289 260 L HA 0.521 4.861 4.340 0.000 0.000 0.291 260 L C 0.132 176.946 176.870 -0.094 0.000 1.279 260 L CA 0.166 54.994 54.840 -0.020 0.000 1.025 260 L CB 0.432 42.495 42.059 0.005 0.000 1.413 260 L HN 0.006 nan 8.230 nan 0.000 0.593 261 L N -1.528 119.602 121.223 -0.154 0.000 2.183 261 L HA 0.818 5.158 4.340 0.000 0.000 0.253 261 L C -0.950 175.840 176.870 -0.133 0.000 1.048 261 L CA -1.195 53.520 54.840 -0.208 0.000 0.890 261 L CB 2.552 44.441 42.059 -0.283 0.000 1.476 261 L HN -0.429 nan 8.230 nan 0.000 0.455 262 V N 0.089 119.919 119.914 -0.138 0.000 2.789 262 V HA 0.257 4.377 4.120 0.000 0.000 0.300 262 V C -2.466 173.523 176.094 -0.176 0.000 1.184 262 V CA -1.072 61.141 62.300 -0.145 0.000 0.930 262 V CB 2.135 33.874 31.823 -0.139 0.000 1.041 262 V HN 0.511 nan 8.190 nan 0.000 0.430 263 P HA 0.169 nan 4.420 nan 0.000 0.274 263 P C 0.014 177.154 177.300 -0.267 0.000 1.264 263 P CA 0.048 62.979 63.100 -0.281 0.000 0.795 263 P CB 0.623 32.038 31.700 -0.474 0.000 1.064 276 S N -1.070 114.641 115.700 0.018 0.000 2.627 276 S HA 1.068 5.538 4.470 0.000 0.000 0.283 276 S C -0.155 174.460 174.600 0.025 0.000 1.127 276 S CA -0.255 57.966 58.200 0.034 0.000 0.863 276 S CB 1.492 64.729 63.200 0.062 0.000 1.121 276 S HN 2.030 nan 8.310 nan 0.000 0.479 277 L N 0.719 121.959 121.223 0.028 0.000 2.511 277 L HA 0.863 5.203 4.340 0.000 0.000 0.252 277 L C 0.622 177.488 176.870 -0.007 0.000 1.542 277 L CA -0.034 54.809 54.840 0.005 0.000 0.822 277 L CB -0.291 41.764 42.059 -0.007 0.000 1.050 277 L HN 1.648 nan 8.230 nan 0.000 0.516 278 A N 0.598 123.406 122.820 -0.020 0.000 2.305 278 A HA 0.547 4.867 4.320 0.000 0.000 0.236 278 A C 2.179 179.718 177.584 -0.076 0.000 1.392 278 A CA 1.132 53.139 52.037 -0.050 0.000 1.205 278 A CB -1.287 17.660 19.000 -0.088 0.000 0.881 278 A HN 2.281 nan 8.150 nan 0.000 0.558 279 L N -1.039 120.146 121.223 -0.065 0.000 2.241 279 L HA -0.199 4.141 4.340 0.000 0.000 0.244 279 L C 1.398 178.238 176.870 -0.050 0.000 1.128 279 L CA 2.548 57.343 54.840 -0.074 0.000 0.849 279 L CB -1.609 40.422 42.059 -0.045 0.000 0.965 279 L HN 1.041 nan 8.230 nan 0.000 0.444 280 S N -4.055 111.645 115.700 -0.001 0.000 2.560 280 S HA 0.745 5.215 4.470 0.000 0.000 0.283 280 S C -0.686 173.950 174.600 0.060 0.000 1.141 280 S CA 0.090 58.317 58.200 0.045 0.000 0.902 280 S CB 0.462 63.701 63.200 0.065 0.000 1.104 280 S HN 2.113 nan 8.310 nan 0.000 0.454 281 L N 3.916 125.182 121.223 0.072 0.000 2.475 281 L HA 0.836 5.176 4.340 0.000 0.000 0.253 281 L C -1.876 175.045 176.870 0.085 0.000 1.198 281 L CA -1.193 53.685 54.840 0.062 0.000 0.814 281 L CB -1.443 40.644 42.059 0.047 0.000 1.134 281 L HN 0.691 nan 8.230 nan 0.000 0.478 282 P HA 0.150 nan 4.420 nan 0.000 0.296 282 P C 0.509 177.885 177.300 0.128 0.000 1.295 282 P CA 0.141 63.315 63.100 0.123 0.000 0.754 282 P CB 0.093 31.803 31.700 0.018 0.000 1.311 283 W N -1.195 120.149 121.300 0.074 0.000 2.452 283 W HA -0.014 4.646 4.660 0.000 0.000 0.313 283 W C 1.802 178.299 176.519 -0.036 0.000 1.176 283 W CA 1.567 58.970 57.345 0.097 0.000 1.350 283 W CB -2.068 27.471 29.460 0.133 0.000 1.148 283 W HN 0.300 nan 8.180 nan 0.000 0.498 284 E N 1.661 121.096 120.200 -1.276 0.000 2.130 284 E HA -0.295 4.055 4.350 0.000 0.000 0.196 284 E C 1.808 178.068 176.600 -0.567 0.000 0.998 284 E CA 2.282 58.010 56.400 -1.120 0.000 0.806 284 E CB -0.941 27.831 29.700 -1.547 0.000 0.738 284 E HN 0.448 nan 8.360 nan 0.000 0.459 285 E N 0.160 120.103 120.200 -0.429 0.000 2.072 285 E HA -0.129 4.221 4.350 0.000 0.000 0.191 285 E C 2.211 178.719 176.600 -0.154 0.000 0.985 285 E CA 1.523 57.785 56.400 -0.229 0.000 0.801 285 E CB -0.168 29.447 29.700 -0.142 0.000 0.750 285 E HN 0.525 nan 8.360 nan 0.000 0.452 286 R N 0.442 120.877 120.500 -0.110 0.000 2.092 286 R HA -0.110 4.230 4.340 0.000 0.000 0.231 286 R C 2.406 178.649 176.300 -0.095 0.000 1.119 286 R CA 1.579 57.671 56.100 -0.014 0.000 0.970 286 R CB -0.289 30.091 30.300 0.135 0.000 0.864 286 R HN 0.205 nan 8.270 nan 0.000 0.440 287 R N -0.125 120.134 120.500 -0.400 0.000 2.280 287 R HA -0.034 4.306 4.340 0.000 0.000 0.207 287 R C 2.149 178.275 176.300 -0.290 0.000 1.043 287 R CA 0.879 56.581 56.100 -0.663 0.000 1.006 287 R CB -0.299 29.135 30.300 -1.444 0.000 0.885 287 R HN 0.096 nan 8.270 nan 0.000 0.467 288 R N 1.355 121.720 120.500 -0.224 0.000 2.075 288 R HA -0.006 4.334 4.340 0.000 0.000 0.220 288 R C 1.987 178.235 176.300 -0.087 0.000 1.118 288 R CA 1.102 57.112 56.100 -0.149 0.000 0.986 288 R CB -0.259 29.946 30.300 -0.159 0.000 0.884 288 R HN 0.183 nan 8.270 nan 0.000 0.439 289 R N 0.775 121.234 120.500 -0.070 0.000 2.159 289 R HA -0.069 4.271 4.340 0.000 0.000 0.237 289 R C 2.031 178.326 176.300 -0.007 0.000 1.131 289 R CA 2.287 58.367 56.100 -0.033 0.000 0.982 289 R CB -1.073 29.222 30.300 -0.008 0.000 0.868 289 R HN 0.287 nan 8.270 nan 0.000 0.453 290 T N -1.158 113.411 114.554 0.026 0.000 2.809 290 T HA -0.020 4.330 4.350 0.000 0.000 0.260 290 T C 2.075 176.811 174.700 0.060 0.000 1.039 290 T CA 1.825 63.982 62.100 0.095 0.000 1.141 290 T CB -0.176 68.828 68.868 0.226 0.000 0.869 290 T HN 0.439 nan 8.240 nan 0.000 0.437 291 R N 1.230 121.761 120.500 0.051 0.000 2.193 291 R HA 0.034 4.374 4.340 0.000 0.000 0.229 291 R C 2.056 178.290 176.300 -0.110 0.000 1.110 291 R CA 1.957 58.056 56.100 -0.001 0.000 0.988 291 R CB -1.076 29.219 30.300 -0.008 0.000 0.871 291 R HN 0.739 nan 8.270 nan 0.000 0.458 292 E N 0.133 120.289 120.200 -0.073 0.000 2.005 292 E HA -0.017 4.333 4.350 0.000 0.000 0.191 292 E C 2.102 178.675 176.600 -0.045 0.000 0.987 292 E CA 1.115 57.479 56.400 -0.059 0.000 0.814 292 E CB -0.177 29.492 29.700 -0.052 0.000 0.772 292 E HN 0.548 nan 8.360 nan 0.000 0.453 293 I N 1.617 122.168 120.570 -0.032 0.000 2.300 293 I HA -0.318 3.852 4.170 0.000 0.000 0.252 293 I C 2.519 178.605 176.117 -0.052 0.000 1.119 293 I CA 1.008 62.326 61.300 0.031 0.000 1.384 293 I CB -0.433 37.578 38.000 0.018 0.000 1.062 293 I HN 0.106 nan 8.210 nan 0.000 0.426 294 A N -0.098 122.559 122.820 -0.272 0.000 1.972 294 A HA -0.187 4.133 4.320 0.000 0.000 0.219 294 A C 2.498 179.878 177.584 -0.340 0.000 1.169 294 A CA 2.217 53.925 52.037 -0.548 0.000 0.635 294 A CB -0.521 17.599 19.000 -1.467 0.000 0.810 294 A HN 0.407 nan 8.150 nan 0.000 0.446 295 S N -1.858 113.722 115.700 -0.201 0.000 2.388 295 S HA -0.088 4.382 4.470 0.000 0.000 0.223 295 S C 1.608 176.189 174.600 -0.032 0.000 1.034 295 S CA 0.598 58.733 58.200 -0.107 0.000 0.963 295 S CB -0.414 62.752 63.200 -0.056 0.000 0.827 295 S HN 0.818 nan 8.310 nan 0.000 0.481 296 W N 2.291 123.508 121.300 -0.139 0.000 2.355 296 W HA -0.035 4.625 4.660 0.000 0.000 0.309 296 W C 1.841 178.295 176.519 -0.108 0.000 1.206 296 W CA 0.958 58.239 57.345 -0.107 0.000 1.284 296 W CB -0.495 28.911 29.460 -0.091 0.000 1.145 296 W HN 0.249 nan 8.180 nan 0.000 0.502 297 I N 1.479 121.980 120.570 -0.114 0.000 2.676 297 I HA -0.085 4.085 4.170 0.000 0.000 0.259 297 I C 2.197 178.167 176.117 -0.246 0.000 1.194 297 I CA 1.666 62.836 61.300 -0.216 0.000 1.473 297 I CB -0.885 37.078 38.000 -0.062 0.000 1.096 297 I HN -0.011 nan 8.210 nan 0.000 0.443 298 G N 1.411 110.082 108.800 -0.215 0.000 2.708 298 G HA2 -0.216 3.744 3.960 0.000 0.000 0.210 298 G HA3 -0.216 3.744 3.960 0.000 0.000 0.210 298 G C 1.675 176.439 174.900 -0.226 0.000 1.141 298 G CA 0.461 45.442 45.100 -0.199 0.000 0.788 298 G HN 0.505 nan 8.290 nan 0.000 0.531 299 R N -0.348 119.966 120.500 -0.311 0.000 2.052 299 R HA 0.097 4.437 4.340 0.000 0.000 0.226 299 R C 2.461 178.572 176.300 -0.315 0.000 1.145 299 R CA 1.321 57.215 56.100 -0.344 0.000 0.952 299 R CB -0.539 29.438 30.300 -0.538 0.000 0.847 299 R HN 0.183 nan 8.270 nan 0.000 0.431 300 R N 1.309 121.595 120.500 -0.357 0.000 2.313 300 R HA 0.238 4.578 4.340 0.000 0.000 0.199 300 R C 2.182 178.357 176.300 -0.208 0.000 0.958 300 R CA 0.880 56.819 56.100 -0.269 0.000 1.047 300 R CB -0.933 29.203 30.300 -0.273 0.000 0.955 300 R HN 0.346 nan 8.270 nan 0.000 0.481 301 L N -0.921 120.175 121.223 -0.212 0.000 2.162 301 L HA 0.211 4.551 4.340 0.000 0.000 0.205 301 L C 1.832 178.577 176.870 -0.209 0.000 1.086 301 L CA 0.926 55.650 54.840 -0.193 0.000 0.778 301 L CB -0.021 41.926 42.059 -0.186 0.000 0.928 301 L HN 0.523 nan 8.230 nan 0.000 0.446 302 G N 1.111 109.792 108.800 -0.198 0.000 2.356 302 G HA2 -0.276 3.684 3.960 0.000 0.000 0.296 302 G HA3 -0.276 3.684 3.960 0.000 0.000 0.296 302 G C -0.072 174.696 174.900 -0.220 0.000 1.022 302 G CA 0.130 45.119 45.100 -0.186 0.000 0.961 302 G HN 0.172 nan 8.290 nan 0.000 0.510 303 L N 0.542 121.619 121.223 -0.244 0.000 2.960 303 L HA 0.608 4.948 4.340 0.000 0.000 0.274 303 L C 1.209 177.965 176.870 -0.191 0.000 1.327 303 L CA 0.710 55.365 54.840 -0.309 0.000 0.860 303 L CB 0.350 42.093 42.059 -0.526 0.000 1.239 303 L HN 1.396 nan 8.230 nan 0.000 0.551 304 G N 0.016 108.733 108.800 -0.138 0.000 2.681 304 G HA2 -0.183 3.777 3.960 0.000 0.000 0.220 304 G HA3 -0.183 3.777 3.960 0.000 0.000 0.220 304 G C -0.134 174.718 174.900 -0.081 0.000 1.353 304 G CA -0.334 44.714 45.100 -0.087 0.000 0.872 304 G HN 0.475 nan 8.290 nan 0.000 0.557 305 T N -0.237 114.287 114.554 -0.051 0.000 2.758 305 T HA 0.657 5.007 4.350 0.000 0.000 0.285 305 T C -2.242 172.447 174.700 -0.019 0.000 0.981 305 T CA -1.190 60.882 62.100 -0.046 0.000 0.965 305 T CB 1.790 70.637 68.868 -0.033 0.000 0.927 305 T HN 0.546 nan 8.240 nan 0.000 0.448 306 P HA 0.138 nan 4.420 nan 0.000 0.264 306 P C -0.279 177.084 177.300 0.106 0.000 1.179 306 P CA 0.180 63.296 63.100 0.026 0.000 0.763 306 P CB 0.350 31.981 31.700 -0.114 0.000 0.806 307 E N 1.336 121.657 120.200 0.201 0.000 2.316 307 E HA 0.385 4.735 4.350 0.000 0.000 0.254 307 E C -0.649 176.071 176.600 0.201 0.000 0.902 307 E CA -0.707 55.797 56.400 0.172 0.000 0.801 307 E CB 1.790 31.548 29.700 0.096 0.000 1.270 307 E HN 0.434 nan 8.360 nan 0.000 0.414 308 A N 2.833 125.777 122.820 0.208 0.000 2.567 308 A HA 0.123 4.443 4.320 0.000 0.000 0.240 308 A C 0.379 177.985 177.584 0.036 0.000 1.053 308 A CA 0.033 52.051 52.037 -0.032 0.000 0.755 308 A CB 0.212 19.129 19.000 -0.138 0.000 0.978 308 A HN 0.324 nan 8.150 nan 0.000 0.507 309 V N 3.069 122.942 119.914 -0.067 0.000 2.432 309 V HA 0.591 4.711 4.120 0.000 0.000 0.275 309 V C 1.028 177.209 176.094 0.144 0.000 1.043 309 V CA 0.233 62.549 62.300 0.027 0.000 0.925 309 V CB 0.695 32.487 31.823 -0.052 0.000 0.985 309 V HN 1.172 nan 8.190 nan 0.000 0.466 310 R N 3.125 123.676 120.500 0.086 0.000 2.407 310 R HA 0.894 5.234 4.340 0.000 0.000 0.303 310 R C -0.186 176.084 176.300 -0.051 0.000 0.981 310 R CA -0.082 55.999 56.100 -0.031 0.000 0.905 310 R CB 1.360 31.593 30.300 -0.112 0.000 1.099 310 R HN 1.340 nan 8.270 nan 0.000 0.459 311 A N 2.395 125.163 122.820 -0.088 0.000 2.393 311 A HA 0.546 4.866 4.320 0.000 0.000 0.306 311 A C -0.815 176.687 177.584 -0.138 0.000 1.050 311 A CA -0.778 51.211 52.037 -0.080 0.000 0.724 311 A CB 1.568 20.540 19.000 -0.046 0.000 1.248 311 A HN 0.795 nan 8.150 nan 0.000 0.424 312 Q N 1.567 121.276 119.800 -0.152 0.000 2.307 312 Q HA 0.488 4.828 4.340 0.000 0.000 0.261 312 Q C -0.060 175.727 176.000 -0.355 0.000 1.051 312 Q CA 0.150 55.793 55.803 -0.267 0.000 0.911 312 Q CB 0.596 29.178 28.738 -0.259 0.000 1.227 312 Q HN 0.769 nan 8.270 nan 0.000 0.418 313 A N 4.049 126.647 122.820 -0.369 0.000 2.305 313 A HA 0.633 4.953 4.320 0.000 0.000 0.322 313 A C -1.208 176.128 177.584 -0.413 0.000 1.187 313 A CA -0.638 51.220 52.037 -0.298 0.000 0.825 313 A CB 0.588 19.491 19.000 -0.161 0.000 1.164 313 A HN 0.593 nan 8.150 nan 0.000 0.498 314 Y N 0.550 120.783 120.300 -0.112 0.000 2.361 314 Y HA 0.563 5.113 4.550 0.000 0.000 0.332 314 Y C 0.695 176.588 175.900 -0.011 0.000 1.101 314 Y CA -0.566 57.521 58.100 -0.023 0.000 1.137 314 Y CB 1.212 39.717 38.460 0.075 0.000 1.207 314 Y HN 0.748 nan 8.280 nan 0.000 0.463 315 R N 2.876 123.449 120.500 0.122 0.000 2.248 315 R HA 0.330 4.670 4.340 0.000 0.000 0.328 315 R C -1.409 174.931 176.300 0.067 0.000 1.067 315 R CA 0.075 56.209 56.100 0.057 0.000 0.924 315 R CB -0.359 29.969 30.300 0.047 0.000 1.013 315 R HN 0.756 nan 8.270 nan 0.000 0.454 316 L N 2.880 124.082 121.223 -0.035 0.000 2.375 316 L HA 0.294 4.634 4.340 0.000 0.000 0.271 316 L C 0.420 177.384 176.870 0.158 0.000 1.107 316 L CA -0.579 54.239 54.840 -0.036 0.000 0.806 316 L CB 1.588 43.393 42.059 -0.423 0.000 1.146 316 L HN 0.709 nan 8.230 nan 0.000 0.447 317 S N 3.025 118.951 115.700 0.377 0.000 2.531 317 S HA 0.167 4.637 4.470 0.000 0.000 0.279 317 S C -0.312 174.512 174.600 0.373 0.000 1.305 317 S CA -0.722 57.666 58.200 0.313 0.000 1.058 317 S CB 0.440 63.786 63.200 0.243 0.000 0.899 317 S HN 0.386 nan 8.310 nan 0.000 0.493 318 I N 7.574 128.282 120.570 0.230 0.000 2.452 318 I HA 0.404 4.574 4.170 0.000 0.000 0.287 318 I C -1.908 174.221 176.117 0.021 0.000 1.079 318 I CA -1.889 59.511 61.300 0.166 0.000 1.387 318 I CB 0.595 38.662 38.000 0.111 0.000 1.404 318 I HN 0.542 nan 8.210 nan 0.000 0.522 319 P HA 0.129 nan 4.420 nan 0.000 0.275 319 P C -1.427 175.788 177.300 -0.142 0.000 1.228 319 P CA -0.544 62.382 63.100 -0.290 0.000 0.786 319 P CB 0.688 31.960 31.700 -0.713 0.000 0.927 320 K N 3.220 123.568 120.400 -0.086 0.000 2.262 320 K HA 0.378 4.698 4.320 0.000 0.000 0.282 320 K C -0.700 175.866 176.600 -0.056 0.000 1.066 320 K CA -0.501 55.756 56.287 -0.050 0.000 0.901 320 K CB -0.002 32.486 32.500 -0.020 0.000 1.089 320 K HN 0.408 nan 8.250 nan 0.000 0.476 321 L N 4.477 125.668 121.223 -0.053 0.000 2.334 321 L HA 0.524 4.864 4.340 0.000 0.000 0.275 321 L C -0.231 176.629 176.870 -0.017 0.000 1.036 321 L CA -0.944 53.866 54.840 -0.051 0.000 0.807 321 L CB 1.652 43.678 42.059 -0.055 0.000 1.231 321 L HN 0.589 nan 8.230 nan 0.000 0.438 322 M N 1.530 121.123 119.600 -0.011 0.000 2.213 322 M HA 0.364 4.844 4.480 0.000 0.000 0.286 322 M C 0.142 176.537 176.300 0.160 0.000 1.008 322 M CA -0.278 55.068 55.300 0.078 0.000 0.937 322 M CB 1.585 34.270 32.600 0.141 0.000 1.600 322 M HN 0.744 nan 8.290 nan 0.000 0.450 323 G N 1.833 110.721 108.800 0.147 0.000 3.434 323 G HA2 0.464 4.424 3.960 0.000 0.000 0.192 323 G HA3 0.464 4.424 3.960 0.000 0.000 0.192 323 G C 0.999 175.994 174.900 0.157 0.000 1.704 323 G CA 0.686 45.886 45.100 0.165 0.000 0.936 323 G HN 0.674 nan 8.290 nan 0.000 0.623 324 R N -0.583 119.943 120.500 0.044 0.000 2.112 324 R HA 0.379 4.719 4.340 0.000 0.000 0.216 324 R C 1.614 177.917 176.300 0.005 0.000 1.080 324 R CA 1.038 57.134 56.100 -0.007 0.000 0.996 324 R CB -0.523 29.741 30.300 -0.060 0.000 0.902 324 R HN 0.501 nan 8.270 nan 0.000 0.449 325 R N -1.229 119.274 120.500 0.006 0.000 2.902 325 R HA 0.691 5.031 4.340 0.000 0.000 0.258 325 R C -0.321 175.991 176.300 0.020 0.000 1.071 325 R CA -0.388 55.715 56.100 0.006 0.000 1.024 325 R CB 1.875 32.168 30.300 -0.013 0.000 1.184 325 R HN 0.457 nan 8.270 nan 0.000 0.492 326 A N 0.884 123.714 122.820 0.016 0.000 2.547 326 A HA 0.274 4.594 4.320 0.000 0.000 0.233 326 A C -0.342 177.243 177.584 0.002 0.000 1.067 326 A CA 0.141 52.186 52.037 0.014 0.000 0.763 326 A CB 0.453 19.457 19.000 0.006 0.000 1.007 326 A HN 0.362 nan 8.150 nan 0.000 0.506 327 V N 1.162 121.074 119.914 -0.003 0.000 3.048 327 V HA 0.424 4.544 4.120 0.000 0.000 0.303 327 V C 0.880 176.958 176.094 -0.025 0.000 1.214 327 V CA 0.248 62.539 62.300 -0.014 0.000 0.984 327 V CB 2.438 34.256 31.823 -0.008 0.000 1.054 327 V HN 1.398 nan 8.190 nan 0.000 0.430 328 S N 3.698 119.379 115.700 -0.032 0.000 2.458 328 S HA 0.184 4.654 4.470 0.000 0.000 0.223 328 S C 0.396 174.963 174.600 -0.056 0.000 1.019 328 S CA 0.448 58.624 58.200 -0.040 0.000 0.937 328 S CB -0.111 63.069 63.200 -0.035 0.000 0.788 328 S HN 0.842 nan 8.310 nan 0.000 0.511 329 K N -0.052 120.313 120.400 -0.058 0.000 2.482 329 K HA 0.551 4.871 4.320 0.000 0.000 0.257 329 K C -3.099 173.466 176.600 -0.058 0.000 0.969 329 K CA -2.205 54.038 56.287 -0.073 0.000 0.842 329 K CB 1.428 33.871 32.500 -0.096 0.000 1.359 329 K HN -0.294 nan 8.250 nan 0.000 0.441 330 P HA -0.178 nan 4.420 nan 0.000 0.218 330 P C 1.146 178.431 177.300 -0.025 0.000 1.149 330 P CA 1.829 64.912 63.100 -0.028 0.000 0.817 330 P CB 0.042 31.729 31.700 -0.022 0.000 0.785 331 A N 0.406 123.186 122.820 -0.066 0.000 1.917 331 A HA -0.237 4.083 4.320 0.000 0.000 0.219 331 A C 1.802 179.349 177.584 -0.062 0.000 1.182 331 A CA 2.054 54.038 52.037 -0.088 0.000 0.633 331 A CB -1.504 17.398 19.000 -0.163 0.000 0.819 331 A HN 0.132 nan 8.150 nan 0.000 0.448 332 D N 0.019 120.384 120.400 -0.059 0.000 2.392 332 D HA 0.074 4.714 4.640 0.000 0.000 0.228 332 D C 1.683 177.963 176.300 -0.033 0.000 1.003 332 D CA 0.962 54.933 54.000 -0.048 0.000 0.917 332 D CB -0.166 40.606 40.800 -0.046 0.000 0.890 332 D HN 0.508 nan 8.370 nan 0.000 0.532 333 A N 0.092 122.910 122.820 -0.003 0.000 2.169 333 A HA 0.049 4.369 4.320 0.000 0.000 0.212 333 A C 2.034 179.593 177.584 -0.041 0.000 1.153 333 A CA 0.072 52.119 52.037 0.016 0.000 0.756 333 A CB -0.251 18.825 19.000 0.127 0.000 0.813 333 A HN 0.202 nan 8.150 nan 0.000 0.471 334 L N -1.494 119.732 121.223 0.004 0.000 2.599 334 L HA -0.009 4.331 4.340 0.000 0.000 0.230 334 L C 2.807 179.634 176.870 -0.072 0.000 1.141 334 L CA 0.805 55.642 54.840 -0.004 0.000 0.877 334 L CB -0.306 41.799 42.059 0.076 0.000 1.009 334 L HN 0.562 nan 8.230 nan 0.000 0.447 335 R N -1.124 119.323 120.500 -0.087 0.000 2.470 335 R HA 0.184 4.524 4.340 0.000 0.000 0.210 335 R C 1.623 177.861 176.300 -0.104 0.000 0.873 335 R CA 0.759 56.814 56.100 -0.074 0.000 1.015 335 R CB -0.486 29.792 30.300 -0.037 0.000 1.348 335 R HN 0.077 nan 8.270 nan 0.000 0.650 336 V N -0.146 119.700 119.914 -0.113 0.000 2.599 336 V HA 0.463 4.583 4.120 0.000 0.000 0.245 336 V C 1.256 177.246 176.094 -0.172 0.000 1.046 336 V CA 1.254 63.488 62.300 -0.109 0.000 1.065 336 V CB 0.223 32.004 31.823 -0.070 0.000 0.703 336 V HN 1.120 nan 8.190 nan 0.000 0.464 337 G N -0.472 108.164 108.800 -0.275 0.000 2.402 337 G HA2 0.069 4.029 3.960 0.000 0.000 0.666 337 G HA3 0.069 4.029 3.960 0.000 0.000 0.666 337 G C -0.906 173.793 174.900 -0.334 0.000 1.402 337 G CA -1.048 43.783 45.100 -0.448 0.000 0.920 337 G HN -0.009 nan 8.290 nan 0.000 0.651 338 F N 0.254 120.137 119.950 -0.113 0.000 2.406 338 F HA 0.494 5.021 4.527 0.000 0.000 0.327 338 F C 1.603 177.404 175.800 0.001 0.000 1.153 338 F CA -0.508 57.452 58.000 -0.067 0.000 1.218 338 F CB 0.400 39.324 39.000 -0.127 0.000 1.215 338 F HN 0.610 nan 8.300 nan 0.000 0.570 339 Y N 0.812 121.203 120.300 0.151 0.000 2.200 339 Y HA 0.045 4.595 4.550 0.000 0.000 0.290 339 Y C 0.838 176.774 175.900 0.059 0.000 1.137 339 Y CA 1.514 59.655 58.100 0.068 0.000 1.163 339 Y CB 0.274 38.764 38.460 0.050 0.000 0.988 339 Y HN 0.234 nan 8.280 nan 0.000 0.518 340 R N 0.234 120.827 120.500 0.156 0.000 2.628 340 R HA 0.664 5.004 4.340 0.000 0.000 0.288 340 R C -1.109 175.249 176.300 0.098 0.000 0.980 340 R CA -0.234 55.894 56.100 0.047 0.000 0.891 340 R CB 1.631 31.999 30.300 0.114 0.000 1.188 340 R HN 0.206 nan 8.270 nan 0.000 0.450 341 A N 1.873 124.735 122.820 0.070 0.000 2.387 341 A HA 0.842 5.162 4.320 0.000 0.000 0.303 341 A C -1.050 176.595 177.584 0.101 0.000 1.145 341 A CA -0.490 51.616 52.037 0.115 0.000 0.801 341 A CB 2.030 21.095 19.000 0.108 0.000 1.342 341 A HN 0.629 nan 8.150 nan 0.000 0.440 342 Q N -0.296 119.597 119.800 0.156 0.000 2.702 342 Q HA 0.248 4.588 4.340 0.000 0.000 0.289 342 Q C -1.672 174.446 176.000 0.197 0.000 0.923 342 Q CA -0.970 54.914 55.803 0.135 0.000 0.787 342 Q CB 1.349 30.147 28.738 0.100 0.000 1.476 342 Q HN 0.702 nan 8.270 nan 0.000 0.402 343 E N 1.540 121.819 120.200 0.132 0.000 2.265 343 E HA 0.162 4.512 4.350 0.000 0.000 0.272 343 E C -0.647 176.011 176.600 0.096 0.000 1.067 343 E CA 0.244 56.710 56.400 0.111 0.000 0.900 343 E CB 1.167 30.904 29.700 0.062 0.000 1.017 343 E HN 0.370 nan 8.360 nan 0.000 0.431 344 T N 0.998 115.594 114.554 0.070 0.000 2.885 344 T HA 0.643 4.993 4.350 0.000 0.000 0.285 344 T C -1.206 173.467 174.700 -0.045 0.000 1.019 344 T CA -0.625 61.493 62.100 0.030 0.000 1.010 344 T CB 1.070 69.998 68.868 0.101 0.000 1.022 344 T HN 0.429 nan 8.240 nan 0.000 0.466 345 A N 3.925 126.757 122.820 0.021 0.000 2.335 345 A HA 0.743 5.063 4.320 0.000 0.000 0.304 345 A C -1.736 175.911 177.584 0.105 0.000 1.118 345 A CA -0.550 51.538 52.037 0.084 0.000 0.757 345 A CB 0.548 19.611 19.000 0.106 0.000 1.188 345 A HN 0.579 nan 8.150 nan 0.000 0.460 346 L N 2.025 123.350 121.223 0.170 0.000 2.404 346 L HA 0.723 5.063 4.340 0.000 0.000 0.272 346 L C 0.429 177.536 176.870 0.394 0.000 0.980 346 L CA -0.494 54.485 54.840 0.231 0.000 0.836 346 L CB 1.195 43.398 42.059 0.240 0.000 1.238 346 L HN 0.824 nan 8.230 nan 0.000 0.408 347 A N 3.598 126.586 122.820 0.279 0.000 2.295 347 A HA 0.858 5.178 4.320 0.000 0.000 0.318 347 A C -0.805 176.843 177.584 0.107 0.000 1.134 347 A CA -0.484 51.716 52.037 0.272 0.000 0.827 347 A CB 1.141 20.216 19.000 0.126 0.000 1.136 347 A HN 0.729 nan 8.150 nan 0.000 0.493 348 L N 1.493 122.660 121.223 -0.094 0.000 2.346 348 L HA 0.796 5.136 4.340 0.000 0.000 0.274 348 L C -1.442 175.295 176.870 -0.222 0.000 1.007 348 L CA -0.942 53.639 54.840 -0.432 0.000 0.818 348 L CB 1.684 42.982 42.059 -1.268 0.000 1.284 348 L HN 0.693 nan 8.230 nan 0.000 0.424 349 L N 4.764 125.887 121.223 -0.167 0.000 2.349 349 L HA 0.562 4.902 4.340 0.000 0.000 0.278 349 L C -0.811 176.005 176.870 -0.090 0.000 0.996 349 L CA -0.170 54.629 54.840 -0.069 0.000 0.825 349 L CB 1.478 43.539 42.059 0.003 0.000 1.243 349 L HN 0.687 nan 8.230 nan 0.000 0.412 350 R N 4.443 124.904 120.500 -0.066 0.000 2.295 350 R HA 0.555 4.895 4.340 0.000 0.000 0.324 350 R C -0.708 175.590 176.300 -0.003 0.000 0.968 350 R CA -0.406 55.659 56.100 -0.058 0.000 0.837 350 R CB 0.856 31.110 30.300 -0.076 0.000 1.133 350 R HN 0.824 nan 8.270 nan 0.000 0.450 351 L N 5.019 126.238 121.223 -0.006 0.000 3.094 351 L HA 0.245 4.585 4.340 0.000 0.000 0.254 351 L C -0.131 176.764 176.870 0.041 0.000 1.298 351 L CA -0.049 54.809 54.840 0.029 0.000 1.050 351 L CB 0.114 42.152 42.059 -0.035 0.000 1.420 351 L HN 0.767 nan 8.230 nan 0.000 0.548 352 D N -2.102 118.315 120.400 0.027 0.000 2.797 352 D HA 0.201 4.841 4.640 0.000 0.000 0.151 352 D C 0.874 177.181 176.300 0.010 0.000 1.472 352 D CA 0.695 54.705 54.000 0.017 0.000 1.553 352 D CB 0.066 40.870 40.800 0.006 0.000 1.590 352 D HN -0.028 nan 8.370 nan 0.000 0.217 353 G N 0.627 109.426 108.800 -0.001 0.000 3.407 353 G HA2 0.588 4.548 3.960 0.000 0.000 0.187 353 G HA3 0.588 4.548 3.960 0.000 0.000 0.187 353 G C 0.180 175.074 174.900 -0.010 0.000 1.262 353 G CA 0.107 45.205 45.100 -0.005 0.000 0.808 353 G HN 0.555 nan 8.290 nan 0.000 0.687 357 W N 0.794 122.051 121.300 -0.071 0.000 2.261 357 W HA 0.537 5.197 4.660 0.000 0.000 0.323 357 W C -1.760 174.644 176.519 -0.192 0.000 1.243 357 W CA -1.584 55.695 57.345 -0.111 0.000 1.210 357 W CB 0.242 29.644 29.460 -0.097 0.000 1.149 357 W HN 0.264 nan 8.180 nan 0.000 0.562 358 P HA -0.054 nan 4.420 nan 0.000 0.269 358 P C 0.758 177.823 177.300 -0.392 0.000 1.209 358 P CA 0.072 62.961 63.100 -0.351 0.000 0.776 358 P CB 0.973 32.255 31.700 -0.697 0.000 0.876 359 E N 2.091 122.074 120.200 -0.361 0.000 2.058 359 E HA -0.210 4.140 4.350 0.000 0.000 0.194 359 E C 1.509 177.979 176.600 -0.217 0.000 0.997 359 E CA 1.631 57.900 56.400 -0.219 0.000 0.801 359 E CB -0.693 28.943 29.700 -0.108 0.000 0.746 359 E HN 0.551 nan 8.360 nan 0.000 0.450 360 F N -0.436 119.431 119.950 -0.140 0.000 2.451 360 F HA 0.045 4.572 4.527 0.000 0.000 0.299 360 F C 1.647 177.296 175.800 -0.251 0.000 1.101 360 F CA 0.616 58.478 58.000 -0.229 0.000 1.436 360 F CB -0.658 38.095 39.000 -0.412 0.000 1.074 360 F HN -0.006 nan 8.300 nan 0.000 0.553 361 L N -0.014 121.050 121.223 -0.264 0.000 2.127 361 L HA 0.047 4.387 4.340 0.000 0.000 0.203 361 L C 2.840 179.747 176.870 0.062 0.000 1.080 361 L CA 0.970 55.839 54.840 0.050 0.000 0.768 361 L CB -0.529 41.589 42.059 0.098 0.000 0.924 361 L HN 0.093 nan 8.230 nan 0.000 0.444 362 R N 0.225 120.685 120.500 -0.066 0.000 2.115 362 R HA -0.160 4.180 4.340 0.000 0.000 0.230 362 R C 2.406 178.649 176.300 -0.096 0.000 1.111 362 R CA 1.173 57.156 56.100 -0.196 0.000 0.976 362 R CB -0.007 30.168 30.300 -0.208 0.000 0.870 362 R HN 0.164 nan 8.270 nan 0.000 0.445 363 R N -0.217 120.276 120.500 -0.013 0.000 2.064 363 R HA -0.056 4.284 4.340 0.000 0.000 0.228 363 R C 2.183 178.545 176.300 0.104 0.000 1.144 363 R CA 1.545 57.669 56.100 0.040 0.000 0.932 363 R CB -0.393 29.949 30.300 0.070 0.000 0.833 363 R HN 0.273 nan 8.270 nan 0.000 0.429 364 A N 1.107 124.046 122.820 0.200 0.000 1.892 364 A HA -0.204 4.116 4.320 0.000 0.000 0.218 364 A C 2.228 179.952 177.584 0.233 0.000 1.188 364 A CA 1.619 53.818 52.037 0.271 0.000 0.631 364 A CB -0.826 18.473 19.000 0.499 0.000 0.822 364 A HN 0.375 nan 8.150 nan 0.000 0.447 365 L N -0.879 120.481 121.223 0.228 0.000 2.079 365 L HA -0.196 4.144 4.340 0.000 0.000 0.210 365 L C 2.568 179.605 176.870 0.279 0.000 1.081 365 L CA 1.068 56.076 54.840 0.280 0.000 0.752 365 L CB -0.431 41.694 42.059 0.110 0.000 0.896 365 L HN 0.401 nan 8.230 nan 0.000 0.433 366 L N -1.099 120.188 121.223 0.107 0.000 2.072 366 L HA -0.159 4.181 4.340 0.000 0.000 0.205 366 L C 2.846 179.777 176.870 0.102 0.000 1.079 366 L CA 0.907 55.789 54.840 0.070 0.000 0.752 366 L CB -0.491 41.561 42.059 -0.011 0.000 0.906 366 L HN 0.232 nan 8.230 nan 0.000 0.436 367 R N 0.541 121.092 120.500 0.085 0.000 2.082 367 R HA -0.199 4.141 4.340 0.000 0.000 0.234 367 R C 2.308 178.611 176.300 0.005 0.000 1.136 367 R CA 1.766 57.895 56.100 0.047 0.000 0.935 367 R CB -0.349 29.986 30.300 0.058 0.000 0.842 367 R HN 0.329 nan 8.270 nan 0.000 0.430 368 A N 0.131 122.959 122.820 0.013 0.000 1.940 368 A HA -0.177 4.143 4.320 0.000 0.000 0.219 368 A C 2.015 179.367 177.584 -0.386 0.000 1.176 368 A CA 1.425 53.339 52.037 -0.204 0.000 0.631 368 A CB -0.684 18.266 19.000 -0.083 0.000 0.814 368 A HN 0.403 nan 8.150 nan 0.000 0.446 369 F N -0.044 119.851 119.950 -0.092 0.000 2.367 369 F HA 0.098 4.625 4.527 0.000 0.000 0.298 369 F C 2.544 178.297 175.800 -0.078 0.000 1.094 369 F CA 0.808 58.780 58.000 -0.048 0.000 1.409 369 F CB -0.523 38.504 39.000 0.044 0.000 1.064 369 F HN 0.283 nan 8.300 nan 0.000 0.528 370 G N -0.342 108.505 108.800 0.078 0.000 2.404 370 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 370 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 370 G C 1.853 176.724 174.900 -0.049 0.000 1.174 370 G CA 0.666 45.779 45.100 0.022 0.000 0.780 370 G HN 0.387 nan 8.290 nan 0.000 0.537 371 A N 0.115 122.868 122.820 -0.111 0.000 2.225 371 A HA 0.194 4.514 4.320 0.000 0.000 0.215 371 A C 2.181 179.642 177.584 -0.205 0.000 1.164 371 A CA 1.890 53.833 52.037 -0.157 0.000 0.710 371 A CB -0.125 18.759 19.000 -0.194 0.000 0.780 371 A HN 0.278 nan 8.150 nan 0.000 0.473 372 S N -2.010 113.552 115.700 -0.229 0.000 2.603 372 S HA 0.390 4.860 4.470 0.000 0.000 0.232 372 S C 1.215 175.766 174.600 -0.082 0.000 1.016 372 S CA 0.337 58.406 58.200 -0.218 0.000 0.976 372 S CB 0.454 63.416 63.200 -0.397 0.000 0.921 372 S HN 1.491 nan 8.310 nan 0.000 0.516 373 G N 2.002 110.778 108.800 -0.039 0.000 2.258 373 G HA2 -0.195 3.765 3.960 0.000 0.000 0.274 373 G HA3 -0.195 3.765 3.960 0.000 0.000 0.274 373 G C 0.099 175.033 174.900 0.056 0.000 1.021 373 G CA 0.365 45.469 45.100 0.007 0.000 0.798 373 G HN 0.858 nan 8.290 nan 0.000 0.507 374 A N -0.366 122.529 122.820 0.125 0.000 2.320 374 A HA 0.891 5.211 4.320 0.000 0.000 0.334 374 A C 0.578 178.329 177.584 0.278 0.000 1.147 374 A CA 0.504 52.677 52.037 0.226 0.000 0.820 374 A CB 1.148 20.349 19.000 0.334 0.000 1.218 374 A HN 1.779 nan 8.150 nan 0.000 0.482 375 S N 0.728 116.532 115.700 0.174 0.000 2.537 375 S HA 0.584 5.054 4.470 0.000 0.000 0.275 375 S C -0.586 173.983 174.600 -0.051 0.000 1.272 375 S CA -0.441 57.797 58.200 0.063 0.000 1.050 375 S CB 0.883 64.097 63.200 0.024 0.000 0.961 375 S HN 1.309 nan 8.310 nan 0.000 0.496 376 L N 2.513 123.609 121.223 -0.211 0.000 2.381 376 L HA 0.617 4.957 4.340 0.000 0.000 0.274 376 L C -0.521 176.160 176.870 -0.315 0.000 0.988 376 L CA -0.527 54.020 54.840 -0.489 0.000 0.824 376 L CB 1.788 43.278 42.059 -0.948 0.000 1.263 376 L HN 0.824 nan 8.230 nan 0.000 0.410 377 R N 4.841 125.191 120.500 -0.250 0.000 2.532 377 R HA 0.716 5.056 4.340 0.000 0.000 0.295 377 R C -1.510 174.679 176.300 -0.184 0.000 0.968 377 R CA -0.894 55.087 56.100 -0.197 0.000 0.916 377 R CB 1.452 31.695 30.300 -0.096 0.000 1.124 377 R HN 0.485 nan 8.270 nan 0.000 0.463 378 L N 4.850 125.922 121.223 -0.251 0.000 2.377 378 L HA 0.375 4.715 4.340 0.000 0.000 0.270 378 L C 0.011 176.893 176.870 0.021 0.000 0.991 378 L CA -0.327 54.427 54.840 -0.142 0.000 0.851 378 L CB 0.832 42.562 42.059 -0.548 0.000 1.218 378 L HN 0.633 nan 8.230 nan 0.000 0.420 379 H N 1.166 120.380 119.070 0.240 0.000 2.500 379 H HA 0.521 5.077 4.556 0.000 0.000 0.351 379 H C -0.177 175.332 175.328 0.300 0.000 1.281 379 H CA -0.302 55.867 56.048 0.202 0.000 1.368 379 H CB 2.564 32.395 29.762 0.116 0.000 1.616 379 H HN 0.390 nan 8.280 nan 0.000 0.591 380 T N 0.887 115.619 114.554 0.297 0.000 2.916 380 T HA 0.299 4.649 4.350 0.000 0.000 0.298 380 T C -0.663 174.138 174.700 0.168 0.000 1.031 380 T CA -0.816 61.375 62.100 0.151 0.000 0.993 380 T CB 0.623 69.553 68.868 0.104 0.000 1.045 380 T HN 0.315 nan 8.240 nan 0.000 0.454 381 L N 6.046 127.345 121.223 0.127 0.000 2.385 381 L HA 0.296 4.636 4.340 0.000 0.000 0.281 381 L C 1.486 178.492 176.870 0.227 0.000 1.106 381 L CA -0.346 54.621 54.840 0.213 0.000 0.856 381 L CB 0.501 42.602 42.059 0.069 0.000 1.186 381 L HN 0.918 nan 8.230 nan 0.000 0.453 382 H N 1.593 120.684 119.070 0.034 0.000 2.562 382 H HA 0.399 4.955 4.556 0.000 0.000 0.272 382 H C 0.416 175.788 175.328 0.073 0.000 1.019 382 H CA -0.015 56.060 56.048 0.044 0.000 1.160 382 H CB -0.004 29.777 29.762 0.033 0.000 1.334 382 H HN 0.620 nan 8.280 nan 0.000 0.611 383 A N 0.781 123.626 122.820 0.042 0.000 2.593 383 A HA 0.432 4.752 4.320 0.000 0.000 0.290 383 A C -1.641 176.107 177.584 0.273 0.000 1.126 383 A CA -0.867 51.246 52.037 0.127 0.000 0.695 383 A CB 1.713 20.756 19.000 0.073 0.000 1.290 383 A HN 0.453 nan 8.150 nan 0.000 0.414 384 H N 0.287 119.438 119.070 0.134 0.000 2.679 384 H HA 0.423 4.979 4.556 0.000 0.000 0.360 384 H C -2.488 172.673 175.328 -0.278 0.000 1.105 384 H CA -1.746 54.285 56.048 -0.028 0.000 1.196 384 H CB 2.410 32.141 29.762 -0.053 0.000 1.636 384 H HN 0.238 nan 8.280 nan 0.000 0.531 385 P HA -0.237 nan 4.420 nan 0.000 0.221 385 P C 1.182 178.309 177.300 -0.288 0.000 1.153 385 P CA 2.436 64.860 63.100 -1.127 0.000 0.858 385 P CB 0.090 31.164 31.700 -1.044 0.000 0.783 386 S N -2.002 113.805 115.700 0.178 0.000 2.727 386 S HA -0.060 4.410 4.470 0.000 0.000 0.226 386 S C 1.106 175.718 174.600 0.020 0.000 0.963 386 S CA 0.310 58.554 58.200 0.074 0.000 0.950 386 S CB -0.893 62.325 63.200 0.029 0.000 0.779 386 S HN 0.323 nan 8.310 nan 0.000 0.532 387 Q N 0.916 120.742 119.800 0.043 0.000 2.186 387 Q HA 0.394 4.734 4.340 0.000 0.000 0.241 387 Q C 1.386 177.418 176.000 0.053 0.000 0.849 387 Q CA -0.121 55.708 55.803 0.043 0.000 1.053 387 Q CB 0.488 29.267 28.738 0.068 0.000 1.146 387 Q HN 0.577 nan 8.270 nan 0.000 0.475 388 G N 1.811 110.634 108.800 0.040 0.000 2.660 388 G HA2 -0.422 3.538 3.960 0.000 0.000 0.321 388 G HA3 -0.422 3.538 3.960 0.000 0.000 0.321 388 G C 0.789 175.742 174.900 0.087 0.000 1.246 388 G CA 0.679 45.807 45.100 0.047 0.000 1.000 388 G HN 0.351 nan 8.290 nan 0.000 0.550 389 L N 0.961 122.218 121.223 0.057 0.000 2.081 389 L HA -0.090 4.251 4.340 0.000 0.000 0.212 389 L C 3.579 180.482 176.870 0.055 0.000 1.080 389 L CA 2.180 57.049 54.840 0.049 0.000 0.754 389 L CB -0.931 41.144 42.059 0.027 0.000 0.893 389 L HN 0.767 nan 8.230 nan 0.000 0.433 390 A N 0.104 122.961 122.820 0.062 0.000 1.892 390 A HA -0.307 4.013 4.320 0.000 0.000 0.218 390 A C 2.154 179.768 177.584 0.050 0.000 1.188 390 A CA 1.982 54.048 52.037 0.049 0.000 0.631 390 A CB -0.949 18.086 19.000 0.058 0.000 0.822 390 A HN 0.378 nan 8.150 nan 0.000 0.447 391 F N 0.620 120.536 119.950 -0.057 0.000 2.027 391 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 391 F C 2.355 178.100 175.800 -0.091 0.000 1.129 391 F CA 2.540 60.490 58.000 -0.083 0.000 1.195 391 F CB -0.582 38.382 39.000 -0.061 0.000 0.960 391 F HN 0.225 nan 8.300 nan 0.000 0.485 392 R N 0.665 121.138 120.500 -0.046 0.000 2.119 392 R HA -0.258 4.082 4.340 0.000 0.000 0.246 392 R C 2.194 178.389 176.300 -0.175 0.000 1.146 392 R CA 2.018 58.036 56.100 -0.137 0.000 0.962 392 R CB -0.879 29.416 30.300 -0.007 0.000 0.863 392 R HN 0.492 nan 8.270 nan 0.000 0.442 393 E N -0.232 119.902 120.200 -0.110 0.000 2.023 393 E HA -0.170 4.180 4.350 0.000 0.000 0.196 393 E C 1.786 178.302 176.600 -0.140 0.000 1.003 393 E CA 2.037 58.383 56.400 -0.088 0.000 0.809 393 E CB -0.632 29.044 29.700 -0.041 0.000 0.755 393 E HN 0.371 nan 8.360 nan 0.000 0.449 394 A N 0.843 123.517 122.820 -0.243 0.000 1.892 394 A HA -0.199 4.121 4.320 0.000 0.000 0.218 394 A C 2.431 179.813 177.584 -0.337 0.000 1.188 394 A CA 1.917 53.701 52.037 -0.421 0.000 0.631 394 A CB -1.041 17.506 19.000 -0.754 0.000 0.822 394 A HN 0.383 nan 8.150 nan 0.000 0.447 395 L N -1.258 119.708 121.223 -0.428 0.000 2.042 395 L HA -0.232 4.108 4.340 0.000 0.000 0.210 395 L C 2.830 179.595 176.870 -0.176 0.000 1.076 395 L CA 2.010 56.648 54.840 -0.336 0.000 0.749 395 L CB -0.559 41.242 42.059 -0.429 0.000 0.893 395 L HN 0.487 nan 8.230 nan 0.000 0.432 396 R N 0.795 121.209 120.500 -0.144 0.000 2.092 396 R HA -0.180 4.160 4.340 0.000 0.000 0.231 396 R C 2.653 178.924 176.300 -0.049 0.000 1.119 396 R CA 1.814 57.865 56.100 -0.082 0.000 0.970 396 R CB -0.132 30.130 30.300 -0.064 0.000 0.864 396 R HN 0.271 nan 8.270 nan 0.000 0.440 397 K N 0.438 120.823 120.400 -0.026 0.000 1.985 397 K HA -0.019 4.301 4.320 0.000 0.000 0.210 397 K C 2.142 178.743 176.600 0.002 0.000 1.047 397 K CA 1.546 57.845 56.287 0.019 0.000 0.932 397 K CB -1.331 31.233 32.500 0.107 0.000 0.716 397 K HN 0.455 nan 8.250 nan 0.000 0.439 398 A N 1.131 123.961 122.820 0.018 0.000 1.940 398 A HA -0.208 4.112 4.320 0.000 0.000 0.219 398 A C 2.318 179.838 177.584 -0.106 0.000 1.176 398 A CA 2.105 54.113 52.037 -0.047 0.000 0.631 398 A CB -0.308 18.689 19.000 -0.005 0.000 0.814 398 A HN 0.440 nan 8.150 nan 0.000 0.446 399 K N -0.061 120.293 120.400 -0.077 0.000 2.097 399 K HA -0.125 4.195 4.320 0.000 0.000 0.205 399 K C 1.856 178.423 176.600 -0.054 0.000 1.050 399 K CA 1.664 57.912 56.287 -0.065 0.000 0.938 399 K CB -0.271 32.196 32.500 -0.054 0.000 0.718 399 K HN 0.692 nan 8.250 nan 0.000 0.442 400 E N 0.430 120.603 120.200 -0.045 0.000 2.077 400 E HA -0.147 4.203 4.350 0.000 0.000 0.193 400 E C 1.307 177.887 176.600 -0.034 0.000 0.989 400 E CA 0.863 57.245 56.400 -0.030 0.000 0.800 400 E CB 0.067 29.756 29.700 -0.019 0.000 0.746 400 E HN 0.345 nan 8.360 nan 0.000 0.452 401 E N -0.766 119.400 120.200 -0.056 0.000 2.505 401 E HA -0.049 4.301 4.350 0.000 0.000 0.197 401 E C 0.765 177.324 176.600 -0.068 0.000 1.111 401 E CA 0.282 56.649 56.400 -0.055 0.000 0.887 401 E CB 0.164 29.816 29.700 -0.080 0.000 0.913 401 E HN 0.442 nan 8.360 nan 0.000 0.517 402 G N 0.483 109.243 108.800 -0.066 0.000 2.194 402 G HA2 -0.276 3.684 3.960 0.000 0.000 0.236 402 G HA3 -0.276 3.684 3.960 0.000 0.000 0.236 402 G C 0.468 175.331 174.900 -0.063 0.000 0.987 402 G CA 0.075 45.153 45.100 -0.037 0.000 0.635 402 G HN 0.180 nan 8.290 nan 0.000 0.520 403 V N 1.385 121.205 119.914 -0.157 0.000 2.557 403 V HA 0.113 4.233 4.120 0.000 0.000 0.301 403 V C 1.399 177.474 176.094 -0.032 0.000 1.026 403 V CA 1.679 63.906 62.300 -0.122 0.000 1.137 403 V CB 1.187 32.910 31.823 -0.167 0.000 0.917 403 V HN 0.590 nan 8.190 nan 0.000 0.484 404 Q N 3.284 123.091 119.800 0.012 0.000 2.281 404 Q HA 0.572 4.912 4.340 0.000 0.000 0.215 404 Q C 0.337 176.366 176.000 0.047 0.000 0.867 404 Q CA 0.562 56.382 55.803 0.029 0.000 0.940 404 Q CB 1.180 29.941 28.738 0.038 0.000 1.111 404 Q HN 0.904 nan 8.270 nan 0.000 0.513 405 A N 0.012 122.867 122.820 0.059 0.000 2.569 405 A HA 0.566 4.886 4.320 0.000 0.000 0.292 405 A C -1.626 176.013 177.584 0.092 0.000 1.032 405 A CA -0.587 51.497 52.037 0.079 0.000 0.669 405 A CB 1.154 20.197 19.000 0.071 0.000 1.290 405 A HN -0.039 nan 8.150 nan 0.000 0.422 406 V N 1.257 121.229 119.914 0.097 0.000 2.656 406 V HA 0.647 4.767 4.120 0.000 0.000 0.307 406 V C -0.686 175.455 176.094 0.079 0.000 1.051 406 V CA -0.608 61.740 62.300 0.079 0.000 0.893 406 V CB 1.554 33.407 31.823 0.050 0.000 0.999 406 V HN 1.015 nan 8.190 nan 0.000 0.426 407 L N 5.445 126.690 121.223 0.037 0.000 2.325 407 L HA 0.736 5.076 4.340 0.000 0.000 0.279 407 L C -0.490 176.355 176.870 -0.041 0.000 1.054 407 L CA 0.044 54.894 54.840 0.017 0.000 0.804 407 L CB 1.724 43.779 42.059 -0.007 0.000 1.200 407 L HN 0.448 nan 8.230 nan 0.000 0.436 408 V N 6.691 126.606 119.914 0.001 0.000 2.357 408 V HA 0.357 4.477 4.120 0.000 0.000 0.281 408 V C -0.142 175.947 176.094 -0.008 0.000 1.015 408 V CA -0.510 61.781 62.300 -0.014 0.000 0.827 408 V CB 1.324 33.158 31.823 0.019 0.000 1.018 408 V HN 0.611 nan 8.190 nan 0.000 0.432 409 L N 4.434 125.630 121.223 -0.045 0.000 2.290 409 L HA 0.703 5.043 4.340 0.000 0.000 0.284 409 L C 0.292 177.155 176.870 -0.011 0.000 1.078 409 L CA 0.427 55.255 54.840 -0.019 0.000 0.815 409 L CB 1.490 43.517 42.059 -0.052 0.000 1.162 409 L HN 0.706 nan 8.230 nan 0.000 0.435 410 T N 4.253 118.814 114.554 0.013 0.000 2.957 410 T HA 0.397 4.747 4.350 0.000 0.000 0.336 410 T C -2.848 171.866 174.700 0.023 0.000 1.462 410 T CA -1.229 60.877 62.100 0.009 0.000 1.073 410 T CB 2.021 70.886 68.868 -0.005 0.000 1.319 410 T HN 0.209 nan 8.240 nan 0.000 0.485 411 P HA 0.241 nan 4.420 nan 0.000 0.269 411 P C -2.736 174.583 177.300 0.030 0.000 1.217 411 P CA -1.155 61.961 63.100 0.027 0.000 0.783 411 P CB -0.901 30.812 31.700 0.022 0.000 0.898 412 P HA 0.048 nan 4.420 nan 0.000 0.260 412 P C 0.011 177.334 177.300 0.039 0.000 1.207 412 P CA 0.906 64.033 63.100 0.045 0.000 0.780 412 P CB -0.264 31.466 31.700 0.049 0.000 0.789 413 M N 1.812 121.435 119.600 0.038 0.000 2.423 413 M HA 0.736 5.216 4.480 0.000 0.000 0.335 413 M C -0.046 176.286 176.300 0.054 0.000 1.177 413 M CA -1.164 54.153 55.300 0.028 0.000 1.038 413 M CB 1.724 34.325 32.600 0.001 0.000 1.641 413 M HN 0.116 nan 8.290 nan 0.000 0.455 414 A N 1.658 124.511 122.820 0.054 0.000 2.483 414 A HA 0.037 4.357 4.320 0.000 0.000 0.238 414 A C 0.475 178.142 177.584 0.139 0.000 1.070 414 A CA -0.237 51.858 52.037 0.098 0.000 0.770 414 A CB -0.147 18.898 19.000 0.076 0.000 1.008 414 A HN 1.143 nan 8.150 nan 0.000 0.497 415 W N 0.974 122.271 121.300 -0.005 0.000 2.304 415 W HA -0.257 4.403 4.660 0.000 0.000 0.315 415 W C 1.899 178.413 176.519 -0.008 0.000 1.233 415 W CA 2.378 59.722 57.345 -0.001 0.000 1.261 415 W CB 0.044 29.501 29.460 -0.006 0.000 1.150 415 W HN 0.877 nan 8.180 nan 0.000 0.494 416 E N -0.563 119.752 120.200 0.192 0.000 2.085 416 E HA -0.241 4.109 4.350 0.000 0.000 0.194 416 E C 1.680 178.223 176.600 -0.094 0.000 0.994 416 E CA 1.656 58.070 56.400 0.023 0.000 0.801 416 E CB -0.540 29.224 29.700 0.106 0.000 0.743 416 E HN 0.380 nan 8.360 nan 0.000 0.453 417 D N 0.584 120.952 120.400 -0.053 0.000 2.117 417 D HA -0.126 4.514 4.640 0.000 0.000 0.198 417 D C 2.137 178.364 176.300 -0.122 0.000 0.982 417 D CA 1.082 55.035 54.000 -0.078 0.000 0.828 417 D CB -0.159 40.613 40.800 -0.047 0.000 0.967 417 D HN 0.294 nan 8.370 nan 0.000 0.464 418 R N 1.043 121.460 120.500 -0.138 0.000 2.066 418 R HA 0.001 4.341 4.340 0.000 0.000 0.232 418 R C 1.919 178.081 176.300 -0.230 0.000 1.131 418 R CA 1.213 57.222 56.100 -0.152 0.000 0.955 418 R CB -0.813 29.419 30.300 -0.113 0.000 0.851 418 R HN 0.150 nan 8.270 nan 0.000 0.432 419 N N 0.472 118.946 118.700 -0.377 0.000 2.060 419 N HA -0.229 4.511 4.740 0.000 0.000 0.195 419 N C 2.006 177.347 175.510 -0.281 0.000 1.028 419 N CA 1.410 54.202 53.050 -0.430 0.000 0.861 419 N CB -0.195 37.910 38.487 -0.636 0.000 1.029 419 N HN 0.226 nan 8.380 nan 0.000 0.428 420 R N 1.085 121.453 120.500 -0.219 0.000 2.083 420 R HA -0.161 4.179 4.340 0.000 0.000 0.237 420 R C 2.237 178.462 176.300 -0.125 0.000 1.137 420 R CA 1.273 57.283 56.100 -0.150 0.000 0.951 420 R CB -0.555 29.675 30.300 -0.118 0.000 0.851 420 R HN 0.231 nan 8.270 nan 0.000 0.434 421 L N 1.709 122.857 121.223 -0.125 0.000 2.046 421 L HA -0.144 4.196 4.340 0.000 0.000 0.208 421 L C 1.861 178.697 176.870 -0.056 0.000 1.077 421 L CA 1.904 56.696 54.840 -0.081 0.000 0.747 421 L CB -0.303 41.702 42.059 -0.091 0.000 0.896 421 L HN 0.058 nan 8.230 nan 0.000 0.432 422 K N -0.525 119.803 120.400 -0.121 0.000 2.360 422 K HA -0.050 4.270 4.320 0.000 0.000 0.201 422 K C 1.922 178.403 176.600 -0.197 0.000 1.046 422 K CA 0.930 57.115 56.287 -0.169 0.000 0.945 422 K CB -0.253 32.068 32.500 -0.298 0.000 0.750 422 K HN 0.507 nan 8.250 nan 0.000 0.464 423 A N 0.950 123.672 122.820 -0.163 0.000 1.943 423 A HA 0.026 4.346 4.320 0.000 0.000 0.213 423 A C 1.993 179.535 177.584 -0.069 0.000 1.181 423 A CA 0.563 52.517 52.037 -0.138 0.000 0.653 423 A CB -0.277 18.644 19.000 -0.132 0.000 0.833 423 A HN 0.112 nan 8.150 nan 0.000 0.451 424 L N -0.477 120.737 121.223 -0.016 0.000 2.141 424 L HA -0.125 4.215 4.340 0.000 0.000 0.209 424 L C 2.430 179.313 176.870 0.021 0.000 1.094 424 L CA 0.772 55.646 54.840 0.056 0.000 0.763 424 L CB -0.463 41.727 42.059 0.218 0.000 0.908 424 L HN 0.353 nan 8.230 nan 0.000 0.437 425 L N -0.789 120.438 121.223 0.007 0.000 2.044 425 L HA -0.178 4.162 4.340 0.000 0.000 0.205 425 L C 2.438 179.283 176.870 -0.042 0.000 1.075 425 L CA 0.929 55.753 54.840 -0.027 0.000 0.747 425 L CB -0.332 41.730 42.059 0.004 0.000 0.903 425 L HN 0.218 nan 8.230 nan 0.000 0.435 426 L N -0.319 120.864 121.223 -0.068 0.000 2.261 426 L HA -0.219 4.121 4.340 0.000 0.000 0.216 426 L C 2.576 179.418 176.870 -0.047 0.000 1.114 426 L CA 1.102 55.898 54.840 -0.072 0.000 0.777 426 L CB -0.255 41.716 42.059 -0.148 0.000 0.910 426 L HN 0.252 nan 8.230 nan 0.000 0.440 427 R N -0.751 119.720 120.500 -0.048 0.000 2.275 427 R HA -0.032 4.308 4.340 0.000 0.000 0.199 427 R C 0.802 177.080 176.300 -0.036 0.000 0.989 427 R CA 0.410 56.488 56.100 -0.038 0.000 1.016 427 R CB 0.381 30.660 30.300 -0.035 0.000 0.918 427 R HN 0.169 nan 8.270 nan 0.000 0.473 428 E N -0.455 119.718 120.200 -0.045 0.000 2.651 428 E HA 0.122 4.472 4.350 0.000 0.000 0.208 428 E C -0.026 176.553 176.600 -0.036 0.000 0.997 428 E CA 0.013 56.380 56.400 -0.055 0.000 1.020 428 E CB 1.148 30.790 29.700 -0.097 0.000 1.052 428 E HN 0.380 nan 8.360 nan 0.000 0.465 429 G N 1.804 110.593 108.800 -0.018 0.000 2.371 429 G HA2 -0.275 3.685 3.960 0.000 0.000 0.299 429 G HA3 -0.275 3.685 3.960 0.000 0.000 0.299 429 G C 0.044 174.955 174.900 0.017 0.000 1.014 429 G CA 0.359 45.462 45.100 0.005 0.000 1.097 429 G HN 0.246 nan 8.290 nan 0.000 0.512 430 L N 0.336 121.571 121.223 0.021 0.000 2.388 430 L HA 0.327 4.667 4.340 0.000 0.000 0.267 430 L C -2.141 174.802 176.870 0.121 0.000 0.995 430 L CA -2.132 52.736 54.840 0.046 0.000 0.864 430 L CB 2.265 44.325 42.059 0.002 0.000 1.216 430 L HN -0.060 nan 8.230 nan 0.000 0.430 431 P HA 0.143 nan 4.420 nan 0.000 0.270 431 P C -0.650 176.883 177.300 0.388 0.000 1.223 431 P CA -0.046 63.314 63.100 0.433 0.000 0.785 431 P CB 1.061 32.927 31.700 0.278 0.000 0.923 432 S N 0.302 116.414 115.700 0.686 0.000 2.596 432 S HA 0.668 5.138 4.470 0.000 0.000 0.270 432 S C -1.530 173.267 174.600 0.328 0.000 1.155 432 S CA -0.719 57.702 58.200 0.367 0.000 0.827 432 S CB 1.792 65.151 63.200 0.265 0.000 1.130 432 S HN 0.304 nan 8.310 nan 0.000 0.467 433 Q N 0.448 120.356 119.800 0.181 0.000 2.356 433 Q HA 0.726 5.066 4.340 0.000 0.000 0.270 433 Q C -2.022 174.061 176.000 0.138 0.000 1.058 433 Q CA -0.470 55.415 55.803 0.136 0.000 0.802 433 Q CB 1.562 30.345 28.738 0.075 0.000 1.303 433 Q HN 0.755 nan 8.270 nan 0.000 0.444 434 I N 3.874 124.531 120.570 0.145 0.000 2.330 434 I HA 0.319 4.489 4.170 0.000 0.000 0.286 434 I C -0.998 175.190 176.117 0.119 0.000 1.025 434 I CA -0.130 61.239 61.300 0.115 0.000 1.197 434 I CB 1.194 39.257 38.000 0.104 0.000 1.358 434 I HN 0.595 nan 8.210 nan 0.000 0.467 435 L N 7.209 128.498 121.223 0.110 0.000 2.262 435 L HA 0.439 4.779 4.340 0.000 0.000 0.288 435 L C -0.127 176.806 176.870 0.105 0.000 1.035 435 L CA -0.519 54.400 54.840 0.132 0.000 0.820 435 L CB 0.441 42.594 42.059 0.156 0.000 1.204 435 L HN 0.607 nan 8.230 nan 0.000 0.424 436 N N 2.708 121.472 118.700 0.106 0.000 2.440 436 N HA -0.074 4.666 4.740 0.000 0.000 0.265 436 N C 1.114 176.674 175.510 0.083 0.000 1.239 436 N CA -0.166 52.935 53.050 0.084 0.000 0.909 436 N CB 1.569 40.106 38.487 0.084 0.000 1.066 436 N HN 0.445 nan 8.380 nan 0.000 0.474 437 V N 5.032 124.983 119.914 0.060 0.000 2.453 437 V HA -0.102 4.018 4.120 0.000 0.000 0.252 437 V C -1.316 174.814 176.094 0.060 0.000 1.068 437 V CA 1.372 63.704 62.300 0.052 0.000 1.070 437 V CB -0.644 31.196 31.823 0.028 0.000 0.664 437 V HN 0.798 nan 8.190 nan 0.000 0.461 438 P HA 0.081 nan 4.420 nan 0.000 0.235 438 P C -0.115 177.233 177.300 0.079 0.000 1.720 438 P CA -0.154 62.982 63.100 0.059 0.000 1.003 438 P CB -1.032 30.698 31.700 0.050 0.000 1.968 439 L N -0.255 121.027 121.223 0.099 0.000 2.700 439 L HA 0.195 4.535 4.340 0.000 0.000 0.272 439 L C 0.524 177.471 176.870 0.129 0.000 1.176 439 L CA 0.094 55.019 54.840 0.143 0.000 0.961 439 L CB -0.343 41.834 42.059 0.197 0.000 1.249 439 L HN -0.128 nan 8.230 nan 0.000 0.487 440 R N 3.135 123.706 120.500 0.118 0.000 2.369 440 R HA 0.177 4.517 4.340 0.000 0.000 0.310 440 R C 0.970 177.300 176.300 0.050 0.000 1.141 440 R CA -0.284 55.864 56.100 0.080 0.000 1.116 440 R CB 0.083 30.427 30.300 0.072 0.000 1.135 440 R HN 0.838 nan 8.270 nan 0.000 0.529 441 E N 3.284 123.430 120.200 -0.089 0.000 2.063 441 E HA -0.316 4.034 4.350 0.000 0.000 0.221 441 E C 0.596 177.166 176.600 -0.050 0.000 1.052 441 E CA 2.428 58.591 56.400 -0.395 0.000 0.891 441 E CB 0.075 29.530 29.700 -0.408 0.000 0.792 441 E HN 0.792 nan 8.360 nan 0.000 0.482 442 E N -0.163 120.030 120.200 -0.012 0.000 2.413 442 E HA -0.222 4.128 4.350 0.000 0.000 0.206 442 E C 0.637 177.289 176.600 0.086 0.000 1.047 442 E CA 1.413 57.839 56.400 0.043 0.000 0.859 442 E CB -0.486 29.232 29.700 0.029 0.000 0.771 442 E HN 0.303 nan 8.360 nan 0.000 0.527 443 E N 1.782 122.058 120.200 0.126 0.000 2.280 443 E HA 0.208 4.558 4.350 0.000 0.000 0.279 443 E C 0.885 177.589 176.600 0.173 0.000 1.325 443 E CA -0.257 56.223 56.400 0.133 0.000 1.486 443 E CB -0.287 29.484 29.700 0.118 0.000 1.466 443 E HN 0.320 nan 8.360 nan 0.000 0.473 444 R N -0.668 119.868 120.500 0.060 0.000 2.091 444 R HA -0.165 4.175 4.340 0.000 0.000 0.238 444 R C 2.028 178.074 176.300 -0.424 0.000 1.136 444 R CA 1.921 57.785 56.100 -0.393 0.000 0.959 444 R CB -0.330 29.789 30.300 -0.302 0.000 0.856 444 R HN 0.866 nan 8.270 nan 0.000 0.437 445 H N 0.104 119.023 119.070 -0.252 0.000 2.297 445 H HA -0.227 4.329 4.556 0.000 0.000 0.289 445 H C 2.248 177.453 175.328 -0.205 0.000 1.105 445 H CA 2.146 58.064 56.048 -0.217 0.000 1.219 445 H CB 0.180 29.857 29.762 -0.143 0.000 1.351 445 H HN 0.068 nan 8.280 nan 0.000 0.481 446 R N -0.040 120.515 120.500 0.092 0.000 2.092 446 R HA -0.161 4.179 4.340 0.000 0.000 0.226 446 R C 2.639 179.022 176.300 0.140 0.000 1.140 446 R CA 1.860 58.032 56.100 0.120 0.000 0.910 446 R CB -0.766 29.633 30.300 0.165 0.000 0.822 446 R HN 0.664 nan 8.270 nan 0.000 0.433 447 W N 1.564 122.926 121.300 0.103 0.000 2.392 447 W HA -0.099 4.561 4.660 0.000 0.000 0.279 447 W C 0.948 177.548 176.519 0.135 0.000 1.225 447 W CA 0.643 58.072 57.345 0.140 0.000 1.233 447 W CB -0.617 28.951 29.460 0.182 0.000 1.122 447 W HN 0.205 nan 8.180 nan 0.000 0.561 448 E N 0.837 120.681 120.200 -0.595 0.000 2.150 448 E HA -0.179 4.171 4.350 0.000 0.000 0.193 448 E C 1.904 178.430 176.600 -0.123 0.000 0.985 448 E CA 1.196 57.298 56.400 -0.497 0.000 0.814 448 E CB -0.190 29.126 29.700 -0.640 0.000 0.752 448 E HN 0.246 nan 8.360 nan 0.000 0.466 449 N N 1.048 119.717 118.700 -0.050 0.000 2.135 449 N HA -0.076 4.664 4.740 0.000 0.000 0.186 449 N C 1.831 177.430 175.510 0.147 0.000 1.027 449 N CA 1.181 54.286 53.050 0.092 0.000 0.849 449 N CB -0.431 38.158 38.487 0.169 0.000 1.002 449 N HN 0.095 nan 8.380 nan 0.000 0.425 450 A N 1.114 124.043 122.820 0.182 0.000 1.927 450 A HA -0.152 4.168 4.320 0.000 0.000 0.220 450 A C 2.058 179.739 177.584 0.162 0.000 1.185 450 A CA 1.308 53.459 52.037 0.190 0.000 0.639 450 A CB -0.615 18.535 19.000 0.250 0.000 0.820 450 A HN 0.142 nan 8.150 nan 0.000 0.451 451 L N -0.707 120.633 121.223 0.194 0.000 2.109 451 L HA -0.037 4.303 4.340 0.000 0.000 0.207 451 L C 2.478 179.394 176.870 0.078 0.000 1.086 451 L CA 1.181 56.136 54.840 0.191 0.000 0.760 451 L CB -0.945 41.278 42.059 0.273 0.000 0.910 451 L HN 0.360 nan 8.230 nan 0.000 0.437 452 L N -0.975 120.266 121.223 0.030 0.000 2.042 452 L HA -0.176 4.164 4.340 0.000 0.000 0.210 452 L C 2.508 179.277 176.870 -0.168 0.000 1.076 452 L CA 1.467 56.266 54.840 -0.068 0.000 0.749 452 L CB -1.176 40.855 42.059 -0.047 0.000 0.893 452 L HN 0.415 nan 8.230 nan 0.000 0.432 453 G N 0.067 108.790 108.800 -0.129 0.000 2.433 453 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 453 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 453 G C 1.543 176.318 174.900 -0.208 0.000 1.186 453 G CA 0.535 45.502 45.100 -0.221 0.000 0.779 453 G HN 0.218 nan 8.290 nan 0.000 0.543 454 L N 0.647 121.822 121.223 -0.080 0.000 2.013 454 L HA -0.031 4.309 4.340 0.000 0.000 0.212 454 L C 2.750 179.587 176.870 -0.055 0.000 1.073 454 L CA 1.721 56.546 54.840 -0.026 0.000 0.753 454 L CB -0.931 41.182 42.059 0.090 0.000 0.890 454 L HN 0.275 nan 8.230 nan 0.000 0.432 455 L N -0.223 120.950 121.223 -0.084 0.000 2.056 455 L HA -0.133 4.207 4.340 0.000 0.000 0.207 455 L C 2.854 179.591 176.870 -0.222 0.000 1.078 455 L CA 1.091 55.843 54.840 -0.148 0.000 0.749 455 L CB -0.854 41.033 42.059 -0.286 0.000 0.901 455 L HN 0.308 nan 8.230 nan 0.000 0.433 456 A N 0.357 122.990 122.820 -0.311 0.000 1.902 456 A HA -0.213 4.107 4.320 0.000 0.000 0.217 456 A C 2.316 179.766 177.584 -0.222 0.000 1.181 456 A CA 1.686 53.499 52.037 -0.375 0.000 0.623 456 A CB -0.334 18.146 19.000 -0.867 0.000 0.818 456 A HN 0.323 nan 8.150 nan 0.000 0.443 457 K N -0.391 119.868 120.400 -0.234 0.000 2.217 457 K HA 0.076 4.396 4.320 0.000 0.000 0.202 457 K C 1.982 178.541 176.600 -0.069 0.000 1.051 457 K CA 0.835 57.012 56.287 -0.183 0.000 0.952 457 K CB -0.198 32.118 32.500 -0.305 0.000 0.736 457 K HN 0.432 nan 8.250 nan 0.000 0.453 458 A N 0.337 123.125 122.820 -0.053 0.000 2.167 458 A HA 0.114 4.434 4.320 0.000 0.000 0.214 458 A C 1.496 179.080 177.584 0.001 0.000 1.151 458 A CA 1.177 53.214 52.037 0.001 0.000 0.735 458 A CB -0.219 18.799 19.000 0.030 0.000 0.802 458 A HN 0.419 nan 8.150 nan 0.000 0.467 459 G N -2.010 106.773 108.800 -0.028 0.000 2.192 459 G HA2 -0.138 3.822 3.960 0.000 0.000 0.193 459 G HA3 -0.138 3.822 3.960 0.000 0.000 0.193 459 G C -0.012 174.873 174.900 -0.025 0.000 0.999 459 G CA -0.061 45.032 45.100 -0.011 0.000 0.659 459 G HN 0.351 nan 8.290 nan 0.000 0.503 460 L N 0.807 121.982 121.223 -0.081 0.000 2.349 460 L HA 0.483 4.823 4.340 0.000 0.000 0.275 460 L C 0.868 177.653 176.870 -0.143 0.000 1.115 460 L CA -0.267 54.489 54.840 -0.139 0.000 0.820 460 L CB 1.159 43.017 42.059 -0.335 0.000 1.135 460 L HN 0.145 nan 8.230 nan 0.000 0.445 461 Q N 1.894 121.665 119.800 -0.048 0.000 2.566 461 Q HA 0.135 4.475 4.340 0.000 0.000 0.221 461 Q C 0.819 176.832 176.000 0.021 0.000 1.195 461 Q CA -0.309 55.511 55.803 0.028 0.000 0.967 461 Q CB 1.287 30.133 28.738 0.180 0.000 1.337 461 Q HN 0.586 nan 8.270 nan 0.000 0.553 462 V N 1.853 121.695 119.914 -0.120 0.000 2.237 462 V HA -0.122 3.998 4.120 0.000 0.000 0.245 462 V C 0.743 176.914 176.094 0.127 0.000 1.046 462 V CA 1.232 63.495 62.300 -0.062 0.000 1.007 462 V CB 0.189 31.915 31.823 -0.162 0.000 0.638 462 V HN 0.381 nan 8.190 nan 0.000 0.445 463 V N -1.171 118.764 119.914 0.034 0.000 2.823 463 V HA 0.808 4.928 4.120 0.000 0.000 0.312 463 V C -0.290 175.708 176.094 -0.159 0.000 1.072 463 V CA -0.485 61.814 62.300 -0.002 0.000 0.937 463 V CB 1.618 33.437 31.823 -0.007 0.000 1.013 463 V HN 0.331 nan 8.190 nan 0.000 0.430 464 A N 4.152 126.758 122.820 -0.358 0.000 2.304 464 A HA 0.790 5.110 4.320 0.000 0.000 0.323 464 A C -0.977 176.455 177.584 -0.254 0.000 1.195 464 A CA -0.493 51.207 52.037 -0.561 0.000 0.826 464 A CB 1.067 19.232 19.000 -1.392 0.000 1.184 464 A HN 0.671 nan 8.150 nan 0.000 0.496 465 L N 3.665 124.806 121.223 -0.137 0.000 2.276 465 L HA 0.396 4.736 4.340 0.000 0.000 0.286 465 L C 0.506 177.390 176.870 0.023 0.000 1.024 465 L CA -0.008 54.819 54.840 -0.022 0.000 0.826 465 L CB 0.791 42.887 42.059 0.061 0.000 1.211 465 L HN 0.830 nan 8.230 nan 0.000 0.422 466 S N 3.490 119.190 115.700 0.001 0.000 2.498 466 S HA 0.589 5.059 4.470 0.000 0.000 0.281 466 S C 0.305 174.923 174.600 0.030 0.000 1.265 466 S CA -0.273 57.924 58.200 -0.005 0.000 1.071 466 S CB 0.750 63.946 63.200 -0.007 0.000 0.894 466 S HN 0.870 nan 8.310 nan 0.000 0.491 467 G N 0.813 109.549 108.800 -0.108 0.000 2.714 467 G HA2 0.763 4.724 3.960 0.000 0.000 0.292 467 G HA3 0.763 4.724 3.960 0.000 0.000 0.292 467 G C -0.764 173.830 174.900 -0.510 0.000 1.308 467 G CA -0.785 44.090 45.100 -0.375 0.000 0.964 467 G HN 1.497 nan 8.290 nan 0.000 0.484 468 A N 0.199 122.615 122.820 -0.673 0.000 3.464 468 A HA 0.624 4.944 4.320 0.000 0.000 0.243 468 A C -1.120 176.285 177.584 -0.297 0.000 1.100 468 A CA -0.576 51.222 52.037 -0.399 0.000 0.957 468 A CB -0.463 18.419 19.000 -0.198 0.000 1.340 468 A HN 1.011 nan 8.150 nan 0.000 0.645 469 Y N -1.405 118.855 120.300 -0.067 0.000 2.545 469 Y HA 0.757 5.307 4.550 0.000 0.000 0.348 469 Y C -1.415 174.451 175.900 -0.056 0.000 1.002 469 Y CA -2.537 55.516 58.100 -0.078 0.000 1.039 469 Y CB 0.570 38.981 38.460 -0.081 0.000 1.271 469 Y HN 0.127 nan 8.280 nan 0.000 0.467 470 P HA -0.009 nan 4.420 nan 0.000 0.219 470 P C 0.141 177.481 177.300 0.067 0.000 1.150 470 P CA 1.009 64.141 63.100 0.053 0.000 0.814 470 P CB 0.073 31.780 31.700 0.011 0.000 0.787 471 A N 0.890 123.766 122.820 0.093 0.000 2.260 471 A HA 0.248 4.568 4.320 0.000 0.000 0.308 471 A C 0.959 178.585 177.584 0.070 0.000 1.254 471 A CA -0.563 51.505 52.037 0.051 0.000 0.874 471 A CB 0.447 19.452 19.000 0.008 0.000 1.153 471 A HN 0.092 nan 8.150 nan 0.000 0.527 472 E N 1.567 121.772 120.200 0.008 0.000 2.442 472 E HA 0.097 4.447 4.350 0.000 0.000 0.195 472 E C -0.527 175.960 176.600 -0.187 0.000 1.030 472 E CA 0.119 56.515 56.400 -0.007 0.000 0.869 472 E CB 0.182 29.899 29.700 0.029 0.000 0.857 472 E HN 0.408 nan 8.360 nan 0.000 0.505 473 L N 0.653 121.737 121.223 -0.232 0.000 2.491 473 L HA 0.506 4.846 4.340 0.000 0.000 0.267 473 L C -1.711 175.071 176.870 -0.147 0.000 0.971 473 L CA -0.809 53.846 54.840 -0.309 0.000 0.857 473 L CB 1.792 43.525 42.059 -0.543 0.000 1.226 473 L HN -0.092 nan 8.230 nan 0.000 0.408 474 A N 4.857 127.603 122.820 -0.122 0.000 2.267 474 A HA 0.716 5.036 4.320 0.000 0.000 0.315 474 A C -1.173 176.375 177.584 -0.061 0.000 1.297 474 A CA -0.437 51.561 52.037 -0.065 0.000 0.865 474 A CB 1.264 20.214 19.000 -0.083 0.000 1.165 474 A HN 0.953 nan 8.150 nan 0.000 0.513 475 V N 2.873 122.781 119.914 -0.011 0.000 2.459 475 V HA 0.876 4.996 4.120 0.000 0.000 0.295 475 V C 0.284 176.376 176.094 -0.003 0.000 1.029 475 V CA 0.247 62.497 62.300 -0.083 0.000 0.874 475 V CB 1.585 33.291 31.823 -0.196 0.000 0.985 475 V HN 1.154 nan 8.190 nan 0.000 0.438 476 G N 5.497 114.274 108.800 -0.039 0.000 2.416 476 G HA2 0.650 4.610 3.960 0.000 0.000 0.324 476 G HA3 0.650 4.610 3.960 0.000 0.000 0.324 476 G C -1.265 173.719 174.900 0.141 0.000 1.194 476 G CA -0.490 44.707 45.100 0.161 0.000 0.922 476 G HN 0.568 nan 8.290 nan 0.000 0.467 477 F N 0.557 120.674 119.950 0.278 0.000 2.397 477 F HA 0.521 5.048 4.527 0.000 0.000 0.331 477 F C 0.213 176.277 175.800 0.440 0.000 1.090 477 F CA -1.010 57.221 58.000 0.385 0.000 1.065 477 F CB 2.326 41.587 39.000 0.435 0.000 1.184 477 F HN 0.351 nan 8.300 nan 0.000 0.499 478 D N 0.309 121.101 120.400 0.653 0.000 2.787 478 D HA 0.645 5.285 4.640 0.000 0.000 0.246 478 D C -0.532 175.930 176.300 0.269 0.000 1.150 478 D CA -0.423 53.836 54.000 0.432 0.000 0.864 478 D CB 1.831 42.896 40.800 0.441 0.000 1.481 478 D HN 0.568 nan 8.370 nan 0.000 0.509 479 A N 2.475 125.174 122.820 -0.203 0.000 2.589 479 A HA 0.662 4.982 4.320 0.000 0.000 0.283 479 A C 1.271 178.278 177.584 -0.961 0.000 1.187 479 A CA 0.657 52.301 52.037 -0.655 0.000 0.957 479 A CB -0.301 18.062 19.000 -1.062 0.000 1.175 479 A HN 1.004 nan 8.150 nan 0.000 0.532 480 G N 0.064 108.252 108.800 -1.021 0.000 3.487 480 G HA2 -0.028 3.932 3.960 0.000 0.000 0.295 480 G HA3 -0.028 3.932 3.960 0.000 0.000 0.295 480 G C 1.125 175.639 174.900 -0.644 0.000 1.454 480 G CA 0.463 44.651 45.100 -1.521 0.000 1.039 480 G HN 1.690 nan 8.290 nan 0.000 0.624 481 G N 0.054 108.529 108.800 -0.542 0.000 4.162 481 G HA2 0.469 4.429 3.960 0.000 0.000 0.252 481 G HA3 0.469 4.429 3.960 0.000 0.000 0.252 481 G C 0.503 175.256 174.900 -0.245 0.000 1.064 481 G CA 0.561 45.485 45.100 -0.293 0.000 0.850 481 G HN 0.604 nan 8.290 nan 0.000 0.454 482 R N 0.788 121.101 120.500 -0.311 0.000 2.637 482 R HA 0.250 4.590 4.340 0.000 0.000 0.269 482 R C 0.264 176.471 176.300 -0.155 0.000 1.089 482 R CA -0.285 55.692 56.100 -0.205 0.000 1.177 482 R CB 0.731 30.921 30.300 -0.184 0.000 1.091 482 R HN 0.050 nan 8.270 nan 0.000 0.540 483 E N 0.357 120.513 120.200 -0.075 0.000 2.445 483 E HA 0.052 4.402 4.350 0.000 0.000 0.189 483 E C 0.007 176.602 176.600 -0.008 0.000 1.069 483 E CA 0.210 56.590 56.400 -0.035 0.000 0.871 483 E CB 0.465 30.160 29.700 -0.008 0.000 0.991 483 E HN 0.330 nan 8.360 nan 0.000 0.481 484 S N -0.805 114.866 115.700 -0.047 0.000 2.565 484 S HA 0.380 4.850 4.470 0.000 0.000 0.269 484 S C -1.015 173.523 174.600 -0.103 0.000 1.153 484 S CA -0.648 57.554 58.200 0.003 0.000 0.835 484 S CB 0.391 63.623 63.200 0.053 0.000 1.122 484 S HN 0.006 nan 8.310 nan 0.000 0.462 485 F N 2.525 122.490 119.950 0.024 0.000 2.663 485 F HA 0.364 4.891 4.527 0.000 0.000 0.299 485 F C 2.030 177.828 175.800 -0.003 0.000 1.143 485 F CA -0.261 57.761 58.000 0.036 0.000 1.387 485 F CB 0.124 39.118 39.000 -0.010 0.000 1.019 485 F HN 0.451 nan 8.300 nan 0.000 0.523 486 R N -0.023 120.483 120.500 0.010 0.000 2.083 486 R HA -0.152 4.188 4.340 0.000 0.000 0.237 486 R C 0.549 176.657 176.300 -0.320 0.000 1.137 486 R CA 1.375 57.323 56.100 -0.253 0.000 0.951 486 R CB -0.653 29.296 30.300 -0.586 0.000 0.851 486 R HN 0.215 nan 8.270 nan 0.000 0.434 487 F N 1.466 121.455 119.950 0.064 0.000 2.833 487 F HA 0.286 4.813 4.527 0.000 0.000 0.327 487 F C 1.323 177.219 175.800 0.159 0.000 1.184 487 F CA 0.176 58.231 58.000 0.092 0.000 1.328 487 F CB -0.269 38.777 39.000 0.077 0.000 1.440 487 F HN 0.228 nan 8.300 nan 0.000 0.569 488 G N 0.079 109.026 108.800 0.244 0.000 2.804 488 G HA2 0.207 4.167 3.960 0.000 0.000 0.230 488 G HA3 0.207 4.167 3.960 0.000 0.000 0.230 488 G C 0.029 175.175 174.900 0.409 0.000 1.386 488 G CA -0.577 44.685 45.100 0.272 0.000 0.875 488 G HN 1.002 nan 8.290 nan 0.000 0.557 489 G N -2.081 106.985 108.800 0.443 0.000 2.650 489 G HA2 1.016 4.976 3.960 0.000 0.000 0.310 489 G HA3 1.016 4.976 3.960 0.000 0.000 0.310 489 G C -0.638 174.525 174.900 0.438 0.000 1.270 489 G CA 0.933 46.400 45.100 0.611 0.000 0.810 489 G HN 2.590 nan 8.290 nan 0.000 0.493 490 A N -1.681 121.428 122.820 0.481 0.000 2.604 490 A HA 0.996 5.316 4.320 0.000 0.000 0.295 490 A C -0.736 176.994 177.584 0.244 0.000 1.067 490 A CA 0.244 52.423 52.037 0.238 0.000 0.683 490 A CB 1.356 20.429 19.000 0.121 0.000 1.281 490 A HN 2.405 nan 8.150 nan 0.000 0.407 491 A N 0.071 122.939 122.820 0.080 0.000 2.393 491 A HA 0.755 5.075 4.320 0.000 0.000 0.306 491 A C -0.205 177.420 177.584 0.068 0.000 1.050 491 A CA -0.006 52.014 52.037 -0.028 0.000 0.724 491 A CB 0.614 19.429 19.000 -0.308 0.000 1.248 491 A HN 2.456 nan 8.150 nan 0.000 0.424 492 C N 0.810 120.154 119.300 0.073 0.000 2.493 492 C HA 1.016 5.476 4.460 0.000 0.000 0.326 492 C C 0.051 175.035 174.990 -0.010 0.000 1.200 492 C CA -0.022 59.083 59.018 0.144 0.000 1.739 492 C CB 0.547 28.373 27.740 0.144 0.000 2.300 492 C HN 2.083 nan 8.230 nan 0.000 0.500 493 A N 2.353 125.159 122.820 -0.023 0.000 2.540 493 A HA 0.720 5.040 4.320 0.000 0.000 0.297 493 A C -1.307 176.192 177.584 -0.143 0.000 1.056 493 A CA -0.357 51.627 52.037 -0.089 0.000 0.700 493 A CB 1.298 20.251 19.000 -0.078 0.000 1.280 493 A HN 1.978 nan 8.150 nan 0.000 0.398 494 V N 1.900 121.688 119.914 -0.211 0.000 2.581 494 V HA 0.683 4.803 4.120 0.000 0.000 0.303 494 V C 1.119 177.121 176.094 -0.154 0.000 1.041 494 V CA 0.444 62.571 62.300 -0.289 0.000 0.907 494 V CB 1.921 33.461 31.823 -0.472 0.000 0.994 494 V HN 1.492 nan 8.190 nan 0.000 0.442 495 G N 3.024 111.787 108.800 -0.063 0.000 3.295 495 G HA2 0.447 4.407 3.960 0.000 0.000 0.231 495 G HA3 0.447 4.407 3.960 0.000 0.000 0.231 495 G C 1.021 175.959 174.900 0.064 0.000 1.277 495 G CA 0.738 45.873 45.100 0.060 0.000 1.013 495 G HN 1.818 nan 8.290 nan 0.000 0.509 496 G N 0.398 109.196 108.800 -0.002 0.000 4.024 496 G HA2 -0.290 3.670 3.960 0.000 0.000 0.206 496 G HA3 -0.290 3.670 3.960 0.000 0.000 0.206 496 G C 0.845 175.833 174.900 0.147 0.000 1.608 496 G CA 0.505 45.659 45.100 0.089 0.000 1.221 496 G HN 0.403 nan 8.290 nan 0.000 0.623 497 D N 0.672 121.163 120.400 0.152 0.000 2.431 497 D HA 0.472 5.112 4.640 0.000 0.000 0.227 497 D C 1.179 177.491 176.300 0.019 0.000 1.030 497 D CA 1.338 55.414 54.000 0.127 0.000 0.897 497 D CB 0.814 41.663 40.800 0.082 0.000 1.058 497 D HN 1.301 nan 8.370 nan 0.000 0.500 498 G N -0.325 108.486 108.800 0.018 0.000 3.288 498 G HA2 0.470 4.430 3.960 0.000 0.000 0.285 498 G HA3 0.470 4.430 3.960 0.000 0.000 0.285 498 G C -0.339 174.599 174.900 0.063 0.000 3.680 498 G CA -0.324 44.791 45.100 0.026 0.000 0.508 498 G HN 0.255 nan 8.290 nan 0.000 0.300 499 G N 1.360 110.194 108.800 0.058 0.000 4.132 499 G HA2 0.358 4.318 3.960 0.000 0.000 0.269 499 G HA3 0.358 4.318 3.960 0.000 0.000 0.269 499 G C -0.261 174.653 174.900 0.023 0.000 2.594 499 G CA -0.704 44.439 45.100 0.072 0.000 0.600 499 G HN 0.575 nan 8.290 nan 0.000 0.341 500 H N 1.439 120.482 119.070 -0.045 0.000 3.046 500 H HA 0.135 4.691 4.556 0.000 0.000 0.303 500 H C 0.524 175.823 175.328 -0.049 0.000 1.002 500 H CA 0.608 56.607 56.048 -0.080 0.000 1.460 500 H CB 1.592 31.262 29.762 -0.152 0.000 1.493 500 H HN 0.233 nan 8.280 nan 0.000 0.559 501 L N 2.888 124.124 121.223 0.021 0.000 2.448 501 L HA 0.096 4.436 4.340 0.000 0.000 0.258 501 L C 0.994 177.946 176.870 0.138 0.000 1.104 501 L CA -0.930 53.957 54.840 0.077 0.000 0.800 501 L CB 0.751 42.861 42.059 0.085 0.000 1.241 501 L HN 0.428 nan 8.230 nan 0.000 0.472 502 L N 2.794 124.128 121.223 0.186 0.000 2.546 502 L HA -0.046 4.294 4.340 0.000 0.000 0.272 502 L C -0.314 176.798 176.870 0.404 0.000 1.327 502 L CA 0.450 55.472 54.840 0.302 0.000 1.199 502 L CB -0.941 41.228 42.059 0.184 0.000 1.401 502 L HN 0.580 nan 8.230 nan 0.000 0.440 503 W N 4.546 125.845 121.300 -0.001 0.000 2.397 503 W HA 0.315 4.975 4.660 0.000 0.000 0.327 503 W C 0.483 176.989 176.519 -0.023 0.000 1.421 503 W CA -0.791 56.541 57.345 -0.020 0.000 1.288 503 W CB 0.081 29.532 29.460 -0.016 0.000 1.312 503 W HN 0.549 nan 8.180 nan 0.000 0.559 504 T N 3.060 117.584 114.554 -0.050 0.000 2.893 504 T HA 0.807 5.157 4.350 0.000 0.000 0.279 504 T C -0.172 174.416 174.700 -0.186 0.000 0.991 504 T CA -0.947 61.051 62.100 -0.170 0.000 0.950 504 T CB 1.426 70.243 68.868 -0.085 0.000 1.223 504 T HN 0.962 nan 8.240 nan 0.000 0.585 505 L N -2.344 118.787 121.223 -0.152 0.000 2.653 505 L HA 0.932 5.272 4.340 0.000 0.000 0.257 505 L C -3.180 173.653 176.870 -0.062 0.000 0.969 505 L CA -1.837 52.941 54.840 -0.104 0.000 0.869 505 L CB 1.912 43.854 42.059 -0.195 0.000 1.439 505 L HN 0.720 nan 8.230 nan 0.000 0.414 514 I N 3.684 124.233 120.570 -0.034 0.000 2.683 514 I HA 0.048 4.218 4.170 0.000 0.000 0.286 514 I C -1.077 175.027 176.117 -0.022 0.000 1.175 514 I CA -2.037 59.240 61.300 -0.038 0.000 1.429 514 I CB 0.411 38.392 38.000 -0.031 0.000 1.371 514 I HN 0.581 nan 8.210 nan 0.000 0.569 515 P HA -0.245 nan 4.420 nan 0.000 0.215 515 P C 1.256 178.521 177.300 -0.058 0.000 1.163 515 P CA 1.706 64.815 63.100 0.015 0.000 0.894 515 P CB 0.259 31.977 31.700 0.030 0.000 0.791 516 Q N -0.157 119.598 119.800 -0.075 0.000 2.061 516 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 516 Q C 2.378 178.339 176.000 -0.064 0.000 0.984 516 Q CA 1.428 57.162 55.803 -0.115 0.000 0.846 516 Q CB -0.372 28.312 28.738 -0.090 0.000 0.902 516 Q HN 0.441 nan 8.270 nan 0.000 0.421 517 E N -0.262 119.932 120.200 -0.010 0.000 2.204 517 E HA -0.142 4.208 4.350 0.000 0.000 0.195 517 E C 1.973 178.602 176.600 0.049 0.000 0.990 517 E CA 0.717 57.150 56.400 0.055 0.000 0.821 517 E CB 0.207 29.930 29.700 0.039 0.000 0.750 517 E HN 0.125 nan 8.360 nan 0.000 0.477 518 V N 0.366 120.283 119.914 0.005 0.000 2.229 518 V HA -0.239 3.881 4.120 0.000 0.000 0.243 518 V C 2.309 178.375 176.094 -0.047 0.000 1.042 518 V CA 1.354 63.664 62.300 0.017 0.000 1.000 518 V CB -0.440 31.440 31.823 0.095 0.000 0.637 518 V HN 0.127 nan 8.190 nan 0.000 0.446 519 V N -0.283 119.477 119.914 -0.257 0.000 2.313 519 V HA -0.386 3.734 4.120 0.000 0.000 0.253 519 V C 2.081 178.157 176.094 -0.030 0.000 1.070 519 V CA 2.818 64.839 62.300 -0.465 0.000 1.057 519 V CB -0.845 30.331 31.823 -1.078 0.000 0.653 519 V HN 0.817 nan 8.190 nan 0.000 0.450 520 W N 0.865 122.046 121.300 -0.198 0.000 2.381 520 W HA -0.206 4.454 4.660 -0.000 0.000 0.301 520 W C 2.133 178.636 176.519 -0.026 0.000 1.205 520 W CA 1.518 58.808 57.345 -0.092 0.000 1.285 520 W CB -0.088 29.314 29.460 -0.096 0.000 1.133 520 W HN 0.346 nan 8.180 nan 0.000 0.521 521 D N 0.947 121.231 120.400 -0.192 0.000 2.097 521 D HA -0.225 4.415 4.640 0.000 0.000 0.195 521 D C 2.345 178.491 176.300 -0.257 0.000 0.989 521 D CA 2.093 55.873 54.000 -0.366 0.000 0.827 521 D CB -0.740 39.945 40.800 -0.192 0.000 0.966 521 D HN 0.096 nan 8.370 nan 0.000 0.456 522 L N 0.012 121.184 121.223 -0.084 0.000 1.991 522 L HA -0.237 4.103 4.340 0.000 0.000 0.221 522 L C 2.384 179.204 176.870 -0.084 0.000 1.079 522 L CA 1.018 55.831 54.840 -0.045 0.000 0.778 522 L CB -0.589 41.514 42.059 0.073 0.000 0.893 522 L HN 0.181 nan 8.230 nan 0.000 0.437 523 L N -0.553 120.698 121.223 0.047 0.000 2.201 523 L HA -0.169 4.172 4.340 0.000 0.000 0.212 523 L C 2.495 179.291 176.870 -0.123 0.000 1.105 523 L CA 1.556 56.454 54.840 0.096 0.000 0.775 523 L CB -0.555 41.786 42.059 0.471 0.000 0.913 523 L HN 0.240 nan 8.230 nan 0.000 0.440 524 E N -0.337 119.534 120.200 -0.547 0.000 2.047 524 E HA -0.194 4.156 4.350 0.000 0.000 0.191 524 E C 1.862 178.309 176.600 -0.256 0.000 0.987 524 E CA 1.093 57.033 56.400 -0.767 0.000 0.799 524 E CB 0.112 29.030 29.700 -1.303 0.000 0.752 524 E HN 0.547 nan 8.360 nan 0.000 0.449 525 E N 0.154 120.239 120.200 -0.192 0.000 2.017 525 E HA -0.158 4.192 4.350 0.000 0.000 0.193 525 E C 2.303 178.962 176.600 0.098 0.000 0.997 525 E CA 1.975 58.368 56.400 -0.012 0.000 0.804 525 E CB -0.930 28.745 29.700 -0.042 0.000 0.757 525 E HN 0.474 nan 8.360 nan 0.000 0.448 526 T N 0.401 114.973 114.554 0.031 0.000 2.699 526 T HA -0.181 4.169 4.350 0.000 0.000 0.268 526 T C 2.243 177.017 174.700 0.124 0.000 1.036 526 T CA 1.353 63.488 62.100 0.059 0.000 1.147 526 T CB -0.669 68.188 68.868 -0.018 0.000 0.862 526 T HN 0.060 nan 8.240 nan 0.000 0.446 527 L N -0.884 120.415 121.223 0.127 0.000 2.042 527 L HA -0.034 4.306 4.340 0.000 0.000 0.210 527 L C 2.743 179.789 176.870 0.292 0.000 1.076 527 L CA 1.835 56.797 54.840 0.203 0.000 0.749 527 L CB -0.538 41.644 42.059 0.206 0.000 0.893 527 L HN 0.540 nan 8.230 nan 0.000 0.432 528 W N 0.395 121.721 121.300 0.045 0.000 2.402 528 W HA -0.175 4.486 4.660 0.000 0.000 0.286 528 W C 2.263 178.815 176.519 0.056 0.000 1.221 528 W CA 1.135 58.502 57.345 0.036 0.000 1.257 528 W CB 0.122 29.570 29.460 -0.020 0.000 1.120 528 W HN 0.179 nan 8.180 nan 0.000 0.551 529 A N -0.047 122.829 122.820 0.094 0.000 1.969 529 A HA -0.213 4.107 4.320 0.000 0.000 0.218 529 A C 1.700 179.262 177.584 -0.038 0.000 1.169 529 A CA 1.341 53.370 52.037 -0.013 0.000 0.635 529 A CB -1.356 17.698 19.000 0.090 0.000 0.810 529 A HN 0.395 nan 8.150 nan 0.000 0.445 530 F N 0.908 120.801 119.950 -0.095 0.000 2.367 530 F HA 0.045 4.572 4.527 0.000 0.000 0.298 530 F C 2.537 178.257 175.800 -0.132 0.000 1.094 530 F CA 1.600 59.552 58.000 -0.080 0.000 1.409 530 F CB -0.169 38.819 39.000 -0.021 0.000 1.064 530 F HN 0.244 nan 8.300 nan 0.000 0.528 531 R N 0.696 121.060 120.500 -0.227 0.000 2.240 531 R HA 0.192 4.532 4.340 0.000 0.000 0.203 531 R C 2.144 178.145 176.300 -0.498 0.000 1.011 531 R CA 1.250 57.141 56.100 -0.349 0.000 1.007 531 R CB -1.801 28.337 30.300 -0.270 0.000 0.911 531 R HN 0.435 nan 8.270 nan 0.000 0.468 532 R N 0.298 120.474 120.500 -0.541 0.000 2.055 532 R HA 0.089 4.429 4.340 0.000 0.000 0.226 532 R C 2.822 178.929 176.300 -0.321 0.000 1.135 532 R CA 2.122 57.944 56.100 -0.464 0.000 0.959 532 R CB -1.332 28.712 30.300 -0.427 0.000 0.854 532 R HN 0.672 nan 8.270 nan 0.000 0.431 533 K N 0.176 120.392 120.400 -0.307 0.000 2.007 533 K HA 0.399 4.719 4.320 0.000 0.000 0.206 533 K C 2.477 178.880 176.600 -0.328 0.000 1.047 533 K CA 1.593 57.726 56.287 -0.257 0.000 0.937 533 K CB -0.915 31.474 32.500 -0.185 0.000 0.718 533 K HN 0.784 nan 8.250 nan 0.000 0.438 534 A N -0.280 122.201 122.820 -0.565 0.000 2.251 534 A HA 0.455 4.775 4.320 0.000 0.000 0.209 534 A C 1.890 179.263 177.584 -0.352 0.000 1.187 534 A CA 0.959 52.679 52.037 -0.529 0.000 0.823 534 A CB -0.806 17.628 19.000 -0.945 0.000 0.846 534 A HN 1.586 nan 8.150 nan 0.000 0.486 535 G N -0.274 108.332 108.800 -0.323 0.000 2.390 535 G HA2 -0.263 3.697 3.960 0.000 0.000 0.299 535 G HA3 -0.263 3.697 3.960 0.000 0.000 0.299 535 G C 0.102 174.900 174.900 -0.169 0.000 1.002 535 G CA 1.018 45.988 45.100 -0.217 0.000 0.979 535 G HN 1.074 nan 8.290 nan 0.000 0.513 536 R N -1.616 118.764 120.500 -0.199 0.000 3.197 536 R HA 0.334 4.674 4.340 0.000 0.000 0.261 536 R C -1.054 175.248 176.300 0.003 0.000 1.015 536 R CA -1.081 54.974 56.100 -0.076 0.000 0.949 536 R CB 0.149 30.423 30.300 -0.043 0.000 1.256 536 R HN 0.163 nan 8.270 nan 0.000 0.514 537 L N 3.976 125.274 121.223 0.125 0.000 2.417 537 L HA 0.430 4.770 4.340 0.000 0.000 0.268 537 L C -1.784 175.292 176.870 0.343 0.000 1.158 537 L CA -1.371 53.622 54.840 0.255 0.000 0.819 537 L CB 0.245 42.424 42.059 0.199 0.000 1.112 537 L HN 0.524 nan 8.230 nan 0.000 0.458 538 P HA 0.087 nan 4.420 nan 0.000 0.271 538 P C 0.203 177.588 177.300 0.142 0.000 1.216 538 P CA -0.302 62.943 63.100 0.241 0.000 0.776 538 P CB 1.041 32.634 31.700 -0.179 0.000 0.881 539 S N 3.172 118.942 115.700 0.117 0.000 2.387 539 S HA -0.069 4.401 4.470 0.000 0.000 0.226 539 S C 0.936 175.580 174.600 0.073 0.000 1.026 539 S CA 0.505 58.758 58.200 0.089 0.000 0.972 539 S CB -0.093 63.150 63.200 0.071 0.000 0.814 539 S HN 0.565 nan 8.310 nan 0.000 0.477 540 R N -0.385 120.147 120.500 0.054 0.000 2.698 540 R HA 0.678 5.018 4.340 0.000 0.000 0.275 540 R C -2.174 174.147 176.300 0.035 0.000 1.001 540 R CA -0.607 55.526 56.100 0.055 0.000 0.896 540 R CB 2.193 32.516 30.300 0.039 0.000 1.218 540 R HN 0.160 nan 8.270 nan 0.000 0.462 541 V N 3.595 123.560 119.914 0.085 0.000 2.876 541 V HA 0.518 4.638 4.120 0.000 0.000 0.312 541 V C -1.224 174.939 176.094 0.114 0.000 1.085 541 V CA -0.968 61.375 62.300 0.072 0.000 0.945 541 V CB 1.898 33.786 31.823 0.108 0.000 1.017 541 V HN 0.614 nan 8.190 nan 0.000 0.428 542 L N 4.817 126.088 121.223 0.080 0.000 2.333 542 L HA 0.699 5.039 4.340 0.000 0.000 0.280 542 L C -1.059 175.895 176.870 0.140 0.000 1.004 542 L CA -0.017 54.878 54.840 0.093 0.000 0.820 542 L CB 1.272 43.349 42.059 0.031 0.000 1.247 542 L HN 0.568 nan 8.230 nan 0.000 0.416 543 L N 6.247 127.576 121.223 0.176 0.000 2.322 543 L HA 0.586 4.926 4.340 0.000 0.000 0.281 543 L C -0.857 176.108 176.870 0.158 0.000 1.014 543 L CA -0.521 54.475 54.840 0.260 0.000 0.815 543 L CB 1.645 43.838 42.059 0.223 0.000 1.247 543 L HN 0.517 nan 8.230 nan 0.000 0.421 544 L N 4.600 125.969 121.223 0.243 0.000 2.365 544 L HA 0.728 5.068 4.340 0.000 0.000 0.273 544 L C -0.291 176.721 176.870 0.236 0.000 1.000 544 L CA -0.570 54.366 54.840 0.160 0.000 0.819 544 L CB 1.932 44.076 42.059 0.142 0.000 1.284 544 L HN 0.712 nan 8.230 nan 0.000 0.418 545 R N 0.351 120.914 120.500 0.105 0.000 2.781 545 R HA 0.448 4.788 4.340 0.000 0.000 0.269 545 R C -1.691 174.673 176.300 0.107 0.000 1.025 545 R CA -0.958 55.244 56.100 0.170 0.000 0.914 545 R CB 1.785 32.092 30.300 0.012 0.000 1.236 545 R HN 0.444 nan 8.270 nan 0.000 0.465 546 D N 0.101 120.593 120.400 0.154 0.000 2.264 546 D HA 0.133 4.773 4.640 0.000 0.000 0.250 546 D C 0.828 177.162 176.300 0.056 0.000 1.113 546 D CA 0.081 54.131 54.000 0.084 0.000 0.871 546 D CB 1.733 42.578 40.800 0.075 0.000 1.167 546 D HN 0.731 nan 8.370 nan 0.000 0.447 547 G N 3.587 112.393 108.800 0.010 0.000 2.498 547 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 547 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 547 G C 1.491 176.396 174.900 0.008 0.000 1.119 547 G CA 0.197 45.293 45.100 -0.007 0.000 0.766 547 G HN 0.549 nan 8.290 nan 0.000 0.552 548 R N -0.346 120.161 120.500 0.012 0.000 2.241 548 R HA 0.012 4.352 4.340 0.000 0.000 0.224 548 R C 0.713 177.031 176.300 0.029 0.000 1.101 548 R CA 0.669 56.772 56.100 0.005 0.000 0.995 548 R CB -0.194 30.097 30.300 -0.015 0.000 0.870 548 R HN 0.406 nan 8.270 nan 0.000 0.463 549 V N -0.584 119.377 119.914 0.077 0.000 2.370 549 V HA 0.402 4.522 4.120 0.000 0.000 0.279 549 V C -2.503 173.678 176.094 0.145 0.000 1.029 549 V CA -3.323 59.061 62.300 0.140 0.000 0.870 549 V CB 1.394 33.391 31.823 0.289 0.000 0.984 549 V HN -0.151 nan 8.190 nan 0.000 0.451 550 P HA -0.032 nan 4.420 nan 0.000 0.260 550 P C 0.754 178.130 177.300 0.126 0.000 1.172 550 P CA 0.491 63.645 63.100 0.090 0.000 0.760 550 P CB 0.421 32.164 31.700 0.071 0.000 0.773 551 Q N 2.358 122.200 119.800 0.070 0.000 2.368 551 Q HA -0.240 4.100 4.340 0.000 0.000 0.210 551 Q C 0.363 176.427 176.000 0.106 0.000 0.982 551 Q CA 1.777 57.611 55.803 0.052 0.000 0.884 551 Q CB -0.079 28.646 28.738 -0.021 0.000 0.933 551 Q HN 0.472 nan 8.270 nan 0.000 0.460 552 D N 0.393 120.840 120.400 0.078 0.000 2.224 552 D HA -0.138 4.502 4.640 0.000 0.000 0.205 552 D C 1.128 177.457 176.300 0.047 0.000 0.965 552 D CA 0.899 54.928 54.000 0.049 0.000 0.852 552 D CB -0.052 40.758 40.800 0.017 0.000 0.947 552 D HN 0.381 nan 8.370 nan 0.000 0.494 553 E N -0.310 119.936 120.200 0.075 0.000 2.396 553 E HA -0.147 4.203 4.350 0.000 0.000 0.200 553 E C 0.711 177.174 176.600 -0.228 0.000 1.023 553 E CA 0.559 56.932 56.400 -0.046 0.000 0.857 553 E CB -0.139 29.550 29.700 -0.017 0.000 0.775 553 E HN 0.414 nan 8.360 nan 0.000 0.525 554 F N 0.215 120.054 119.950 -0.186 0.000 2.749 554 F HA 0.247 4.774 4.527 0.000 0.000 0.300 554 F C 2.194 177.862 175.800 -0.219 0.000 1.103 554 F CA 0.073 57.922 58.000 -0.252 0.000 1.342 554 F CB -0.107 38.720 39.000 -0.289 0.000 1.098 554 F HN -0.056 nan 8.300 nan 0.000 0.586 555 A N 0.493 123.295 122.820 -0.031 0.000 1.915 555 A HA -0.256 4.064 4.320 0.000 0.000 0.220 555 A C 2.243 179.733 177.584 -0.157 0.000 1.198 555 A CA 2.032 54.022 52.037 -0.079 0.000 0.647 555 A CB -1.043 17.919 19.000 -0.064 0.000 0.825 555 A HN 0.429 nan 8.150 nan 0.000 0.456 556 L N -1.148 119.962 121.223 -0.189 0.000 2.056 556 L HA -0.079 4.261 4.340 0.000 0.000 0.207 556 L C 2.930 179.523 176.870 -0.463 0.000 1.078 556 L CA 1.294 55.965 54.840 -0.283 0.000 0.749 556 L CB -0.359 41.563 42.059 -0.228 0.000 0.901 556 L HN 0.414 nan 8.230 nan 0.000 0.433 557 A N -0.181 122.425 122.820 -0.355 0.000 1.883 557 A HA -0.205 4.115 4.320 0.000 0.000 0.217 557 A C 2.160 179.491 177.584 -0.422 0.000 1.186 557 A CA 1.738 53.564 52.037 -0.350 0.000 0.624 557 A CB -0.830 18.154 19.000 -0.028 0.000 0.822 557 A HN 0.455 nan 8.150 nan 0.000 0.444 558 L N -0.991 120.016 121.223 -0.360 0.000 2.083 558 L HA -0.188 4.152 4.340 0.000 0.000 0.209 558 L C 2.656 179.315 176.870 -0.352 0.000 1.083 558 L CA 1.837 56.378 54.840 -0.499 0.000 0.752 558 L CB -0.634 41.145 42.059 -0.467 0.000 0.899 558 L HN 0.605 nan 8.230 nan 0.000 0.433 559 E N 0.449 120.469 120.200 -0.299 0.000 2.106 559 E HA -0.208 4.142 4.350 0.000 0.000 0.192 559 E C 2.203 178.630 176.600 -0.289 0.000 0.984 559 E CA 1.089 57.351 56.400 -0.230 0.000 0.806 559 E CB 0.103 29.675 29.700 -0.214 0.000 0.750 559 E HN 0.452 nan 8.360 nan 0.000 0.458 560 A N 1.000 123.511 122.820 -0.515 0.000 1.872 560 A HA -0.105 4.215 4.320 0.000 0.000 0.214 560 A C 2.176 179.561 177.584 -0.332 0.000 1.187 560 A CA 0.810 52.463 52.037 -0.641 0.000 0.614 560 A CB -0.603 17.387 19.000 -1.684 0.000 0.826 560 A HN 0.287 nan 8.150 nan 0.000 0.442 561 L N -0.659 120.397 121.223 -0.278 0.000 2.079 561 L HA -0.247 4.093 4.340 0.000 0.000 0.210 561 L C 3.102 179.994 176.870 0.036 0.000 1.081 561 L CA 1.152 55.969 54.840 -0.038 0.000 0.752 561 L CB -0.594 41.440 42.059 -0.043 0.000 0.896 561 L HN 0.476 nan 8.230 nan 0.000 0.433 562 A N 0.173 122.998 122.820 0.008 0.000 1.902 562 A HA -0.205 4.115 4.320 0.000 0.000 0.217 562 A C 2.322 179.924 177.584 0.030 0.000 1.181 562 A CA 1.387 53.460 52.037 0.060 0.000 0.623 562 A CB -0.471 18.560 19.000 0.053 0.000 0.818 562 A HN 0.346 nan 8.150 nan 0.000 0.443 563 R N -0.383 120.110 120.500 -0.011 0.000 2.152 563 R HA -0.093 4.247 4.340 0.000 0.000 0.232 563 R C 1.477 177.800 176.300 0.039 0.000 1.117 563 R CA 1.239 57.341 56.100 0.003 0.000 0.981 563 R CB -0.147 30.140 30.300 -0.021 0.000 0.870 563 R HN 0.514 nan 8.270 nan 0.000 0.451 564 E N -0.838 119.399 120.200 0.061 0.000 2.318 564 E HA 0.026 4.376 4.350 0.000 0.000 0.193 564 E C 1.305 177.960 176.600 0.092 0.000 0.998 564 E CA 0.842 57.300 56.400 0.096 0.000 0.859 564 E CB 0.505 30.289 29.700 0.139 0.000 0.812 564 E HN 0.513 nan 8.360 nan 0.000 0.492 565 G N 1.408 110.260 108.800 0.086 0.000 2.157 565 G HA2 -0.210 3.750 3.960 0.000 0.000 0.239 565 G HA3 -0.210 3.750 3.960 0.000 0.000 0.239 565 G C 0.225 175.186 174.900 0.100 0.000 0.982 565 G CA -0.046 45.103 45.100 0.082 0.000 0.650 565 G HN 0.149 nan 8.290 nan 0.000 0.527 566 I N 2.194 122.842 120.570 0.130 0.000 2.406 566 I HA 0.485 4.655 4.170 0.000 0.000 0.293 566 I C 1.378 177.614 176.117 0.199 0.000 1.101 566 I CA -0.318 61.074 61.300 0.154 0.000 1.334 566 I CB -0.345 37.760 38.000 0.175 0.000 1.421 566 I HN 0.416 nan 8.210 nan 0.000 0.513 567 A N 8.153 131.052 122.820 0.131 0.000 2.429 567 A HA 0.424 4.744 4.320 0.000 0.000 0.242 567 A C -0.376 177.306 177.584 0.162 0.000 1.088 567 A CA 0.306 52.385 52.037 0.071 0.000 0.784 567 A CB 0.225 19.223 19.000 -0.002 0.000 1.038 567 A HN 0.738 nan 8.150 nan 0.000 0.501 568 Y N -2.100 118.228 120.300 0.047 0.000 2.689 568 Y HA 0.704 5.254 4.550 0.000 0.000 0.333 568 Y C -1.448 174.497 175.900 0.075 0.000 1.208 568 Y CA -1.521 56.614 58.100 0.058 0.000 1.055 568 Y CB 1.141 39.639 38.460 0.064 0.000 1.304 568 Y HN 0.503 nan 8.280 nan 0.000 0.455 569 D N 1.902 122.461 120.400 0.265 0.000 2.863 569 D HA 0.338 4.978 4.640 0.000 0.000 0.245 569 D C -1.844 174.629 176.300 0.288 0.000 1.211 569 D CA -0.335 53.815 54.000 0.250 0.000 0.888 569 D CB 3.202 44.090 40.800 0.147 0.000 1.483 569 D HN 0.579 nan 8.370 nan 0.000 0.533 570 L N 2.848 124.235 121.223 0.273 0.000 2.272 570 L HA 0.441 4.781 4.340 0.000 0.000 0.289 570 L C -1.277 175.643 176.870 0.084 0.000 1.032 570 L CA -0.481 54.415 54.840 0.093 0.000 0.810 570 L CB 1.477 43.530 42.059 -0.011 0.000 1.205 570 L HN 0.121 nan 8.230 nan 0.000 0.422 571 V N 4.305 124.231 119.914 0.019 0.000 2.487 571 V HA 0.510 4.630 4.120 0.000 0.000 0.298 571 V C 0.085 176.147 176.094 -0.053 0.000 1.028 571 V CA -0.521 61.797 62.300 0.031 0.000 0.860 571 V CB 1.881 33.748 31.823 0.073 0.000 0.991 571 V HN 0.854 nan 8.190 nan 0.000 0.427 572 S N 3.208 118.867 115.700 -0.069 0.000 2.586 572 S HA 0.728 5.198 4.470 0.000 0.000 0.274 572 S C -0.253 174.305 174.600 -0.070 0.000 1.281 572 S CA -0.426 57.724 58.200 -0.083 0.000 1.035 572 S CB 1.639 64.787 63.200 -0.087 0.000 0.962 572 S HN 0.491 nan 8.310 nan 0.000 0.512 573 V N 3.121 123.011 119.914 -0.041 0.000 2.960 573 V HA 0.755 4.875 4.120 0.000 0.000 0.315 573 V C -0.188 175.889 176.094 -0.029 0.000 1.087 573 V CA -0.903 61.376 62.300 -0.034 0.000 0.982 573 V CB 2.015 33.846 31.823 0.013 0.000 1.039 573 V HN 0.806 nan 8.190 nan 0.000 0.437 574 R N 1.588 122.068 120.500 -0.034 0.000 2.792 574 R HA 0.417 4.757 4.340 0.000 0.000 0.285 574 R C 0.121 176.409 176.300 -0.020 0.000 1.207 574 R CA 0.419 56.502 56.100 -0.028 0.000 1.091 574 R CB 1.455 31.725 30.300 -0.051 0.000 1.263 574 R HN 0.779 nan 8.270 nan 0.000 0.403 575 K N 1.856 122.257 120.400 0.002 0.000 1.968 575 K HA 0.099 4.419 4.320 0.000 0.000 0.215 575 K C 0.720 177.323 176.600 0.006 0.000 1.040 575 K CA 1.694 57.989 56.287 0.014 0.000 0.959 575 K CB -0.626 nan 32.500 nan 0.000 0.740 575 K HN 0.631 nan 8.250 nan 0.000 0.443 576 S N -0.771 114.934 115.700 0.007 0.000 2.580 576 S HA 0.472 4.942 4.470 0.000 0.000 0.274 576 S C 1.214 175.808 174.600 -0.010 0.000 1.329 576 S CA 0.247 58.451 58.200 0.007 0.000 1.036 576 S CB 1.065 64.274 63.200 0.015 0.000 0.919 576 S HN 1.400 nan 8.310 nan 0.000 0.515 577 G N 1.495 110.289 108.800 -0.010 0.000 2.184 577 G HA2 -0.163 3.797 3.960 0.000 0.000 0.206 577 G HA3 -0.163 3.797 3.960 0.000 0.000 0.206 577 G C 0.853 175.730 174.900 -0.039 0.000 0.995 577 G CA 0.188 45.271 45.100 -0.027 0.000 0.651 577 G HN 0.971 nan 8.290 nan 0.000 0.511 578 G N -0.253 108.531 108.800 -0.028 0.000 2.403 578 G HA2 0.468 4.428 3.960 0.000 0.000 0.216 578 G HA3 0.468 4.428 3.960 0.000 0.000 0.216 578 G C 1.648 176.537 174.900 -0.018 0.000 1.154 578 G CA 2.102 47.182 45.100 -0.033 0.000 0.784 578 G HN 2.132 nan 8.290 nan 0.000 0.538 579 G N -0.636 108.162 108.800 -0.004 0.000 2.545 579 G HA2 0.035 3.995 3.960 0.000 0.000 0.211 579 G HA3 0.035 3.995 3.960 0.000 0.000 0.211 579 G C -0.808 174.075 174.900 -0.029 0.000 1.167 579 G CA -0.254 44.851 45.100 0.010 0.000 1.151 579 G HN 0.547 nan 8.290 nan 0.000 0.581 580 R N -1.098 119.354 120.500 -0.080 0.000 2.680 580 R HA 0.670 5.010 4.340 0.000 0.000 0.269 580 R C -1.433 174.689 176.300 -0.296 0.000 1.026 580 R CA -0.500 55.467 56.100 -0.220 0.000 0.889 580 R CB 1.720 31.822 30.300 -0.330 0.000 1.241 580 R HN 0.942 nan 8.270 nan 0.000 0.463 581 V N 2.931 122.621 119.914 -0.374 0.000 2.531 581 V HA 0.525 4.645 4.120 0.000 0.000 0.301 581 V C -1.371 174.558 176.094 -0.274 0.000 1.034 581 V CA -0.779 61.376 62.300 -0.241 0.000 0.865 581 V CB 1.657 33.426 31.823 -0.089 0.000 0.995 581 V HN 0.550 nan 8.190 nan 0.000 0.424 582 Y N 5.335 125.729 120.300 0.158 0.000 2.499 582 Y HA 0.639 5.189 4.550 0.000 0.000 0.347 582 Y C -2.310 173.707 175.900 0.194 0.000 0.987 582 Y CA -2.954 55.275 58.100 0.214 0.000 1.044 582 Y CB 2.339 40.963 38.460 0.272 0.000 1.245 582 Y HN 0.395 nan 8.280 nan 0.000 0.461 583 P HA 0.121 nan 4.420 nan 0.000 0.277 583 P C 0.612 178.036 177.300 0.207 0.000 1.240 583 P CA -0.155 63.055 63.100 0.184 0.000 0.798 583 P CB 2.208 33.984 31.700 0.126 0.000 0.979 584 V N 1.510 121.448 119.914 0.040 0.000 2.237 584 V HA -0.199 3.921 4.120 0.000 0.000 0.245 584 V C 2.016 178.193 176.094 0.137 0.000 1.046 584 V CA 2.072 64.373 62.300 0.002 0.000 1.007 584 V CB -0.631 31.115 31.823 -0.129 0.000 0.638 584 V HN 0.625 nan 8.190 nan 0.000 0.445 585 Q N -2.498 117.363 119.800 0.101 0.000 2.286 585 Q HA 0.221 4.561 4.340 0.000 0.000 0.243 585 Q C 1.326 177.396 176.000 0.116 0.000 0.752 585 Q CA 0.792 56.669 55.803 0.124 0.000 0.950 585 Q CB 0.506 29.295 28.738 0.085 0.000 1.253 585 Q HN 0.562 nan 8.270 nan 0.000 0.492 586 G N 2.353 111.191 108.800 0.064 0.000 3.107 586 G HA2 0.214 4.174 3.960 0.000 0.000 0.155 586 G HA3 0.214 4.174 3.960 0.000 0.000 0.155 586 G C 0.100 174.998 174.900 -0.002 0.000 1.875 586 G CA 0.097 45.217 45.100 0.033 0.000 1.004 586 G HN 0.209 nan 8.290 nan 0.000 0.480 587 R N -1.546 118.923 120.500 -0.051 0.000 2.668 587 R HA 0.568 4.908 4.340 0.000 0.000 0.272 587 R C -1.244 175.005 176.300 -0.085 0.000 1.019 587 R CA -0.908 55.113 56.100 -0.131 0.000 0.894 587 R CB 1.127 31.314 30.300 -0.189 0.000 1.228 587 R HN 0.279 nan 8.270 nan 0.000 0.460 588 L N 2.438 123.607 121.223 -0.090 0.000 2.416 588 L HA 0.403 4.743 4.340 0.000 0.000 0.272 588 L C 0.907 177.752 176.870 -0.042 0.000 1.161 588 L CA -0.425 54.386 54.840 -0.049 0.000 0.845 588 L CB 1.129 43.172 42.059 -0.027 0.000 1.119 588 L HN 0.893 nan 8.230 nan 0.000 0.464 589 A N 2.316 125.120 122.820 -0.026 0.000 2.346 589 A HA 0.309 4.629 4.320 0.000 0.000 0.255 589 A C 1.223 178.813 177.584 0.010 0.000 1.113 589 A CA 0.484 52.515 52.037 -0.010 0.000 0.798 589 A CB -0.179 18.817 19.000 -0.007 0.000 1.073 589 A HN 0.935 nan 8.150 nan 0.000 0.502 590 D N -0.297 120.128 120.400 0.042 0.000 2.104 590 D HA 0.252 4.892 4.640 0.000 0.000 0.194 590 D C 0.962 177.347 176.300 0.142 0.000 0.994 590 D CA 1.628 55.688 54.000 0.100 0.000 0.830 590 D CB -0.360 40.522 40.800 0.136 0.000 0.959 590 D HN 1.220 nan 8.370 nan 0.000 0.452 591 G N -0.893 107.927 108.800 0.034 0.000 2.683 591 G HA2 0.552 4.512 3.960 0.000 0.000 0.299 591 G HA3 0.552 4.512 3.960 0.000 0.000 0.299 591 G C -1.284 173.406 174.900 -0.351 0.000 1.432 591 G CA -0.226 44.677 45.100 -0.329 0.000 0.978 591 G HN 0.311 nan 8.290 nan 0.000 0.513 592 L N 1.369 122.443 121.223 -0.248 0.000 2.341 592 L HA 0.584 4.924 4.340 0.000 0.000 0.267 592 L C -1.103 175.751 176.870 -0.028 0.000 1.009 592 L CA -1.144 53.627 54.840 -0.114 0.000 0.819 592 L CB 2.439 44.470 42.059 -0.047 0.000 1.323 592 L HN 0.564 nan 8.230 nan 0.000 0.425 593 Y N 2.538 122.774 120.300 -0.107 0.000 2.447 593 Y HA 0.656 5.206 4.550 0.000 0.000 0.325 593 Y C -1.295 174.650 175.900 0.075 0.000 0.976 593 Y CA -1.326 56.744 58.100 -0.050 0.000 1.280 593 Y CB 1.165 39.516 38.460 -0.183 0.000 1.104 593 Y HN 0.202 nan 8.280 nan 0.000 0.486 594 V N 9.233 129.064 119.914 -0.137 0.000 2.311 594 V HA 0.400 4.520 4.120 0.000 0.000 0.275 594 V C -2.286 173.677 176.094 -0.218 0.000 1.022 594 V CA -2.032 60.147 62.300 -0.202 0.000 0.830 594 V CB 0.820 32.606 31.823 -0.061 0.000 1.012 594 V HN 0.665 nan 8.190 nan 0.000 0.452 595 P HA 0.356 nan 4.420 nan 0.000 0.272 595 P C -0.270 177.031 177.300 0.001 0.000 1.223 595 P CA 0.206 63.211 63.100 -0.158 0.000 0.784 595 P CB 0.968 32.563 31.700 -0.176 0.000 0.923 596 L N 0.443 121.709 121.223 0.073 0.000 2.532 596 L HA 0.365 4.705 4.340 0.000 0.000 0.245 596 L C 0.267 177.184 176.870 0.077 0.000 1.319 596 L CA -0.922 53.961 54.840 0.071 0.000 1.365 596 L CB 0.373 42.472 42.059 0.067 0.000 1.736 596 L HN 0.282 nan 8.230 nan 0.000 0.517 597 E N 1.028 121.274 120.200 0.077 0.000 2.029 597 E HA 0.238 4.588 4.350 0.000 0.000 0.276 597 E C -0.411 176.223 176.600 0.056 0.000 1.163 597 E CA 0.634 57.077 56.400 0.073 0.000 0.909 597 E CB -0.399 29.357 29.700 0.093 0.000 1.046 597 E HN 0.619 nan 8.360 nan 0.000 0.406 598 D N 4.283 124.719 120.400 0.060 0.000 4.028 598 D HA -0.192 4.448 4.640 0.000 0.000 0.233 598 D C 0.394 176.738 176.300 0.074 0.000 1.080 598 D CA 0.898 54.931 54.000 0.056 0.000 1.181 598 D CB -1.466 nan 40.800 nan 0.000 0.815 598 D HN 0.586 nan 8.370 nan 0.000 0.401 599 K N -1.007 119.463 120.400 0.118 0.000 3.130 599 K HA -0.158 4.162 4.320 0.000 0.000 0.282 599 K C 0.207 176.942 176.600 0.224 0.000 1.145 599 K CA 1.565 57.964 56.287 0.187 0.000 0.831 599 K CB -2.420 30.156 32.500 0.127 0.000 1.226 599 K HN 1.003 nan 8.250 nan 0.000 0.478 600 T N 0.756 115.421 114.554 0.185 0.000 2.887 600 T HA 0.761 5.111 4.350 0.000 0.000 0.288 600 T C -0.344 174.490 174.700 0.224 0.000 1.021 600 T CA -0.654 61.511 62.100 0.109 0.000 1.000 600 T CB 1.162 70.031 68.868 0.003 0.000 1.034 600 T HN 0.247 nan 8.240 nan 0.000 0.467 601 F N 0.261 120.242 119.950 0.051 0.000 2.693 601 F HA 0.740 5.267 4.527 0.000 0.000 0.309 601 F C -2.125 173.705 175.800 0.052 0.000 1.129 601 F CA -1.584 56.447 58.000 0.052 0.000 0.948 601 F CB 0.808 39.910 39.000 0.170 0.000 1.315 601 F HN 0.352 nan 8.300 nan 0.000 0.447 602 L N 2.372 123.707 121.223 0.188 0.000 2.375 602 L HA 0.690 5.030 4.340 0.000 0.000 0.268 602 L C -1.166 175.866 176.870 0.270 0.000 1.058 602 L CA -1.241 53.658 54.840 0.097 0.000 0.803 602 L CB 1.699 43.786 42.059 0.048 0.000 1.212 602 L HN 0.676 nan 8.230 nan 0.000 0.451 603 L N 2.577 123.901 121.223 0.169 0.000 2.406 603 L HA 0.578 4.918 4.340 0.000 0.000 0.272 603 L C -1.279 175.663 176.870 0.121 0.000 0.980 603 L CA -0.257 54.705 54.840 0.203 0.000 0.831 603 L CB 1.781 43.986 42.059 0.243 0.000 1.253 603 L HN 0.371 nan 8.230 nan 0.000 0.406 604 L N 3.842 125.114 121.223 0.081 0.000 2.385 604 L HA 0.803 5.143 4.340 0.000 0.000 0.273 604 L C -0.666 176.263 176.870 0.098 0.000 0.990 604 L CA 0.197 55.080 54.840 0.071 0.000 0.821 604 L CB 2.149 44.227 42.059 0.032 0.000 1.279 604 L HN 0.658 nan 8.230 nan 0.000 0.412 605 T N 3.794 118.442 114.554 0.157 0.000 2.886 605 T HA 0.706 5.056 4.350 0.000 0.000 0.292 605 T C -0.595 174.194 174.700 0.148 0.000 1.012 605 T CA 0.439 62.682 62.100 0.239 0.000 0.982 605 T CB 0.833 69.934 68.868 0.388 0.000 1.018 605 T HN 1.201 nan 8.240 nan 0.000 0.451 614 P HA 0.719 nan 4.420 nan 0.000 0.283 614 P C -1.201 176.129 177.300 0.051 0.000 1.271 614 P CA -0.755 62.388 63.100 0.072 0.000 0.841 614 P CB 1.307 33.042 31.700 0.058 0.000 1.122 615 R N 1.269 121.799 120.500 0.050 0.000 2.265 615 R HA 0.504 4.844 4.340 0.000 0.000 0.328 615 R C -2.347 173.974 176.300 0.035 0.000 0.969 615 R CA -1.632 54.492 56.100 0.039 0.000 0.832 615 R CB 0.146 30.475 30.300 0.047 0.000 1.139 615 R HN 0.328 nan 8.270 nan 0.000 0.457 616 P HA 0.193 nan 4.420 nan 0.000 0.276 616 P C -0.966 176.346 177.300 0.020 0.000 1.252 616 P CA -0.480 62.633 63.100 0.022 0.000 0.802 616 P CB 0.715 32.416 31.700 0.001 0.000 1.035 617 L N 1.283 122.521 121.223 0.025 0.000 2.287 617 L HA 0.394 4.734 4.340 0.000 0.000 0.287 617 L C 0.485 177.320 176.870 -0.058 0.000 1.022 617 L CA -0.728 54.113 54.840 0.003 0.000 0.814 617 L CB 1.158 43.238 42.059 0.035 0.000 1.217 617 L HN 0.288 nan 8.230 nan 0.000 0.420 618 K N 3.575 123.921 120.400 -0.089 0.000 2.234 618 K HA 0.629 4.950 4.320 0.000 0.000 0.282 618 K C -1.308 175.150 176.600 -0.238 0.000 1.039 618 K CA -0.430 55.762 56.287 -0.158 0.000 0.928 618 K CB 0.817 33.242 32.500 -0.125 0.000 1.039 618 K HN 0.336 nan 8.250 nan 0.000 0.470 619 L N 3.538 124.493 121.223 -0.447 0.000 2.370 619 L HA 0.523 4.863 4.340 0.000 0.000 0.266 619 L C -1.188 175.401 176.870 -0.469 0.000 1.002 619 L CA -0.892 53.634 54.840 -0.524 0.000 0.818 619 L CB 2.202 43.764 42.059 -0.829 0.000 1.325 619 L HN 0.282 nan 8.230 nan 0.000 0.418 620 V N 0.457 120.241 119.914 -0.217 0.000 2.577 620 V HA 0.282 4.403 4.120 0.000 0.000 0.303 620 V C -0.562 175.573 176.094 0.069 0.000 1.042 620 V CA -0.611 61.649 62.300 -0.067 0.000 0.872 620 V CB 1.678 33.459 31.823 -0.069 0.000 0.998 620 V HN 0.767 nan 8.190 nan 0.000 0.423 621 H N 4.188 123.287 119.070 0.047 0.000 2.908 621 H HA 0.277 4.833 4.556 0.000 0.000 0.269 621 H C 0.698 176.040 175.328 0.023 0.000 1.303 621 H CA -0.255 55.834 56.048 0.068 0.000 1.341 621 H CB 0.593 30.433 29.762 0.130 0.000 1.519 621 H HN 0.807 nan 8.280 nan 0.000 0.505 622 E N 2.941 123.114 120.200 -0.045 0.000 2.358 622 E HA 0.141 4.491 4.350 0.000 0.000 0.195 622 E C 0.018 176.519 176.600 -0.165 0.000 1.010 622 E CA 0.261 56.593 56.400 -0.113 0.000 0.856 622 E CB 0.570 30.221 29.700 -0.082 0.000 0.795 622 E HN 0.540 nan 8.360 nan 0.000 0.504 623 A N 0.296 122.992 122.820 -0.207 0.000 2.594 623 A HA 0.654 4.974 4.320 0.000 0.000 0.296 623 A C -0.503 176.994 177.584 -0.145 0.000 1.061 623 A CA -0.136 51.815 52.037 -0.143 0.000 0.689 623 A CB 1.599 20.682 19.000 0.139 0.000 1.280 623 A HN 0.150 nan 8.150 nan 0.000 0.406 624 G N 0.275 108.955 108.800 -0.200 0.000 2.525 624 G HA2 0.379 4.339 3.960 0.000 0.000 0.685 624 G HA3 0.379 4.339 3.960 0.000 0.000 0.685 624 G C -0.940 173.971 174.900 0.019 0.000 1.285 624 G CA 0.068 45.117 45.100 -0.085 0.000 0.849 624 G HN 1.121 nan 8.290 nan 0.000 0.653 625 D N 0.322 120.714 120.400 -0.013 0.000 2.895 625 D HA 0.436 5.076 4.640 0.000 0.000 0.258 625 D C 0.375 176.689 176.300 0.023 0.000 1.311 625 D CA 0.137 54.139 54.000 0.003 0.000 0.843 625 D CB 0.173 40.937 40.800 -0.060 0.000 1.055 625 D HN 0.389 nan 8.370 nan 0.000 0.486 626 T N 1.197 115.794 114.554 0.071 0.000 2.824 626 T HA 0.446 4.796 4.350 0.000 0.000 0.282 626 T C -2.546 172.097 174.700 -0.094 0.000 0.993 626 T CA -1.334 60.742 62.100 -0.041 0.000 0.967 626 T CB 2.119 70.925 68.868 -0.103 0.000 0.960 626 T HN -0.017 nan 8.240 nan 0.000 0.441 627 P HA 0.140 nan 4.420 nan 0.000 0.265 627 P C 0.925 178.089 177.300 -0.226 0.000 1.187 627 P CA -0.108 62.920 63.100 -0.120 0.000 0.766 627 P CB 0.549 32.183 31.700 -0.110 0.000 0.820 628 L N 1.879 122.968 121.223 -0.224 0.000 2.131 628 L HA -0.257 4.083 4.340 0.000 0.000 0.210 628 L C 2.702 179.149 176.870 -0.706 0.000 1.092 628 L CA 2.207 56.812 54.840 -0.392 0.000 0.759 628 L CB -1.012 40.921 42.059 -0.211 0.000 0.903 628 L HN 0.509 nan 8.230 nan 0.000 0.435 629 E N 0.366 120.209 120.200 -0.594 0.000 2.051 629 E HA -0.197 4.153 4.350 0.000 0.000 0.192 629 E C 2.263 178.579 176.600 -0.475 0.000 0.991 629 E CA 1.417 57.355 56.400 -0.770 0.000 0.799 629 E CB -0.784 28.668 29.700 -0.413 0.000 0.748 629 E HN 0.576 nan 8.360 nan 0.000 0.449 630 A N 0.142 122.807 122.820 -0.260 0.000 1.873 630 A HA -0.015 4.305 4.320 0.000 0.000 0.218 630 A C 2.455 179.933 177.584 -0.176 0.000 1.193 630 A CA 1.858 53.813 52.037 -0.136 0.000 0.629 630 A CB -0.541 18.390 19.000 -0.116 0.000 0.826 630 A HN 0.437 nan 8.150 nan 0.000 0.447 631 L N -0.415 120.647 121.223 -0.269 0.000 2.012 631 L HA -0.149 4.191 4.340 0.000 0.000 0.210 631 L C 2.999 179.738 176.870 -0.219 0.000 1.073 631 L CA 2.077 56.781 54.840 -0.227 0.000 0.748 631 L CB -1.102 40.794 42.059 -0.272 0.000 0.891 631 L HN 0.419 nan 8.230 nan 0.000 0.431 632 A N -1.592 120.932 122.820 -0.494 0.000 1.908 632 A HA -0.295 4.025 4.320 0.000 0.000 0.218 632 A C 2.190 179.609 177.584 -0.275 0.000 1.181 632 A CA 2.092 53.825 52.037 -0.508 0.000 0.627 632 A CB -0.990 17.253 19.000 -1.262 0.000 0.818 632 A HN 0.617 nan 8.150 nan 0.000 0.445 633 H N -1.554 117.333 119.070 -0.305 0.000 2.357 633 H HA -0.113 4.443 4.556 0.000 0.000 0.301 633 H C 2.305 177.438 175.328 -0.324 0.000 1.082 633 H CA 1.719 57.611 56.048 -0.260 0.000 1.342 633 H CB 0.064 29.637 29.762 -0.316 0.000 1.389 633 H HN 0.687 nan 8.280 nan 0.000 0.511 634 Q N 0.271 119.988 119.800 -0.139 0.000 2.123 634 Q HA -0.113 4.227 4.340 0.000 0.000 0.199 634 Q C 1.771 177.695 176.000 -0.127 0.000 0.966 634 Q CA 1.132 56.791 55.803 -0.240 0.000 0.845 634 Q CB 0.215 28.828 28.738 -0.209 0.000 0.907 634 Q HN 0.397 nan 8.270 nan 0.000 0.439 635 I N 0.266 120.831 120.570 -0.008 0.000 2.202 635 I HA -0.206 3.964 4.170 0.000 0.000 0.242 635 I C 2.166 178.365 176.117 0.138 0.000 1.091 635 I CA 1.027 62.366 61.300 0.064 0.000 1.368 635 I CB -1.336 36.745 38.000 0.136 0.000 1.058 635 I HN 0.287 nan 8.210 nan 0.000 0.410 636 F N 2.307 122.284 119.950 0.046 0.000 2.091 636 F HA -0.265 4.262 4.527 0.000 0.000 0.299 636 F C 2.798 178.710 175.800 0.187 0.000 1.103 636 F CA 1.937 60.008 58.000 0.119 0.000 1.228 636 F CB -0.825 38.258 39.000 0.139 0.000 0.984 636 F HN 0.199 nan 8.300 nan 0.000 0.477 637 H N -0.632 118.405 119.070 -0.055 0.000 2.421 637 H HA -0.112 4.444 4.556 0.000 0.000 0.298 637 H C 2.362 177.570 175.328 -0.201 0.000 1.087 637 H CA 1.116 57.054 56.048 -0.184 0.000 1.330 637 H CB -0.169 29.540 29.762 -0.088 0.000 1.388 637 H HN 0.308 nan 8.280 nan 0.000 0.526 638 L N -0.042 121.158 121.223 -0.038 0.000 2.217 638 L HA -0.121 4.219 4.340 0.000 0.000 0.211 638 L C 2.283 179.129 176.870 -0.040 0.000 1.107 638 L CA 0.850 55.647 54.840 -0.071 0.000 0.783 638 L CB -0.019 41.994 42.059 -0.077 0.000 0.919 638 L HN 0.223 nan 8.230 nan 0.000 0.442 639 T N -1.432 113.095 114.554 -0.046 0.000 3.014 639 T HA -0.041 4.309 4.350 0.000 0.000 0.263 639 T C 2.022 176.669 174.700 -0.089 0.000 1.078 639 T CA 0.450 62.538 62.100 -0.019 0.000 1.135 639 T CB 0.033 68.909 68.868 0.014 0.000 0.895 639 T HN 0.139 nan 8.240 nan 0.000 0.480 640 R N 0.950 121.308 120.500 -0.238 0.000 2.115 640 R HA 0.018 4.358 4.340 0.000 0.000 0.230 640 R C 0.434 176.665 176.300 -0.116 0.000 1.111 640 R CA 0.618 56.570 56.100 -0.248 0.000 0.976 640 R CB -0.561 29.506 30.300 -0.388 0.000 0.870 640 R HN 0.384 nan 8.270 nan 0.000 0.445 641 L N -2.365 118.820 121.223 -0.064 0.000 2.294 641 L HA 0.385 4.725 4.340 0.000 0.000 0.283 641 L C 0.006 176.925 176.870 0.082 0.000 1.015 641 L CA -1.022 53.817 54.840 -0.001 0.000 0.831 641 L CB 0.434 42.486 42.059 -0.012 0.000 1.217 641 L HN -0.094 nan 8.230 nan 0.000 0.420 642 Y N 0.000 120.278 120.300 -0.036 0.000 2.660 642 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 642 Y CA 0.000 58.099 58.100 -0.001 0.000 1.940 642 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 642 Y HN 0.000 nan 8.280 nan 0.000 0.758