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 1uwt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE XXXKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.918 176.300 -0.636 0.000 1.140 1 M CA 0.000 55.096 55.300 -0.340 0.000 0.988 1 M CB 0.000 32.498 32.600 -0.170 0.000 1.302 2 Y N 1.370 121.575 120.300 -0.157 0.000 2.555 2 Y HA 0.478 5.028 4.550 -0.000 0.000 0.326 2 Y C -0.151 175.579 175.900 -0.283 0.000 0.984 2 Y CA -0.500 57.318 58.100 -0.471 0.000 1.298 2 Y CB 1.925 40.030 38.460 -0.591 0.000 1.094 2 Y HN 0.424 nan 8.280 nan 0.000 0.500 3 S N 3.566 119.265 115.700 -0.002 0.000 2.508 3 S HA 0.568 5.038 4.470 -0.000 0.000 0.284 3 S C -0.605 174.055 174.600 0.100 0.000 1.192 3 S CA -0.522 57.764 58.200 0.144 0.000 1.070 3 S CB 0.517 63.779 63.200 0.105 0.000 1.004 3 S HN 0.340 nan 8.310 nan 0.000 0.493 4 F N 2.278 122.321 119.950 0.154 0.000 2.408 4 F HA 0.472 4.999 4.527 -0.000 0.000 0.325 4 F C -1.802 174.004 175.800 0.009 0.000 1.082 4 F CA -2.045 55.944 58.000 -0.019 0.000 1.032 4 F CB 0.062 38.938 39.000 -0.206 0.000 1.259 4 F HN 0.328 nan 8.300 nan 0.000 0.503 5 P HA 0.058 nan 4.420 nan 0.000 0.268 5 P C 0.233 177.639 177.300 0.175 0.000 1.208 5 P CA -0.010 63.157 63.100 0.112 0.000 0.777 5 P CB 0.545 32.295 31.700 0.084 0.000 0.875 6 N N 0.267 119.035 118.700 0.113 0.000 2.364 6 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 6 N C 1.260 176.825 175.510 0.092 0.000 1.022 6 N CA 1.486 54.600 53.050 0.107 0.000 0.883 6 N CB -0.336 38.190 38.487 0.065 0.000 0.965 6 N HN 0.479 nan 8.380 nan 0.000 0.438 7 S N -0.522 115.219 115.700 0.068 0.000 2.558 7 S HA 0.071 4.541 4.470 -0.000 0.000 0.217 7 S C 0.509 175.104 174.600 -0.009 0.000 0.975 7 S CA -0.550 57.650 58.200 0.001 0.000 0.912 7 S CB -0.428 62.743 63.200 -0.048 0.000 0.776 7 S HN 0.180 nan 8.310 nan 0.000 0.526 8 F N 3.419 123.327 119.950 -0.070 0.000 2.529 8 F HA 0.393 4.920 4.527 -0.000 0.000 0.365 8 F C 0.699 176.388 175.800 -0.184 0.000 1.102 8 F CA -0.373 57.550 58.000 -0.129 0.000 1.271 8 F CB 0.505 39.471 39.000 -0.057 0.000 1.120 8 F HN -0.023 nan 8.300 nan 0.000 0.579 9 R N 5.255 125.381 120.500 -0.623 0.000 2.637 9 R HA 0.440 4.780 4.340 -0.000 0.000 0.291 9 R C -1.593 174.400 176.300 -0.513 0.000 0.963 9 R CA -0.876 55.002 56.100 -0.369 0.000 0.901 9 R CB 1.592 31.740 30.300 -0.253 0.000 1.160 9 R HN 0.483 nan 8.270 nan 0.000 0.457 10 F N 0.365 120.336 119.950 0.036 0.000 2.421 10 F HA 0.655 5.182 4.527 -0.000 0.000 0.337 10 F C 1.056 176.956 175.800 0.166 0.000 1.105 10 F CA 0.079 58.181 58.000 0.171 0.000 1.049 10 F CB 2.093 41.157 39.000 0.106 0.000 1.139 10 F HN 0.677 nan 8.300 nan 0.000 0.479 11 G N 1.509 110.608 108.800 0.497 0.000 2.791 11 G HA2 0.453 4.413 3.960 -0.000 0.000 0.158 11 G HA3 0.453 4.413 3.960 -0.000 0.000 0.158 11 G C -2.225 173.065 174.900 0.650 0.000 1.193 11 G CA -0.434 44.962 45.100 0.495 0.000 1.032 11 G HN 0.769 nan 8.290 nan 0.000 0.557 12 W N -0.241 121.176 121.300 0.195 0.000 3.074 12 W HA 0.822 5.482 4.660 -0.000 0.000 0.332 12 W C -1.168 175.406 176.519 0.090 0.000 1.253 12 W CA -0.838 56.601 57.345 0.156 0.000 1.180 12 W CB 1.192 30.735 29.460 0.138 0.000 1.445 12 W HN 0.590 nan 8.180 nan 0.000 0.573 13 S N 1.737 117.482 115.700 0.076 0.000 2.566 13 S HA 0.685 5.155 4.470 -0.000 0.000 0.298 13 S C -0.991 173.566 174.600 -0.073 0.000 1.083 13 S CA -0.854 57.341 58.200 -0.008 0.000 0.978 13 S CB 1.837 65.226 63.200 0.316 0.000 1.073 13 S HN 0.570 nan 8.310 nan 0.000 0.491 14 Q N 0.367 120.132 119.800 -0.058 0.000 2.630 14 Q HA 0.815 5.155 4.340 -0.000 0.000 0.295 14 Q C -1.904 174.137 176.000 0.069 0.000 0.944 14 Q CA -1.290 54.392 55.803 -0.201 0.000 0.766 14 Q CB 1.523 30.189 28.738 -0.120 0.000 1.471 14 Q HN 0.665 nan 8.270 nan 0.000 0.416 15 A N 0.084 122.918 122.820 0.022 0.000 2.374 15 A HA 0.754 5.074 4.320 -0.000 0.000 0.317 15 A C 0.646 178.247 177.584 0.028 0.000 1.094 15 A CA -0.124 51.838 52.037 -0.124 0.000 0.765 15 A CB 1.331 19.973 19.000 -0.597 0.000 1.268 15 A HN 0.956 nan 8.150 nan 0.000 0.438 16 G N 0.105 109.002 108.800 0.162 0.000 2.421 16 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 16 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 16 G C 1.233 176.268 174.900 0.225 0.000 1.171 16 G CA 1.467 46.741 45.100 0.290 0.000 0.775 16 G HN 0.755 nan 8.290 nan 0.000 0.543 17 F N 1.290 121.263 119.950 0.038 0.000 2.234 17 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 17 F C 2.869 178.564 175.800 -0.175 0.000 1.087 17 F CA 1.641 59.619 58.000 -0.036 0.000 1.340 17 F CB 0.002 38.987 39.000 -0.024 0.000 1.031 17 F HN 0.187 nan 8.300 nan 0.000 0.500 18 Q N -1.138 118.534 119.800 -0.213 0.000 2.187 18 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 18 Q C 1.991 177.950 176.000 -0.068 0.000 0.957 18 Q CA 1.564 57.199 55.803 -0.280 0.000 0.857 18 Q CB 0.021 28.606 28.738 -0.255 0.000 0.929 18 Q HN 0.294 nan 8.270 nan 0.000 0.453 19 S N -0.277 115.425 115.700 0.004 0.000 2.524 19 S HA 0.052 4.522 4.470 -0.000 0.000 0.222 19 S C 1.320 176.022 174.600 0.171 0.000 1.040 19 S CA -0.166 58.098 58.200 0.106 0.000 0.915 19 S CB 0.419 63.641 63.200 0.038 0.000 0.831 19 S HN 0.254 nan 8.310 nan 0.000 0.492 20 E N 1.264 121.567 120.200 0.171 0.000 2.047 20 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 20 E C 0.372 177.070 176.600 0.163 0.000 0.987 20 E CA 0.749 57.311 56.400 0.269 0.000 0.799 20 E CB -0.029 29.825 29.700 0.255 0.000 0.752 20 E HN 0.432 nan 8.360 nan 0.000 0.449 21 M N -0.867 118.748 119.600 0.025 0.000 2.226 21 M HA 0.175 4.655 4.480 -0.000 0.000 0.324 21 M C 0.975 177.311 176.300 0.061 0.000 1.112 21 M CA 0.981 56.274 55.300 -0.011 0.000 1.176 21 M CB 1.176 33.719 32.600 -0.094 0.000 1.430 21 M HN 0.354 nan 8.290 nan 0.000 0.462 22 G N 0.003 108.837 108.800 0.057 0.000 3.006 22 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.195 22 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.195 22 G C 0.016 174.961 174.900 0.076 0.000 1.034 22 G CA -0.091 45.056 45.100 0.078 0.000 0.807 22 G HN 0.757 nan 8.290 nan 0.000 0.469 23 T N 1.603 116.214 114.554 0.095 0.000 2.806 23 T HA 0.628 4.977 4.350 -0.000 0.000 0.290 23 T C -2.700 172.044 174.700 0.074 0.000 0.966 23 T CA -1.658 60.496 62.100 0.089 0.000 1.060 23 T CB 2.043 70.982 68.868 0.118 0.000 0.927 23 T HN 0.094 nan 8.240 nan 0.000 0.485 24 P HA 0.246 nan 4.420 nan 0.000 0.264 24 P C 1.189 178.523 177.300 0.056 0.000 1.183 24 P CA 1.098 64.223 63.100 0.042 0.000 0.763 24 P CB 0.123 31.843 31.700 0.033 0.000 0.807 25 G N 2.007 110.826 108.800 0.032 0.000 2.176 25 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 25 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 25 G C 0.889 175.780 174.900 -0.016 0.000 0.986 25 G CA 0.400 45.522 45.100 0.036 0.000 0.643 25 G HN 0.634 nan 8.290 nan 0.000 0.522 26 S N -0.470 115.181 115.700 -0.082 0.000 2.524 26 S HA 0.400 4.870 4.470 -0.000 0.000 0.215 26 S C 0.469 174.798 174.600 -0.452 0.000 0.986 26 S CA 0.565 58.520 58.200 -0.409 0.000 0.911 26 S CB 0.550 63.660 63.200 -0.150 0.000 0.805 26 S HN 0.397 nan 8.310 nan 0.000 0.501 27 E N 2.768 122.828 120.200 -0.233 0.000 2.417 27 E HA 0.300 4.650 4.350 -0.000 0.000 0.261 27 E C -0.713 175.739 176.600 -0.248 0.000 1.000 27 E CA 0.302 56.602 56.400 -0.168 0.000 0.919 27 E CB 0.371 30.021 29.700 -0.084 0.000 0.955 27 E HN 0.257 nan 8.360 nan 0.000 0.455 28 D N 4.414 124.674 120.400 -0.233 0.000 2.438 28 D HA 0.180 4.820 4.640 -0.000 0.000 0.257 28 D C -2.093 173.955 176.300 -0.420 0.000 1.148 28 D CA -2.283 51.572 54.000 -0.242 0.000 0.902 28 D CB 1.088 41.807 40.800 -0.134 0.000 1.062 28 D HN 0.143 nan 8.370 nan 0.000 0.518 29 P HA 0.096 nan 4.420 nan 0.000 0.249 29 P C -0.092 176.892 177.300 -0.526 0.000 1.229 29 P CA -0.002 62.341 63.100 -1.261 0.000 0.788 29 P CB 0.375 31.588 31.700 -0.811 0.000 1.072 30 N N 0.813 119.378 118.700 -0.225 0.000 2.455 30 N HA 0.064 4.804 4.740 -0.000 0.000 0.258 30 N C 0.418 175.940 175.510 0.020 0.000 1.158 30 N CA 0.379 53.397 53.050 -0.054 0.000 0.893 30 N CB 0.237 38.727 38.487 0.005 0.000 1.173 30 N HN 0.291 nan 8.380 nan 0.000 0.503 31 T N -3.066 111.540 114.554 0.086 0.000 2.930 31 T HA 0.239 4.589 4.350 -0.000 0.000 0.290 31 T C 0.986 175.763 174.700 0.129 0.000 1.052 31 T CA -0.801 61.370 62.100 0.118 0.000 1.017 31 T CB 1.968 70.965 68.868 0.215 0.000 1.137 31 T HN -0.077 nan 8.240 nan 0.000 0.511 32 D N 0.169 120.596 120.400 0.046 0.000 2.123 32 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 32 D C 1.484 177.812 176.300 0.047 0.000 0.992 32 D CA 1.191 55.166 54.000 -0.041 0.000 0.833 32 D CB -0.654 40.026 40.800 -0.201 0.000 0.954 32 D HN 0.722 nan 8.370 nan 0.000 0.455 33 W N 0.029 121.328 121.300 -0.002 0.000 2.358 33 W HA -0.142 4.518 4.660 -0.000 0.000 0.303 33 W C 2.437 179.122 176.519 0.277 0.000 1.208 33 W CA 1.073 58.404 57.345 -0.024 0.000 1.274 33 W CB -0.667 28.447 29.460 -0.576 0.000 1.138 33 W HN -0.012 nan 8.180 nan 0.000 0.515 34 Y N 1.379 121.964 120.300 0.474 0.000 2.097 34 Y HA -0.336 4.214 4.550 -0.000 0.000 0.282 34 Y C 2.577 178.746 175.900 0.450 0.000 1.152 34 Y CA 2.602 61.044 58.100 0.569 0.000 1.136 34 Y CB -0.698 37.993 38.460 0.386 0.000 0.975 34 Y HN -0.124 nan 8.280 nan 0.000 0.498 35 K N -0.251 120.442 120.400 0.488 0.000 2.026 35 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 35 K C 2.313 179.060 176.600 0.245 0.000 1.048 35 K CA 1.760 58.230 56.287 0.306 0.000 0.929 35 K CB -0.869 31.740 32.500 0.181 0.000 0.713 35 K HN 0.628 nan 8.250 nan 0.000 0.439 36 W N 1.694 123.008 121.300 0.024 0.000 2.335 36 W HA -0.225 4.435 4.660 -0.000 0.000 0.311 36 W C 1.627 178.158 176.519 0.019 0.000 1.213 36 W CA 2.275 59.573 57.345 -0.079 0.000 1.274 36 W CB -0.115 29.146 29.460 -0.332 0.000 1.148 36 W HN 0.105 nan 8.180 nan 0.000 0.498 37 V N -2.074 118.000 119.914 0.267 0.000 3.306 37 V HA -0.089 4.031 4.120 -0.000 0.000 0.264 37 V C 1.404 177.440 176.094 -0.096 0.000 1.149 37 V CA 1.709 64.095 62.300 0.144 0.000 1.143 37 V CB -1.060 31.008 31.823 0.408 0.000 0.767 37 V HN 0.072 nan 8.190 nan 0.000 0.476 38 H N 0.303 119.330 119.070 -0.073 0.000 2.548 38 H HA 0.279 4.835 4.556 -0.000 0.000 0.265 38 H C 0.574 175.846 175.328 -0.093 0.000 0.969 38 H CA 0.329 56.315 56.048 -0.103 0.000 1.155 38 H CB -0.113 29.574 29.762 -0.124 0.000 1.394 38 H HN 0.564 nan 8.280 nan 0.000 0.570 39 D N 0.892 121.260 120.400 -0.054 0.000 2.401 39 D HA -0.011 4.629 4.640 -0.000 0.000 0.254 39 D C -1.495 174.727 176.300 -0.129 0.000 1.192 39 D CA -1.547 52.383 54.000 -0.117 0.000 0.885 39 D CB 1.237 41.882 40.800 -0.258 0.000 1.147 39 D HN 0.010 nan 8.370 nan 0.000 0.478 40 P HA -0.170 nan 4.420 nan 0.000 0.216 40 P C 0.685 177.926 177.300 -0.098 0.000 1.153 40 P CA 1.266 64.323 63.100 -0.072 0.000 0.858 40 P CB 0.195 31.868 31.700 -0.044 0.000 0.789 41 E N -1.136 118.992 120.200 -0.121 0.000 2.072 41 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 41 E C 1.866 178.361 176.600 -0.174 0.000 0.985 41 E CA 0.761 57.085 56.400 -0.126 0.000 0.801 41 E CB -0.434 29.194 29.700 -0.120 0.000 0.750 41 E HN 0.199 nan 8.360 nan 0.000 0.452 42 N N 0.461 118.994 118.700 -0.279 0.000 2.149 42 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 42 N C 1.713 177.096 175.510 -0.212 0.000 1.019 42 N CA 1.168 54.004 53.050 -0.356 0.000 0.857 42 N CB -0.095 37.988 38.487 -0.673 0.000 0.997 42 N HN 0.204 nan 8.380 nan 0.000 0.426 43 M N 0.113 119.613 119.600 -0.167 0.000 2.099 43 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 43 M C 2.173 178.430 176.300 -0.071 0.000 1.067 43 M CA 1.296 56.535 55.300 -0.102 0.000 1.124 43 M CB -0.205 32.343 32.600 -0.087 0.000 1.353 43 M HN 0.127 nan 8.290 nan 0.000 0.410 44 A N 0.279 123.056 122.820 -0.071 0.000 1.933 44 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 44 A C 2.257 179.815 177.584 -0.043 0.000 1.175 44 A CA 1.804 53.811 52.037 -0.049 0.000 0.628 44 A CB -0.802 18.169 19.000 -0.047 0.000 0.814 44 A HN 0.511 nan 8.150 nan 0.000 0.444 45 A N -1.781 121.005 122.820 -0.057 0.000 2.119 45 A HA 0.360 4.680 4.320 -0.000 0.000 0.217 45 A C 1.990 179.561 177.584 -0.021 0.000 1.153 45 A CA 1.371 53.383 52.037 -0.041 0.000 0.692 45 A CB -0.984 17.981 19.000 -0.058 0.000 0.799 45 A HN 1.898 nan 8.150 nan 0.000 0.458 46 G N -1.156 107.630 108.800 -0.024 0.000 2.155 46 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 46 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 46 G C 0.790 175.707 174.900 0.027 0.000 0.983 46 G CA 0.583 45.684 45.100 0.002 0.000 0.676 46 G HN 0.447 nan 8.290 nan 0.000 0.528 47 L N -0.520 120.708 121.223 0.008 0.000 2.141 47 L HA 0.144 4.484 4.340 -0.000 0.000 0.209 47 L C 1.693 178.631 176.870 0.115 0.000 1.094 47 L CA 1.590 56.469 54.840 0.066 0.000 0.763 47 L CB -0.288 41.780 42.059 0.015 0.000 0.908 47 L HN 0.498 nan 8.230 nan 0.000 0.437 48 V N -5.230 114.702 119.914 0.030 0.000 2.960 48 V HA 0.363 4.483 4.120 -0.000 0.000 0.315 48 V C 1.023 177.142 176.094 0.042 0.000 1.087 48 V CA -0.248 62.101 62.300 0.082 0.000 0.982 48 V CB 1.601 33.452 31.823 0.046 0.000 1.039 48 V HN 0.125 nan 8.190 nan 0.000 0.437 49 S N 0.791 116.519 115.700 0.047 0.000 2.453 49 S HA 0.223 4.693 4.470 -0.000 0.000 0.231 49 S C 1.685 176.285 174.600 -0.000 0.000 1.005 49 S CA 1.324 59.531 58.200 0.012 0.000 0.949 49 S CB -0.180 63.005 63.200 -0.025 0.000 0.774 49 S HN 2.731 nan 8.310 nan 0.000 0.510 50 G N 0.703 109.499 108.800 -0.007 0.000 2.234 50 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 50 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 50 G C -0.355 174.534 174.900 -0.018 0.000 0.997 50 G CA 0.049 45.132 45.100 -0.028 0.000 0.623 50 G HN 0.547 nan 8.290 nan 0.000 0.514 51 D N 0.577 120.992 120.400 0.025 0.000 2.362 51 D HA 0.579 5.219 4.640 -0.000 0.000 0.242 51 D C 0.764 177.101 176.300 0.062 0.000 1.132 51 D CA 0.362 54.416 54.000 0.091 0.000 0.907 51 D CB 0.945 41.796 40.800 0.085 0.000 1.195 51 D HN 0.374 nan 8.370 nan 0.000 0.429 52 L N 2.608 123.822 121.223 -0.015 0.000 2.386 52 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 52 L C -1.564 175.012 176.870 -0.490 0.000 0.993 52 L CA -1.716 52.929 54.840 -0.325 0.000 0.819 52 L CB 2.679 44.539 42.059 -0.331 0.000 1.294 52 L HN 0.191 nan 8.230 nan 0.000 0.414 53 P HA -0.148 nan 4.420 nan 0.000 0.223 53 P C 0.797 177.886 177.300 -0.352 0.000 1.151 53 P CA 0.953 63.401 63.100 -1.087 0.000 0.787 53 P CB 0.196 31.000 31.700 -1.493 0.000 0.788 54 E N 0.800 120.912 120.200 -0.146 0.000 2.409 54 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 54 E C 0.477 177.080 176.600 0.005 0.000 1.024 54 E CA 0.790 57.188 56.400 -0.003 0.000 0.861 54 E CB -1.339 28.426 29.700 0.107 0.000 0.788 54 E HN 0.408 nan 8.360 nan 0.000 0.521 55 N N 1.064 119.768 118.700 0.006 0.000 2.295 55 N HA 0.147 4.887 4.740 -0.000 0.000 0.221 55 N C 0.603 176.017 175.510 -0.160 0.000 1.129 55 N CA 0.028 53.051 53.050 -0.045 0.000 0.836 55 N CB 0.795 39.242 38.487 -0.067 0.000 1.040 55 N HN 0.196 nan 8.380 nan 0.000 0.494 56 G N 1.499 110.323 108.800 0.040 0.000 2.489 56 G HA2 0.091 4.051 3.960 -0.000 0.000 0.271 56 G HA3 0.091 4.051 3.960 -0.000 0.000 0.271 56 G C -1.367 173.716 174.900 0.305 0.000 1.427 56 G CA -0.670 44.537 45.100 0.178 0.000 1.057 56 G HN -0.041 nan 8.290 nan 0.000 0.532 57 P HA 0.081 nan 4.420 nan 0.000 0.236 57 P C 0.945 178.438 177.300 0.322 0.000 1.177 57 P CA 1.207 64.522 63.100 0.358 0.000 0.773 57 P CB 0.394 32.339 31.700 0.409 0.000 0.878 58 G N 0.165 109.126 108.800 0.269 0.000 2.248 58 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 58 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 58 G C 0.371 175.397 174.900 0.210 0.000 1.082 58 G CA 0.147 45.379 45.100 0.220 0.000 0.863 58 G HN 0.273 nan 8.290 nan 0.000 0.495 59 Y N -0.815 119.465 120.300 -0.034 0.000 2.274 59 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 59 Y C 2.373 178.289 175.900 0.026 0.000 1.145 59 Y CA 2.229 60.110 58.100 -0.365 0.000 1.203 59 Y CB -0.153 37.970 38.460 -0.563 0.000 0.984 59 Y HN 0.558 nan 8.280 nan 0.000 0.533 60 W N 0.715 121.979 121.300 -0.060 0.000 2.317 60 W HA -0.250 4.410 4.660 -0.000 0.000 0.318 60 W C 2.130 178.713 176.519 0.107 0.000 1.227 60 W CA 2.044 59.353 57.345 -0.061 0.000 1.269 60 W CB -0.762 28.628 29.460 -0.117 0.000 1.155 60 W HN 0.263 nan 8.180 nan 0.000 0.484 61 G N -0.692 108.220 108.800 0.186 0.000 2.453 61 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 61 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 61 G C 1.003 175.846 174.900 -0.095 0.000 1.147 61 G CA 0.499 45.639 45.100 0.068 0.000 0.802 61 G HN 0.141 nan 8.290 nan 0.000 0.535 62 N N 0.084 118.730 118.700 -0.089 0.000 2.238 62 N HA 0.098 4.838 4.740 -0.000 0.000 0.222 62 N C 1.380 176.756 175.510 -0.224 0.000 1.133 62 N CA -0.313 52.663 53.050 -0.123 0.000 0.854 62 N CB 0.115 38.666 38.487 0.106 0.000 1.041 62 N HN 0.588 nan 8.380 nan 0.000 0.510 63 Y N 0.951 120.952 120.300 -0.498 0.000 2.241 63 Y HA -0.096 4.454 4.550 -0.000 0.000 0.286 63 Y C 1.769 177.321 175.900 -0.579 0.000 1.166 63 Y CA 1.041 58.640 58.100 -0.834 0.000 1.203 63 Y CB -0.490 37.151 38.460 -1.366 0.000 0.977 63 Y HN -0.133 nan 8.280 nan 0.000 0.529 64 K N 0.181 120.091 120.400 -0.815 0.000 2.057 64 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 64 K C 2.039 178.572 176.600 -0.112 0.000 1.049 64 K CA 1.931 57.984 56.287 -0.391 0.000 0.931 64 K CB -0.536 31.715 32.500 -0.416 0.000 0.714 64 K HN 0.409 nan 8.250 nan 0.000 0.440 65 T N 1.297 115.802 114.554 -0.082 0.000 2.746 65 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 65 T C 1.651 176.414 174.700 0.105 0.000 1.039 65 T CA 1.299 63.410 62.100 0.019 0.000 1.142 65 T CB -0.320 68.557 68.868 0.016 0.000 0.866 65 T HN 0.045 nan 8.240 nan 0.000 0.444 66 F N 1.399 121.309 119.950 -0.067 0.000 2.069 66 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 66 F C 2.423 178.248 175.800 0.041 0.000 1.113 66 F CA 1.203 59.190 58.000 -0.021 0.000 1.214 66 F CB -0.963 38.136 39.000 0.164 0.000 0.978 66 F HN 0.418 nan 8.300 nan 0.000 0.474 67 H N -1.337 117.927 119.070 0.324 0.000 2.387 67 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 67 H C 1.751 177.161 175.328 0.137 0.000 1.090 67 H CA 0.774 56.972 56.048 0.251 0.000 1.332 67 H CB -0.104 29.827 29.762 0.282 0.000 1.386 67 H HN 0.146 nan 8.280 nan 0.000 0.516 68 D N 0.371 120.899 120.400 0.212 0.000 2.104 68 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 68 D C 1.875 178.256 176.300 0.134 0.000 0.994 68 D CA 0.820 54.900 54.000 0.133 0.000 0.830 68 D CB -0.272 40.574 40.800 0.076 0.000 0.959 68 D HN 0.352 nan 8.370 nan 0.000 0.452 69 N N 0.384 119.150 118.700 0.109 0.000 2.188 69 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 69 N C 1.754 177.296 175.510 0.053 0.000 1.018 69 N CA 1.037 54.170 53.050 0.139 0.000 0.858 69 N CB -0.093 38.384 38.487 -0.017 0.000 0.989 69 N HN 0.096 nan 8.380 nan 0.000 0.426 70 A N 1.237 124.027 122.820 -0.051 0.000 1.902 70 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 70 A C 2.203 179.839 177.584 0.087 0.000 1.181 70 A CA 1.474 53.467 52.037 -0.074 0.000 0.623 70 A CB -0.726 18.192 19.000 -0.136 0.000 0.818 70 A HN 0.365 nan 8.150 nan 0.000 0.443 71 Q N -0.198 119.682 119.800 0.134 0.000 2.050 71 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 71 Q C 1.977 178.054 176.000 0.129 0.000 0.980 71 Q CA 2.018 57.899 55.803 0.131 0.000 0.840 71 Q CB -0.161 28.651 28.738 0.124 0.000 0.898 71 Q HN 0.661 nan 8.270 nan 0.000 0.424 72 K N -0.080 120.418 120.400 0.164 0.000 2.152 72 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 72 K C 1.879 178.642 176.600 0.271 0.000 1.048 72 K CA 1.400 57.801 56.287 0.191 0.000 0.933 72 K CB -0.118 32.516 32.500 0.223 0.000 0.721 72 K HN 0.324 nan 8.250 nan 0.000 0.447 73 M N -0.451 119.321 119.600 0.287 0.000 2.618 73 M HA 0.006 4.486 4.480 -0.000 0.000 0.240 73 M C 0.443 176.774 176.300 0.050 0.000 1.123 73 M CA 0.804 56.231 55.300 0.212 0.000 1.060 73 M CB 0.446 33.027 32.600 -0.032 0.000 1.535 73 M HN 0.386 nan 8.290 nan 0.000 0.507 74 G N 1.248 110.088 108.800 0.067 0.000 2.136 74 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 74 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 74 G C -0.054 174.870 174.900 0.041 0.000 0.989 74 G CA -0.036 45.089 45.100 0.041 0.000 0.682 74 G HN 0.446 nan 8.290 nan 0.000 0.522 75 L N -0.378 120.882 121.223 0.063 0.000 2.417 75 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 75 L C 1.324 178.296 176.870 0.170 0.000 1.158 75 L CA -0.091 54.829 54.840 0.133 0.000 0.819 75 L CB 1.064 43.267 42.059 0.240 0.000 1.112 75 L HN 0.003 nan 8.230 nan 0.000 0.458 76 K N 2.973 123.473 120.400 0.166 0.000 2.483 76 K HA 0.448 4.768 4.320 -0.000 0.000 0.206 76 K C -0.272 176.391 176.600 0.106 0.000 1.086 76 K CA -0.165 56.196 56.287 0.124 0.000 1.052 76 K CB 0.701 33.255 32.500 0.089 0.000 0.904 76 K HN 0.582 nan 8.250 nan 0.000 0.557 77 I N -0.539 120.096 120.570 0.109 0.000 2.913 77 I HA 0.694 4.864 4.170 -0.000 0.000 0.302 77 I C -2.143 173.919 176.117 -0.090 0.000 1.246 77 I CA -1.060 60.259 61.300 0.032 0.000 1.010 77 I CB 2.116 40.091 38.000 -0.042 0.000 1.259 77 I HN 0.121 nan 8.210 nan 0.000 0.434 78 A N 6.138 128.806 122.820 -0.253 0.000 2.488 78 A HA 0.746 5.066 4.320 -0.000 0.000 0.298 78 A C -1.592 175.761 177.584 -0.384 0.000 1.044 78 A CA -0.648 51.001 52.037 -0.647 0.000 0.693 78 A CB 1.875 20.271 19.000 -1.007 0.000 1.272 78 A HN 0.611 nan 8.150 nan 0.000 0.402 79 R N 2.727 122.978 120.500 -0.416 0.000 2.393 79 R HA 0.757 5.097 4.340 -0.000 0.000 0.315 79 R C -1.932 174.296 176.300 -0.120 0.000 0.952 79 R CA -0.322 55.667 56.100 -0.186 0.000 0.842 79 R CB 0.448 30.690 30.300 -0.098 0.000 1.163 79 R HN 0.718 nan 8.270 nan 0.000 0.450 80 L N 3.138 124.377 121.223 0.027 0.000 2.322 80 L HA 0.572 4.912 4.340 -0.000 0.000 0.252 80 L C -0.129 176.852 176.870 0.185 0.000 1.055 80 L CA -1.100 53.818 54.840 0.131 0.000 0.849 80 L CB 1.970 44.163 42.059 0.224 0.000 1.446 80 L HN 0.669 nan 8.230 nan 0.000 0.416 81 N N -0.312 118.550 118.700 0.269 0.000 2.328 81 N HA 0.565 5.305 4.740 -0.000 0.000 0.299 81 N C -0.968 174.741 175.510 0.333 0.000 1.179 81 N CA -0.650 52.573 53.050 0.288 0.000 0.793 81 N CB 2.309 41.003 38.487 0.344 0.000 1.366 81 N HN 0.406 nan 8.380 nan 0.000 0.493 82 V N -1.568 118.485 119.914 0.231 0.000 2.607 82 V HA 0.405 4.525 4.120 -0.000 0.000 0.289 82 V C 0.269 176.625 176.094 0.436 0.000 1.053 82 V CA -0.635 61.692 62.300 0.046 0.000 0.996 82 V CB 0.880 32.638 31.823 -0.109 0.000 0.995 82 V HN 0.585 nan 8.190 nan 0.000 0.476 83 E N 3.672 124.207 120.200 0.558 0.000 2.089 83 E HA 0.057 4.407 4.350 -0.000 0.000 0.284 83 E C 0.278 177.234 176.600 0.594 0.000 1.023 83 E CA -0.355 56.386 56.400 0.569 0.000 0.819 83 E CB 1.000 31.002 29.700 0.504 0.000 1.076 83 E HN 1.000 nan 8.360 nan 0.000 0.396 84 W N 4.265 125.703 121.300 0.231 0.000 2.277 84 W HA -0.344 4.316 4.660 -0.000 0.000 0.327 84 W C 2.017 178.612 176.519 0.127 0.000 1.284 84 W CA 2.614 59.836 57.345 -0.206 0.000 1.277 84 W CB -0.851 28.309 29.460 -0.500 0.000 1.141 84 W HN 0.540 nan 8.180 nan 0.000 0.482 85 S N 0.151 116.052 115.700 0.335 0.000 2.402 85 S HA -0.252 4.218 4.470 -0.000 0.000 0.233 85 S C 1.963 176.725 174.600 0.269 0.000 1.030 85 S CA 1.625 59.958 58.200 0.222 0.000 1.003 85 S CB -0.723 62.568 63.200 0.153 0.000 0.813 85 S HN 0.438 nan 8.310 nan 0.000 0.477 86 R N 0.195 120.888 120.500 0.322 0.000 2.090 86 R HA 0.170 4.510 4.340 -0.000 0.000 0.228 86 R C 2.104 178.582 176.300 0.297 0.000 1.110 86 R CA 1.294 57.553 56.100 0.265 0.000 0.973 86 R CB -0.252 30.241 30.300 0.323 0.000 0.869 86 R HN 0.435 nan 8.270 nan 0.000 0.440 87 I N -0.536 120.272 120.570 0.397 0.000 2.480 87 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 87 I C 0.403 176.410 176.117 -0.183 0.000 1.124 87 I CA 1.169 62.586 61.300 0.196 0.000 1.444 87 I CB -0.195 38.054 38.000 0.416 0.000 1.098 87 I HN -0.049 nan 8.210 nan 0.000 0.428 88 F N 2.539 122.754 119.950 0.441 0.000 2.550 88 F HA 0.356 4.883 4.527 -0.000 0.000 0.348 88 F C -1.637 174.390 175.800 0.378 0.000 1.219 88 F CA -1.820 56.408 58.000 0.380 0.000 1.203 88 F CB 0.469 39.768 39.000 0.499 0.000 1.436 88 F HN -0.120 nan 8.300 nan 0.000 0.541 89 P HA -0.047 nan 4.420 nan 0.000 0.225 89 P C -0.467 176.972 177.300 0.232 0.000 1.156 89 P CA 0.856 64.121 63.100 0.275 0.000 0.787 89 P CB 0.323 32.109 31.700 0.144 0.000 0.802 90 N N 1.010 119.739 118.700 0.048 0.000 2.456 90 N HA 0.316 5.056 4.740 -0.000 0.000 0.296 90 N C -2.651 172.331 175.510 -0.879 0.000 1.102 90 N CA -2.111 50.813 53.050 -0.210 0.000 0.924 90 N CB 0.507 38.953 38.487 -0.068 0.000 1.186 90 N HN 0.002 nan 8.380 nan 0.000 0.492 91 P HA -0.005 nan 4.420 nan 0.000 0.266 91 P C -0.738 175.854 177.300 -1.180 0.000 1.195 91 P CA 0.322 62.497 63.100 -1.542 0.000 0.768 91 P CB 0.744 32.113 31.700 -0.550 0.000 0.838 92 L N 4.615 125.000 121.223 -1.397 0.000 2.343 92 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 92 L C -1.600 174.947 176.870 -0.539 0.000 1.056 92 L CA -2.273 51.994 54.840 -0.955 0.000 0.804 92 L CB 0.797 42.414 42.059 -0.736 0.000 1.203 92 L HN 0.252 nan 8.230 nan 0.000 0.440 93 P HA -0.018 nan 4.420 nan 0.000 0.265 93 P C -0.149 177.082 177.300 -0.115 0.000 1.193 93 P CA -0.301 62.692 63.100 -0.178 0.000 0.765 93 P CB 0.499 32.152 31.700 -0.078 0.000 0.823 94 R N 3.612 124.075 120.500 -0.062 0.000 2.538 94 R HA 0.156 4.495 4.340 -0.000 0.000 0.282 94 R C -1.203 175.071 176.300 -0.044 0.000 1.009 94 R CA -0.626 55.452 56.100 -0.037 0.000 1.063 94 R CB -1.352 28.945 30.300 -0.006 0.000 0.945 94 R HN 0.601 nan 8.270 nan 0.000 0.414 99 D N 4.920 124.893 120.400 -0.713 0.000 2.427 99 D HA 0.263 4.903 4.640 -0.000 0.000 0.226 99 D C 0.628 176.518 176.300 -0.683 0.000 1.076 99 D CA -0.059 53.636 54.000 -0.509 0.000 0.849 99 D CB 1.180 41.806 40.800 -0.290 0.000 1.052 99 D HN 0.678 nan 8.370 nan 0.000 0.515 100 E N 1.430 121.382 120.200 -0.414 0.000 2.409 100 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 100 E C 1.227 177.740 176.600 -0.146 0.000 1.024 100 E CA 0.687 56.952 56.400 -0.225 0.000 0.861 100 E CB 0.215 29.928 29.700 0.022 0.000 0.788 100 E HN 0.546 nan 8.360 nan 0.000 0.521 101 S N -0.196 115.413 115.700 -0.153 0.000 2.548 101 S HA 0.072 4.542 4.470 -0.000 0.000 0.215 101 S C 1.011 175.553 174.600 -0.097 0.000 0.976 101 S CA -0.078 58.065 58.200 -0.096 0.000 0.908 101 S CB -0.105 63.050 63.200 -0.076 0.000 0.781 101 S HN 0.113 nan 8.310 nan 0.000 0.519 102 K N 1.547 121.861 120.400 -0.145 0.000 2.368 102 K HA 0.326 4.646 4.320 -0.000 0.000 0.282 102 K C 0.830 177.406 176.600 -0.040 0.000 1.035 102 K CA -0.091 56.134 56.287 -0.103 0.000 0.973 102 K CB -0.130 32.285 32.500 -0.142 0.000 0.957 102 K HN 0.515 nan 8.250 nan 0.000 0.474 103 Q N 0.347 120.152 119.800 0.007 0.000 2.083 103 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 103 Q C -0.423 175.697 176.000 0.199 0.000 0.969 103 Q CA 1.347 57.200 55.803 0.083 0.000 0.838 103 Q CB 0.338 29.097 28.738 0.035 0.000 0.900 103 Q HN 0.857 nan 8.270 nan 0.000 0.436 104 D N -0.248 120.239 120.400 0.145 0.000 2.210 104 D HA 0.260 4.900 4.640 -0.000 0.000 0.249 104 D C -1.233 175.124 176.300 0.095 0.000 1.062 104 D CA -0.235 53.853 54.000 0.146 0.000 0.891 104 D CB 2.023 42.892 40.800 0.115 0.000 1.186 104 D HN -0.127 nan 8.370 nan 0.000 0.432 105 V N 2.081 122.052 119.914 0.094 0.000 2.289 105 V HA 0.163 4.283 4.120 -0.000 0.000 0.272 105 V C 1.162 177.304 176.094 0.081 0.000 1.026 105 V CA -0.474 61.906 62.300 0.132 0.000 0.807 105 V CB 0.901 32.854 31.823 0.216 0.000 1.044 105 V HN 0.775 nan 8.190 nan 0.000 0.443 106 T N -0.069 114.526 114.554 0.068 0.000 3.057 106 T HA 0.214 4.564 4.350 -0.000 0.000 0.254 106 T C 0.423 175.147 174.700 0.040 0.000 1.094 106 T CA 0.315 62.437 62.100 0.036 0.000 1.088 106 T CB 0.665 69.550 68.868 0.028 0.000 0.934 106 T HN 0.584 nan 8.240 nan 0.000 0.497 107 E N -0.020 120.224 120.200 0.073 0.000 2.352 107 E HA 0.539 4.889 4.350 -0.000 0.000 0.280 107 E C -2.198 174.470 176.600 0.114 0.000 0.930 107 E CA -0.787 55.653 56.400 0.067 0.000 0.765 107 E CB 2.642 32.376 29.700 0.055 0.000 1.219 107 E HN 0.019 nan 8.360 nan 0.000 0.434 108 V N 2.122 122.080 119.914 0.073 0.000 2.482 108 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 108 V C -0.143 175.958 176.094 0.012 0.000 1.026 108 V CA -0.423 61.925 62.300 0.080 0.000 0.856 108 V CB 1.126 32.943 31.823 -0.010 0.000 1.001 108 V HN 0.811 nan 8.190 nan 0.000 0.424 109 E N 5.519 125.747 120.200 0.047 0.000 2.223 109 E HA 0.663 5.013 4.350 -0.000 0.000 0.282 109 E C -0.699 175.875 176.600 -0.044 0.000 1.046 109 E CA -0.053 56.351 56.400 0.007 0.000 0.857 109 E CB 1.026 nan 29.700 nan 0.000 1.055 109 E HN 0.687 nan 8.360 nan 0.000 0.409 110 I N 2.743 123.263 120.570 -0.083 0.000 2.533 110 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 110 I C -0.425 175.613 176.117 -0.131 0.000 1.056 110 I CA -0.949 60.272 61.300 -0.132 0.000 1.057 110 I CB 2.206 40.099 38.000 -0.179 0.000 1.240 110 I HN 0.786 nan 8.210 nan 0.000 0.423 111 N N 2.556 121.168 118.700 -0.146 0.000 2.902 111 N HA 0.282 5.022 4.740 -0.000 0.000 0.268 111 N C 0.357 175.737 175.510 -0.217 0.000 1.450 111 N CA -0.954 52.007 53.050 -0.148 0.000 0.819 111 N CB 0.673 39.108 38.487 -0.087 0.000 1.540 111 N HN 0.507 nan 8.380 nan 0.000 0.545 112 E N 0.121 120.208 120.200 -0.189 0.000 2.136 112 E HA -0.338 4.012 4.350 -0.000 0.000 0.208 112 E C 0.700 177.190 176.600 -0.183 0.000 1.035 112 E CA 2.409 58.689 56.400 -0.200 0.000 0.838 112 E CB -0.253 29.414 29.700 -0.055 0.000 0.748 112 E HN 0.580 nan 8.360 nan 0.000 0.459 113 N N -0.003 118.636 118.700 -0.100 0.000 2.142 113 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 113 N C 1.871 177.340 175.510 -0.068 0.000 1.023 113 N CA 1.221 54.239 53.050 -0.054 0.000 0.852 113 N CB -0.317 38.157 38.487 -0.022 0.000 0.998 113 N HN 0.338 nan 8.380 nan 0.000 0.424 114 E N 1.334 121.476 120.200 -0.096 0.000 2.110 114 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 114 E C 2.137 178.663 176.600 -0.125 0.000 0.988 114 E CA 0.560 56.909 56.400 -0.085 0.000 0.804 114 E CB 0.058 29.704 29.700 -0.091 0.000 0.745 114 E HN 0.291 nan 8.360 nan 0.000 0.458 115 L N 0.287 121.335 121.223 -0.291 0.000 2.083 115 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 115 L C 2.745 179.466 176.870 -0.248 0.000 1.083 115 L CA 1.127 55.686 54.840 -0.469 0.000 0.752 115 L CB -0.281 40.974 42.059 -1.340 0.000 0.899 115 L HN -0.086 nan 8.230 nan 0.000 0.433 116 K N -0.464 119.841 120.400 -0.159 0.000 2.148 116 K HA -0.073 4.246 4.320 -0.000 0.000 0.204 116 K C 2.158 178.854 176.600 0.160 0.000 1.050 116 K CA 0.986 57.350 56.287 0.129 0.000 0.942 116 K CB -0.338 32.236 32.500 0.124 0.000 0.724 116 K HN 0.376 nan 8.250 nan 0.000 0.446 117 R N -0.136 120.426 120.500 0.103 0.000 2.066 117 R HA 0.105 4.445 4.340 -0.000 0.000 0.232 117 R C 2.477 178.920 176.300 0.239 0.000 1.131 117 R CA 1.364 57.548 56.100 0.139 0.000 0.955 117 R CB -0.465 29.899 30.300 0.107 0.000 0.851 117 R HN 0.230 nan 8.270 nan 0.000 0.432 118 L N 0.869 122.223 121.223 0.219 0.000 2.042 118 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 118 L C 1.993 179.105 176.870 0.403 0.000 1.076 118 L CA 1.491 56.489 54.840 0.264 0.000 0.749 118 L CB -0.476 41.638 42.059 0.091 0.000 0.893 118 L HN 0.204 nan 8.230 nan 0.000 0.432 119 D N 0.220 120.911 120.400 0.485 0.000 2.239 119 D HA -0.237 4.403 4.640 -0.000 0.000 0.202 119 D C 2.053 178.547 176.300 0.324 0.000 0.993 119 D CA 1.590 55.933 54.000 0.571 0.000 0.874 119 D CB 0.283 41.448 40.800 0.609 0.000 0.922 119 D HN 0.452 nan 8.370 nan 0.000 0.464 120 E N -1.277 119.059 120.200 0.225 0.000 2.435 120 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 120 E C 1.438 178.007 176.600 -0.052 0.000 1.029 120 E CA 0.437 56.864 56.400 0.045 0.000 0.865 120 E CB -0.846 nan 29.700 nan 0.000 0.833 120 E HN 0.530 nan 8.360 nan 0.000 0.510 121 Y N -0.139 120.261 120.300 0.165 0.000 2.497 121 Y HA 0.516 5.066 4.550 -0.000 0.000 0.265 121 Y C 1.726 177.691 175.900 0.107 0.000 1.111 121 Y CA -0.023 58.179 58.100 0.170 0.000 1.288 121 Y CB 0.486 39.094 38.460 0.246 0.000 1.082 121 Y HN 0.332 nan 8.280 nan 0.000 0.536 122 A N 1.146 124.039 122.820 0.121 0.000 2.462 122 A HA 0.055 4.375 4.320 -0.000 0.000 0.243 122 A C 0.297 177.832 177.584 -0.080 0.000 1.076 122 A CA -0.389 51.461 52.037 -0.312 0.000 0.773 122 A CB -0.047 18.815 19.000 -0.231 0.000 1.010 122 A HN 0.336 nan 8.150 nan 0.000 0.493 123 N N 1.667 120.315 118.700 -0.086 0.000 2.420 123 N HA 0.039 4.779 4.740 -0.000 0.000 0.262 123 N C 0.620 176.183 175.510 0.088 0.000 1.144 123 N CA -0.145 52.928 53.050 0.038 0.000 0.952 123 N CB 0.734 39.264 38.487 0.072 0.000 1.081 123 N HN 0.573 nan 8.380 nan 0.000 0.480 124 K N 2.590 123.041 120.400 0.085 0.000 2.167 124 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 124 K C 0.534 177.202 176.600 0.113 0.000 1.052 124 K CA 0.732 57.077 56.287 0.097 0.000 0.956 124 K CB 0.240 32.781 32.500 0.068 0.000 0.735 124 K HN 0.569 nan 8.250 nan 0.000 0.451 125 D N 1.081 121.548 120.400 0.111 0.000 2.117 125 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 125 D C 1.790 178.209 176.300 0.199 0.000 0.987 125 D CA 1.286 55.363 54.000 0.129 0.000 0.829 125 D CB -0.038 40.829 40.800 0.112 0.000 0.961 125 D HN 0.140 nan 8.370 nan 0.000 0.460 126 A N 0.578 123.545 122.820 0.244 0.000 1.873 126 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 126 A C 2.126 179.972 177.584 0.436 0.000 1.186 126 A CA 0.821 53.083 52.037 0.374 0.000 0.616 126 A CB -0.680 18.532 19.000 0.354 0.000 0.823 126 A HN 0.152 nan 8.150 nan 0.000 0.442 127 L N 0.626 122.078 121.223 0.383 0.000 2.012 127 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 127 L C 2.179 179.233 176.870 0.307 0.000 1.073 127 L CA 2.387 57.478 54.840 0.419 0.000 0.748 127 L CB -1.215 40.996 42.059 0.253 0.000 0.891 127 L HN 0.595 nan 8.230 nan 0.000 0.431 128 N N -1.602 117.197 118.700 0.164 0.000 2.188 128 N HA -0.234 4.506 4.740 -0.000 0.000 0.184 128 N C 2.038 177.535 175.510 -0.022 0.000 1.018 128 N CA 1.506 54.596 53.050 0.066 0.000 0.858 128 N CB -0.098 38.410 38.487 0.035 0.000 0.989 128 N HN 0.499 nan 8.380 nan 0.000 0.426 129 H N -1.207 117.776 119.070 -0.145 0.000 2.293 129 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 129 H C 1.321 176.261 175.328 -0.648 0.000 1.082 129 H CA 2.115 57.879 56.048 -0.474 0.000 1.308 129 H CB -0.313 29.016 29.762 -0.721 0.000 1.375 129 H HN 0.244 nan 8.280 nan 0.000 0.495 130 Y N 0.537 120.636 120.300 -0.335 0.000 2.151 130 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 130 Y C 2.920 178.300 175.900 -0.866 0.000 1.166 130 Y CA 1.847 59.504 58.100 -0.739 0.000 1.163 130 Y CB -0.528 37.647 38.460 -0.476 0.000 0.974 130 Y HN 0.194 nan 8.280 nan 0.000 0.511 131 R N 0.587 121.081 120.500 -0.010 0.000 2.091 131 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 131 R C 1.980 178.194 176.300 -0.144 0.000 1.136 131 R CA 2.078 58.245 56.100 0.112 0.000 0.959 131 R CB -0.242 30.163 30.300 0.176 0.000 0.856 131 R HN 0.412 nan 8.270 nan 0.000 0.437 132 E N 0.080 120.090 120.200 -0.316 0.000 2.110 132 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 132 E C 2.010 178.308 176.600 -0.503 0.000 0.988 132 E CA 1.588 57.768 56.400 -0.366 0.000 0.804 132 E CB -0.083 29.346 29.700 -0.451 0.000 0.745 132 E HN 0.431 nan 8.360 nan 0.000 0.458 133 I N 0.319 120.347 120.570 -0.904 0.000 2.202 133 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 133 I C 1.856 177.855 176.117 -0.198 0.000 1.091 133 I CA 0.887 61.618 61.300 -0.947 0.000 1.368 133 I CB -0.216 37.127 38.000 -1.094 0.000 1.058 133 I HN 0.068 nan 8.210 nan 0.000 0.410 134 F N 1.288 121.087 119.950 -0.253 0.000 2.234 134 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 134 F C 2.415 178.076 175.800 -0.232 0.000 1.087 134 F CA 0.883 58.679 58.000 -0.339 0.000 1.340 134 F CB -1.107 37.720 39.000 -0.288 0.000 1.031 134 F HN -0.014 nan 8.300 nan 0.000 0.500 135 K N 0.124 120.553 120.400 0.050 0.000 2.057 135 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 135 K C 1.725 178.342 176.600 0.028 0.000 1.050 135 K CA 1.677 57.983 56.287 0.032 0.000 0.935 135 K CB -0.457 32.057 32.500 0.023 0.000 0.715 135 K HN 0.214 nan 8.250 nan 0.000 0.439 136 D N 0.916 121.359 120.400 0.071 0.000 2.144 136 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 136 D C 1.928 178.282 176.300 0.090 0.000 0.978 136 D CA 0.508 54.608 54.000 0.166 0.000 0.833 136 D CB 0.109 41.132 40.800 0.373 0.000 0.961 136 D HN -0.016 nan 8.370 nan 0.000 0.470 137 L N 0.578 121.748 121.223 -0.089 0.000 1.970 137 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 137 L C 1.946 178.695 176.870 -0.202 0.000 1.071 137 L CA 1.690 56.283 54.840 -0.413 0.000 0.751 137 L CB -0.396 41.350 42.059 -0.522 0.000 0.889 137 L HN -0.122 nan 8.230 nan 0.000 0.432 138 K N -0.088 120.223 120.400 -0.147 0.000 2.152 138 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 138 K C 2.356 178.946 176.600 -0.018 0.000 1.048 138 K CA 1.445 57.688 56.287 -0.073 0.000 0.933 138 K CB -0.989 31.486 32.500 -0.042 0.000 0.721 138 K HN 0.646 nan 8.250 nan 0.000 0.447 139 S N 0.635 116.335 115.700 -0.000 0.000 2.481 139 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 139 S C 1.402 176.024 174.600 0.037 0.000 0.996 139 S CA 0.343 58.558 58.200 0.025 0.000 0.942 139 S CB -0.053 63.170 63.200 0.038 0.000 0.768 139 S HN 0.233 nan 8.310 nan 0.000 0.520 140 R N 0.831 121.353 120.500 0.036 0.000 2.391 140 R HA 0.287 4.627 4.340 -0.000 0.000 0.249 140 R C 1.299 177.636 176.300 0.062 0.000 0.957 140 R CA 0.363 56.500 56.100 0.062 0.000 1.093 140 R CB -0.363 29.997 30.300 0.099 0.000 1.156 140 R HN 0.566 nan 8.270 nan 0.000 0.526 141 G N 1.512 110.340 108.800 0.047 0.000 2.143 141 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 141 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 141 G C 0.060 175.003 174.900 0.072 0.000 0.991 141 G CA -0.136 44.999 45.100 0.058 0.000 0.689 141 G HN 0.254 nan 8.290 nan 0.000 0.522 142 L N 0.328 121.581 121.223 0.049 0.000 2.281 142 L HA 0.445 4.785 4.340 -0.000 0.000 0.285 142 L C 0.881 177.788 176.870 0.061 0.000 1.074 142 L CA -1.270 53.604 54.840 0.056 0.000 0.817 142 L CB 0.579 42.643 42.059 0.008 0.000 1.168 142 L HN 0.210 nan 8.230 nan 0.000 0.434 143 Y N 4.058 124.332 120.300 -0.043 0.000 2.610 143 Y HA 0.058 4.607 4.550 -0.000 0.000 0.332 143 Y C -0.449 175.422 175.900 -0.049 0.000 1.201 143 Y CA 0.264 58.331 58.100 -0.056 0.000 1.465 143 Y CB 0.435 38.842 38.460 -0.088 0.000 1.283 143 Y HN 0.370 nan 8.280 nan 0.000 0.563 144 F N 7.831 127.467 119.950 -0.523 0.000 2.445 144 F HA 0.469 4.996 4.527 -0.000 0.000 0.348 144 F C -1.267 174.204 175.800 -0.548 0.000 1.125 144 F CA -2.096 55.616 58.000 -0.480 0.000 0.983 144 F CB 0.289 39.016 39.000 -0.456 0.000 1.198 144 F HN 0.319 nan 8.300 nan 0.000 0.436 145 I N 7.367 127.674 120.570 -0.438 0.000 2.304 145 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 145 I C -0.883 174.794 176.117 -0.733 0.000 1.018 145 I CA -0.886 60.076 61.300 -0.564 0.000 1.260 145 I CB 1.338 39.132 38.000 -0.345 0.000 1.390 145 I HN 0.389 nan 8.210 nan 0.000 0.475 146 L N 7.696 128.338 121.223 -0.968 0.000 2.272 146 L HA 0.431 4.771 4.340 -0.000 0.000 0.289 146 L C -0.324 176.431 176.870 -0.192 0.000 1.032 146 L CA -0.003 54.356 54.840 -0.801 0.000 0.810 146 L CB 0.990 42.400 42.059 -1.082 0.000 1.205 146 L HN 0.494 nan 8.230 nan 0.000 0.422 147 N N 4.403 123.091 118.700 -0.020 0.000 2.456 147 N HA 0.280 5.020 4.740 -0.000 0.000 0.288 147 N C 0.589 176.247 175.510 0.247 0.000 1.059 147 N CA -0.439 52.708 53.050 0.161 0.000 0.946 147 N CB 1.028 39.637 38.487 0.203 0.000 1.150 147 N HN 0.584 nan 8.380 nan 0.000 0.479 148 M N 1.616 121.421 119.600 0.343 0.000 2.388 148 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 148 M C -0.473 176.288 176.300 0.767 0.000 1.088 148 M CA 0.782 56.372 55.300 0.483 0.000 1.134 148 M CB -0.825 32.020 32.600 0.410 0.000 1.384 148 M HN 0.600 nan 8.290 nan 0.000 0.447 149 Y N -0.421 120.186 120.300 0.512 0.000 2.358 149 Y HA 0.320 4.870 4.550 -0.000 0.000 0.324 149 Y C -0.909 175.238 175.900 0.411 0.000 1.123 149 Y CA -1.316 57.087 58.100 0.506 0.000 1.067 149 Y CB 0.747 39.463 38.460 0.427 0.000 1.230 149 Y HN 0.235 nan 8.280 nan 0.000 0.429 150 H N 6.620 125.553 119.070 -0.228 0.000 2.779 150 H HA 0.257 4.813 4.556 -0.000 0.000 0.230 150 H C -0.727 174.334 175.328 -0.445 0.000 1.365 150 H CA -0.142 55.667 56.048 -0.397 0.000 1.086 150 H CB 0.124 29.793 29.762 -0.155 0.000 2.038 150 H HN 0.781 nan 8.280 nan 0.000 0.558 151 W N -3.120 117.653 121.300 -0.879 0.000 0.300 151 W HA -0.191 4.469 4.660 -0.000 0.000 0.214 151 W C -2.343 174.246 176.519 0.116 0.000 0.914 151 W CA 0.281 57.347 57.345 -0.466 0.000 0.325 151 W CB -2.632 26.561 29.460 -0.445 0.000 1.907 151 W HN 0.337 nan 8.180 nan 0.000 1.063 152 P HA 0.279 nan 4.420 nan 0.000 0.268 152 P C 0.162 177.740 177.300 0.464 0.000 1.204 152 P CA 0.673 64.034 63.100 0.435 0.000 0.768 152 P CB 0.331 32.166 31.700 0.226 0.000 0.842 153 L N 5.880 127.267 121.223 0.275 0.000 2.331 153 L HA 0.492 4.832 4.340 -0.000 0.000 0.275 153 L C -2.186 174.537 176.870 -0.246 0.000 1.022 153 L CA -2.812 51.999 54.840 -0.049 0.000 0.812 153 L CB 1.629 43.548 42.059 -0.232 0.000 1.257 153 L HN 0.148 nan 8.230 nan 0.000 0.435 154 P HA -0.011 nan 4.420 nan 0.000 0.264 154 P C 0.782 177.787 177.300 -0.493 0.000 1.183 154 P CA 0.162 62.923 63.100 -0.565 0.000 0.763 154 P CB 0.579 31.600 31.700 -1.132 0.000 0.807 155 L N 2.856 123.955 121.223 -0.207 0.000 2.187 155 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 155 L C 2.060 178.867 176.870 -0.106 0.000 1.100 155 L CA 1.213 55.982 54.840 -0.118 0.000 0.765 155 L CB -0.601 41.452 42.059 -0.011 0.000 0.904 155 L HN 0.649 nan 8.230 nan 0.000 0.437 156 W N -0.831 120.391 121.300 -0.131 0.000 2.611 156 W HA -0.074 4.586 4.660 -0.000 0.000 0.251 156 W C 1.220 177.645 176.519 -0.157 0.000 1.265 156 W CA 0.275 57.545 57.345 -0.124 0.000 1.295 156 W CB -0.555 28.838 29.460 -0.112 0.000 1.129 156 W HN 0.186 nan 8.180 nan 0.000 0.630 157 L N -0.483 120.325 121.223 -0.692 0.000 2.609 157 L HA 0.257 4.597 4.340 -0.000 0.000 0.230 157 L C 0.371 177.051 176.870 -0.317 0.000 1.087 157 L CA 0.511 54.958 54.840 -0.655 0.000 0.874 157 L CB -0.126 41.249 42.059 -1.140 0.000 1.114 157 L HN -0.009 nan 8.230 nan 0.000 0.488 158 H N -0.192 118.663 119.070 -0.357 0.000 3.179 158 H HA 0.110 4.666 4.556 -0.000 0.000 0.331 158 H C -1.638 173.600 175.328 -0.149 0.000 1.013 158 H CA -0.660 55.246 56.048 -0.237 0.000 1.430 158 H CB 1.726 31.324 29.762 -0.273 0.000 1.895 158 H HN -0.144 nan 8.280 nan 0.000 0.468 159 D N 7.568 127.869 120.400 -0.165 0.000 2.443 159 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 159 D C -1.743 174.344 176.300 -0.356 0.000 1.097 159 D CA -2.516 51.352 54.000 -0.220 0.000 0.865 159 D CB 1.875 42.622 40.800 -0.088 0.000 1.034 159 D HN 0.343 nan 8.370 nan 0.000 0.511 160 P HA -0.071 nan 4.420 nan 0.000 0.222 160 P C 1.540 178.825 177.300 -0.025 0.000 1.153 160 P CA 0.239 63.056 63.100 -0.472 0.000 0.798 160 P CB 0.648 32.061 31.700 -0.478 0.000 0.796 161 I N 0.206 120.786 120.570 0.016 0.000 2.286 161 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 161 I C 2.771 178.877 176.117 -0.018 0.000 1.104 161 I CA 0.898 62.225 61.300 0.045 0.000 1.397 161 I CB -1.541 36.456 38.000 -0.005 0.000 1.072 161 I HN -0.048 nan 8.210 nan 0.000 0.417 162 R N 0.789 121.250 120.500 -0.064 0.000 2.094 162 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 162 R C 2.387 178.569 176.300 -0.197 0.000 1.137 162 R CA 1.790 57.825 56.100 -0.108 0.000 0.943 162 R CB -0.220 30.018 30.300 -0.103 0.000 0.850 162 R HN 0.162 nan 8.270 nan 0.000 0.433 163 V N 0.626 120.419 119.914 -0.203 0.000 2.343 163 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 163 V C 2.477 178.445 176.094 -0.210 0.000 1.051 163 V CA 1.998 64.079 62.300 -0.364 0.000 1.036 163 V CB -0.648 31.119 31.823 -0.093 0.000 0.654 163 V HN 0.396 nan 8.190 nan 0.000 0.451 164 R N 0.330 120.856 120.500 0.044 0.000 2.103 164 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 164 R C 2.373 178.769 176.300 0.161 0.000 1.142 164 R CA 1.796 58.020 56.100 0.206 0.000 0.960 164 R CB -0.190 30.270 30.300 0.268 0.000 0.858 164 R HN 0.423 nan 8.270 nan 0.000 0.439 165 R N -1.091 119.425 120.500 0.027 0.000 2.339 165 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 165 R C 1.007 177.303 176.300 -0.007 0.000 1.018 165 R CA 0.626 56.732 56.100 0.009 0.000 1.036 165 R CB 0.202 30.482 30.300 -0.034 0.000 0.899 165 R HN 0.583 nan 8.270 nan 0.000 0.473 166 G N 1.361 110.088 108.800 -0.121 0.000 2.141 166 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 166 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 166 G C -0.598 174.047 174.900 -0.424 0.000 0.982 166 G CA 0.097 45.091 45.100 -0.177 0.000 0.662 166 G HN 0.387 nan 8.290 nan 0.000 0.527 167 D N -0.343 119.730 120.400 -0.545 0.000 2.373 167 D HA 0.582 5.222 4.640 -0.000 0.000 0.227 167 D C 0.566 176.524 176.300 -0.570 0.000 1.091 167 D CA -0.952 52.823 54.000 -0.375 0.000 0.840 167 D CB 0.110 40.796 40.800 -0.190 0.000 1.060 167 D HN 0.014 nan 8.370 nan 0.000 0.502 168 F N 1.351 121.262 119.950 -0.066 0.000 2.641 168 F HA 0.092 4.619 4.527 -0.000 0.000 0.302 168 F C 2.258 178.038 175.800 -0.032 0.000 1.098 168 F CA -0.058 57.903 58.000 -0.065 0.000 1.318 168 F CB 0.272 39.215 39.000 -0.095 0.000 1.035 168 F HN 0.368 nan 8.300 nan 0.000 0.551 169 T N -3.027 111.564 114.554 0.062 0.000 3.113 169 T HA 0.291 4.641 4.350 -0.000 0.000 0.256 169 T C 1.207 175.927 174.700 0.033 0.000 1.131 169 T CA 0.446 62.575 62.100 0.048 0.000 1.074 169 T CB -0.193 68.692 68.868 0.028 0.000 0.944 169 T HN 0.167 nan 8.240 nan 0.000 0.516 170 G N 1.585 110.396 108.800 0.018 0.000 2.671 170 G HA2 0.608 4.568 3.960 -0.000 0.000 0.275 170 G HA3 0.608 4.568 3.960 -0.000 0.000 0.275 170 G C -2.870 172.051 174.900 0.034 0.000 1.368 170 G CA -1.965 43.145 45.100 0.017 0.000 1.044 170 G HN 0.118 nan 8.290 nan 0.000 0.543 171 P HA 0.166 nan 4.420 nan 0.000 0.271 171 P C 0.285 177.627 177.300 0.069 0.000 1.233 171 P CA 0.072 63.185 63.100 0.022 0.000 0.764 171 P CB 1.229 32.928 31.700 -0.002 0.000 0.825 172 S N 2.058 117.779 115.700 0.036 0.000 2.602 172 S HA 0.426 4.896 4.470 -0.000 0.000 0.240 172 S C 1.164 175.657 174.600 -0.178 0.000 0.992 172 S CA 0.112 58.351 58.200 0.066 0.000 0.971 172 S CB -0.806 62.460 63.200 0.111 0.000 0.855 172 S HN 0.651 nan 8.310 nan 0.000 0.481 173 G N 1.912 110.496 108.800 -0.360 0.000 2.611 173 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.301 173 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.301 173 G C 0.335 174.925 174.900 -0.516 0.000 1.233 173 G CA 0.395 45.075 45.100 -0.701 0.000 0.993 173 G HN 0.600 nan 8.290 nan 0.000 0.553 174 W N 1.067 122.240 121.300 -0.213 0.000 2.848 174 W HA 0.348 5.008 4.660 -0.000 0.000 0.241 174 W C 2.375 178.849 176.519 -0.075 0.000 1.289 174 W CA 0.279 57.564 57.345 -0.099 0.000 1.396 174 W CB -0.218 29.211 29.460 -0.051 0.000 1.138 174 W HN 0.289 nan 8.180 nan 0.000 0.677 175 L N -0.109 121.150 121.223 0.059 0.000 2.552 175 L HA 0.039 4.379 4.340 -0.000 0.000 0.227 175 L C 1.297 178.192 176.870 0.041 0.000 1.146 175 L CA 0.401 55.253 54.840 0.020 0.000 0.858 175 L CB -0.458 41.598 42.059 -0.004 0.000 0.969 175 L HN -0.220 nan 8.230 nan 0.000 0.451 176 S N -0.949 114.775 115.700 0.040 0.000 2.473 176 S HA 0.210 4.680 4.470 -0.000 0.000 0.307 176 S C 1.190 175.865 174.600 0.124 0.000 1.094 176 S CA -0.350 57.887 58.200 0.062 0.000 1.070 176 S CB 1.453 64.668 63.200 0.026 0.000 1.019 176 S HN 0.297 nan 8.310 nan 0.000 0.480 177 T N 2.755 117.423 114.554 0.190 0.000 2.977 177 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 177 T C 1.710 176.632 174.700 0.370 0.000 1.105 177 T CA 1.114 63.398 62.100 0.307 0.000 1.116 177 T CB -0.361 68.710 68.868 0.337 0.000 0.878 177 T HN 0.642 nan 8.240 nan 0.000 0.509 178 R N 1.558 122.221 120.500 0.272 0.000 2.105 178 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 178 R C 2.285 178.631 176.300 0.077 0.000 1.135 178 R CA 1.991 58.170 56.100 0.131 0.000 0.967 178 R CB -1.187 29.175 30.300 0.104 0.000 0.861 178 R HN 0.433 nan 8.270 nan 0.000 0.442 179 T N -0.247 114.301 114.554 -0.011 0.000 2.821 179 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 179 T C 1.775 176.535 174.700 0.100 0.000 1.046 179 T CA 1.368 63.380 62.100 -0.146 0.000 1.139 179 T CB -0.194 68.355 68.868 -0.533 0.000 0.871 179 T HN 0.027 nan 8.240 nan 0.000 0.454 180 V N 0.696 120.748 119.914 0.231 0.000 2.287 180 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 180 V C 2.029 178.301 176.094 0.297 0.000 1.053 180 V CA 1.746 64.266 62.300 0.367 0.000 1.027 180 V CB -0.760 31.263 31.823 0.333 0.000 0.646 180 V HN 0.513 nan 8.190 nan 0.000 0.447 181 Y N 1.333 121.673 120.300 0.066 0.000 2.114 181 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 181 Y C 2.632 178.514 175.900 -0.030 0.000 1.143 181 Y CA 2.010 60.055 58.100 -0.092 0.000 1.135 181 Y CB -0.159 37.980 38.460 -0.535 0.000 0.980 181 Y HN 0.230 nan 8.280 nan 0.000 0.499 182 E N -0.345 119.904 120.200 0.081 0.000 2.150 182 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 182 E C 2.053 178.750 176.600 0.162 0.000 0.985 182 E CA 1.005 57.478 56.400 0.122 0.000 0.814 182 E CB -0.740 29.180 29.700 0.366 0.000 0.752 182 E HN 0.562 nan 8.360 nan 0.000 0.466 183 F N 1.851 121.845 119.950 0.073 0.000 2.113 183 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 183 F C 2.282 177.980 175.800 -0.171 0.000 1.103 183 F CA 1.253 59.120 58.000 -0.221 0.000 1.248 183 F CB -0.502 38.517 39.000 0.032 0.000 0.999 183 F HN -0.021 nan 8.300 nan 0.000 0.475 184 A N 0.612 123.296 122.820 -0.226 0.000 1.892 184 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 184 A C 2.345 179.696 177.584 -0.388 0.000 1.188 184 A CA 2.200 54.042 52.037 -0.324 0.000 0.631 184 A CB -0.802 18.086 19.000 -0.187 0.000 0.822 184 A HN 0.474 nan 8.150 nan 0.000 0.447 185 R N -2.136 118.138 120.500 -0.377 0.000 2.066 185 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 185 R C 2.007 178.168 176.300 -0.232 0.000 1.131 185 R CA 1.407 57.309 56.100 -0.330 0.000 0.955 185 R CB -0.521 29.539 30.300 -0.401 0.000 0.851 185 R HN 0.589 nan 8.270 nan 0.000 0.432 186 F N 1.443 121.129 119.950 -0.439 0.000 2.091 186 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 186 F C 2.031 177.646 175.800 -0.307 0.000 1.103 186 F CA 1.786 59.541 58.000 -0.408 0.000 1.228 186 F CB -0.322 38.112 39.000 -0.943 0.000 0.984 186 F HN -0.122 nan 8.300 nan 0.000 0.477 187 S N 0.541 115.825 115.700 -0.693 0.000 2.368 187 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 187 S C 2.345 176.663 174.600 -0.469 0.000 1.029 187 S CA 0.911 58.687 58.200 -0.707 0.000 0.988 187 S CB -0.916 61.826 63.200 -0.765 0.000 0.838 187 S HN 0.552 nan 8.310 nan 0.000 0.462 188 A N 0.707 123.310 122.820 -0.362 0.000 1.902 188 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 188 A C 1.956 179.469 177.584 -0.118 0.000 1.181 188 A CA 1.628 53.514 52.037 -0.253 0.000 0.623 188 A CB -0.991 17.867 19.000 -0.236 0.000 0.818 188 A HN 0.591 nan 8.150 nan 0.000 0.443 189 Y N 0.328 120.522 120.300 -0.177 0.000 2.181 189 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 189 Y C 2.033 178.001 175.900 0.114 0.000 1.146 189 Y CA 1.690 59.816 58.100 0.044 0.000 1.164 189 Y CB -0.034 38.504 38.460 0.131 0.000 0.982 189 Y HN 0.237 nan 8.280 nan 0.000 0.515 190 I N 0.351 120.911 120.570 -0.018 0.000 2.252 190 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 190 I C 2.682 178.864 176.117 0.109 0.000 1.102 190 I CA 1.449 62.779 61.300 0.051 0.000 1.385 190 I CB -1.942 35.960 38.000 -0.163 0.000 1.064 190 I HN 0.358 nan 8.210 nan 0.000 0.414 191 A N -0.115 122.674 122.820 -0.051 0.000 1.940 191 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 191 A C 2.224 179.849 177.584 0.067 0.000 1.176 191 A CA 1.688 53.707 52.037 -0.030 0.000 0.631 191 A CB -1.258 17.495 19.000 -0.412 0.000 0.814 191 A HN 0.583 nan 8.150 nan 0.000 0.446 192 W N 0.889 122.068 121.300 -0.202 0.000 2.358 192 W HA -0.124 4.536 4.660 -0.000 0.000 0.303 192 W C 1.921 178.278 176.519 -0.271 0.000 1.208 192 W CA 1.966 59.177 57.345 -0.224 0.000 1.274 192 W CB 0.051 29.349 29.460 -0.270 0.000 1.138 192 W HN 0.120 nan 8.180 nan 0.000 0.515 193 K N -0.896 119.273 120.400 -0.385 0.000 2.167 193 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 193 K C 1.308 177.521 176.600 -0.646 0.000 1.052 193 K CA 1.097 56.955 56.287 -0.715 0.000 0.956 193 K CB -0.635 31.334 32.500 -0.886 0.000 0.735 193 K HN 0.215 nan 8.250 nan 0.000 0.451 194 F N -0.104 119.830 119.950 -0.026 0.000 2.706 194 F HA 0.112 4.639 4.527 -0.000 0.000 0.313 194 F C 1.443 177.280 175.800 0.061 0.000 1.096 194 F CA -0.597 57.447 58.000 0.073 0.000 1.219 194 F CB 0.200 39.315 39.000 0.192 0.000 1.051 194 F HN -0.067 nan 8.300 nan 0.000 0.568 195 D N 1.177 121.686 120.400 0.182 0.000 2.190 195 D HA -0.222 4.418 4.640 -0.000 0.000 0.200 195 D C 1.947 178.286 176.300 0.065 0.000 0.992 195 D CA 1.887 55.979 54.000 0.153 0.000 0.854 195 D CB 0.007 40.886 40.800 0.131 0.000 0.936 195 D HN 0.337 nan 8.370 nan 0.000 0.462 196 D N -0.155 120.273 120.400 0.046 0.000 2.263 196 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 196 D C 1.969 178.301 176.300 0.052 0.000 0.971 196 D CA 0.672 54.689 54.000 0.028 0.000 0.867 196 D CB -0.388 40.414 40.800 0.003 0.000 0.929 196 D HN 0.382 nan 8.370 nan 0.000 0.492 197 L N 0.170 121.464 121.223 0.118 0.000 2.515 197 L HA 0.166 4.506 4.340 -0.000 0.000 0.223 197 L C 0.683 177.626 176.870 0.121 0.000 1.079 197 L CA -0.091 54.844 54.840 0.158 0.000 0.857 197 L CB 0.625 42.871 42.059 0.313 0.000 1.050 197 L HN -0.174 nan 8.230 nan 0.000 0.476 198 V N 0.464 120.347 119.914 -0.050 0.000 2.567 198 V HA 0.092 4.212 4.120 -0.000 0.000 0.289 198 V C 0.478 176.295 176.094 -0.461 0.000 1.049 198 V CA -0.176 61.876 62.300 -0.412 0.000 0.969 198 V CB 1.837 33.198 31.823 -0.770 0.000 0.995 198 V HN 0.148 nan 8.190 nan 0.000 0.471 199 D N 1.635 121.655 120.400 -0.634 0.000 2.369 199 D HA 0.158 4.798 4.640 -0.000 0.000 0.231 199 D C 0.377 176.353 176.300 -0.541 0.000 0.967 199 D CA 0.672 54.274 54.000 -0.663 0.000 0.905 199 D CB 0.937 40.959 40.800 -1.296 0.000 1.044 199 D HN 0.691 nan 8.370 nan 0.000 0.487 200 E N -0.634 119.204 120.200 -0.603 0.000 2.408 200 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 200 E C -1.361 175.006 176.600 -0.388 0.000 0.935 200 E CA -0.701 55.511 56.400 -0.313 0.000 0.775 200 E CB 2.117 31.738 29.700 -0.131 0.000 1.277 200 E HN -0.078 nan 8.360 nan 0.000 0.455 201 Y N 0.187 120.579 120.300 0.154 0.000 2.468 201 Y HA 0.430 4.980 4.550 -0.000 0.000 0.342 201 Y C 0.179 176.247 175.900 0.279 0.000 1.021 201 Y CA -0.594 57.563 58.100 0.095 0.000 1.079 201 Y CB 2.367 40.828 38.460 0.002 0.000 1.226 201 Y HN 0.348 nan 8.280 nan 0.000 0.460 202 S N -0.030 115.872 115.700 0.336 0.000 2.513 202 S HA 0.319 4.789 4.470 -0.000 0.000 0.299 202 S C 0.766 175.497 174.600 0.217 0.000 1.087 202 S CA -0.101 58.215 58.200 0.193 0.000 1.012 202 S CB 0.960 64.264 63.200 0.173 0.000 1.044 202 S HN 0.832 nan 8.310 nan 0.000 0.485 203 T N 1.969 116.658 114.554 0.224 0.000 2.851 203 T HA 0.182 4.531 4.350 -0.000 0.000 0.262 203 T C 0.827 175.812 174.700 0.475 0.000 1.043 203 T CA 0.904 63.218 62.100 0.357 0.000 1.140 203 T CB -0.541 68.597 68.868 0.450 0.000 0.872 203 T HN 0.812 nan 8.240 nan 0.000 0.446 204 M N -0.299 119.500 119.600 0.331 0.000 2.603 204 M HA 0.581 5.061 4.480 -0.000 0.000 0.275 204 M C -1.986 174.401 176.300 0.145 0.000 1.226 204 M CA -1.035 54.463 55.300 0.330 0.000 0.870 204 M CB 1.908 34.717 32.600 0.348 0.000 1.716 204 M HN -0.085 nan 8.290 nan 0.000 0.482 205 N N 0.990 119.722 118.700 0.054 0.000 2.437 205 N HA 0.294 5.034 4.740 -0.000 0.000 0.259 205 N C -1.088 174.423 175.510 0.002 0.000 0.983 205 N CA 0.074 53.037 53.050 -0.145 0.000 0.937 205 N CB 0.827 38.883 38.487 -0.718 0.000 1.122 205 N HN 0.823 nan 8.380 nan 0.000 0.499 206 E N 1.860 122.037 120.200 -0.039 0.000 2.222 206 E HA -0.173 4.177 4.350 -0.000 0.000 0.189 206 E C -1.770 174.729 176.600 -0.168 0.000 1.415 206 E CA 0.059 56.384 56.400 -0.125 0.000 0.689 206 E CB -0.691 29.016 29.700 0.012 0.000 1.107 206 E HN 0.675 nan 8.360 nan 0.000 0.350 207 P HA -0.232 nan 4.420 nan 0.000 0.220 207 P C 1.134 178.244 177.300 -0.317 0.000 1.148 207 P CA 1.521 64.475 63.100 -0.243 0.000 0.803 207 P CB -0.016 31.562 31.700 -0.203 0.000 0.782 208 N N 0.442 118.848 118.700 -0.489 0.000 2.223 208 N HA -0.096 4.644 4.740 -0.000 0.000 0.185 208 N C 1.578 176.896 175.510 -0.321 0.000 1.016 208 N CA 1.162 53.984 53.050 -0.381 0.000 0.863 208 N CB -1.593 36.550 38.487 -0.573 0.000 0.983 208 N HN 0.080 nan 8.380 nan 0.000 0.429 209 V N 0.811 120.475 119.914 -0.416 0.000 2.488 209 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 209 V C 2.670 178.450 176.094 -0.523 0.000 1.046 209 V CA 0.737 62.747 62.300 -0.483 0.000 1.053 209 V CB -0.329 31.177 31.823 -0.529 0.000 0.679 209 V HN 0.091 nan 8.190 nan 0.000 0.458 210 V N 1.263 120.850 119.914 -0.545 0.000 2.252 210 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 210 V C 2.605 178.618 176.094 -0.136 0.000 1.056 210 V CA 2.521 64.587 62.300 -0.390 0.000 1.022 210 V CB -1.422 30.253 31.823 -0.247 0.000 0.641 210 V HN 0.607 nan 8.190 nan 0.000 0.445 211 G N -0.809 107.956 108.800 -0.059 0.000 2.430 211 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.216 211 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.216 211 G C 1.539 176.522 174.900 0.139 0.000 1.146 211 G CA 0.824 46.015 45.100 0.152 0.000 0.793 211 G HN 0.600 nan 8.290 nan 0.000 0.537 212 G N 0.785 109.565 108.800 -0.033 0.000 2.395 212 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.214 212 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.214 212 G C 1.727 176.557 174.900 -0.116 0.000 1.177 212 G CA 0.435 45.502 45.100 -0.055 0.000 0.794 212 G HN 0.371 nan 8.290 nan 0.000 0.532 213 L N 0.763 121.826 121.223 -0.268 0.000 2.179 213 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 213 L C 3.133 179.864 176.870 -0.231 0.000 1.096 213 L CA 0.721 55.352 54.840 -0.349 0.000 0.779 213 L CB -0.654 40.924 42.059 -0.802 0.000 0.922 213 L HN 0.319 nan 8.230 nan 0.000 0.443 214 G N -0.368 108.284 108.800 -0.247 0.000 2.442 214 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 214 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 214 G C 1.043 175.577 174.900 -0.611 0.000 1.141 214 G CA 0.972 45.778 45.100 -0.490 0.000 0.763 214 G HN 0.415 nan 8.290 nan 0.000 0.554 215 Y N -1.983 118.319 120.300 0.004 0.000 2.563 215 Y HA 0.382 4.932 4.550 -0.000 0.000 0.250 215 Y C 1.710 177.633 175.900 0.038 0.000 1.126 215 Y CA -0.282 57.855 58.100 0.061 0.000 1.231 215 Y CB 0.893 39.414 38.460 0.101 0.000 1.288 215 Y HN 0.042 nan 8.280 nan 0.000 0.537 216 V N -1.933 118.053 119.914 0.120 0.000 3.161 216 V HA 0.272 4.392 4.120 -0.000 0.000 0.221 216 V C 1.668 177.774 176.094 0.021 0.000 1.296 216 V CA 0.614 62.973 62.300 0.097 0.000 1.306 216 V CB -0.435 31.486 31.823 0.164 0.000 1.171 216 V HN 0.194 nan 8.190 nan 0.000 0.513 217 G N 1.702 110.483 108.800 -0.031 0.000 3.197 217 G HA2 0.263 4.222 3.960 -0.000 0.000 0.257 217 G HA3 0.263 4.222 3.960 -0.000 0.000 0.257 217 G C 1.090 175.953 174.900 -0.062 0.000 0.835 217 G CA 0.662 45.722 45.100 -0.067 0.000 2.001 217 G HN 0.501 nan 8.290 nan 0.000 0.625 218 V N -1.214 118.689 119.914 -0.020 0.000 2.970 218 V HA 0.024 4.144 4.120 -0.000 0.000 0.260 218 V C 2.206 178.336 176.094 0.061 0.000 1.100 218 V CA 1.226 63.534 62.300 0.015 0.000 1.122 218 V CB -0.314 31.515 31.823 0.011 0.000 0.721 218 V HN 0.421 nan 8.190 nan 0.000 0.483 219 K N 0.991 121.416 120.400 0.042 0.000 2.362 219 K HA 0.021 4.341 4.320 -0.000 0.000 0.200 219 K C 2.172 178.834 176.600 0.104 0.000 1.046 219 K CA 1.192 57.520 56.287 0.068 0.000 0.952 219 K CB -0.174 32.356 32.500 0.051 0.000 0.753 219 K HN 0.534 nan 8.250 nan 0.000 0.466 220 S N 0.132 115.877 115.700 0.074 0.000 2.515 220 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 220 S C 1.099 175.929 174.600 0.383 0.000 0.987 220 S CA 0.797 59.068 58.200 0.118 0.000 0.936 220 S CB 0.005 63.096 63.200 -0.182 0.000 0.766 220 S HN 0.596 nan 8.310 nan 0.000 0.528 221 G N 1.320 110.344 108.800 0.373 0.000 2.295 221 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 221 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 221 G C -0.252 175.037 174.900 0.648 0.000 1.055 221 G CA -0.223 45.206 45.100 0.548 0.000 0.922 221 G HN 0.345 nan 8.290 nan 0.000 0.503 222 F N 1.165 121.088 119.950 -0.045 0.000 2.399 222 F HA 0.526 5.053 4.527 -0.000 0.000 0.334 222 F C -1.222 173.882 175.800 -1.160 0.000 1.097 222 F CA -3.004 54.712 58.000 -0.474 0.000 1.076 222 F CB 1.693 40.508 39.000 -0.308 0.000 1.162 222 F HN -0.051 nan 8.300 nan 0.000 0.495 223 P HA 0.129 nan 4.420 nan 0.000 0.271 223 P C -2.408 174.309 177.300 -0.971 0.000 1.218 223 P CA -1.329 60.522 63.100 -2.081 0.000 0.780 223 P CB 0.849 31.459 31.700 -1.816 0.000 0.901 224 P HA 0.076 nan 4.420 nan 0.000 0.262 224 P C 0.762 177.841 177.300 -0.369 0.000 1.304 224 P CA 0.307 63.026 63.100 -0.636 0.000 0.859 224 P CB -0.283 31.365 31.700 -0.087 0.000 1.310 225 G N 0.376 108.942 108.800 -0.391 0.000 2.323 225 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.292 225 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.292 225 G C -0.620 174.352 174.900 0.120 0.000 1.040 225 G CA -0.069 45.023 45.100 -0.014 0.000 0.942 225 G HN 0.486 nan 8.290 nan 0.000 0.506 226 Y N -0.107 120.180 120.300 -0.021 0.000 2.369 226 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 226 Y C 0.217 176.217 175.900 0.167 0.000 0.961 226 Y CA -1.720 56.459 58.100 0.132 0.000 1.186 226 Y CB 1.057 39.682 38.460 0.275 0.000 1.139 226 Y HN 0.255 nan 8.280 nan 0.000 0.494 227 L N 6.330 127.374 121.223 -0.299 0.000 2.385 227 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 227 L C -0.580 176.156 176.870 -0.224 0.000 1.106 227 L CA 0.437 55.159 54.840 -0.197 0.000 0.856 227 L CB 0.055 41.972 42.059 -0.237 0.000 1.186 227 L HN 0.594 nan 8.230 nan 0.000 0.453 228 S N 4.155 119.850 115.700 -0.008 0.000 2.616 228 S HA 0.335 4.805 4.470 -0.000 0.000 0.276 228 S C 0.640 175.302 174.600 0.103 0.000 1.159 228 S CA -0.587 57.619 58.200 0.010 0.000 1.000 228 S CB 0.113 63.445 63.200 0.220 0.000 1.117 228 S HN 0.394 nan 8.310 nan 0.000 0.464 229 F N 2.815 122.769 119.950 0.007 0.000 2.126 229 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 229 F C 2.466 178.237 175.800 -0.049 0.000 1.096 229 F CA 1.772 59.757 58.000 -0.026 0.000 1.255 229 F CB -0.605 38.366 39.000 -0.048 0.000 0.997 229 F HN 0.818 nan 8.300 nan 0.000 0.479 230 E N 0.520 120.806 120.200 0.145 0.000 2.051 230 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 230 E C 2.209 178.782 176.600 -0.045 0.000 0.991 230 E CA 1.193 57.607 56.400 0.024 0.000 0.799 230 E CB -0.274 29.423 29.700 -0.005 0.000 0.748 230 E HN 0.391 nan 8.360 nan 0.000 0.449 231 L N 0.456 121.644 121.223 -0.059 0.000 2.201 231 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 231 L C 2.744 179.393 176.870 -0.368 0.000 1.105 231 L CA 0.774 55.483 54.840 -0.217 0.000 0.775 231 L CB -0.363 41.581 42.059 -0.192 0.000 0.913 231 L HN 0.172 nan 8.230 nan 0.000 0.440 232 S N 0.080 115.689 115.700 -0.153 0.000 2.356 232 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 232 S C 2.163 176.734 174.600 -0.050 0.000 1.032 232 S CA 1.289 59.450 58.200 -0.064 0.000 1.005 232 S CB -0.029 63.249 63.200 0.130 0.000 0.867 232 S HN 0.338 nan 8.310 nan 0.000 0.449 233 R N 0.511 120.985 120.500 -0.042 0.000 2.083 233 R HA -0.059 4.281 4.340 -0.000 0.000 0.237 233 R C 2.741 179.047 176.300 0.010 0.000 1.137 233 R CA 1.565 57.645 56.100 -0.035 0.000 0.951 233 R CB -0.408 29.847 30.300 -0.074 0.000 0.851 233 R HN 0.394 nan 8.270 nan 0.000 0.434 234 R N 0.887 121.358 120.500 -0.049 0.000 2.081 234 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 234 R C 2.154 178.479 176.300 0.041 0.000 1.131 234 R CA 1.618 57.712 56.100 -0.011 0.000 0.960 234 R CB -0.284 29.964 30.300 -0.087 0.000 0.856 234 R HN 0.233 nan 8.270 nan 0.000 0.436 235 A N 1.100 123.873 122.820 -0.077 0.000 1.908 235 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 235 A C 2.171 179.793 177.584 0.063 0.000 1.181 235 A CA 1.565 53.600 52.037 -0.003 0.000 0.627 235 A CB -0.355 18.577 19.000 -0.114 0.000 0.818 235 A HN 0.294 nan 8.150 nan 0.000 0.445 236 M N -2.259 117.402 119.600 0.103 0.000 2.200 236 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 236 M C 2.111 178.545 176.300 0.224 0.000 1.066 236 M CA 1.128 56.547 55.300 0.199 0.000 1.127 236 M CB -1.491 31.334 32.600 0.375 0.000 1.379 236 M HN 0.597 nan 8.290 nan 0.000 0.420 237 Y N 2.071 122.436 120.300 0.108 0.000 2.128 237 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 237 Y C 2.157 178.087 175.900 0.051 0.000 1.154 237 Y CA 1.849 59.998 58.100 0.081 0.000 1.149 237 Y CB -0.422 38.068 38.460 0.050 0.000 0.976 237 Y HN 0.309 nan 8.280 nan 0.000 0.505 238 N N 0.350 119.119 118.700 0.114 0.000 2.120 238 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 238 N C 2.071 177.579 175.510 -0.003 0.000 1.024 238 N CA 1.691 54.796 53.050 0.091 0.000 0.852 238 N CB -0.587 38.053 38.487 0.254 0.000 1.003 238 N HN 0.496 nan 8.380 nan 0.000 0.424 239 I N 0.710 121.185 120.570 -0.158 0.000 2.394 239 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 239 I C 1.813 177.787 176.117 -0.237 0.000 1.136 239 I CA 0.602 61.613 61.300 -0.482 0.000 1.425 239 I CB 0.077 37.566 38.000 -0.851 0.000 1.079 239 I HN 0.035 nan 8.210 nan 0.000 0.425 240 I N 0.768 121.227 120.570 -0.184 0.000 2.127 240 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 240 I C 2.533 178.519 176.117 -0.218 0.000 1.075 240 I CA 1.775 62.903 61.300 -0.288 0.000 1.334 240 I CB -0.402 37.344 38.000 -0.423 0.000 1.040 240 I HN 0.356 nan 8.210 nan 0.000 0.405 241 Q N 0.902 120.558 119.800 -0.241 0.000 2.224 241 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 241 Q C 2.255 178.243 176.000 -0.020 0.000 0.970 241 Q CA 1.394 57.100 55.803 -0.162 0.000 0.865 241 Q CB -0.476 28.143 28.738 -0.198 0.000 0.922 241 Q HN 0.524 nan 8.270 nan 0.000 0.445 242 A N 1.481 124.330 122.820 0.048 0.000 1.930 242 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 242 A C 1.930 179.647 177.584 0.222 0.000 1.175 242 A CA 1.652 53.818 52.037 0.216 0.000 0.627 242 A CB -0.785 18.412 19.000 0.329 0.000 0.815 242 A HN 0.571 nan 8.150 nan 0.000 0.443 243 H N 0.257 119.343 119.070 0.028 0.000 2.290 243 H HA -0.016 4.540 4.556 -0.000 0.000 0.298 243 H C 2.124 177.472 175.328 0.033 0.000 1.087 243 H CA 2.250 58.330 56.048 0.053 0.000 1.291 243 H CB -0.370 29.349 29.762 -0.073 0.000 1.369 243 H HN 0.354 nan 8.280 nan 0.000 0.492 244 A N 0.677 123.369 122.820 -0.212 0.000 1.883 244 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 244 A C 2.413 179.914 177.584 -0.140 0.000 1.186 244 A CA 1.784 53.675 52.037 -0.244 0.000 0.624 244 A CB -0.470 18.437 19.000 -0.155 0.000 0.822 244 A HN 0.327 nan 8.150 nan 0.000 0.444 245 R N -0.205 120.255 120.500 -0.067 0.000 2.096 245 R HA 0.028 4.368 4.340 -0.000 0.000 0.235 245 R C 2.309 178.552 176.300 -0.095 0.000 1.127 245 R CA 1.362 57.437 56.100 -0.043 0.000 0.968 245 R CB -1.294 29.013 30.300 0.011 0.000 0.861 245 R HN 0.514 nan 8.270 nan 0.000 0.440 246 A N -0.770 121.989 122.820 -0.101 0.000 1.933 246 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 246 A C 2.095 179.552 177.584 -0.212 0.000 1.175 246 A CA 1.329 53.238 52.037 -0.214 0.000 0.628 246 A CB -0.779 18.117 19.000 -0.172 0.000 0.814 246 A HN 0.444 nan 8.150 nan 0.000 0.444 247 Y N 1.221 121.306 120.300 -0.357 0.000 2.128 247 Y HA -0.246 4.303 4.550 -0.000 0.000 0.284 247 Y C 1.826 177.595 175.900 -0.218 0.000 1.154 247 Y CA 2.192 60.103 58.100 -0.314 0.000 1.149 247 Y CB -0.154 38.071 38.460 -0.391 0.000 0.976 247 Y HN 0.354 nan 8.280 nan 0.000 0.505 248 D N -0.477 119.932 120.400 0.015 0.000 2.144 248 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 248 D C 2.364 178.581 176.300 -0.139 0.000 0.978 248 D CA 1.414 55.396 54.000 -0.029 0.000 0.833 248 D CB -0.919 39.881 40.800 0.000 0.000 0.961 248 D HN 0.529 nan 8.370 nan 0.000 0.470 249 G N 0.964 109.657 108.800 -0.177 0.000 2.446 249 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 249 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 249 G C 1.796 176.537 174.900 -0.266 0.000 1.168 249 G CA 0.476 45.443 45.100 -0.221 0.000 0.771 249 G HN 0.264 nan 8.290 nan 0.000 0.551 250 I N 0.391 120.754 120.570 -0.345 0.000 2.179 250 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 250 I C 2.643 178.554 176.117 -0.344 0.000 1.088 250 I CA 1.048 62.090 61.300 -0.431 0.000 1.357 250 I CB -0.102 37.533 38.000 -0.608 0.000 1.051 250 I HN -0.012 nan 8.210 nan 0.000 0.409 251 K N 0.752 120.942 120.400 -0.350 0.000 2.280 251 K HA -0.113 4.207 4.320 -0.000 0.000 0.202 251 K C 2.220 178.729 176.600 -0.152 0.000 1.047 251 K CA 1.583 57.711 56.287 -0.264 0.000 0.942 251 K CB -0.530 31.783 32.500 -0.311 0.000 0.739 251 K HN 0.455 nan 8.250 nan 0.000 0.457 252 S N 0.429 116.041 115.700 -0.147 0.000 2.447 252 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 252 S C 1.788 176.340 174.600 -0.080 0.000 1.006 252 S CA 1.089 59.227 58.200 -0.103 0.000 0.957 252 S CB -0.245 62.886 63.200 -0.114 0.000 0.773 252 S HN 0.118 nan 8.310 nan 0.000 0.507 253 V N -2.716 117.146 119.914 -0.088 0.000 3.477 253 V HA 0.561 4.681 4.120 -0.000 0.000 0.297 253 V C 0.245 176.337 176.094 -0.004 0.000 1.433 253 V CA 0.101 62.391 62.300 -0.016 0.000 1.052 253 V CB -0.023 31.820 31.823 0.034 0.000 0.895 253 V HN 0.409 nan 8.190 nan 0.000 0.438 254 S N -0.565 115.108 115.700 -0.046 0.000 2.541 254 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 254 S C 0.113 174.709 174.600 -0.008 0.000 1.133 254 S CA -0.079 58.121 58.200 0.000 0.000 0.876 254 S CB 2.469 65.697 63.200 0.046 0.000 1.105 254 S HN 0.093 nan 8.310 nan 0.000 0.470 255 K N 1.615 122.033 120.400 0.030 0.000 2.374 255 K HA 0.293 4.613 4.320 -0.000 0.000 0.196 255 K C 0.348 176.987 176.600 0.064 0.000 1.023 255 K CA 0.104 56.410 56.287 0.031 0.000 1.103 255 K CB -0.157 32.364 32.500 0.034 0.000 0.848 255 K HN 0.608 nan 8.250 nan 0.000 0.528 256 K N 1.649 122.111 120.400 0.104 0.000 2.319 256 K HA 0.135 4.455 4.320 -0.000 0.000 0.265 256 K C -2.656 174.063 176.600 0.198 0.000 1.000 256 K CA -1.744 54.627 56.287 0.141 0.000 0.943 256 K CB 0.124 32.703 32.500 0.132 0.000 0.950 256 K HN -0.037 nan 8.250 nan 0.000 0.485 257 P HA -0.004 nan 4.420 nan 0.000 0.268 257 P C -1.126 176.459 177.300 0.475 0.000 1.204 257 P CA -0.098 63.230 63.100 0.379 0.000 0.768 257 P CB 0.593 32.580 31.700 0.479 0.000 0.842 258 V N 3.557 123.696 119.914 0.375 0.000 2.444 258 V HA 0.707 4.827 4.120 -0.000 0.000 0.294 258 V C 0.745 176.907 176.094 0.114 0.000 1.022 258 V CA -0.127 62.329 62.300 0.260 0.000 0.850 258 V CB 1.391 33.160 31.823 -0.092 0.000 0.992 258 V HN 0.779 nan 8.190 nan 0.000 0.426 259 G N 3.632 112.234 108.800 -0.331 0.000 3.262 259 G HA2 0.870 4.830 3.960 -0.000 0.000 0.229 259 G HA3 0.870 4.830 3.960 -0.000 0.000 0.229 259 G C -1.308 173.249 174.900 -0.571 0.000 1.280 259 G CA -0.633 43.835 45.100 -1.053 0.000 0.951 259 G HN 0.603 nan 8.290 nan 0.000 0.589 260 I N -0.613 119.528 120.570 -0.715 0.000 2.827 260 I HA 0.489 4.659 4.170 -0.000 0.000 0.298 260 I C -1.442 174.520 176.117 -0.259 0.000 1.235 260 I CA -1.005 60.095 61.300 -0.332 0.000 1.021 260 I CB 2.455 40.260 38.000 -0.326 0.000 1.259 260 I HN 0.305 nan 8.210 nan 0.000 0.427 261 I N 6.395 126.924 120.570 -0.069 0.000 2.404 261 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 261 I C -1.421 174.767 176.117 0.119 0.000 0.992 261 I CA -0.535 60.793 61.300 0.047 0.000 1.149 261 I CB 1.676 39.714 38.000 0.064 0.000 1.315 261 I HN 0.408 nan 8.210 nan 0.000 0.446 262 Y N 4.610 124.919 120.300 0.014 0.000 2.512 262 Y HA 0.706 5.256 4.550 -0.000 0.000 0.348 262 Y C -0.332 175.595 175.900 0.045 0.000 0.990 262 Y CA -1.006 57.095 58.100 0.001 0.000 1.033 262 Y CB 1.991 40.549 38.460 0.162 0.000 1.259 262 Y HN 0.564 nan 8.280 nan 0.000 0.461 263 A N 5.200 127.806 122.820 -0.357 0.000 2.302 263 A HA 0.428 4.748 4.320 -0.000 0.000 0.295 263 A C -0.817 176.745 177.584 -0.037 0.000 1.235 263 A CA -0.470 51.459 52.037 -0.180 0.000 0.876 263 A CB -0.324 18.504 19.000 -0.286 0.000 1.133 263 A HN 0.735 nan 8.150 nan 0.000 0.533 264 N N 0.949 119.723 118.700 0.123 0.000 2.384 264 N HA 0.547 5.287 4.740 -0.000 0.000 0.301 264 N C -0.825 174.720 175.510 0.058 0.000 1.133 264 N CA -0.291 52.871 53.050 0.186 0.000 0.853 264 N CB 2.021 40.703 38.487 0.325 0.000 1.241 264 N HN 0.538 nan 8.380 nan 0.000 0.502 265 S N -0.450 115.215 115.700 -0.058 0.000 2.568 265 S HA 0.382 4.852 4.470 -0.000 0.000 0.293 265 S C -0.867 173.564 174.600 -0.283 0.000 1.089 265 S CA -0.623 57.416 58.200 -0.269 0.000 0.945 265 S CB 1.231 64.075 63.200 -0.593 0.000 1.077 265 S HN 0.433 nan 8.310 nan 0.000 0.485 266 S N 3.248 118.920 115.700 -0.046 0.000 2.411 266 S HA 0.521 4.990 4.470 -0.000 0.000 0.294 266 S C -1.035 173.429 174.600 -0.227 0.000 1.115 266 S CA -0.530 57.668 58.200 -0.003 0.000 1.071 266 S CB -0.646 62.711 63.200 0.261 0.000 0.967 266 S HN 0.473 nan 8.310 nan 0.000 0.488 267 F N 4.261 124.200 119.950 -0.019 0.000 2.438 267 F HA 0.419 4.946 4.527 -0.000 0.000 0.356 267 F C 1.054 176.810 175.800 -0.073 0.000 1.099 267 F CA -0.202 57.750 58.000 -0.080 0.000 1.185 267 F CB 0.878 39.801 39.000 -0.127 0.000 1.115 267 F HN 0.387 nan 8.300 nan 0.000 0.526 268 Q N 5.063 124.865 119.800 0.004 0.000 2.375 268 Q HA 0.377 4.717 4.340 -0.000 0.000 0.271 268 Q C -2.710 173.247 176.000 -0.072 0.000 1.074 268 Q CA -2.219 53.554 55.803 -0.050 0.000 0.808 268 Q CB 2.533 31.158 28.738 -0.189 0.000 1.327 268 Q HN 0.266 nan 8.270 nan 0.000 0.441 269 P HA 0.072 nan 4.420 nan 0.000 0.280 269 P C 0.551 177.795 177.300 -0.094 0.000 1.244 269 P CA -0.419 62.650 63.100 -0.051 0.000 0.784 269 P CB 1.137 32.827 31.700 -0.017 0.000 0.913 270 L N 3.497 124.656 121.223 -0.107 0.000 1.994 270 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 270 L C 1.063 177.898 176.870 -0.058 0.000 1.071 270 L CA 2.449 57.213 54.840 -0.128 0.000 0.745 270 L CB -0.913 41.088 42.059 -0.096 0.000 0.892 270 L HN 0.579 nan 8.230 nan 0.000 0.431 271 T N -4.569 109.969 114.554 -0.025 0.000 2.926 271 T HA 0.332 4.682 4.350 -0.000 0.000 0.289 271 T C 0.532 175.233 174.700 0.001 0.000 1.054 271 T CA -0.081 62.017 62.100 -0.003 0.000 1.015 271 T CB 1.202 70.074 68.868 0.007 0.000 1.167 271 T HN 0.294 nan 8.240 nan 0.000 0.526 272 D N -0.332 120.074 120.400 0.010 0.000 2.351 272 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 272 D C 1.449 177.755 176.300 0.010 0.000 0.968 272 D CA 0.965 54.972 54.000 0.013 0.000 0.899 272 D CB -0.350 40.460 40.800 0.017 0.000 0.907 272 D HN 0.547 nan 8.370 nan 0.000 0.514 273 K N -0.090 120.315 120.400 0.008 0.000 2.504 273 K HA 0.094 4.414 4.320 -0.000 0.000 0.199 273 K C 0.164 176.767 176.600 0.005 0.000 1.028 273 K CA -0.050 56.241 56.287 0.007 0.000 1.164 273 K CB -0.597 31.909 32.500 0.009 0.000 0.877 273 K HN 0.173 nan 8.250 nan 0.000 0.508 274 D N -0.090 120.311 120.400 0.001 0.000 2.571 274 D HA 0.236 4.876 4.640 -0.000 0.000 0.239 274 D C 0.801 177.093 176.300 -0.013 0.000 1.267 274 D CA -0.118 53.880 54.000 -0.004 0.000 0.823 274 D CB 0.503 41.299 40.800 -0.007 0.000 1.056 274 D HN 0.248 nan 8.370 nan 0.000 0.494 275 M N 0.679 120.274 119.600 -0.008 0.000 2.229 275 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 275 M C 1.970 178.253 176.300 -0.027 0.000 1.063 275 M CA 1.380 56.674 55.300 -0.010 0.000 1.114 275 M CB 0.121 32.722 32.600 0.001 0.000 1.387 275 M HN -0.036 nan 8.290 nan 0.000 0.420 276 E N -0.408 119.777 120.200 -0.026 0.000 2.106 276 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 276 E C 1.855 178.408 176.600 -0.077 0.000 0.984 276 E CA 1.294 57.672 56.400 -0.037 0.000 0.806 276 E CB -0.135 29.554 29.700 -0.018 0.000 0.750 276 E HN 0.478 nan 8.360 nan 0.000 0.458 277 A N 0.584 123.363 122.820 -0.069 0.000 1.908 277 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 277 A C 2.441 179.846 177.584 -0.299 0.000 1.181 277 A CA 1.648 53.610 52.037 -0.125 0.000 0.627 277 A CB -0.846 18.146 19.000 -0.013 0.000 0.818 277 A HN 0.247 nan 8.150 nan 0.000 0.445 278 V N 0.030 119.837 119.914 -0.179 0.000 2.295 278 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 278 V C 2.448 178.387 176.094 -0.258 0.000 1.049 278 V CA 2.390 64.584 62.300 -0.176 0.000 1.024 278 V CB -0.816 30.983 31.823 -0.041 0.000 0.648 278 V HN 0.664 nan 8.190 nan 0.000 0.447 279 E N -0.493 119.608 120.200 -0.165 0.000 2.077 279 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 279 E C 2.240 178.727 176.600 -0.188 0.000 0.989 279 E CA 1.533 57.866 56.400 -0.111 0.000 0.800 279 E CB -0.244 29.436 29.700 -0.034 0.000 0.746 279 E HN 0.535 nan 8.360 nan 0.000 0.452 280 M N 0.594 120.036 119.600 -0.264 0.000 2.080 280 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 280 M C 2.539 178.483 176.300 -0.593 0.000 1.068 280 M CA 1.604 56.714 55.300 -0.317 0.000 1.109 280 M CB -0.327 32.124 32.600 -0.249 0.000 1.342 280 M HN 0.138 nan 8.290 nan 0.000 0.405 281 A N 0.284 122.455 122.820 -1.082 0.000 1.908 281 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 281 A C 1.928 178.834 177.584 -1.130 0.000 1.181 281 A CA 1.957 53.225 52.037 -1.283 0.000 0.627 281 A CB -0.739 17.419 19.000 -1.403 0.000 0.818 281 A HN 0.560 nan 8.150 nan 0.000 0.445 282 E N -0.176 119.492 120.200 -0.887 0.000 2.106 282 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 282 E C 1.842 178.100 176.600 -0.569 0.000 0.984 282 E CA 1.005 56.941 56.400 -0.772 0.000 0.806 282 E CB -0.188 29.174 29.700 -0.565 0.000 0.750 282 E HN 0.551 nan 8.360 nan 0.000 0.458 283 N N 1.323 119.907 118.700 -0.193 0.000 2.043 283 N HA -0.158 4.582 4.740 -0.000 0.000 0.193 283 N C 1.334 176.936 175.510 0.154 0.000 1.037 283 N CA 1.370 54.487 53.050 0.111 0.000 0.851 283 N CB -0.387 38.165 38.487 0.108 0.000 1.027 283 N HN 0.138 nan 8.380 nan 0.000 0.422 284 D N 0.101 120.501 120.400 -0.000 0.000 2.264 284 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 284 D C 0.942 177.342 176.300 0.168 0.000 0.966 284 D CA 0.707 54.719 54.000 0.021 0.000 0.864 284 D CB -0.126 40.678 40.800 0.007 0.000 0.933 284 D HN 0.332 nan 8.370 nan 0.000 0.499 285 N N -0.601 118.182 118.700 0.138 0.000 2.227 285 N HA 0.099 4.839 4.740 -0.000 0.000 0.196 285 N C 1.376 177.118 175.510 0.387 0.000 1.142 285 N CA 0.033 53.251 53.050 0.281 0.000 0.887 285 N CB 1.836 40.428 38.487 0.175 0.000 1.022 285 N HN 0.135 nan 8.380 nan 0.000 0.500 286 R N -0.694 119.923 120.500 0.194 0.000 4.126 286 R HA 0.127 4.467 4.340 -0.000 0.000 0.128 286 R C 0.937 177.345 176.300 0.179 0.000 0.687 286 R CA -0.108 56.008 56.100 0.026 0.000 1.049 286 R CB -0.315 29.676 30.300 -0.515 0.000 1.559 286 R HN -0.021 nan 8.270 nan 0.000 0.455 287 W N 1.856 123.279 121.300 0.204 0.000 2.358 287 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 287 W C 2.124 178.765 176.519 0.203 0.000 1.208 287 W CA 0.465 57.937 57.345 0.213 0.000 1.274 287 W CB -0.419 29.110 29.460 0.115 0.000 1.138 287 W HN 0.387 nan 8.180 nan 0.000 0.515 288 W N 0.625 122.131 121.300 0.344 0.000 2.321 288 W HA -0.296 4.364 4.660 -0.000 0.000 0.306 288 W C 1.832 178.457 176.519 0.178 0.000 1.217 288 W CA 1.218 58.691 57.345 0.213 0.000 1.257 288 W CB -1.927 27.623 29.460 0.150 0.000 1.145 288 W HN 0.039 nan 8.180 nan 0.000 0.509 289 F N 0.685 119.868 119.950 -1.278 0.000 2.128 289 F HA -0.042 4.485 4.527 -0.000 0.000 0.295 289 F C 2.276 177.573 175.800 -0.838 0.000 1.100 289 F CA 1.887 59.000 58.000 -1.478 0.000 1.260 289 F CB -1.027 37.080 39.000 -1.489 0.000 1.009 289 F HN -0.269 nan 8.300 nan 0.000 0.476 290 F N 0.724 120.534 119.950 -0.233 0.000 2.259 290 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 290 F C 2.121 177.746 175.800 -0.292 0.000 1.088 290 F CA 1.232 59.070 58.000 -0.270 0.000 1.358 290 F CB -0.623 38.302 39.000 -0.125 0.000 1.040 290 F HN -0.061 nan 8.300 nan 0.000 0.505 291 D N 0.023 120.474 120.400 0.085 0.000 2.219 291 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 291 D C 2.266 178.511 176.300 -0.091 0.000 0.970 291 D CA 1.139 55.182 54.000 0.072 0.000 0.851 291 D CB -0.376 40.517 40.800 0.156 0.000 0.943 291 D HN 0.236 nan 8.370 nan 0.000 0.488 292 A N 0.979 123.654 122.820 -0.241 0.000 1.855 292 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 292 A C 2.220 179.588 177.584 -0.360 0.000 1.191 292 A CA 1.239 53.096 52.037 -0.301 0.000 0.613 292 A CB -0.697 18.049 19.000 -0.424 0.000 0.829 292 A HN 0.383 nan 8.150 nan 0.000 0.442 293 I N -3.810 116.441 120.570 -0.532 0.000 3.251 293 I HA 0.151 4.321 4.170 -0.000 0.000 0.277 293 I C 1.754 177.669 176.117 -0.335 0.000 1.268 293 I CA 0.800 61.828 61.300 -0.454 0.000 1.449 293 I CB -0.053 37.580 38.000 -0.612 0.000 1.083 293 I HN 0.201 nan 8.210 nan 0.000 0.464 294 I N 0.800 121.191 120.570 -0.298 0.000 2.947 294 I HA 0.081 4.251 4.170 -0.000 0.000 0.263 294 I C 2.158 178.192 176.117 -0.139 0.000 1.130 294 I CA 0.439 61.602 61.300 -0.229 0.000 1.448 294 I CB 0.097 37.915 38.000 -0.303 0.000 1.222 294 I HN 0.006 nan 8.210 nan 0.000 0.453 295 R N 0.600 121.040 120.500 -0.099 0.000 2.362 295 R HA 0.263 4.603 4.340 -0.000 0.000 0.227 295 R C 1.198 177.461 176.300 -0.062 0.000 0.905 295 R CA 0.564 56.635 56.100 -0.049 0.000 1.067 295 R CB 0.701 31.004 30.300 0.004 0.000 1.078 295 R HN 0.394 nan 8.270 nan 0.000 0.516 296 G N 1.697 110.436 108.800 -0.101 0.000 2.175 296 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.265 296 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.265 296 G C -0.280 174.588 174.900 -0.054 0.000 0.979 296 G CA 0.292 45.337 45.100 -0.092 0.000 0.663 296 G HN 0.417 nan 8.290 nan 0.000 0.533 297 E N -0.310 119.869 120.200 -0.035 0.000 2.223 297 E HA 0.661 5.011 4.350 -0.000 0.000 0.282 297 E C 0.182 176.803 176.600 0.035 0.000 1.046 297 E CA -0.114 56.291 56.400 0.008 0.000 0.857 297 E CB 1.414 31.130 29.700 0.027 0.000 1.055 297 E HN 0.466 nan 8.360 nan 0.000 0.409 298 I N 1.432 122.041 120.570 0.065 0.000 3.102 298 I HA 0.292 4.462 4.170 -0.000 0.000 0.310 298 I C -1.063 175.127 176.117 0.122 0.000 1.246 298 I CA -0.481 60.895 61.300 0.127 0.000 0.979 298 I CB 2.656 40.738 38.000 0.136 0.000 1.267 298 I HN 0.341 nan 8.210 nan 0.000 0.451 299 T N 4.545 119.185 114.554 0.144 0.000 2.823 299 T HA 0.562 4.912 4.350 -0.000 0.000 0.279 299 T C -0.587 174.131 174.700 0.030 0.000 0.998 299 T CA -0.460 61.681 62.100 0.067 0.000 0.994 299 T CB 1.562 70.449 68.868 0.032 0.000 0.960 299 T HN 0.534 nan 8.240 nan 0.000 0.448 305 I N -1.641 118.945 120.570 0.027 0.000 3.264 305 I HA 0.896 5.066 4.170 -0.000 0.000 0.309 305 I C -0.006 176.123 176.117 0.020 0.000 1.099 305 I CA -1.561 59.751 61.300 0.020 0.000 0.989 305 I CB 2.288 40.300 38.000 0.020 0.000 1.250 305 I HN 0.131 nan 8.210 nan 0.000 0.478 306 V N 1.647 121.566 119.914 0.009 0.000 2.384 306 V HA 0.515 4.635 4.120 -0.000 0.000 0.287 306 V C -0.123 175.969 176.094 -0.003 0.000 1.020 306 V CA -0.511 61.788 62.300 -0.001 0.000 0.850 306 V CB 1.155 32.974 31.823 -0.007 0.000 0.987 306 V HN 0.567 nan 8.190 nan 0.000 0.436 307 R N 2.777 123.270 120.500 -0.013 0.000 2.265 307 R HA 0.326 4.666 4.340 -0.000 0.000 0.328 307 R C 0.059 176.338 176.300 -0.035 0.000 0.969 307 R CA -0.592 55.498 56.100 -0.017 0.000 0.832 307 R CB 1.256 31.547 30.300 -0.016 0.000 1.139 307 R HN 0.687 nan 8.270 nan 0.000 0.457 308 D N 1.582 121.966 120.400 -0.027 0.000 2.269 308 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 308 D C 1.075 177.350 176.300 -0.042 0.000 0.963 308 D CA 1.218 55.198 54.000 -0.032 0.000 0.864 308 D CB 0.255 41.043 40.800 -0.020 0.000 0.936 308 D HN 0.647 nan 8.370 nan 0.000 0.505 309 D N 0.243 120.620 120.400 -0.039 0.000 2.363 309 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 309 D C 1.909 178.159 176.300 -0.084 0.000 0.994 309 D CA 0.217 54.189 54.000 -0.047 0.000 0.890 309 D CB -0.037 40.745 40.800 -0.029 0.000 0.906 309 D HN 0.270 nan 8.370 nan 0.000 0.530 310 L N -0.357 120.806 121.223 -0.100 0.000 2.388 310 L HA 0.123 4.463 4.340 -0.000 0.000 0.209 310 L C 1.417 178.185 176.870 -0.170 0.000 1.061 310 L CA -0.230 54.522 54.840 -0.148 0.000 0.834 310 L CB -0.062 41.904 42.059 -0.155 0.000 1.029 310 L HN -0.171 nan 8.230 nan 0.000 0.473 311 K N 0.907 121.228 120.400 -0.130 0.000 2.524 311 K HA 0.075 4.395 4.320 -0.000 0.000 0.279 311 K C 0.975 177.480 176.600 -0.159 0.000 0.993 311 K CA 0.950 57.161 56.287 -0.126 0.000 1.030 311 K CB 0.309 32.761 32.500 -0.080 0.000 0.891 311 K HN 0.265 nan 8.250 nan 0.000 0.488 312 G N 3.294 111.989 108.800 -0.174 0.000 2.179 312 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 312 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 312 G C 0.048 174.724 174.900 -0.373 0.000 1.010 312 G CA 0.329 45.315 45.100 -0.190 0.000 0.736 312 G HN 0.591 nan 8.290 nan 0.000 0.513 313 R N -0.717 119.473 120.500 -0.517 0.000 4.518 313 R HA 0.676 5.016 4.340 -0.000 0.000 0.243 313 R C -0.253 175.510 176.300 -0.895 0.000 1.720 313 R CA -0.186 55.248 56.100 -1.110 0.000 1.526 313 R CB -0.086 29.775 30.300 -0.732 0.000 1.425 313 R HN 0.417 nan 8.270 nan 0.000 0.787 314 L N -0.502 120.386 121.223 -0.560 0.000 2.705 314 L HA 0.284 4.624 4.340 -0.000 0.000 0.260 314 L C -0.633 176.258 176.870 0.036 0.000 0.921 314 L CA -0.001 54.764 54.840 -0.125 0.000 0.948 314 L CB 2.163 44.128 42.059 -0.156 0.000 1.427 314 L HN 0.108 nan 8.230 nan 0.000 0.432 315 D N 3.204 123.708 120.400 0.173 0.000 2.380 315 D HA 0.147 4.787 4.640 -0.000 0.000 0.212 315 D C -0.427 175.940 176.300 0.111 0.000 1.021 315 D CA 0.976 55.113 54.000 0.229 0.000 0.884 315 D CB 0.458 41.500 40.800 0.404 0.000 1.001 315 D HN 0.502 nan 8.370 nan 0.000 0.506 316 W N 0.124 121.325 121.300 -0.166 0.000 3.066 316 W HA 0.555 5.215 4.660 -0.000 0.000 0.330 316 W C -2.086 174.321 176.519 -0.186 0.000 1.253 316 W CA -0.947 56.139 57.345 -0.431 0.000 1.187 316 W CB 0.356 29.282 29.460 -0.889 0.000 1.434 316 W HN -0.403 nan 8.180 nan 0.000 0.572 317 I N 2.213 122.811 120.570 0.046 0.000 2.418 317 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 317 I C 0.613 176.826 176.117 0.160 0.000 1.008 317 I CA -0.722 60.499 61.300 -0.131 0.000 1.104 317 I CB 1.960 39.699 38.000 -0.435 0.000 1.264 317 I HN 0.603 nan 8.210 nan 0.000 0.438 318 G N 5.951 114.810 108.800 0.099 0.000 2.327 318 G HA2 0.481 4.441 3.960 -0.000 0.000 0.302 318 G HA3 0.481 4.441 3.960 -0.000 0.000 0.302 318 G C -0.497 174.507 174.900 0.173 0.000 1.113 318 G CA -0.254 45.059 45.100 0.355 0.000 0.921 318 G HN 0.352 nan 8.290 nan 0.000 0.425 319 V N 4.101 124.126 119.914 0.185 0.000 2.348 319 V HA 0.185 4.305 4.120 -0.000 0.000 0.270 319 V C -0.390 175.821 176.094 0.195 0.000 1.037 319 V CA -1.095 61.314 62.300 0.182 0.000 0.872 319 V CB 0.819 32.758 31.823 0.193 0.000 1.002 319 V HN 0.609 nan 8.190 nan 0.000 0.464 320 N N 4.070 122.881 118.700 0.185 0.000 2.426 320 N HA 0.467 5.207 4.740 -0.000 0.000 0.275 320 N C -1.046 174.550 175.510 0.144 0.000 1.019 320 N CA -0.259 52.860 53.050 0.115 0.000 0.941 320 N CB 1.297 39.847 38.487 0.105 0.000 1.123 320 N HN 0.719 nan 8.380 nan 0.000 0.486 321 Y N 1.923 122.137 120.300 -0.144 0.000 2.433 321 Y HA 0.333 4.883 4.550 -0.000 0.000 0.337 321 Y C -0.884 174.816 175.900 -0.334 0.000 1.026 321 Y CA -0.605 57.444 58.100 -0.084 0.000 1.037 321 Y CB 0.835 39.326 38.460 0.052 0.000 1.245 321 Y HN 0.560 nan 8.280 nan 0.000 0.443 322 Y N 1.979 121.836 120.300 -0.737 0.000 2.652 322 Y HA 0.369 4.919 4.550 -0.000 0.000 0.275 322 Y C 0.968 176.580 175.900 -0.479 0.000 1.133 322 Y CA 0.669 58.550 58.100 -0.364 0.000 1.246 322 Y CB 1.287 39.643 38.460 -0.174 0.000 1.334 322 Y HN 0.624 nan 8.280 nan 0.000 0.493 323 T N -0.421 113.677 114.554 -0.759 0.000 2.658 323 T HA 0.417 4.767 4.350 -0.000 0.000 0.305 323 T C -1.583 173.008 174.700 -0.182 0.000 1.551 323 T CA -0.968 61.012 62.100 -0.201 0.000 0.985 323 T CB 1.039 69.928 68.868 0.035 0.000 1.731 323 T HN 0.204 nan 8.240 nan 0.000 0.486 324 R N 0.113 120.603 120.500 -0.018 0.000 2.608 324 R HA 0.849 5.189 4.340 -0.000 0.000 0.255 324 R C -1.002 175.116 176.300 -0.304 0.000 1.086 324 R CA -0.642 55.361 56.100 -0.161 0.000 1.125 324 R CB 0.787 30.812 30.300 -0.458 0.000 1.193 324 R HN 0.474 nan 8.270 nan 0.000 0.553 325 T N 0.781 115.097 114.554 -0.397 0.000 2.879 325 T HA 0.313 4.663 4.350 -0.000 0.000 0.290 325 T C -0.931 173.630 174.700 -0.232 0.000 0.993 325 T CA -0.685 61.215 62.100 -0.333 0.000 0.975 325 T CB 1.771 70.398 68.868 -0.402 0.000 0.981 325 T HN 0.338 nan 8.240 nan 0.000 0.439 326 V N 4.529 124.312 119.914 -0.218 0.000 2.439 326 V HA 0.634 4.754 4.120 -0.000 0.000 0.282 326 V C 0.249 176.280 176.094 -0.105 0.000 1.039 326 V CA -0.520 61.618 62.300 -0.270 0.000 0.913 326 V CB 1.259 32.693 31.823 -0.647 0.000 0.983 326 V HN 0.772 nan 8.190 nan 0.000 0.460 327 V N 2.866 122.755 119.914 -0.041 0.000 2.914 327 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 327 V C -0.680 175.428 176.094 0.023 0.000 1.084 327 V CA -1.061 61.273 62.300 0.057 0.000 0.963 327 V CB 1.877 33.784 31.823 0.140 0.000 1.025 327 V HN 0.955 nan 8.190 nan 0.000 0.432 328 K N 1.516 121.956 120.400 0.067 0.000 2.385 328 K HA 0.793 5.113 4.320 -0.000 0.000 0.248 328 K C -0.603 176.048 176.600 0.085 0.000 0.955 328 K CA -1.058 55.258 56.287 0.048 0.000 0.816 328 K CB 2.283 34.800 32.500 0.027 0.000 1.250 328 K HN 0.638 nan 8.250 nan 0.000 0.434 329 R N 0.959 121.494 120.500 0.058 0.000 2.543 329 R HA 0.213 4.553 4.340 -0.000 0.000 0.277 329 R C -0.553 175.774 176.300 0.046 0.000 1.074 329 R CA 0.507 56.645 56.100 0.063 0.000 1.076 329 R CB 0.551 30.874 30.300 0.037 0.000 0.993 329 R HN 0.957 nan 8.270 nan 0.000 0.459 330 T N -1.052 113.526 114.554 0.041 0.000 2.858 330 T HA 0.334 4.684 4.350 -0.000 0.000 0.285 330 T C 0.740 175.445 174.700 0.009 0.000 1.052 330 T CA -0.852 61.256 62.100 0.014 0.000 1.009 330 T CB 1.188 70.051 68.868 -0.009 0.000 1.241 330 T HN 0.562 nan 8.240 nan 0.000 0.542 331 E N 0.556 120.755 120.200 -0.001 0.000 2.023 331 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 331 E C 2.635 179.230 176.600 -0.009 0.000 1.003 331 E CA 1.763 58.160 56.400 -0.004 0.000 0.809 331 E CB -0.392 29.304 29.700 -0.007 0.000 0.755 331 E HN 0.770 nan 8.360 nan 0.000 0.449 332 K N 0.692 121.080 120.400 -0.021 0.000 2.283 332 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 332 K C 1.297 177.877 176.600 -0.032 0.000 1.048 332 K CA 1.654 57.920 56.287 -0.034 0.000 0.948 332 K CB -0.114 nan 32.500 nan 0.000 0.742 332 K HN 0.383 nan 8.250 nan 0.000 0.458 333 G N -2.006 106.785 108.800 -0.015 0.000 2.070 333 G HA2 0.330 4.290 3.960 -0.000 0.000 0.076 333 G HA3 0.330 4.290 3.960 -0.000 0.000 0.076 333 G C -0.757 174.211 174.900 0.113 0.000 0.735 333 G CA 0.275 45.400 45.100 0.041 0.000 1.158 333 G HN 1.100 nan 8.290 nan 0.000 0.393 334 Y N -0.154 120.118 120.300 -0.048 0.000 2.597 334 Y HA 0.790 5.340 4.550 -0.000 0.000 0.340 334 Y C -0.680 175.198 175.900 -0.036 0.000 1.097 334 Y CA -1.098 56.977 58.100 -0.042 0.000 1.037 334 Y CB 1.635 40.063 38.460 -0.054 0.000 1.305 334 Y HN 1.155 nan 8.280 nan 0.000 0.463 335 V N -0.742 119.172 119.914 -0.000 0.000 2.962 335 V HA 0.790 4.910 4.120 -0.000 0.000 0.313 335 V C -0.490 175.665 176.094 0.102 0.000 1.099 335 V CA -0.936 61.329 62.300 -0.059 0.000 0.971 335 V CB 1.462 33.256 31.823 -0.048 0.000 1.028 335 V HN 0.929 nan 8.190 nan 0.000 0.430 336 S N 2.945 118.694 115.700 0.082 0.000 2.586 336 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 336 S C -0.362 174.267 174.600 0.048 0.000 1.281 336 S CA -0.445 57.810 58.200 0.092 0.000 1.035 336 S CB 0.965 64.218 63.200 0.087 0.000 0.962 336 S HN 0.637 nan 8.310 nan 0.000 0.512 337 L N 2.119 123.372 121.223 0.049 0.000 2.296 337 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 337 L C 1.025 177.976 176.870 0.135 0.000 1.023 337 L CA -0.520 54.384 54.840 0.107 0.000 0.812 337 L CB 1.039 43.194 42.059 0.160 0.000 1.223 337 L HN 0.778 nan 8.230 nan 0.000 0.421 338 G N 0.693 109.545 108.800 0.086 0.000 2.594 338 G HA2 0.395 4.355 3.960 -0.000 0.000 0.243 338 G HA3 0.395 4.355 3.960 -0.000 0.000 0.243 338 G C 0.900 175.812 174.900 0.020 0.000 1.229 338 G CA 0.400 45.527 45.100 0.044 0.000 0.843 338 G HN 1.043 nan 8.290 nan 0.000 0.578 339 G N -0.967 107.794 108.800 -0.065 0.000 2.176 339 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 339 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 339 G C 0.048 174.673 174.900 -0.459 0.000 0.979 339 G CA 0.862 45.812 45.100 -0.250 0.000 0.641 339 G HN 0.871 nan 8.290 nan 0.000 0.530 340 Y N -0.978 119.297 120.300 -0.043 0.000 2.638 340 Y HA 0.582 5.132 4.550 -0.000 0.000 0.339 340 Y C 1.322 177.156 175.900 -0.110 0.000 1.084 340 Y CA 0.104 58.166 58.100 -0.064 0.000 1.068 340 Y CB 1.174 39.573 38.460 -0.102 0.000 1.294 340 Y HN 1.139 nan 8.280 nan 0.000 0.480 341 G N 1.056 109.903 108.800 0.079 0.000 2.622 341 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.307 341 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.307 341 G C 0.885 175.777 174.900 -0.015 0.000 1.226 341 G CA 0.820 45.892 45.100 -0.047 0.000 0.997 341 G HN 1.198 nan 8.290 nan 0.000 0.551 342 H N 1.625 120.615 119.070 -0.133 0.000 2.547 342 H HA 0.310 4.866 4.556 -0.000 0.000 0.266 342 H C 1.705 177.073 175.328 0.066 0.000 0.988 342 H CA 0.977 56.912 56.048 -0.188 0.000 1.147 342 H CB -0.117 29.244 29.762 -0.667 0.000 1.365 342 H HN 0.846 nan 8.280 nan 0.000 0.589 343 G N 1.369 110.142 108.800 -0.046 0.000 3.949 343 G HA2 0.315 4.275 3.960 -0.000 0.000 0.295 343 G HA3 0.315 4.275 3.960 -0.000 0.000 0.295 343 G C -0.412 174.531 174.900 0.072 0.000 1.286 343 G CA -0.268 44.866 45.100 0.057 0.000 1.171 343 G HN 0.316 nan 8.290 nan 0.000 0.586 344 C N -0.485 118.891 119.300 0.127 0.000 2.423 344 C HA 0.517 4.977 4.460 -0.000 0.000 0.378 344 C C 0.614 175.662 174.990 0.097 0.000 1.244 344 C CA -0.990 58.076 59.018 0.080 0.000 1.978 344 C CB 1.647 29.436 27.740 0.082 0.000 2.252 344 C HN 0.522 nan 8.230 nan 0.000 0.526 345 E N 0.553 120.784 120.200 0.052 0.000 2.398 345 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 345 E C -0.192 176.448 176.600 0.068 0.000 1.046 345 E CA 0.127 56.559 56.400 0.054 0.000 0.908 345 E CB 0.509 30.223 29.700 0.022 0.000 0.963 345 E HN 0.408 nan 8.360 nan 0.000 0.431 346 R N 2.072 122.614 120.500 0.070 0.000 2.590 346 R HA 0.034 4.374 4.340 -0.000 0.000 0.274 346 R C -0.144 176.181 176.300 0.041 0.000 1.061 346 R CA 0.018 56.153 56.100 0.058 0.000 1.081 346 R CB -0.044 30.281 30.300 0.042 0.000 0.984 346 R HN 0.623 nan 8.270 nan 0.000 0.448 347 N N 0.135 118.861 118.700 0.042 0.000 2.667 347 N HA -0.245 4.495 4.740 -0.000 0.000 0.263 347 N C -0.811 174.719 175.510 0.032 0.000 1.038 347 N CA 1.028 54.105 53.050 0.045 0.000 0.749 347 N CB -0.425 38.088 38.487 0.044 0.000 0.892 347 N HN 0.608 nan 8.380 nan 0.000 0.546 348 S N -1.336 114.373 115.700 0.016 0.000 3.576 348 S HA 0.798 5.268 4.470 -0.000 0.000 0.321 348 S C -1.358 173.192 174.600 -0.082 0.000 1.174 348 S CA -0.052 58.122 58.200 -0.044 0.000 1.102 348 S CB 0.867 64.035 63.200 -0.053 0.000 1.467 348 S HN 0.599 nan 8.310 nan 0.000 0.701 349 V N 1.289 121.085 119.914 -0.197 0.000 2.962 349 V HA 0.908 5.028 4.120 -0.000 0.000 0.313 349 V C 0.151 176.165 176.094 -0.134 0.000 1.099 349 V CA -0.211 61.993 62.300 -0.160 0.000 0.971 349 V CB 1.095 32.774 31.823 -0.240 0.000 1.028 349 V HN 1.102 nan 8.190 nan 0.000 0.430 350 S N 2.429 118.092 115.700 -0.061 0.000 2.641 350 S HA 0.398 4.868 4.470 -0.000 0.000 0.261 350 S C 1.015 175.502 174.600 -0.188 0.000 1.257 350 S CA -0.360 57.773 58.200 -0.111 0.000 0.983 350 S CB 0.401 63.584 63.200 -0.028 0.000 0.990 350 S HN 0.817 nan 8.310 nan 0.000 0.572 351 L N 0.154 121.139 121.223 -0.398 0.000 2.265 351 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 351 L C 2.562 179.359 176.870 -0.122 0.000 1.117 351 L CA 1.289 55.908 54.840 -0.369 0.000 0.782 351 L CB -0.834 40.821 42.059 -0.674 0.000 0.914 351 L HN 0.897 nan 8.230 nan 0.000 0.441 352 A N -0.664 122.150 122.820 -0.010 0.000 2.275 352 A HA 0.368 4.688 4.320 -0.000 0.000 0.212 352 A C 1.722 179.371 177.584 0.109 0.000 1.201 352 A CA 0.624 52.753 52.037 0.154 0.000 0.843 352 A CB -0.193 18.977 19.000 0.285 0.000 0.873 352 A HN 0.477 nan 8.150 nan 0.000 0.492 353 G N -1.184 107.647 108.800 0.052 0.000 2.157 353 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.248 353 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.248 353 G C 0.034 174.968 174.900 0.057 0.000 0.979 353 G CA 0.319 45.449 45.100 0.049 0.000 0.650 353 G HN 0.431 nan 8.290 nan 0.000 0.529 354 L N 2.061 123.342 121.223 0.097 0.000 2.334 354 L HA 0.470 4.810 4.340 -0.000 0.000 0.277 354 L C -1.484 175.455 176.870 0.115 0.000 1.075 354 L CA -2.363 52.562 54.840 0.142 0.000 0.804 354 L CB 1.236 43.463 42.059 0.280 0.000 1.174 354 L HN -0.073 nan 8.230 nan 0.000 0.438 355 P HA 0.084 nan 4.420 nan 0.000 0.271 355 P C -0.684 176.730 177.300 0.190 0.000 1.218 355 P CA -0.251 62.896 63.100 0.079 0.000 0.780 355 P CB 0.815 32.515 31.700 0.000 0.000 0.901 356 T N -1.408 113.236 114.554 0.149 0.000 2.940 356 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 356 T C 0.455 175.255 174.700 0.167 0.000 1.033 356 T CA -0.638 61.581 62.100 0.199 0.000 1.033 356 T CB 0.925 69.886 68.868 0.156 0.000 1.079 356 T HN 0.458 nan 8.240 nan 0.000 0.496 357 S N 0.607 116.408 115.700 0.167 0.000 2.671 357 S HA 0.258 4.728 4.470 -0.000 0.000 0.272 357 S C 0.489 175.077 174.600 -0.020 0.000 1.174 357 S CA -0.422 57.815 58.200 0.061 0.000 1.004 357 S CB 0.130 63.333 63.200 0.004 0.000 1.077 357 S HN 0.671 nan 8.310 nan 0.000 0.553 358 D N -0.274 120.056 120.400 -0.116 0.000 2.309 358 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 358 D C 0.788 176.991 176.300 -0.163 0.000 0.968 358 D CA 0.901 54.812 54.000 -0.147 0.000 0.882 358 D CB -0.302 40.359 40.800 -0.232 0.000 0.918 358 D HN 0.494 nan 8.370 nan 0.000 0.503 359 F N -0.146 119.567 119.950 -0.396 0.000 2.727 359 F HA 0.301 4.828 4.527 -0.000 0.000 0.302 359 F C 1.606 177.207 175.800 -0.332 0.000 1.097 359 F CA 0.026 57.709 58.000 -0.528 0.000 1.330 359 F CB 0.304 38.565 39.000 -1.231 0.000 1.084 359 F HN 0.031 nan 8.300 nan 0.000 0.578 360 G N -0.170 108.669 108.800 0.064 0.000 2.149 360 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 360 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 360 G C -0.375 174.760 174.900 0.392 0.000 1.018 360 G CA -0.181 45.035 45.100 0.193 0.000 0.728 360 G HN 0.122 nan 8.290 nan 0.000 0.508 361 W N 0.857 122.253 121.300 0.161 0.000 2.433 361 W HA 0.636 5.296 4.660 -0.000 0.000 0.315 361 W C 0.485 177.136 176.519 0.219 0.000 1.087 361 W CA -2.190 55.251 57.345 0.161 0.000 1.205 361 W CB 0.662 30.212 29.460 0.150 0.000 1.288 361 W HN 0.315 nan 8.180 nan 0.000 0.504 362 E N 2.261 122.711 120.200 0.418 0.000 2.384 362 E HA 0.034 4.384 4.350 -0.000 0.000 0.266 362 E C -0.857 176.061 176.600 0.531 0.000 1.012 362 E CA -0.477 56.160 56.400 0.395 0.000 0.901 362 E CB 0.573 30.446 29.700 0.288 0.000 0.967 362 E HN 0.274 nan 8.360 nan 0.000 0.435 363 F N 5.666 125.863 119.950 0.413 0.000 2.502 363 F HA 0.190 4.717 4.527 -0.000 0.000 0.371 363 F C -0.814 175.273 175.800 0.479 0.000 1.083 363 F CA 0.129 58.412 58.000 0.472 0.000 1.174 363 F CB 0.123 39.336 39.000 0.355 0.000 1.096 363 F HN 0.416 nan 8.300 nan 0.000 0.545 364 F N 9.719 129.722 119.950 0.089 0.000 2.824 364 F HA 0.346 4.873 4.527 -0.000 0.000 0.368 364 F C -2.144 173.670 175.800 0.023 0.000 1.398 364 F CA -1.792 56.282 58.000 0.123 0.000 1.142 364 F CB 0.528 39.658 39.000 0.217 0.000 1.997 364 F HN 0.224 nan 8.300 nan 0.000 0.598 365 P HA -0.109 nan 4.420 nan 0.000 0.223 365 P C 0.933 177.901 177.300 -0.554 0.000 1.151 365 P CA 1.239 63.807 63.100 -0.887 0.000 0.787 365 P CB 0.385 31.369 31.700 -1.192 0.000 0.788 366 E N 0.344 120.170 120.200 -0.624 0.000 2.118 366 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 366 E C 2.387 178.844 176.600 -0.239 0.000 0.992 366 E CA 1.538 57.663 56.400 -0.457 0.000 0.804 366 E CB -1.323 28.000 29.700 -0.629 0.000 0.741 366 E HN 0.269 nan 8.360 nan 0.000 0.458 367 G N 0.992 109.708 108.800 -0.141 0.000 2.475 367 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 367 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 367 G C 1.466 176.077 174.900 -0.481 0.000 1.125 367 G CA 0.829 45.977 45.100 0.080 0.000 0.755 367 G HN 0.193 nan 8.290 nan 0.000 0.565 368 L N -0.667 120.086 121.223 -0.782 0.000 2.109 368 L HA 0.102 4.442 4.340 -0.000 0.000 0.207 368 L C 2.431 179.165 176.870 -0.226 0.000 1.086 368 L CA 1.455 55.872 54.840 -0.704 0.000 0.760 368 L CB -0.808 41.012 42.059 -0.398 0.000 0.910 368 L HN 0.362 nan 8.230 nan 0.000 0.437 369 Y N 0.324 120.481 120.300 -0.238 0.000 2.181 369 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 369 Y C 2.382 178.235 175.900 -0.079 0.000 1.146 369 Y CA 2.091 60.106 58.100 -0.142 0.000 1.164 369 Y CB -0.429 37.937 38.460 -0.158 0.000 0.982 369 Y HN 0.479 nan 8.280 nan 0.000 0.515 370 D N -0.452 119.941 120.400 -0.012 0.000 2.104 370 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 370 D C 2.047 178.290 176.300 -0.094 0.000 0.994 370 D CA 2.061 56.041 54.000 -0.034 0.000 0.830 370 D CB -0.351 40.505 40.800 0.095 0.000 0.959 370 D HN 0.253 nan 8.370 nan 0.000 0.452 371 V N 0.221 120.085 119.914 -0.083 0.000 2.379 371 V HA -0.160 3.959 4.120 -0.000 0.000 0.245 371 V C 2.638 178.774 176.094 0.070 0.000 1.044 371 V CA 1.201 63.488 62.300 -0.023 0.000 1.036 371 V CB -0.471 31.376 31.823 0.040 0.000 0.664 371 V HN 0.318 nan 8.190 nan 0.000 0.453 372 L N 0.461 121.699 121.223 0.025 0.000 2.017 372 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 372 L C 2.803 179.706 176.870 0.055 0.000 1.073 372 L CA 2.252 57.140 54.840 0.080 0.000 0.745 372 L CB -0.986 41.069 42.059 -0.005 0.000 0.894 372 L HN 0.590 nan 8.230 nan 0.000 0.432 373 T N -3.490 110.970 114.554 -0.156 0.000 2.857 373 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 373 T C 1.869 176.571 174.700 0.004 0.000 1.048 373 T CA 0.452 62.469 62.100 -0.138 0.000 1.139 373 T CB -0.135 68.455 68.868 -0.464 0.000 0.874 373 T HN 0.159 nan 8.240 nan 0.000 0.455 374 K N 0.364 120.766 120.400 0.004 0.000 2.063 374 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 374 K C 2.103 178.789 176.600 0.144 0.000 1.048 374 K CA 1.357 57.693 56.287 0.083 0.000 0.928 374 K CB -0.551 32.037 32.500 0.147 0.000 0.713 374 K HN 0.403 nan 8.250 nan 0.000 0.442 375 Y N 0.357 120.777 120.300 0.200 0.000 2.145 375 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 375 Y C 2.286 178.201 175.900 0.026 0.000 1.145 375 Y CA 1.103 59.317 58.100 0.190 0.000 1.148 375 Y CB -0.558 37.992 38.460 0.151 0.000 0.981 375 Y HN 0.305 nan 8.280 nan 0.000 0.507 376 W N 1.182 122.500 121.300 0.030 0.000 2.355 376 W HA -0.248 4.412 4.660 -0.000 0.000 0.309 376 W C 1.273 177.497 176.519 -0.491 0.000 1.206 376 W CA 1.811 59.061 57.345 -0.159 0.000 1.284 376 W CB -0.384 29.006 29.460 -0.118 0.000 1.145 376 W HN 0.116 nan 8.180 nan 0.000 0.502 377 N N 0.576 119.042 118.700 -0.390 0.000 2.381 377 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 377 N C 1.812 176.961 175.510 -0.601 0.000 1.025 377 N CA 1.428 54.165 53.050 -0.522 0.000 0.888 377 N CB -0.614 37.758 38.487 -0.193 0.000 0.965 377 N HN 0.356 nan 8.380 nan 0.000 0.438 378 R N -0.870 119.233 120.500 -0.661 0.000 2.128 378 R HA 0.033 4.373 4.340 -0.000 0.000 0.211 378 R C 0.791 176.620 176.300 -0.784 0.000 1.067 378 R CA 0.908 56.471 56.100 -0.895 0.000 1.010 378 R CB 0.151 29.543 30.300 -1.514 0.000 0.922 378 R HN 0.142 nan 8.270 nan 0.000 0.457 379 Y N -1.702 118.396 120.300 -0.337 0.000 2.467 379 Y HA 0.255 4.805 4.550 -0.000 0.000 0.259 379 Y C -0.218 175.549 175.900 -0.223 0.000 1.084 379 Y CA -0.220 57.762 58.100 -0.197 0.000 1.275 379 Y CB 0.238 38.643 38.460 -0.092 0.000 1.208 379 Y HN 0.121 nan 8.280 nan 0.000 0.511 380 H N -0.302 118.507 119.070 -0.434 0.000 2.741 380 H HA -0.158 4.398 4.556 -0.000 0.000 0.305 380 H C -0.699 174.460 175.328 -0.281 0.000 1.169 380 H CA 0.498 56.003 56.048 -0.904 0.000 1.144 380 H CB -2.042 27.230 29.762 -0.817 0.000 1.397 380 H HN 0.192 nan 8.280 nan 0.000 0.409 381 L N 0.865 122.142 121.223 0.089 0.000 2.322 381 L HA 0.328 4.668 4.340 -0.000 0.000 0.279 381 L C 0.941 178.066 176.870 0.425 0.000 1.036 381 L CA -1.366 53.613 54.840 0.231 0.000 0.807 381 L CB 0.633 42.743 42.059 0.085 0.000 1.226 381 L HN 0.236 nan 8.230 nan 0.000 0.433 382 Y N 1.157 121.678 120.300 0.368 0.000 2.457 382 Y HA 0.547 5.097 4.550 -0.000 0.000 0.341 382 Y C -0.346 175.659 175.900 0.174 0.000 1.240 382 Y CA -0.886 57.360 58.100 0.244 0.000 1.437 382 Y CB 0.471 38.976 38.460 0.075 0.000 1.328 382 Y HN 0.429 nan 8.280 nan 0.000 0.588 383 M N 2.568 122.259 119.600 0.152 0.000 2.644 383 M HA 0.453 4.933 4.480 -0.000 0.000 0.304 383 M C -1.740 174.527 176.300 -0.055 0.000 1.215 383 M CA -0.695 54.661 55.300 0.093 0.000 0.871 383 M CB 2.345 35.005 32.600 0.101 0.000 1.740 383 M HN 0.690 nan 8.290 nan 0.000 0.464 384 Y N -0.163 120.237 120.300 0.166 0.000 2.485 384 Y HA 0.520 5.070 4.550 -0.000 0.000 0.345 384 Y C -0.368 175.606 175.900 0.123 0.000 0.998 384 Y CA -0.932 57.203 58.100 0.058 0.000 1.059 384 Y CB 1.767 40.189 38.460 -0.064 0.000 1.234 384 Y HN 0.262 nan 8.280 nan 0.000 0.461 385 V N 3.035 123.118 119.914 0.281 0.000 2.370 385 V HA 0.041 4.161 4.120 -0.000 0.000 0.257 385 V C 0.671 176.846 176.094 0.135 0.000 1.064 385 V CA 0.342 62.774 62.300 0.221 0.000 0.975 385 V CB 0.086 32.078 31.823 0.280 0.000 1.067 385 V HN 1.062 nan 8.190 nan 0.000 0.485 386 T N 1.371 116.027 114.554 0.171 0.000 3.067 386 T HA 0.220 4.570 4.350 -0.000 0.000 0.257 386 T C 0.414 175.186 174.700 0.120 0.000 1.105 386 T CA 0.214 62.402 62.100 0.147 0.000 1.104 386 T CB 0.278 69.284 68.868 0.230 0.000 0.925 386 T HN 0.659 nan 8.240 nan 0.000 0.498 387 E N 0.761 120.999 120.200 0.064 0.000 2.352 387 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 387 E C -1.426 175.056 176.600 -0.197 0.000 0.930 387 E CA -0.806 55.612 56.400 0.031 0.000 0.765 387 E CB 1.980 31.733 29.700 0.089 0.000 1.219 387 E HN 0.206 nan 8.360 nan 0.000 0.434 388 N N 1.444 119.993 118.700 -0.251 0.000 2.864 388 N HA 0.433 5.173 4.740 -0.000 0.000 0.247 388 N C -1.356 174.060 175.510 -0.157 0.000 1.071 388 N CA -0.101 52.778 53.050 -0.285 0.000 1.056 388 N CB 1.908 40.439 38.487 0.073 0.000 1.661 388 N HN 0.678 nan 8.380 nan 0.000 0.570 389 G N 1.793 110.643 108.800 0.082 0.000 2.341 389 G HA2 0.482 4.442 3.960 -0.000 0.000 0.299 389 G HA3 0.482 4.442 3.960 -0.000 0.000 0.299 389 G C -2.040 172.950 174.900 0.151 0.000 1.274 389 G CA -0.553 44.606 45.100 0.099 0.000 0.853 389 G HN 0.565 nan 8.290 nan 0.000 0.493 390 I N -0.360 120.276 120.570 0.110 0.000 2.722 390 I HA 0.646 4.816 4.170 -0.000 0.000 0.292 390 I C -0.261 175.411 176.117 -0.741 0.000 1.267 390 I CA -1.103 60.005 61.300 -0.319 0.000 1.036 390 I CB 1.993 39.643 38.000 -0.583 0.000 1.281 390 I HN 1.032 nan 8.210 nan 0.000 0.423 391 A N 4.527 126.624 122.820 -1.205 0.000 2.395 391 A HA 0.484 4.804 4.320 -0.000 0.000 0.286 391 A C -0.606 176.676 177.584 -0.503 0.000 1.193 391 A CA 0.250 51.587 52.037 -1.167 0.000 0.852 391 A CB -0.125 18.226 19.000 -1.081 0.000 1.118 391 A HN 0.606 nan 8.150 nan 0.000 0.524 392 D N 2.254 122.446 120.400 -0.346 0.000 2.634 392 D HA 0.069 4.709 4.640 -0.000 0.000 0.236 392 D C 0.195 176.391 176.300 -0.173 0.000 1.323 392 D CA -0.339 53.545 54.000 -0.193 0.000 0.884 392 D CB 0.582 41.320 40.800 -0.103 0.000 1.496 392 D HN 0.420 nan 8.370 nan 0.000 0.525 393 D N 1.764 122.056 120.400 -0.180 0.000 2.144 393 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 393 D C 1.776 177.949 176.300 -0.212 0.000 0.984 393 D CA 1.551 55.457 54.000 -0.157 0.000 0.834 393 D CB 0.310 41.033 40.800 -0.128 0.000 0.955 393 D HN 0.384 nan 8.370 nan 0.000 0.465 394 A N -0.218 122.399 122.820 -0.340 0.000 2.066 394 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 394 A C 1.127 178.406 177.584 -0.508 0.000 1.157 394 A CA 1.495 53.171 52.037 -0.601 0.000 0.670 394 A CB -0.234 17.995 19.000 -1.285 0.000 0.804 394 A HN 0.310 nan 8.150 nan 0.000 0.453 395 D N -4.708 115.519 120.400 -0.288 0.000 3.068 395 D HA -0.191 4.449 4.640 -0.000 0.000 0.218 395 D C 0.248 176.592 176.300 0.074 0.000 1.145 395 D CA 0.994 54.948 54.000 -0.076 0.000 0.896 395 D CB -1.691 39.093 40.800 -0.028 0.000 1.105 395 D HN 0.462 nan 8.370 nan 0.000 0.423 396 Y N 0.113 120.467 120.300 0.091 0.000 2.163 396 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 396 Y C 2.587 178.616 175.900 0.215 0.000 1.136 396 Y CA 1.651 59.826 58.100 0.125 0.000 1.147 396 Y CB -0.484 38.025 38.460 0.082 0.000 0.987 396 Y HN 0.318 nan 8.280 nan 0.000 0.509 397 Q N -0.925 119.098 119.800 0.371 0.000 2.373 397 Q HA 0.002 4.342 4.340 -0.000 0.000 0.210 397 Q C 2.283 178.584 176.000 0.502 0.000 0.913 397 Q CA 0.042 56.092 55.803 0.412 0.000 0.911 397 Q CB 0.067 29.006 28.738 0.335 0.000 1.040 397 Q HN 0.333 nan 8.270 nan 0.000 0.521 398 R N 1.101 121.809 120.500 0.346 0.000 2.103 398 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 398 R C -0.857 175.637 176.300 0.324 0.000 1.142 398 R CA 1.668 57.965 56.100 0.328 0.000 0.960 398 R CB -0.774 29.635 30.300 0.181 0.000 0.858 398 R HN 0.132 nan 8.270 nan 0.000 0.439 399 P HA -0.168 nan 4.420 nan 0.000 0.216 399 P C 0.500 177.839 177.300 0.064 0.000 1.153 399 P CA 1.506 64.636 63.100 0.050 0.000 0.858 399 P CB -0.123 31.510 31.700 -0.110 0.000 0.789 400 Y N -3.004 117.436 120.300 0.234 0.000 2.200 400 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 400 Y C 2.582 178.793 175.900 0.519 0.000 1.137 400 Y CA 1.157 59.425 58.100 0.280 0.000 1.163 400 Y CB -1.315 37.262 38.460 0.196 0.000 0.988 400 Y HN -0.060 nan 8.280 nan 0.000 0.518 401 Y N 0.208 120.930 120.300 0.704 0.000 2.145 401 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 401 Y C 2.360 178.567 175.900 0.512 0.000 1.145 401 Y CA 1.285 59.790 58.100 0.674 0.000 1.148 401 Y CB -0.642 38.155 38.460 0.562 0.000 0.981 401 Y HN 0.140 nan 8.280 nan 0.000 0.507 402 L N -0.517 121.047 121.223 0.568 0.000 1.970 402 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 402 L C 2.257 179.244 176.870 0.195 0.000 1.071 402 L CA 1.998 57.045 54.840 0.345 0.000 0.751 402 L CB -1.162 40.951 42.059 0.090 0.000 0.889 402 L HN 0.129 nan 8.230 nan 0.000 0.432 403 V N -0.650 119.355 119.914 0.151 0.000 2.343 403 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 403 V C 2.578 178.743 176.094 0.119 0.000 1.051 403 V CA 1.850 64.206 62.300 0.093 0.000 1.036 403 V CB -0.836 31.002 31.823 0.025 0.000 0.654 403 V HN 0.535 nan 8.190 nan 0.000 0.451 404 S N -0.813 114.979 115.700 0.154 0.000 2.370 404 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 404 S C 1.874 176.449 174.600 -0.042 0.000 1.033 404 S CA 1.866 60.106 58.200 0.066 0.000 1.011 404 S CB -0.406 62.840 63.200 0.076 0.000 0.852 404 S HN 0.730 nan 8.310 nan 0.000 0.457 405 H N 0.249 119.297 119.070 -0.037 0.000 2.395 405 H HA 0.104 4.660 4.556 -0.000 0.000 0.299 405 H C 2.076 177.428 175.328 0.039 0.000 1.070 405 H CA 1.083 57.123 56.048 -0.012 0.000 1.356 405 H CB -0.346 29.439 29.762 0.037 0.000 1.401 405 H HN 0.130 nan 8.280 nan 0.000 0.524 406 V N 0.422 120.378 119.914 0.070 0.000 2.343 406 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 406 V C 2.041 178.283 176.094 0.247 0.000 1.051 406 V CA 1.906 64.229 62.300 0.037 0.000 1.036 406 V CB -0.640 31.164 31.823 -0.030 0.000 0.654 406 V HN 0.473 nan 8.190 nan 0.000 0.451 407 Y N 1.224 121.539 120.300 0.026 0.000 2.165 407 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 407 Y C 2.653 178.497 175.900 -0.093 0.000 1.155 407 Y CA 1.854 59.875 58.100 -0.132 0.000 1.164 407 Y CB -0.275 38.010 38.460 -0.293 0.000 0.978 407 Y HN 0.236 nan 8.280 nan 0.000 0.513 408 Q N -0.209 119.463 119.800 -0.214 0.000 2.124 408 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 408 Q C 2.533 178.485 176.000 -0.080 0.000 0.977 408 Q CA 1.657 57.313 55.803 -0.245 0.000 0.850 408 Q CB -0.869 27.788 28.738 -0.135 0.000 0.901 408 Q HN 0.505 nan 8.270 nan 0.000 0.429 409 V N 0.924 120.880 119.914 0.069 0.000 2.343 409 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 409 V C 2.426 178.558 176.094 0.062 0.000 1.051 409 V CA 1.890 64.297 62.300 0.178 0.000 1.036 409 V CB -0.830 31.226 31.823 0.388 0.000 0.654 409 V HN 0.473 nan 8.190 nan 0.000 0.451 410 H N 0.489 119.473 119.070 -0.143 0.000 2.352 410 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 410 H C 2.626 177.706 175.328 -0.413 0.000 1.097 410 H CA 1.931 57.665 56.048 -0.523 0.000 1.311 410 H CB 0.068 29.411 29.762 -0.699 0.000 1.377 410 H HN 0.260 nan 8.280 nan 0.000 0.504 411 R N 0.064 120.351 120.500 -0.355 0.000 2.091 411 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 411 R C 2.493 178.789 176.300 -0.007 0.000 1.136 411 R CA 1.057 56.985 56.100 -0.288 0.000 0.959 411 R CB -0.419 29.602 30.300 -0.465 0.000 0.856 411 R HN 0.353 nan 8.270 nan 0.000 0.437 412 A N 1.108 123.966 122.820 0.063 0.000 1.877 412 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 412 A C 2.196 179.699 177.584 -0.134 0.000 1.186 412 A CA 1.208 53.249 52.037 0.006 0.000 0.620 412 A CB -0.487 18.480 19.000 -0.055 0.000 0.822 412 A HN 0.206 nan 8.150 nan 0.000 0.443 413 I N -0.019 120.431 120.570 -0.200 0.000 2.179 413 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 413 I C 2.521 178.471 176.117 -0.277 0.000 1.088 413 I CA 1.549 62.685 61.300 -0.275 0.000 1.357 413 I CB -0.498 37.307 38.000 -0.324 0.000 1.051 413 I HN 0.521 nan 8.210 nan 0.000 0.409 414 N N 0.874 119.392 118.700 -0.303 0.000 2.137 414 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 414 N C 1.816 177.262 175.510 -0.106 0.000 1.017 414 N CA 1.894 54.813 53.050 -0.218 0.000 0.859 414 N CB 0.069 38.439 38.487 -0.196 0.000 1.002 414 N HN 0.385 nan 8.380 nan 0.000 0.428 415 S N -1.430 114.237 115.700 -0.056 0.000 2.603 415 S HA 0.244 4.714 4.470 -0.000 0.000 0.220 415 S C 1.276 175.854 174.600 -0.036 0.000 0.967 415 S CA 0.769 58.973 58.200 0.007 0.000 0.920 415 S CB 0.434 63.710 63.200 0.126 0.000 0.773 415 S HN 0.526 nan 8.310 nan 0.000 0.529 416 G N 0.239 108.954 108.800 -0.141 0.000 2.255 416 G HA2 0.004 3.964 3.960 -0.000 0.000 0.196 416 G HA3 0.004 3.964 3.960 -0.000 0.000 0.196 416 G C 0.223 174.763 174.900 -0.600 0.000 0.998 416 G CA -0.256 44.729 45.100 -0.191 0.000 0.656 416 G HN 1.186 nan 8.290 nan 0.000 0.490 417 A N 0.530 122.898 122.820 -0.752 0.000 2.477 417 A HA 0.497 4.817 4.320 -0.000 0.000 0.246 417 A C 0.134 177.135 177.584 -0.973 0.000 1.078 417 A CA 0.602 51.867 52.037 -1.287 0.000 0.770 417 A CB 0.382 19.044 19.000 -0.562 0.000 1.011 417 A HN 0.290 nan 8.150 nan 0.000 0.494 418 D N 2.536 122.162 120.400 -1.289 0.000 2.453 418 D HA 0.384 5.024 4.640 -0.000 0.000 0.223 418 D C -0.809 175.365 176.300 -0.211 0.000 1.183 418 D CA 0.239 53.896 54.000 -0.572 0.000 0.933 418 D CB 0.221 40.776 40.800 -0.408 0.000 1.038 418 D HN 0.116 nan 8.370 nan 0.000 0.513 419 V N 5.292 125.133 119.914 -0.122 0.000 2.487 419 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 419 V C 1.223 177.349 176.094 0.053 0.000 1.028 419 V CA -0.696 61.609 62.300 0.009 0.000 0.860 419 V CB 1.948 33.862 31.823 0.150 0.000 0.991 419 V HN 0.408 nan 8.190 nan 0.000 0.427 420 R N 2.362 122.692 120.500 -0.284 0.000 2.404 420 R HA 0.493 4.833 4.340 -0.000 0.000 0.237 420 R C 0.627 176.417 176.300 -0.850 0.000 0.907 420 R CA 0.382 56.179 56.100 -0.506 0.000 1.063 420 R CB 1.465 31.303 30.300 -0.770 0.000 1.134 420 R HN 0.851 nan 8.270 nan 0.000 0.529 421 G N -0.142 108.146 108.800 -0.852 0.000 2.523 421 G HA2 0.278 4.238 3.960 -0.000 0.000 0.291 421 G HA3 0.278 4.238 3.960 -0.000 0.000 0.291 421 G C -2.385 172.288 174.900 -0.378 0.000 1.450 421 G CA -0.553 43.915 45.100 -1.054 0.000 0.790 421 G HN 0.061 nan 8.290 nan 0.000 0.496 422 Y N 0.489 120.574 120.300 -0.359 0.000 2.329 422 Y HA 0.715 5.265 4.550 -0.000 0.000 0.328 422 Y C -1.603 174.456 175.900 0.264 0.000 0.992 422 Y CA -1.100 57.085 58.100 0.141 0.000 1.151 422 Y CB 1.583 40.267 38.460 0.373 0.000 1.150 422 Y HN 0.404 nan 8.280 nan 0.000 0.450 423 L N 6.777 127.882 121.223 -0.198 0.000 2.316 423 L HA 0.346 4.686 4.340 -0.000 0.000 0.280 423 L C -0.456 176.327 176.870 -0.145 0.000 1.006 423 L CA -0.690 54.138 54.840 -0.019 0.000 0.836 423 L CB 0.945 43.008 42.059 0.006 0.000 1.221 423 L HN 0.693 nan 8.230 nan 0.000 0.418 424 H N 2.794 121.840 119.070 -0.039 0.000 2.732 424 H HA 0.100 4.656 4.556 -0.000 0.000 0.351 424 H C -1.060 174.404 175.328 0.226 0.000 1.090 424 H CA 0.210 56.266 56.048 0.014 0.000 1.431 424 H CB 0.757 30.560 29.762 0.068 0.000 1.447 424 H HN 0.602 nan 8.280 nan 0.000 0.582 425 W N 6.485 127.628 121.300 -0.262 0.000 2.291 425 W HA 0.425 5.085 4.660 -0.000 0.000 0.312 425 W C -1.043 175.514 176.519 0.063 0.000 1.061 425 W CA -0.312 57.030 57.345 -0.005 0.000 1.296 425 W CB 1.020 30.515 29.460 0.058 0.000 1.223 425 W HN 0.533 nan 8.180 nan 0.000 0.421 426 S N 3.841 119.477 115.700 -0.108 0.000 2.720 426 S HA 0.326 4.796 4.470 -0.000 0.000 0.287 426 S C 0.256 174.810 174.600 -0.077 0.000 1.168 426 S CA -0.631 57.362 58.200 -0.345 0.000 0.832 426 S CB 1.206 63.749 63.200 -1.096 0.000 1.166 426 S HN 0.466 nan 8.310 nan 0.000 0.493 427 L N 2.095 123.199 121.223 -0.198 0.000 2.017 427 L HA 0.440 4.780 4.340 -0.000 0.000 0.208 427 L C 0.644 177.283 176.870 -0.384 0.000 1.073 427 L CA 2.349 56.914 54.840 -0.457 0.000 0.745 427 L CB -0.782 40.567 42.059 -1.184 0.000 0.894 427 L HN 0.744 nan 8.230 nan 0.000 0.432 428 A N -1.640 120.992 122.820 -0.312 0.000 2.469 428 A HA 0.531 4.851 4.320 -0.000 0.000 0.299 428 A C -1.053 176.471 177.584 -0.100 0.000 1.098 428 A CA -0.841 51.031 52.037 -0.274 0.000 0.737 428 A CB 0.470 19.195 19.000 -0.459 0.000 1.312 428 A HN 0.158 nan 8.150 nan 0.000 0.414 429 D N 0.920 121.293 120.400 -0.045 0.000 2.443 429 D HA 0.322 4.962 4.640 -0.000 0.000 0.234 429 D C 0.083 176.521 176.300 0.230 0.000 1.172 429 D CA 1.142 55.209 54.000 0.112 0.000 0.878 429 D CB 0.393 41.255 40.800 0.103 0.000 1.204 429 D HN 0.704 nan 8.370 nan 0.000 0.453 430 N N -0.996 117.914 118.700 0.351 0.000 3.243 430 N HA 0.182 4.922 4.740 -0.000 0.000 0.280 430 N C -1.639 174.084 175.510 0.354 0.000 1.545 430 N CA -0.925 52.357 53.050 0.386 0.000 0.854 430 N CB 0.325 38.924 38.487 0.186 0.000 1.612 430 N HN 0.267 nan 8.380 nan 0.000 0.577 431 Y N 0.446 120.726 120.300 -0.033 0.000 2.486 431 Y HA 0.291 4.841 4.550 -0.000 0.000 0.348 431 Y C 0.076 175.675 175.900 -0.501 0.000 1.000 431 Y CA -0.388 57.410 58.100 -0.502 0.000 1.253 431 Y CB 0.580 38.618 38.460 -0.704 0.000 1.140 431 Y HN 0.697 nan 8.280 nan 0.000 0.526 432 E N 6.794 126.632 120.200 -0.603 0.000 2.110 432 E HA 0.173 4.523 4.350 -0.000 0.000 0.300 432 E C -0.558 175.823 176.600 -0.365 0.000 1.278 432 E CA 0.026 56.209 56.400 -0.362 0.000 1.365 432 E CB -0.585 29.112 29.700 -0.005 0.000 1.283 432 E HN 0.732 nan 8.360 nan 0.000 0.490 433 W N 0.968 122.000 121.300 -0.447 0.000 2.152 433 W HA -0.471 4.188 4.660 -0.000 0.000 0.285 433 W C 1.838 178.280 176.519 -0.128 0.000 1.275 433 W CA 0.951 58.104 57.345 -0.321 0.000 1.220 433 W CB -1.665 27.687 29.460 -0.180 0.000 0.889 433 W HN 0.332 nan 8.180 nan 0.000 0.529 434 A N -0.410 122.754 122.820 0.572 0.000 2.070 434 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 434 A C 1.764 179.467 177.584 0.198 0.000 1.159 434 A CA 2.308 54.624 52.037 0.465 0.000 0.656 434 A CB -0.961 18.405 19.000 0.611 0.000 0.800 434 A HN 0.456 nan 8.150 nan 0.000 0.453 435 S N -1.168 114.617 115.700 0.141 0.000 2.489 435 S HA 0.355 4.825 4.470 -0.000 0.000 0.228 435 S C 1.374 175.846 174.600 -0.214 0.000 0.995 435 S CA 0.774 58.965 58.200 -0.015 0.000 0.934 435 S CB -0.461 62.712 63.200 -0.045 0.000 0.771 435 S HN 1.555 nan 8.310 nan 0.000 0.522 436 G N 1.272 109.779 108.800 -0.488 0.000 2.553 436 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 436 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 436 G C 0.176 174.703 174.900 -0.621 0.000 1.277 436 G CA 0.021 44.686 45.100 -0.725 0.000 0.910 436 G HN 0.294 nan 8.290 nan 0.000 0.576 437 F N 2.076 121.925 119.950 -0.169 0.000 2.710 437 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 437 F C 2.915 178.673 175.800 -0.071 0.000 1.137 437 F CA 1.464 59.380 58.000 -0.140 0.000 1.444 437 F CB -0.006 38.799 39.000 -0.324 0.000 1.111 437 F HN 0.511 nan 8.300 nan 0.000 0.580 438 S N -0.643 115.069 115.700 0.021 0.000 2.423 438 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 438 S C 1.075 175.610 174.600 -0.109 0.000 1.014 438 S CA 0.552 58.737 58.200 -0.026 0.000 0.965 438 S CB -0.344 62.814 63.200 -0.070 0.000 0.785 438 S HN 0.057 nan 8.310 nan 0.000 0.495 439 M N 2.725 122.213 119.600 -0.186 0.000 2.135 439 M HA 0.369 4.849 4.480 -0.000 0.000 0.345 439 M C -0.283 176.005 176.300 -0.020 0.000 1.340 439 M CA 0.368 55.500 55.300 -0.280 0.000 1.162 439 M CB 0.180 32.448 32.600 -0.553 0.000 1.570 439 M HN 0.202 nan 8.290 nan 0.000 0.454 440 R N 2.356 122.799 120.500 -0.095 0.000 2.275 440 R HA 0.340 4.680 4.340 -0.000 0.000 0.326 440 R C -0.180 176.110 176.300 -0.017 0.000 0.973 440 R CA -0.157 55.968 56.100 0.043 0.000 0.854 440 R CB 0.825 31.128 30.300 0.005 0.000 1.156 440 R HN 0.515 nan 8.270 nan 0.000 0.487 441 F N 0.327 120.333 119.950 0.093 0.000 2.695 441 F HA 0.225 4.752 4.527 -0.000 0.000 0.303 441 F C 1.651 177.498 175.800 0.079 0.000 1.091 441 F CA -0.303 57.783 58.000 0.143 0.000 1.300 441 F CB 0.826 40.040 39.000 0.357 0.000 1.071 441 F HN 0.545 nan 8.300 nan 0.000 0.578 442 G N 0.343 109.236 108.800 0.156 0.000 2.442 442 G HA2 0.258 4.218 3.960 -0.000 0.000 0.249 442 G HA3 0.258 4.218 3.960 -0.000 0.000 0.249 442 G C 0.937 175.842 174.900 0.009 0.000 1.263 442 G CA -0.418 44.700 45.100 0.029 0.000 0.846 442 G HN 0.259 nan 8.290 nan 0.000 0.555 443 L N 0.955 122.159 121.223 -0.030 0.000 2.131 443 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 443 L C 0.955 177.694 176.870 -0.219 0.000 1.092 443 L CA 0.877 55.641 54.840 -0.127 0.000 0.759 443 L CB -0.406 41.539 42.059 -0.189 0.000 0.903 443 L HN 0.318 nan 8.230 nan 0.000 0.435 444 L N -0.024 121.033 121.223 -0.275 0.000 2.307 444 L HA 0.332 4.671 4.340 -0.000 0.000 0.284 444 L C 0.109 176.873 176.870 -0.176 0.000 1.023 444 L CA -0.461 54.206 54.840 -0.288 0.000 0.810 444 L CB 1.551 43.340 42.059 -0.450 0.000 1.231 444 L HN -0.072 nan 8.230 nan 0.000 0.423 445 K N 2.216 122.567 120.400 -0.081 0.000 2.218 445 K HA 0.446 4.766 4.320 -0.000 0.000 0.276 445 K C -1.087 175.466 176.600 -0.079 0.000 1.022 445 K CA -0.459 55.791 56.287 -0.061 0.000 0.946 445 K CB 1.487 33.968 32.500 -0.031 0.000 1.000 445 K HN 0.356 nan 8.250 nan 0.000 0.468 446 V N 3.948 123.734 119.914 -0.214 0.000 2.398 446 V HA 0.054 4.174 4.120 -0.000 0.000 0.286 446 V C -0.261 175.589 176.094 -0.407 0.000 1.026 446 V CA -0.797 61.270 62.300 -0.388 0.000 0.868 446 V CB 1.426 32.811 31.823 -0.729 0.000 0.982 446 V HN 0.768 nan 8.190 nan 0.000 0.443 447 D N 3.568 123.855 120.400 -0.188 0.000 2.365 447 D HA 0.151 4.791 4.640 -0.000 0.000 0.237 447 D C 0.399 176.585 176.300 -0.190 0.000 1.190 447 D CA -0.060 53.875 54.000 -0.108 0.000 0.867 447 D CB 0.845 41.699 40.800 0.090 0.000 1.050 447 D HN 0.490 nan 8.370 nan 0.000 0.491 448 Y N 2.558 122.805 120.300 -0.089 0.000 2.509 448 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 448 Y C 2.049 177.880 175.900 -0.115 0.000 1.133 448 Y CA 0.448 58.451 58.100 -0.162 0.000 1.283 448 Y CB -0.085 38.171 38.460 -0.340 0.000 1.001 448 Y HN 0.453 nan 8.280 nan 0.000 0.555 449 N N -0.720 118.011 118.700 0.051 0.000 2.188 449 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 449 N C 1.754 177.274 175.510 0.017 0.000 1.018 449 N CA 2.057 55.123 53.050 0.027 0.000 0.858 449 N CB -0.415 38.085 38.487 0.021 0.000 0.989 449 N HN 0.457 nan 8.380 nan 0.000 0.426 450 T N -2.605 111.954 114.554 0.008 0.000 2.975 450 T HA 0.202 4.552 4.350 -0.000 0.000 0.257 450 T C 0.459 175.150 174.700 -0.016 0.000 1.003 450 T CA -0.216 61.883 62.100 -0.002 0.000 0.932 450 T CB 0.552 69.419 68.868 -0.001 0.000 1.087 450 T HN -0.097 nan 8.240 nan 0.000 0.512 451 K N 0.340 120.722 120.400 -0.030 0.000 3.274 451 K HA -0.185 4.135 4.320 -0.000 0.000 0.300 451 K C 0.250 176.797 176.600 -0.088 0.000 1.230 451 K CA 0.592 56.852 56.287 -0.044 0.000 0.884 451 K CB -2.037 30.478 32.500 0.026 0.000 1.242 451 K HN 0.646 nan 8.250 nan 0.000 0.467 452 R N 1.038 121.469 120.500 -0.114 0.000 2.543 452 R HA 0.325 4.665 4.340 -0.000 0.000 0.277 452 R C 0.102 176.236 176.300 -0.275 0.000 1.074 452 R CA -0.152 55.819 56.100 -0.214 0.000 1.076 452 R CB 0.429 30.573 30.300 -0.261 0.000 0.993 452 R HN 0.134 nan 8.270 nan 0.000 0.459 453 L N 4.505 125.522 121.223 -0.345 0.000 2.322 453 L HA 0.439 4.779 4.340 -0.000 0.000 0.279 453 L C -0.992 175.674 176.870 -0.340 0.000 1.036 453 L CA -0.831 53.826 54.840 -0.306 0.000 0.807 453 L CB 1.154 43.008 42.059 -0.342 0.000 1.226 453 L HN 0.596 nan 8.230 nan 0.000 0.433 454 Y N -0.539 119.718 120.300 -0.072 0.000 2.499 454 Y HA 0.341 4.891 4.550 -0.000 0.000 0.347 454 Y C -0.841 175.104 175.900 0.076 0.000 0.987 454 Y CA -0.556 57.572 58.100 0.047 0.000 1.044 454 Y CB 1.730 40.191 38.460 0.002 0.000 1.245 454 Y HN 0.410 nan 8.280 nan 0.000 0.461 455 W N 4.229 125.569 121.300 0.066 0.000 2.416 455 W HA 0.465 5.125 4.660 -0.000 0.000 0.318 455 W C 0.225 176.760 176.519 0.026 0.000 1.150 455 W CA -0.902 56.451 57.345 0.014 0.000 1.392 455 W CB 0.250 29.709 29.460 -0.002 0.000 1.311 455 W HN 0.289 nan 8.180 nan 0.000 0.436 456 R N 4.320 124.893 120.500 0.121 0.000 2.694 456 R HA 0.010 4.350 4.340 -0.000 0.000 0.268 456 R C -1.248 175.125 176.300 0.122 0.000 1.061 456 R CA -1.030 55.117 56.100 0.079 0.000 1.133 456 R CB -0.032 30.274 30.300 0.009 0.000 1.020 456 R HN 0.178 nan 8.270 nan 0.000 0.475 457 P HA -0.165 nan 4.420 nan 0.000 0.217 457 P C 0.757 178.118 177.300 0.102 0.000 1.148 457 P CA 1.385 64.553 63.100 0.113 0.000 0.828 457 P CB 0.214 31.967 31.700 0.087 0.000 0.783 458 S N -0.567 115.174 115.700 0.068 0.000 2.400 458 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 458 S C 2.008 176.634 174.600 0.044 0.000 1.025 458 S CA 1.319 59.545 58.200 0.043 0.000 0.993 458 S CB -0.948 62.262 63.200 0.017 0.000 0.808 458 S HN 0.191 nan 8.310 nan 0.000 0.478 459 A N 1.514 124.357 122.820 0.039 0.000 1.898 459 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 459 A C 2.078 179.802 177.584 0.233 0.000 1.181 459 A CA 1.062 53.094 52.037 -0.008 0.000 0.620 459 A CB -0.659 18.148 19.000 -0.322 0.000 0.819 459 A HN 0.464 nan 8.150 nan 0.000 0.442 460 L N -0.537 120.894 121.223 0.346 0.000 2.046 460 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 460 L C 2.489 179.470 176.870 0.185 0.000 1.077 460 L CA 1.045 56.072 54.840 0.312 0.000 0.747 460 L CB -0.627 41.558 42.059 0.210 0.000 0.896 460 L HN 0.239 nan 8.230 nan 0.000 0.432 461 V N -1.212 118.784 119.914 0.138 0.000 2.358 461 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 461 V C 2.259 178.429 176.094 0.127 0.000 1.047 461 V CA 1.633 63.990 62.300 0.095 0.000 1.035 461 V CB -0.668 31.187 31.823 0.052 0.000 0.658 461 V HN 0.357 nan 8.190 nan 0.000 0.452 462 Y N 1.178 121.458 120.300 -0.034 0.000 2.242 462 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 462 Y C 2.718 178.585 175.900 -0.054 0.000 1.137 462 Y CA 1.729 59.780 58.100 -0.082 0.000 1.181 462 Y CB -0.492 37.907 38.460 -0.102 0.000 0.989 462 Y HN 0.139 nan 8.280 nan 0.000 0.527 463 R N 0.147 120.694 120.500 0.080 0.000 2.091 463 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 463 R C 2.020 178.313 176.300 -0.012 0.000 1.136 463 R CA 1.739 57.864 56.100 0.042 0.000 0.959 463 R CB -0.050 30.383 30.300 0.222 0.000 0.856 463 R HN 0.223 nan 8.270 nan 0.000 0.437 464 E N 0.660 120.870 120.200 0.017 0.000 2.051 464 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 464 E C 2.060 178.627 176.600 -0.055 0.000 0.991 464 E CA 1.383 57.783 56.400 0.000 0.000 0.799 464 E CB -0.226 29.489 29.700 0.025 0.000 0.748 464 E HN 0.476 nan 8.360 nan 0.000 0.449 465 I N 0.824 121.325 120.570 -0.115 0.000 2.179 465 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 465 I C 2.488 178.350 176.117 -0.425 0.000 1.088 465 I CA 1.181 62.321 61.300 -0.266 0.000 1.357 465 I CB -0.380 37.407 38.000 -0.355 0.000 1.051 465 I HN 0.003 nan 8.210 nan 0.000 0.409 466 A N 0.301 122.834 122.820 -0.479 0.000 1.873 466 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 466 A C 2.376 179.921 177.584 -0.065 0.000 1.186 466 A CA 2.229 54.053 52.037 -0.355 0.000 0.616 466 A CB -1.060 17.704 19.000 -0.393 0.000 0.823 466 A HN 0.357 nan 8.150 nan 0.000 0.442 467 T N 0.711 115.233 114.554 -0.053 0.000 2.788 467 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 467 T C 1.605 176.327 174.700 0.036 0.000 1.044 467 T CA 1.461 63.568 62.100 0.011 0.000 1.139 467 T CB -0.327 68.548 68.868 0.012 0.000 0.867 467 T HN 0.510 nan 8.240 nan 0.000 0.454 468 N N 0.208 118.923 118.700 0.025 0.000 2.422 468 N HA 0.084 4.824 4.740 -0.000 0.000 0.181 468 N C 1.419 177.002 175.510 0.120 0.000 1.080 468 N CA 0.670 53.756 53.050 0.060 0.000 0.893 468 N CB 0.324 38.839 38.487 0.045 0.000 0.973 468 N HN 0.503 nan 8.380 nan 0.000 0.456 469 G N 0.947 109.842 108.800 0.157 0.000 2.249 469 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.273 469 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.273 469 G C -0.045 175.109 174.900 0.423 0.000 1.036 469 G CA 0.592 45.895 45.100 0.339 0.000 0.824 469 G HN 0.681 nan 8.290 nan 0.000 0.504 470 A N -1.158 121.832 122.820 0.283 0.000 2.605 470 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 470 A C -0.289 177.415 177.584 0.201 0.000 1.062 470 A CA -0.611 51.630 52.037 0.340 0.000 0.682 470 A CB 0.837 19.959 19.000 0.204 0.000 1.278 470 A HN 0.815 nan 8.150 nan 0.000 0.410 471 I N 2.905 123.638 120.570 0.272 0.000 2.421 471 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 471 I C 1.177 177.366 176.117 0.120 0.000 1.089 471 I CA 0.107 61.518 61.300 0.185 0.000 1.354 471 I CB 0.709 38.876 38.000 0.278 0.000 1.413 471 I HN 0.760 nan 8.210 nan 0.000 0.513 472 T N 0.816 115.413 114.554 0.071 0.000 2.828 472 T HA 0.089 4.439 4.350 -0.000 0.000 0.290 472 T C 0.907 175.625 174.700 0.030 0.000 1.019 472 T CA -0.775 61.348 62.100 0.039 0.000 1.031 472 T CB 1.176 70.064 68.868 0.033 0.000 1.001 472 T HN 0.449 nan 8.240 nan 0.000 0.531 473 D N 0.862 121.262 120.400 -0.000 0.000 2.133 473 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 473 D C 2.166 178.486 176.300 0.033 0.000 0.997 473 D CA 1.485 55.481 54.000 -0.006 0.000 0.840 473 D CB -0.103 40.683 40.800 -0.023 0.000 0.947 473 D HN 0.830 nan 8.370 nan 0.000 0.452 474 E N 0.811 121.034 120.200 0.039 0.000 2.268 474 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 474 E C 2.077 178.760 176.600 0.138 0.000 0.995 474 E CA 0.548 56.983 56.400 0.057 0.000 0.836 474 E CB -0.448 29.274 29.700 0.036 0.000 0.763 474 E HN 0.549 nan 8.360 nan 0.000 0.491 475 I N -2.403 118.249 120.570 0.138 0.000 3.974 475 I HA 0.301 4.471 4.170 -0.000 0.000 0.334 475 I C 1.708 177.868 176.117 0.071 0.000 1.437 475 I CA -0.292 61.094 61.300 0.143 0.000 1.113 475 I CB 0.303 38.331 38.000 0.047 0.000 1.063 475 I HN -0.205 nan 8.210 nan 0.000 0.400 476 E N 2.066 122.351 120.200 0.141 0.000 2.268 476 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 476 E C 1.973 178.615 176.600 0.071 0.000 0.995 476 E CA 1.139 57.600 56.400 0.100 0.000 0.836 476 E CB -0.052 29.708 29.700 0.100 0.000 0.763 476 E HN 0.764 nan 8.360 nan 0.000 0.491 477 H N -0.181 118.895 119.070 0.010 0.000 2.521 477 H HA -0.084 4.472 4.556 -0.000 0.000 0.286 477 H C 1.718 177.068 175.328 0.035 0.000 1.034 477 H CA 0.634 56.693 56.048 0.019 0.000 1.278 477 H CB -0.416 29.358 29.762 0.019 0.000 1.386 477 H HN 0.258 nan 8.280 nan 0.000 0.567 478 L N 0.865 121.730 121.223 -0.596 0.000 2.610 478 L HA -0.040 4.300 4.340 -0.000 0.000 0.232 478 L C 0.940 177.769 176.870 -0.068 0.000 1.149 478 L CA 0.203 54.758 54.840 -0.476 0.000 0.872 478 L CB -0.363 41.355 42.059 -0.567 0.000 0.992 478 L HN 0.128 nan 8.230 nan 0.000 0.447 479 N N 1.127 119.795 118.700 -0.053 0.000 3.178 479 N HA 0.018 4.758 4.740 -0.000 0.000 0.300 479 N C -0.586 174.933 175.510 0.014 0.000 1.242 479 N CA -0.015 53.012 53.050 -0.038 0.000 1.192 479 N CB -0.015 38.337 38.487 -0.225 0.000 1.463 479 N HN 0.236 nan 8.380 nan 0.000 0.539 480 S N -1.366 114.438 115.700 0.172 0.000 2.615 480 S HA 0.422 4.892 4.470 -0.000 0.000 0.269 480 S C -0.828 173.851 174.600 0.133 0.000 1.161 480 S CA -1.022 57.267 58.200 0.149 0.000 0.817 480 S CB 0.635 63.916 63.200 0.134 0.000 1.131 480 S HN -0.092 nan 8.310 nan 0.000 0.467 481 V N 2.521 122.384 119.914 -0.084 0.000 2.555 481 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 481 V C -2.241 173.421 176.094 -0.720 0.000 1.044 481 V CA -1.342 60.652 62.300 -0.510 0.000 1.026 481 V CB 0.203 31.857 31.823 -0.283 0.000 0.981 481 V HN 0.745 nan 8.190 nan 0.000 0.480 482 P HA 0.120 nan 4.420 nan 0.000 0.262 482 P C -2.582 174.353 177.300 -0.608 0.000 1.182 482 P CA -0.850 61.543 63.100 -1.178 0.000 0.761 482 P CB -0.310 30.959 31.700 -0.717 0.000 0.795 483 P HA -0.067 nan 4.420 nan 0.000 0.267 483 P C 1.067 178.265 177.300 -0.170 0.000 1.209 483 P CA 0.173 63.137 63.100 -0.226 0.000 0.763 483 P CB 0.306 31.923 31.700 -0.138 0.000 0.816 484 V N 2.148 121.993 119.914 -0.115 0.000 2.951 484 V HA -0.092 4.028 4.120 -0.000 0.000 0.255 484 V C 1.987 178.065 176.094 -0.028 0.000 1.088 484 V CA 1.081 63.343 62.300 -0.063 0.000 1.109 484 V CB -0.945 30.863 31.823 -0.025 0.000 0.724 484 V HN 0.355 nan 8.190 nan 0.000 0.471 485 K N 1.544 121.926 120.400 -0.029 0.000 2.032 485 K HA -0.109 4.210 4.320 -0.000 0.000 0.209 485 K C 0.122 176.707 176.600 -0.026 0.000 1.048 485 K CA 2.299 58.577 56.287 -0.015 0.000 0.927 485 K CB -1.400 31.089 32.500 -0.017 0.000 0.712 485 K HN 0.519 nan 8.250 nan 0.000 0.441 486 P HA 0.048 nan 4.420 nan 0.000 0.236 486 P C 0.213 177.459 177.300 -0.090 0.000 1.177 486 P CA 0.429 63.486 63.100 -0.072 0.000 0.773 486 P CB 0.141 31.784 31.700 -0.096 0.000 0.878 487 L N -0.623 120.558 121.223 -0.070 0.000 2.439 487 L HA 0.332 4.672 4.340 -0.000 0.000 0.259 487 L C 1.119 177.991 176.870 0.005 0.000 1.129 487 L CA -1.202 53.607 54.840 -0.051 0.000 0.803 487 L CB 0.489 42.526 42.059 -0.037 0.000 1.161 487 L HN -0.181 nan 8.230 nan 0.000 0.462 488 R N 0.193 120.708 120.500 0.024 0.000 2.623 488 R HA 0.054 4.394 4.340 -0.000 0.000 0.271 488 R C -0.600 175.749 176.300 0.082 0.000 1.043 488 R CA 0.056 56.189 56.100 0.055 0.000 1.083 488 R CB 0.374 30.706 30.300 0.053 0.000 0.974 488 R HN 0.587 nan 8.270 nan 0.000 0.436 489 H N 0.000 119.073 119.070 0.006 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.053 56.048 0.008 0.000 1.023 489 H CB 0.000 29.763 29.762 0.001 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496