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 3i5j_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMHPRKDWYE LTRATNWTPS YVTEEQLFPE RMSGHMGIPL EKWESYDEPY DATA SEQUENCE KTSYPEYVSI QREKDAGAYS VKAALERAKI YENSDPGWIS TLKSHYGAIA DATA SEQUENCE VGEYAAVTGE GRMARFSKAP GNRNMATFGM MDELRHGQLQ LFFPHEYCKK DATA SEQUENCE DRQFDWAWRA YHSNEWAAIA AKHFFDDIIT GRDAISVAIM LTFSFETGFT DATA SEQUENCE NMQFLGLAAD AAEAGDYTFA NLISSIQTDE SRHAQQGGPA LQLLIENGKR DATA SEQUENCE EEAQKKVDMA IWRAWRLFAV LTGPVMDYYT PLEDRSQSFK EFMYEWIIGQ DATA SEQUENCE FERSLIDLGL DKPWYWDLFL KDIDELHHSY HMGVWYWRTT AWWNPAAGVT DATA SEQUENCE PEERDWLEEK YPGWNKRWGR CWDVITENVL NDRMDLVSPE TLPSVCNMSQ DATA SEQUENCE IPLVGVPGDD WNIEVFSLEH NGRLYHFGSE VDRWVFQQDP VQYQNHMNIV DATA SEQUENCE DRFLAGQIQP MTLEGALKYM GFQSIEEMGK DAHDFAWADK C VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.444 177.584 -0.233 0.000 1.274 2 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 2 A CB 0.000 18.945 19.000 -0.092 0.000 0.831 3 M N 2.456 121.931 119.600 -0.208 0.000 2.472 3 M HA 0.453 5.034 4.480 0.168 0.000 0.331 3 M C -0.567 175.582 176.300 -0.251 0.000 1.170 3 M CA -0.271 54.895 55.300 -0.222 0.000 1.009 3 M CB 1.158 33.738 32.600 -0.033 0.000 1.672 3 M HN 0.748 nan 8.290 nan 0.000 0.453 4 H N 1.788 120.967 119.070 0.183 0.000 2.467 4 H HA 0.460 5.117 4.556 0.169 0.000 0.331 4 H C -2.118 173.452 175.328 0.404 0.000 1.120 4 H CA -1.538 54.667 56.048 0.262 0.000 1.270 4 H CB 0.458 30.394 29.762 0.289 0.000 1.466 4 H HN 0.293 nan 8.280 nan 0.000 0.504 5 P HA 0.105 nan 4.420 nan 0.000 0.274 5 P C 0.986 178.271 177.300 -0.024 0.000 1.231 5 P CA -0.406 62.813 63.100 0.198 0.000 0.790 5 P CB 1.564 33.314 31.700 0.084 0.000 0.951 6 R N 2.608 122.978 120.500 -0.216 0.000 2.105 6 R HA -0.179 4.262 4.340 0.168 0.000 0.239 6 R C 2.032 177.822 176.300 -0.849 0.000 1.135 6 R CA 2.011 57.522 56.100 -0.981 0.000 0.967 6 R CB -0.247 29.735 30.300 -0.530 0.000 0.861 6 R HN 0.502 nan 8.270 nan 0.000 0.442 7 K N -0.478 119.694 120.400 -0.380 0.000 2.218 7 K HA -0.157 4.264 4.320 0.168 0.000 0.205 7 K C 0.884 177.383 176.600 -0.169 0.000 1.046 7 K CA 1.921 58.069 56.287 -0.231 0.000 0.933 7 K CB -0.081 32.342 32.500 -0.128 0.000 0.728 7 K HN 0.135 nan 8.250 nan 0.000 0.454 8 D N 0.050 120.349 120.400 -0.169 0.000 2.277 8 D HA -0.069 4.672 4.640 0.168 0.000 0.208 8 D C 1.320 177.675 176.300 0.091 0.000 0.962 8 D CA 0.892 54.891 54.000 -0.002 0.000 0.865 8 D CB 0.016 40.880 40.800 0.108 0.000 0.939 8 D HN 0.661 nan 8.370 nan 0.000 0.510 9 W N -1.372 120.001 121.300 0.121 0.000 2.555 9 W HA 0.204 4.965 4.660 0.168 0.000 0.324 9 W C 1.227 177.818 176.519 0.121 0.000 0.973 9 W CA -0.509 56.896 57.345 0.100 0.000 1.481 9 W CB -0.924 28.591 29.460 0.091 0.000 1.064 9 W HN -0.148 nan 8.180 nan 0.000 0.543 10 Y N 3.174 123.317 120.300 -0.262 0.000 2.193 10 Y HA -0.246 4.404 4.550 0.168 0.000 0.285 10 Y C 2.454 178.399 175.900 0.076 0.000 1.166 10 Y CA 2.608 60.623 58.100 -0.141 0.000 1.181 10 Y CB -0.206 38.090 38.460 -0.274 0.000 0.976 10 Y HN -0.209 nan 8.280 nan 0.000 0.520 11 E N 0.167 120.447 120.200 0.133 0.000 2.153 11 E HA -0.190 4.261 4.350 0.168 0.000 0.194 11 E C 2.271 178.903 176.600 0.055 0.000 0.988 11 E CA 1.299 57.762 56.400 0.105 0.000 0.811 11 E CB -0.440 29.328 29.700 0.113 0.000 0.746 11 E HN 0.558 nan 8.360 nan 0.000 0.466 12 L N 0.972 122.249 121.223 0.090 0.000 2.201 12 L HA -0.123 4.318 4.340 0.168 0.000 0.212 12 L C 2.661 179.558 176.870 0.045 0.000 1.105 12 L CA 1.535 56.425 54.840 0.083 0.000 0.775 12 L CB -0.855 41.273 42.059 0.115 0.000 0.913 12 L HN 0.206 nan 8.230 nan 0.000 0.440 13 T N -1.403 113.155 114.554 0.006 0.000 2.929 13 T HA -0.196 4.255 4.350 0.168 0.000 0.271 13 T C 1.597 176.259 174.700 -0.062 0.000 1.085 13 T CA 0.959 63.038 62.100 -0.035 0.000 1.125 13 T CB -0.256 68.560 68.868 -0.087 0.000 0.874 13 T HN 0.544 nan 8.240 nan 0.000 0.494 14 R N 0.614 121.071 120.500 -0.072 0.000 2.577 14 R HA 0.670 5.111 4.340 0.168 0.000 0.344 14 R C 0.769 177.102 176.300 0.055 0.000 1.037 14 R CA -0.069 56.033 56.100 0.004 0.000 1.102 14 R CB 0.120 30.442 30.300 0.036 0.000 1.313 14 R HN 0.246 nan 8.270 nan 0.000 0.561 15 A N 1.608 124.461 122.820 0.054 0.000 3.091 15 A HA 0.165 4.586 4.320 0.168 0.000 0.264 15 A C 0.762 178.404 177.584 0.098 0.000 1.673 15 A CA -0.165 51.919 52.037 0.079 0.000 1.362 15 A CB -0.406 18.636 19.000 0.070 0.000 1.137 15 A HN 0.458 nan 8.150 nan 0.000 0.617 16 T N -3.196 111.433 114.554 0.126 0.000 3.058 16 T HA 0.171 4.622 4.350 0.168 0.000 0.278 16 T C 0.238 175.138 174.700 0.334 0.000 0.974 16 T CA -0.444 61.769 62.100 0.189 0.000 0.893 16 T CB -0.275 68.684 68.868 0.152 0.000 1.138 16 T HN 0.290 nan 8.240 nan 0.000 0.529 17 N N 2.663 121.504 118.700 0.234 0.000 2.530 17 N HA 0.530 5.371 4.740 0.168 0.000 0.273 17 N C -0.709 175.000 175.510 0.333 0.000 1.173 17 N CA -0.448 52.720 53.050 0.197 0.000 0.967 17 N CB 0.512 39.032 38.487 0.055 0.000 1.109 17 N HN 0.748 nan 8.380 nan 0.000 0.453 18 W N -0.380 120.959 121.300 0.065 0.000 3.047 18 W HA 0.516 5.277 4.660 0.168 0.000 0.341 18 W C -1.137 175.418 176.519 0.060 0.000 1.225 18 W CA -0.900 56.477 57.345 0.053 0.000 1.150 18 W CB 0.238 29.726 29.460 0.046 0.000 1.470 18 W HN 0.109 nan 8.180 nan 0.000 0.578 19 T N 3.883 118.479 114.554 0.069 0.000 2.723 19 T HA 0.289 4.740 4.350 0.168 0.000 0.297 19 T C -2.241 172.458 174.700 -0.002 0.000 0.925 19 T CA -0.740 61.333 62.100 -0.045 0.000 1.030 19 T CB 0.350 69.237 68.868 0.032 0.000 0.905 19 T HN 0.094 nan 8.240 nan 0.000 0.502 20 P HA 0.284 nan 4.420 nan 0.000 0.269 20 P C 0.086 177.381 177.300 -0.008 0.000 1.209 20 P CA -0.199 62.905 63.100 0.007 0.000 0.776 20 P CB 0.776 32.432 31.700 -0.074 0.000 0.876 21 S N -0.051 115.612 115.700 -0.061 0.000 2.691 21 S HA 0.099 4.670 4.470 0.168 0.000 0.258 21 S C 0.903 175.264 174.600 -0.399 0.000 1.078 21 S CA 0.163 58.178 58.200 -0.308 0.000 1.000 21 S CB -0.306 62.556 63.200 -0.563 0.000 0.942 21 S HN 0.416 nan 8.310 nan 0.000 0.521 22 Y N 2.225 122.571 120.300 0.076 0.000 2.497 22 Y HA 0.376 5.027 4.550 0.168 0.000 0.265 22 Y C 0.927 176.848 175.900 0.036 0.000 1.111 22 Y CA -0.385 57.745 58.100 0.049 0.000 1.288 22 Y CB 0.313 38.802 38.460 0.047 0.000 1.082 22 Y HN 0.166 nan 8.280 nan 0.000 0.536 23 V N -3.031 116.968 119.914 0.142 0.000 3.074 23 V HA 0.697 4.918 4.120 0.168 0.000 0.314 23 V C 0.157 176.266 176.094 0.026 0.000 1.117 23 V CA -0.892 61.450 62.300 0.071 0.000 1.014 23 V CB 1.275 33.133 31.823 0.059 0.000 1.057 23 V HN 0.085 nan 8.190 nan 0.000 0.438 24 T N -1.752 112.808 114.554 0.011 0.000 2.828 24 T HA 0.285 4.736 4.350 0.168 0.000 0.290 24 T C 0.940 175.634 174.700 -0.010 0.000 1.019 24 T CA 0.762 62.860 62.100 -0.003 0.000 1.031 24 T CB 1.145 70.016 68.868 0.004 0.000 1.001 24 T HN 1.073 nan 8.240 nan 0.000 0.531 25 E N 0.085 120.278 120.200 -0.011 0.000 2.051 25 E HA -0.231 4.221 4.350 0.168 0.000 0.192 25 E C 1.896 178.533 176.600 0.062 0.000 0.991 25 E CA 1.403 57.810 56.400 0.012 0.000 0.799 25 E CB -0.153 29.534 29.700 -0.022 0.000 0.748 25 E HN 0.797 nan 8.360 nan 0.000 0.449 26 E N 0.732 120.957 120.200 0.042 0.000 2.110 26 E HA -0.212 4.239 4.350 0.168 0.000 0.193 26 E C 2.010 178.658 176.600 0.079 0.000 0.988 26 E CA 1.587 58.040 56.400 0.088 0.000 0.804 26 E CB -0.089 29.656 29.700 0.076 0.000 0.745 26 E HN 0.373 nan 8.360 nan 0.000 0.458 27 Q N -0.669 119.152 119.800 0.034 0.000 2.084 27 Q HA -0.119 4.322 4.340 0.168 0.000 0.202 27 Q C 2.136 178.126 176.000 -0.018 0.000 0.978 27 Q CA 1.390 57.203 55.803 0.016 0.000 0.844 27 Q CB -0.165 28.578 28.738 0.008 0.000 0.898 27 Q HN 0.293 nan 8.270 nan 0.000 0.426 28 L N -0.831 120.338 121.223 -0.089 0.000 2.156 28 L HA -0.009 4.432 4.340 0.168 0.000 0.208 28 L C 0.110 176.674 176.870 -0.511 0.000 1.095 28 L CA 1.479 56.128 54.840 -0.319 0.000 0.770 28 L CB 0.272 42.073 42.059 -0.430 0.000 0.914 28 L HN 0.018 nan 8.230 nan 0.000 0.439 29 F N 1.593 121.575 119.950 0.053 0.000 2.530 29 F HA 0.421 5.049 4.527 0.168 0.000 0.318 29 F C -2.140 173.750 175.800 0.151 0.000 1.356 29 F CA -2.840 55.237 58.000 0.128 0.000 1.135 29 F CB -0.255 38.750 39.000 0.008 0.000 1.315 29 F HN -0.031 nan 8.300 nan 0.000 0.549 30 P HA -0.048 nan 4.420 nan 0.000 0.265 30 P C 0.835 178.132 177.300 -0.006 0.000 1.193 30 P CA 0.352 63.496 63.100 0.074 0.000 0.765 30 P CB 1.299 32.976 31.700 -0.037 0.000 0.823 31 E N 4.842 125.020 120.200 -0.037 0.000 2.130 31 E HA -0.247 4.204 4.350 0.168 0.000 0.196 31 E C 1.982 178.428 176.600 -0.256 0.000 0.998 31 E CA 1.801 58.016 56.400 -0.309 0.000 0.806 31 E CB -0.411 29.114 29.700 -0.292 0.000 0.738 31 E HN 0.482 nan 8.360 nan 0.000 0.459 32 R N -0.516 119.864 120.500 -0.200 0.000 2.189 32 R HA -0.076 4.365 4.340 0.168 0.000 0.223 32 R C 1.484 177.616 176.300 -0.280 0.000 1.092 32 R CA 1.551 57.527 56.100 -0.206 0.000 0.989 32 R CB -0.143 30.056 30.300 -0.169 0.000 0.876 32 R HN 0.225 nan 8.270 nan 0.000 0.457 33 M N -0.085 119.273 119.600 -0.403 0.000 2.567 33 M HA 0.144 4.725 4.480 0.168 0.000 0.261 33 M C 1.972 178.007 176.300 -0.441 0.000 1.180 33 M CA 0.757 55.667 55.300 -0.650 0.000 1.143 33 M CB 0.269 31.966 32.600 -1.506 0.000 1.319 33 M HN 0.235 nan 8.290 nan 0.000 0.490 34 S N -0.146 115.402 115.700 -0.253 0.000 2.460 34 S HA 0.207 4.778 4.470 0.168 0.000 0.226 34 S C 1.434 175.952 174.600 -0.135 0.000 1.057 34 S CA 1.162 59.336 58.200 -0.042 0.000 0.948 34 S CB -0.153 63.174 63.200 0.211 0.000 0.822 34 S HN 0.613 nan 8.310 nan 0.000 0.512 35 G N 1.690 110.341 108.800 -0.248 0.000 2.221 35 G HA2 -0.285 3.776 3.960 0.168 0.000 0.265 35 G HA3 -0.285 3.776 3.960 0.168 0.000 0.265 35 G C 0.198 175.014 174.900 -0.140 0.000 1.041 35 G CA 0.901 45.871 45.100 -0.217 0.000 0.807 35 G HN 0.932 nan 8.290 nan 0.000 0.502 36 H N -2.312 116.755 119.070 -0.006 0.000 2.561 36 H HA 0.368 5.025 4.556 0.168 0.000 0.278 36 H C 1.968 177.465 175.328 0.281 0.000 1.014 36 H CA 0.690 56.819 56.048 0.136 0.000 1.211 36 H CB -0.159 29.589 29.762 -0.023 0.000 1.365 36 H HN 0.605 nan 8.280 nan 0.000 0.594 37 M N 0.082 119.723 119.600 0.068 0.000 2.436 37 M HA -0.253 4.328 4.480 0.168 0.000 0.197 37 M C 1.319 177.761 176.300 0.236 0.000 0.442 37 M CA 0.986 56.355 55.300 0.114 0.000 0.473 37 M CB -1.641 31.028 32.600 0.115 0.000 1.685 37 M HN 0.867 nan 8.290 nan 0.000 0.835 38 G N -0.212 108.881 108.800 0.489 0.000 2.179 38 G HA2 -0.281 3.780 3.960 0.168 0.000 0.260 38 G HA3 -0.281 3.780 3.960 0.168 0.000 0.260 38 G C 0.053 175.091 174.900 0.230 0.000 0.977 38 G CA 0.234 45.533 45.100 0.331 0.000 0.641 38 G HN 0.620 nan 8.290 nan 0.000 0.533 39 I N 3.321 124.078 120.570 0.312 0.000 2.517 39 I HA 0.234 4.505 4.170 0.168 0.000 0.285 39 I C -1.425 174.848 176.117 0.261 0.000 1.106 39 I CA -1.844 59.568 61.300 0.187 0.000 1.402 39 I CB 0.773 38.787 38.000 0.024 0.000 1.399 39 I HN -0.059 nan 8.210 nan 0.000 0.535 40 P HA 0.076 nan 4.420 nan 0.000 0.274 40 P C 0.994 178.386 177.300 0.154 0.000 1.231 40 P CA -0.329 62.803 63.100 0.053 0.000 0.790 40 P CB 1.038 32.739 31.700 0.000 0.000 0.951 41 L N 0.924 122.188 121.223 0.069 0.000 2.064 41 L HA -0.266 4.175 4.340 0.168 0.000 0.216 41 L C 2.441 179.387 176.870 0.127 0.000 1.077 41 L CA 2.110 56.991 54.840 0.068 0.000 0.766 41 L CB -0.472 41.533 42.059 -0.090 0.000 0.890 41 L HN 0.529 nan 8.230 nan 0.000 0.435 42 E N -0.212 120.018 120.200 0.049 0.000 2.204 42 E HA -0.204 4.247 4.350 0.168 0.000 0.194 42 E C 2.038 178.644 176.600 0.009 0.000 0.989 42 E CA 0.877 57.293 56.400 0.028 0.000 0.824 42 E CB 0.213 29.916 29.700 0.005 0.000 0.756 42 E HN 0.224 nan 8.360 nan 0.000 0.477 43 K N -0.317 120.050 120.400 -0.054 0.000 2.211 43 K HA -0.132 4.289 4.320 0.168 0.000 0.203 43 K C 1.461 177.931 176.600 -0.217 0.000 1.050 43 K CA 0.932 57.107 56.287 -0.187 0.000 0.945 43 K CB -0.257 32.044 32.500 -0.332 0.000 0.732 43 K HN 0.375 nan 8.250 nan 0.000 0.451 44 W N 1.656 122.930 121.300 -0.043 0.000 2.678 44 W HA 0.007 4.767 4.660 0.168 0.000 0.256 44 W C 1.706 178.233 176.519 0.014 0.000 1.280 44 W CA 0.157 57.485 57.345 -0.029 0.000 1.345 44 W CB -0.027 29.360 29.460 -0.123 0.000 1.118 44 W HN 0.170 nan 8.180 nan 0.000 0.629 45 E N 0.133 120.447 120.200 0.190 0.000 2.338 45 E HA -0.170 4.281 4.350 0.168 0.000 0.197 45 E C 2.187 178.874 176.600 0.146 0.000 1.007 45 E CA 1.447 57.936 56.400 0.149 0.000 0.849 45 E CB -0.179 29.579 29.700 0.098 0.000 0.774 45 E HN 0.180 nan 8.360 nan 0.000 0.506 46 S N -0.170 115.596 115.700 0.109 0.000 2.522 46 S HA -0.142 4.429 4.470 0.168 0.000 0.227 46 S C 0.637 175.325 174.600 0.147 0.000 0.986 46 S CA -0.309 57.944 58.200 0.089 0.000 0.929 46 S CB -0.444 62.767 63.200 0.018 0.000 0.769 46 S HN 0.310 nan 8.310 nan 0.000 0.529 47 Y N 2.877 123.224 120.300 0.079 0.000 2.881 47 Y HA 0.131 4.782 4.550 0.168 0.000 0.335 47 Y C -0.204 175.764 175.900 0.113 0.000 1.263 47 Y CA 0.611 58.779 58.100 0.113 0.000 1.572 47 Y CB 0.205 38.778 38.460 0.189 0.000 1.237 47 Y HN 0.178 nan 8.280 nan 0.000 0.568 48 D N 6.305 126.618 120.400 -0.145 0.000 2.346 48 D HA 0.056 4.797 4.640 0.168 0.000 0.255 48 D C -1.157 175.060 176.300 -0.139 0.000 1.276 48 D CA -0.647 53.341 54.000 -0.020 0.000 0.941 48 D CB 0.379 41.174 40.800 -0.008 0.000 1.199 48 D HN 0.609 nan 8.370 nan 0.000 0.537 49 E N 3.728 123.934 120.200 0.010 0.000 2.480 49 E HA 0.012 4.463 4.350 0.168 0.000 0.258 49 E C -1.879 174.754 176.600 0.054 0.000 0.984 49 E CA -0.868 55.571 56.400 0.065 0.000 0.930 49 E CB 1.144 31.028 29.700 0.307 0.000 0.936 49 E HN 0.264 nan 8.360 nan 0.000 0.466 50 P HA -0.044 nan 4.420 nan 0.000 0.235 50 P C -0.103 177.239 177.300 0.071 0.000 1.177 50 P CA 0.679 63.795 63.100 0.027 0.000 0.785 50 P CB 0.090 31.801 31.700 0.019 0.000 0.885 51 Y N 1.321 121.627 120.300 0.011 0.000 2.842 51 Y HA 0.313 4.963 4.550 0.167 0.000 0.334 51 Y C 0.216 176.128 175.900 0.019 0.000 1.019 51 Y CA -1.011 57.094 58.100 0.009 0.000 1.258 51 Y CB 0.536 39.017 38.460 0.036 0.000 1.106 51 Y HN -0.266 nan 8.280 nan 0.000 0.545 52 K N 2.382 122.905 120.400 0.205 0.000 2.126 52 K HA 0.458 4.879 4.320 0.168 0.000 0.257 52 K C -0.184 176.500 176.600 0.140 0.000 1.007 52 K CA -0.338 56.006 56.287 0.096 0.000 0.928 52 K CB 1.679 34.003 32.500 -0.292 0.000 1.013 52 K HN 0.452 nan 8.250 nan 0.000 0.473 53 T N -0.655 113.970 114.554 0.119 0.000 2.762 53 T HA 0.469 4.920 4.350 0.168 0.000 0.301 53 T C -1.610 173.162 174.700 0.121 0.000 1.299 53 T CA -0.681 61.423 62.100 0.006 0.000 1.005 53 T CB 1.331 70.067 68.868 -0.220 0.000 1.377 53 T HN 0.701 nan 8.240 nan 0.000 0.504 54 S N 0.485 116.260 115.700 0.126 0.000 2.627 54 S HA 0.473 5.044 4.470 0.168 0.000 0.283 54 S C 0.312 175.142 174.600 0.383 0.000 1.127 54 S CA -0.679 57.773 58.200 0.419 0.000 0.863 54 S CB 1.136 64.730 63.200 0.658 0.000 1.121 54 S HN 0.788 nan 8.310 nan 0.000 0.479 55 Y N 2.171 122.759 120.300 0.481 0.000 2.181 55 Y HA 0.105 4.757 4.550 0.170 0.000 0.288 55 Y C -1.222 174.865 175.900 0.312 0.000 1.146 55 Y CA 2.061 60.439 58.100 0.463 0.000 1.164 55 Y CB -1.324 37.338 38.460 0.337 0.000 0.982 55 Y HN 0.536 nan 8.280 nan 0.000 0.515 56 P HA -0.125 nan 4.420 nan 0.000 0.219 56 P C 0.957 178.330 177.300 0.122 0.000 1.150 56 P CA 1.995 65.233 63.100 0.231 0.000 0.814 56 P CB -0.009 31.823 31.700 0.220 0.000 0.787 57 E N -1.613 118.677 120.200 0.149 0.000 2.106 57 E HA -0.205 4.246 4.350 0.168 0.000 0.192 57 E C 1.988 178.591 176.600 0.006 0.000 0.984 57 E CA 0.769 57.217 56.400 0.080 0.000 0.806 57 E CB -0.648 29.111 29.700 0.098 0.000 0.750 57 E HN 0.244 nan 8.360 nan 0.000 0.458 58 Y N 1.632 121.838 120.300 -0.156 0.000 2.070 58 Y HA -0.293 4.360 4.550 0.171 0.000 0.280 58 Y C 2.364 178.167 175.900 -0.161 0.000 1.148 58 Y CA 1.900 59.864 58.100 -0.227 0.000 1.125 58 Y CB -0.450 37.803 38.460 -0.344 0.000 0.975 58 Y HN -0.019 nan 8.280 nan 0.000 0.492 59 V N -2.336 117.521 119.914 -0.096 0.000 2.407 59 V HA -0.209 4.012 4.120 0.168 0.000 0.248 59 V C 2.327 178.345 176.094 -0.126 0.000 1.055 59 V CA 2.143 64.358 62.300 -0.142 0.000 1.049 59 V CB -1.430 30.297 31.823 -0.160 0.000 0.662 59 V HN 0.461 nan 8.190 nan 0.000 0.455 60 S N 0.182 115.832 115.700 -0.084 0.000 2.356 60 S HA -0.100 4.471 4.470 0.168 0.000 0.223 60 S C 1.956 176.507 174.600 -0.082 0.000 1.032 60 S CA 1.854 60.022 58.200 -0.053 0.000 1.005 60 S CB -0.374 62.819 63.200 -0.012 0.000 0.867 60 S HN 0.529 nan 8.310 nan 0.000 0.449 61 I N 1.670 122.165 120.570 -0.124 0.000 2.286 61 I HA -0.041 4.230 4.170 0.168 0.000 0.245 61 I C 2.550 178.563 176.117 -0.173 0.000 1.104 61 I CA 1.073 62.297 61.300 -0.126 0.000 1.397 61 I CB -1.456 36.469 38.000 -0.125 0.000 1.072 61 I HN 0.391 nan 8.210 nan 0.000 0.417 62 Q N 0.309 119.921 119.800 -0.313 0.000 2.167 62 Q HA -0.185 4.256 4.340 0.168 0.000 0.202 62 Q C 2.212 178.132 176.000 -0.133 0.000 0.970 62 Q CA 0.990 56.615 55.803 -0.297 0.000 0.855 62 Q CB -0.585 27.828 28.738 -0.542 0.000 0.911 62 Q HN 0.504 nan 8.270 nan 0.000 0.438 63 R N 1.151 121.587 120.500 -0.107 0.000 2.083 63 R HA -0.199 4.242 4.340 0.168 0.000 0.237 63 R C 2.025 178.320 176.300 -0.009 0.000 1.137 63 R CA 1.843 57.920 56.100 -0.038 0.000 0.951 63 R CB -0.097 30.184 30.300 -0.031 0.000 0.851 63 R HN 0.316 nan 8.270 nan 0.000 0.434 64 E N 0.341 120.527 120.200 -0.023 0.000 2.072 64 E HA -0.190 4.261 4.350 0.168 0.000 0.191 64 E C 1.765 178.372 176.600 0.011 0.000 0.985 64 E CA 1.321 57.720 56.400 -0.002 0.000 0.801 64 E CB 0.146 29.839 29.700 -0.011 0.000 0.750 64 E HN 0.337 nan 8.360 nan 0.000 0.452 65 K N 0.332 120.726 120.400 -0.010 0.000 2.032 65 K HA -0.170 4.251 4.320 0.168 0.000 0.209 65 K C 1.898 178.523 176.600 0.041 0.000 1.048 65 K CA 1.607 57.895 56.287 0.003 0.000 0.927 65 K CB -0.102 32.383 32.500 -0.024 0.000 0.712 65 K HN 0.139 nan 8.250 nan 0.000 0.441 66 D N 0.373 120.818 120.400 0.076 0.000 2.144 66 D HA -0.063 4.678 4.640 0.168 0.000 0.200 66 D C 1.816 178.281 176.300 0.273 0.000 0.978 66 D CA 1.064 55.181 54.000 0.195 0.000 0.833 66 D CB -0.168 40.798 40.800 0.276 0.000 0.961 66 D HN 0.183 nan 8.370 nan 0.000 0.470 67 A N 0.645 123.562 122.820 0.162 0.000 1.892 67 A HA -0.117 4.304 4.320 0.168 0.000 0.218 67 A C 2.368 180.041 177.584 0.149 0.000 1.188 67 A CA 2.362 54.484 52.037 0.143 0.000 0.631 67 A CB -1.194 17.849 19.000 0.071 0.000 0.822 67 A HN 0.321 nan 8.150 nan 0.000 0.447 68 G N -0.865 107.999 108.800 0.107 0.000 2.402 68 G HA2 0.035 4.096 3.960 0.168 0.000 0.216 68 G HA3 0.035 4.096 3.960 0.168 0.000 0.216 68 G C 1.773 176.742 174.900 0.115 0.000 1.162 68 G CA 1.514 46.670 45.100 0.094 0.000 0.777 68 G HN 0.838 nan 8.290 nan 0.000 0.539 69 A N 0.261 123.137 122.820 0.093 0.000 1.883 69 A HA -0.023 4.398 4.320 0.168 0.000 0.217 69 A C 2.251 179.935 177.584 0.167 0.000 1.186 69 A CA 1.663 53.748 52.037 0.079 0.000 0.624 69 A CB -0.707 18.231 19.000 -0.104 0.000 0.822 69 A HN 0.407 nan 8.150 nan 0.000 0.444 70 Y N 0.472 120.918 120.300 0.243 0.000 2.242 70 Y HA -0.116 4.536 4.550 0.170 0.000 0.291 70 Y C 3.045 179.008 175.900 0.106 0.000 1.137 70 Y CA 1.304 59.504 58.100 0.167 0.000 1.181 70 Y CB -0.490 37.999 38.460 0.049 0.000 0.989 70 Y HN 0.255 nan 8.280 nan 0.000 0.527 71 S N -0.449 115.389 115.700 0.230 0.000 2.356 71 S HA -0.173 4.398 4.470 0.168 0.000 0.223 71 S C 2.252 176.932 174.600 0.133 0.000 1.032 71 S CA 1.465 59.755 58.200 0.150 0.000 1.005 71 S CB -0.673 62.594 63.200 0.112 0.000 0.867 71 S HN 0.215 nan 8.310 nan 0.000 0.449 72 V N 2.073 122.075 119.914 0.147 0.000 2.343 72 V HA -0.196 4.025 4.120 0.168 0.000 0.247 72 V C 2.400 178.590 176.094 0.160 0.000 1.051 72 V CA 1.861 64.251 62.300 0.151 0.000 1.036 72 V CB -0.571 31.354 31.823 0.171 0.000 0.654 72 V HN 0.453 nan 8.190 nan 0.000 0.451 73 K N 0.394 120.893 120.400 0.164 0.000 2.044 73 K HA -0.244 4.177 4.320 0.168 0.000 0.210 73 K C 2.184 178.812 176.600 0.047 0.000 1.049 73 K CA 1.889 58.213 56.287 0.060 0.000 0.927 73 K CB -0.393 31.978 32.500 -0.215 0.000 0.713 73 K HN 0.419 nan 8.250 nan 0.000 0.443 74 A N 0.894 123.758 122.820 0.074 0.000 1.902 74 A HA -0.093 4.328 4.320 0.168 0.000 0.217 74 A C 2.318 179.941 177.584 0.064 0.000 1.181 74 A CA 1.919 53.996 52.037 0.066 0.000 0.623 74 A CB -0.813 18.237 19.000 0.083 0.000 0.818 74 A HN 0.521 nan 8.150 nan 0.000 0.443 75 A N -0.822 122.045 122.820 0.079 0.000 2.015 75 A HA 0.140 4.561 4.320 0.168 0.000 0.219 75 A C 1.780 179.413 177.584 0.081 0.000 1.163 75 A CA 1.261 53.342 52.037 0.073 0.000 0.646 75 A CB -0.370 18.673 19.000 0.072 0.000 0.806 75 A HN 0.464 nan 8.150 nan 0.000 0.448 76 L N -0.660 120.623 121.223 0.101 0.000 2.728 76 L HA 0.122 4.563 4.340 0.168 0.000 0.238 76 L C 1.412 178.352 176.870 0.116 0.000 1.143 76 L CA -0.184 54.729 54.840 0.122 0.000 0.937 76 L CB -0.019 42.143 42.059 0.172 0.000 1.225 76 L HN 0.227 nan 8.230 nan 0.000 0.507 77 E N 1.144 121.393 120.200 0.082 0.000 2.171 77 E HA -0.174 4.277 4.350 0.168 0.000 0.197 77 E C 1.420 178.074 176.600 0.090 0.000 0.997 77 E CA 0.999 57.439 56.400 0.068 0.000 0.810 77 E CB 0.045 29.758 29.700 0.021 0.000 0.738 77 E HN 0.419 nan 8.360 nan 0.000 0.467 78 R N -0.218 120.332 120.500 0.082 0.000 2.334 78 R HA 0.240 4.682 4.340 0.168 0.000 0.216 78 R C 1.633 177.989 176.300 0.093 0.000 0.905 78 R CA 0.433 56.582 56.100 0.081 0.000 1.064 78 R CB -0.143 30.193 30.300 0.060 0.000 1.046 78 R HN 0.027 nan 8.270 nan 0.000 0.508 79 A N 1.854 124.740 122.820 0.111 0.000 2.225 79 A HA -0.112 4.309 4.320 0.168 0.000 0.215 79 A C 0.649 178.300 177.584 0.112 0.000 1.164 79 A CA 0.616 52.721 52.037 0.113 0.000 0.710 79 A CB -0.255 18.826 19.000 0.135 0.000 0.780 79 A HN 0.342 nan 8.150 nan 0.000 0.473 80 K N -2.048 118.427 120.400 0.126 0.000 3.160 80 K HA -0.202 4.219 4.320 0.168 0.000 0.280 80 K C 0.581 177.253 176.600 0.119 0.000 1.154 80 K CA 0.697 57.059 56.287 0.124 0.000 0.822 80 K CB -1.824 30.731 32.500 0.091 0.000 1.239 80 K HN 0.432 nan 8.250 nan 0.000 0.489 81 I N 0.336 120.992 120.570 0.144 0.000 2.068 81 I HA -0.325 3.946 4.170 0.168 0.000 0.238 81 I C 2.309 178.479 176.117 0.089 0.000 1.046 81 I CA 2.020 63.400 61.300 0.132 0.000 1.306 81 I CB -1.311 36.810 38.000 0.200 0.000 1.023 81 I HN 0.342 nan 8.210 nan 0.000 0.399 82 Y N 1.709 121.969 120.300 -0.066 0.000 2.139 82 Y HA -0.307 4.340 4.550 0.162 0.000 0.282 82 Y C 2.479 178.357 175.900 -0.036 0.000 1.179 82 Y CA 2.327 60.331 58.100 -0.161 0.000 1.161 82 Y CB -0.127 38.124 38.460 -0.349 0.000 0.970 82 Y HN 0.270 nan 8.280 nan 0.000 0.511 83 E N -0.581 119.650 120.200 0.051 0.000 2.170 83 E HA -0.078 4.373 4.350 0.168 0.000 0.191 83 E C 1.696 178.274 176.600 -0.038 0.000 0.981 83 E CA 1.071 57.467 56.400 -0.006 0.000 0.830 83 E CB -0.097 29.658 29.700 0.091 0.000 0.775 83 E HN 0.383 nan 8.360 nan 0.000 0.470 84 N N -0.337 118.361 118.700 -0.003 0.000 2.388 84 N HA 0.103 4.944 4.740 0.168 0.000 0.176 84 N C -0.082 175.424 175.510 -0.006 0.000 1.062 84 N CA 0.178 53.230 53.050 0.004 0.000 0.895 84 N CB 0.356 38.858 38.487 0.025 0.000 1.018 84 N HN -0.086 nan 8.380 nan 0.000 0.456 85 S N 0.874 116.571 115.700 -0.005 0.000 2.584 85 S HA -0.029 4.542 4.470 0.168 0.000 0.270 85 S C 0.144 174.752 174.600 0.014 0.000 1.346 85 S CA -0.432 57.783 58.200 0.025 0.000 1.018 85 S CB 0.901 64.181 63.200 0.134 0.000 0.899 85 S HN 0.213 nan 8.310 nan 0.000 0.542 86 D N 1.775 122.211 120.400 0.061 0.000 2.455 86 D HA 0.024 4.765 4.640 0.168 0.000 0.241 86 D C -1.422 174.888 176.300 0.015 0.000 1.138 86 D CA -1.493 52.551 54.000 0.073 0.000 0.877 86 D CB 0.979 41.862 40.800 0.139 0.000 1.187 86 D HN 0.135 nan 8.370 nan 0.000 0.451 87 P HA -0.081 nan 4.420 nan 0.000 0.220 87 P C 1.283 178.447 177.300 -0.227 0.000 1.148 87 P CA 0.799 63.751 63.100 -0.247 0.000 0.803 87 P CB 0.043 31.493 31.700 -0.417 0.000 0.782 88 G N -0.847 107.862 108.800 -0.152 0.000 2.432 88 G HA2 -0.240 3.821 3.960 0.168 0.000 0.219 88 G HA3 -0.240 3.821 3.960 0.168 0.000 0.219 88 G C 1.542 176.445 174.900 0.004 0.000 1.135 88 G CA 0.147 45.218 45.100 -0.049 0.000 0.767 88 G HN 0.278 nan 8.290 nan 0.000 0.550 89 W N 1.022 122.283 121.300 -0.065 0.000 2.379 89 W HA -0.109 4.656 4.660 0.175 0.000 0.307 89 W C 2.023 178.478 176.519 -0.106 0.000 1.200 89 W CA 0.720 58.019 57.345 -0.076 0.000 1.297 89 W CB -0.107 29.306 29.460 -0.078 0.000 1.140 89 W HN 0.080 nan 8.180 nan 0.000 0.507 90 I N 1.295 121.744 120.570 -0.201 0.000 2.208 90 I HA -0.299 3.973 4.170 0.168 0.000 0.245 90 I C 2.464 178.414 176.117 -0.277 0.000 1.097 90 I CA 1.573 62.743 61.300 -0.218 0.000 1.363 90 I CB -1.728 36.183 38.000 -0.148 0.000 1.051 90 I HN -0.091 nan 8.210 nan 0.000 0.413 91 S N 0.356 115.892 115.700 -0.274 0.000 2.383 91 S HA -0.164 4.407 4.470 0.168 0.000 0.229 91 S C 2.036 176.422 174.600 -0.355 0.000 1.030 91 S CA 1.812 59.858 58.200 -0.258 0.000 1.002 91 S CB -0.358 62.672 63.200 -0.283 0.000 0.829 91 S HN 0.512 nan 8.310 nan 0.000 0.467 92 T N 2.911 117.195 114.554 -0.450 0.000 2.746 92 T HA 0.013 4.464 4.350 0.168 0.000 0.267 92 T C 1.735 176.024 174.700 -0.685 0.000 1.039 92 T CA 0.973 62.739 62.100 -0.556 0.000 1.142 92 T CB -0.434 67.947 68.868 -0.812 0.000 0.866 92 T HN 0.273 nan 8.240 nan 0.000 0.444 93 L N 0.412 121.145 121.223 -0.816 0.000 2.012 93 L HA -0.162 4.279 4.340 0.168 0.000 0.210 93 L C 2.645 179.450 176.870 -0.108 0.000 1.073 93 L CA 1.595 56.086 54.840 -0.583 0.000 0.748 93 L CB -0.500 41.425 42.059 -0.222 0.000 0.891 93 L HN 0.235 nan 8.230 nan 0.000 0.431 94 K N -0.570 119.748 120.400 -0.138 0.000 2.057 94 K HA -0.159 4.262 4.320 0.168 0.000 0.207 94 K C 2.422 179.136 176.600 0.190 0.000 1.049 94 K CA 1.560 57.823 56.287 -0.041 0.000 0.931 94 K CB -0.284 32.091 32.500 -0.209 0.000 0.714 94 K HN 0.118 nan 8.250 nan 0.000 0.440 95 S N 0.409 115.962 115.700 -0.245 0.000 2.368 95 S HA -0.245 4.326 4.470 0.168 0.000 0.225 95 S C 2.014 176.480 174.600 -0.223 0.000 1.030 95 S CA 1.664 59.475 58.200 -0.649 0.000 0.999 95 S CB -0.286 62.135 63.200 -1.298 0.000 0.844 95 S HN 0.463 nan 8.310 nan 0.000 0.459 96 H N -0.655 118.241 119.070 -0.290 0.000 2.270 96 H HA -0.080 4.580 4.556 0.174 0.000 0.299 96 H C 1.848 177.187 175.328 0.019 0.000 1.077 96 H CA 2.446 58.360 56.048 -0.223 0.000 1.294 96 H CB -0.631 28.927 29.762 -0.339 0.000 1.371 96 H HN 0.505 nan 8.280 nan 0.000 0.491 97 Y N 0.105 120.569 120.300 0.274 0.000 2.181 97 Y HA -0.077 4.570 4.550 0.161 0.000 0.288 97 Y C 2.892 178.918 175.900 0.210 0.000 1.146 97 Y CA 1.341 59.612 58.100 0.284 0.000 1.164 97 Y CB -0.932 37.787 38.460 0.432 0.000 0.982 97 Y HN 0.421 nan 8.280 nan 0.000 0.515 98 G N -0.598 108.469 108.800 0.445 0.000 2.421 98 G HA2 -0.220 3.841 3.960 0.168 0.000 0.216 98 G HA3 -0.220 3.841 3.960 0.168 0.000 0.216 98 G C 1.846 176.948 174.900 0.337 0.000 1.171 98 G CA 1.015 46.255 45.100 0.233 0.000 0.775 98 G HN 0.467 nan 8.290 nan 0.000 0.543 99 A N -0.397 122.704 122.820 0.468 0.000 2.167 99 A HA 0.327 4.748 4.320 0.168 0.000 0.214 99 A C 2.048 179.878 177.584 0.411 0.000 1.151 99 A CA 0.833 53.125 52.037 0.425 0.000 0.735 99 A CB -0.013 19.100 19.000 0.188 0.000 0.802 99 A HN 0.320 nan 8.150 nan 0.000 0.467 100 I N -1.925 118.757 120.570 0.187 0.000 3.812 100 I HA 0.124 4.395 4.170 0.168 0.000 0.292 100 I C 2.637 178.788 176.117 0.056 0.000 1.206 100 I CA 1.036 62.399 61.300 0.105 0.000 1.370 100 I CB -1.308 36.586 38.000 -0.177 0.000 1.328 100 I HN 0.246 nan 8.210 nan 0.000 0.453 101 A N 1.332 124.212 122.820 0.100 0.000 1.873 101 A HA -0.167 4.254 4.320 0.168 0.000 0.218 101 A C 2.333 179.881 177.584 -0.060 0.000 1.193 101 A CA 2.320 54.426 52.037 0.114 0.000 0.629 101 A CB -0.961 18.163 19.000 0.208 0.000 0.826 101 A HN 0.206 nan 8.150 nan 0.000 0.447 102 V N -0.242 119.481 119.914 -0.318 0.000 3.041 102 V HA -0.035 4.186 4.120 0.168 0.000 0.260 102 V C 2.622 178.274 176.094 -0.735 0.000 1.105 102 V CA 1.285 63.289 62.300 -0.493 0.000 1.125 102 V CB -0.920 30.544 31.823 -0.598 0.000 0.730 102 V HN 0.639 nan 8.190 nan 0.000 0.479 103 G N -0.153 108.064 108.800 -0.971 0.000 2.408 103 G HA2 -0.175 3.886 3.960 0.168 0.000 0.217 103 G HA3 -0.175 3.886 3.960 0.168 0.000 0.217 103 G C 1.444 176.084 174.900 -0.434 0.000 1.150 103 G CA 0.487 45.189 45.100 -0.663 0.000 0.776 103 G HN 0.484 nan 8.290 nan 0.000 0.542 104 E N -0.009 120.073 120.200 -0.197 0.000 2.058 104 E HA -0.184 4.267 4.350 0.168 0.000 0.194 104 E C 2.107 178.685 176.600 -0.036 0.000 0.997 104 E CA 1.029 57.412 56.400 -0.028 0.000 0.801 104 E CB -0.429 29.357 29.700 0.143 0.000 0.746 104 E HN 0.555 nan 8.360 nan 0.000 0.450 105 Y N 1.465 121.693 120.300 -0.119 0.000 2.224 105 Y HA -0.187 4.463 4.550 0.168 0.000 0.289 105 Y C 2.316 178.149 175.900 -0.112 0.000 1.146 105 Y CA 1.319 59.364 58.100 -0.091 0.000 1.182 105 Y CB -0.360 38.058 38.460 -0.070 0.000 0.983 105 Y HN 0.019 nan 8.280 nan 0.000 0.524 106 A N 0.294 123.010 122.820 -0.174 0.000 1.940 106 A HA -0.145 4.276 4.320 0.168 0.000 0.219 106 A C 2.400 179.857 177.584 -0.212 0.000 1.176 106 A CA 1.760 53.684 52.037 -0.189 0.000 0.631 106 A CB -1.405 17.527 19.000 -0.115 0.000 0.814 106 A HN 0.566 nan 8.150 nan 0.000 0.446 107 A N -0.511 122.182 122.820 -0.213 0.000 2.019 107 A HA 0.056 4.477 4.320 0.168 0.000 0.219 107 A C 2.119 179.589 177.584 -0.191 0.000 1.164 107 A CA 1.479 53.420 52.037 -0.160 0.000 0.644 107 A CB -0.832 18.107 19.000 -0.102 0.000 0.805 107 A HN 0.391 nan 8.150 nan 0.000 0.449 108 V N -0.263 119.484 119.914 -0.278 0.000 2.317 108 V HA -0.297 3.924 4.120 0.168 0.000 0.251 108 V C 2.702 178.659 176.094 -0.228 0.000 1.065 108 V CA 2.615 64.737 62.300 -0.296 0.000 1.049 108 V CB -1.275 30.275 31.823 -0.455 0.000 0.651 108 V HN 0.609 nan 8.190 nan 0.000 0.450 109 T N -0.068 114.353 114.554 -0.222 0.000 2.904 109 T HA -0.049 4.402 4.350 0.168 0.000 0.267 109 T C 1.869 176.521 174.700 -0.079 0.000 1.059 109 T CA 1.295 63.314 62.100 -0.135 0.000 1.137 109 T CB -0.461 68.338 68.868 -0.115 0.000 0.879 109 T HN 0.646 nan 8.240 nan 0.000 0.467 110 G N 1.467 110.220 108.800 -0.078 0.000 2.418 110 G HA2 -0.176 3.885 3.960 0.168 0.000 0.217 110 G HA3 -0.176 3.885 3.960 0.168 0.000 0.217 110 G C 1.557 176.436 174.900 -0.035 0.000 1.158 110 G CA 0.450 45.529 45.100 -0.035 0.000 0.771 110 G HN 0.385 nan 8.290 nan 0.000 0.545 111 E N 0.665 120.818 120.200 -0.079 0.000 2.106 111 E HA -0.059 4.392 4.350 0.168 0.000 0.192 111 E C 2.764 179.319 176.600 -0.075 0.000 0.984 111 E CA 0.927 57.274 56.400 -0.087 0.000 0.806 111 E CB -0.540 29.068 29.700 -0.153 0.000 0.750 111 E HN 0.386 nan 8.360 nan 0.000 0.458 112 G N 1.271 110.022 108.800 -0.082 0.000 2.408 112 G HA2 -0.283 3.778 3.960 0.168 0.000 0.217 112 G HA3 -0.283 3.778 3.960 0.168 0.000 0.217 112 G C 1.766 176.655 174.900 -0.019 0.000 1.150 112 G CA 0.638 45.696 45.100 -0.071 0.000 0.776 112 G HN 0.141 nan 8.290 nan 0.000 0.542 113 R N 0.132 120.653 120.500 0.036 0.000 2.096 113 R HA 0.006 4.447 4.340 0.168 0.000 0.240 113 R C 2.680 179.072 176.300 0.153 0.000 1.139 113 R CA 1.729 57.923 56.100 0.156 0.000 0.952 113 R CB -0.429 29.932 30.300 0.102 0.000 0.854 113 R HN 0.405 nan 8.270 nan 0.000 0.436 114 M N -0.990 118.643 119.600 0.055 0.000 2.132 114 M HA -0.078 4.503 4.480 0.168 0.000 0.263 114 M C 2.300 178.588 176.300 -0.020 0.000 1.065 114 M CA 1.789 57.102 55.300 0.022 0.000 1.122 114 M CB -0.330 32.274 32.600 0.006 0.000 1.365 114 M HN 0.305 nan 8.290 nan 0.000 0.411 115 A N 0.295 123.084 122.820 -0.053 0.000 1.972 115 A HA -0.199 4.222 4.320 0.168 0.000 0.219 115 A C 2.148 179.662 177.584 -0.117 0.000 1.169 115 A CA 1.976 53.959 52.037 -0.090 0.000 0.635 115 A CB -0.502 18.429 19.000 -0.115 0.000 0.810 115 A HN 0.384 nan 8.150 nan 0.000 0.446 116 R N -1.676 118.716 120.500 -0.181 0.000 2.075 116 R HA 0.152 4.593 4.340 0.168 0.000 0.220 116 R C 0.944 177.020 176.300 -0.373 0.000 1.118 116 R CA 1.497 57.355 56.100 -0.402 0.000 0.986 116 R CB -0.566 29.306 30.300 -0.713 0.000 0.884 116 R HN 0.395 nan 8.270 nan 0.000 0.439 117 F N -0.243 119.735 119.950 0.046 0.000 2.704 117 F HA 0.430 5.058 4.527 0.168 0.000 0.304 117 F C 0.673 176.528 175.800 0.091 0.000 1.094 117 F CA -0.143 57.939 58.000 0.137 0.000 1.275 117 F CB 0.067 39.096 39.000 0.048 0.000 1.073 117 F HN -0.119 nan 8.300 nan 0.000 0.586 118 S N 0.858 116.602 115.700 0.073 0.000 2.549 118 S HA 0.054 4.625 4.470 0.168 0.000 0.283 118 S C 1.285 175.581 174.600 -0.506 0.000 1.320 118 S CA -0.257 57.799 58.200 -0.240 0.000 1.058 118 S CB 0.648 63.700 63.200 -0.247 0.000 0.882 118 S HN 0.294 nan 8.310 nan 0.000 0.498 119 K N 2.701 122.489 120.400 -1.020 0.000 2.459 119 K HA 0.131 4.553 4.320 0.168 0.000 0.193 119 K C 0.560 176.744 176.600 -0.692 0.000 1.030 119 K CA 0.297 55.825 56.287 -1.264 0.000 1.026 119 K CB 0.081 31.577 32.500 -1.673 0.000 0.809 119 K HN 0.630 nan 8.250 nan 0.000 0.504 120 A N 2.323 124.822 122.820 -0.536 0.000 2.302 120 A HA 0.224 4.645 4.320 0.168 0.000 0.295 120 A C -1.917 175.520 177.584 -0.246 0.000 1.235 120 A CA -1.474 50.410 52.037 -0.255 0.000 0.876 120 A CB 0.395 19.132 19.000 -0.438 0.000 1.133 120 A HN -0.069 nan 8.150 nan 0.000 0.533 121 P HA -0.133 nan 4.420 nan 0.000 0.215 121 P C 1.684 178.986 177.300 0.002 0.000 1.153 121 P CA 1.925 65.013 63.100 -0.020 0.000 0.853 121 P CB 0.123 31.853 31.700 0.052 0.000 0.788 122 G N -0.342 108.500 108.800 0.070 0.000 2.432 122 G HA2 -0.288 3.773 3.960 0.168 0.000 0.219 122 G HA3 -0.288 3.773 3.960 0.168 0.000 0.219 122 G C 1.701 176.677 174.900 0.127 0.000 1.135 122 G CA 0.697 45.921 45.100 0.206 0.000 0.767 122 G HN 0.259 nan 8.290 nan 0.000 0.550 123 N N 0.942 119.486 118.700 -0.259 0.000 2.142 123 N HA -0.066 4.775 4.740 0.168 0.000 0.186 123 N C 2.303 177.761 175.510 -0.085 0.000 1.023 123 N CA 0.915 53.809 53.050 -0.260 0.000 0.852 123 N CB -0.329 37.753 38.487 -0.676 0.000 0.998 123 N HN 0.296 nan 8.380 nan 0.000 0.424 124 R N -0.157 120.279 120.500 -0.107 0.000 2.096 124 R HA -0.022 4.419 4.340 0.168 0.000 0.235 124 R C 1.486 177.752 176.300 -0.057 0.000 1.127 124 R CA 1.288 57.345 56.100 -0.071 0.000 0.968 124 R CB -0.300 29.967 30.300 -0.056 0.000 0.861 124 R HN 0.327 nan 8.270 nan 0.000 0.440 125 N N 0.223 118.915 118.700 -0.013 0.000 2.135 125 N HA -0.057 4.784 4.740 0.168 0.000 0.186 125 N C 1.695 177.222 175.510 0.029 0.000 1.027 125 N CA 1.109 54.143 53.050 -0.028 0.000 0.849 125 N CB -0.101 38.430 38.487 0.074 0.000 1.002 125 N HN 0.066 nan 8.380 nan 0.000 0.425 126 M N 0.595 120.312 119.600 0.195 0.000 2.279 126 M HA 0.057 4.638 4.480 0.168 0.000 0.264 126 M C 1.908 178.308 176.300 0.165 0.000 1.062 126 M CA 0.629 56.112 55.300 0.304 0.000 1.099 126 M CB -1.190 31.609 32.600 0.331 0.000 1.394 126 M HN 0.113 nan 8.290 nan 0.000 0.426 127 A N -0.428 122.422 122.820 0.050 0.000 2.014 127 A HA -0.086 4.335 4.320 0.168 0.000 0.218 127 A C 2.308 179.828 177.584 -0.107 0.000 1.163 127 A CA 1.827 53.852 52.037 -0.021 0.000 0.652 127 A CB -0.863 18.116 19.000 -0.034 0.000 0.808 127 A HN 0.446 nan 8.150 nan 0.000 0.449 128 T N -0.305 114.132 114.554 -0.194 0.000 2.737 128 T HA -0.082 4.369 4.350 0.168 0.000 0.265 128 T C 1.462 175.917 174.700 -0.410 0.000 1.038 128 T CA 1.549 63.453 62.100 -0.327 0.000 1.144 128 T CB -0.428 68.172 68.868 -0.447 0.000 0.866 128 T HN 0.419 nan 8.240 nan 0.000 0.434 129 F N 1.653 121.486 119.950 -0.195 0.000 2.171 129 F HA 0.082 4.710 4.527 0.169 0.000 0.300 129 F C 2.659 178.351 175.800 -0.180 0.000 1.090 129 F CA 0.659 58.441 58.000 -0.363 0.000 1.293 129 F CB -1.278 37.520 39.000 -0.337 0.000 1.013 129 F HN 0.222 nan 8.300 nan 0.000 0.486 130 G N -0.359 108.458 108.800 0.028 0.000 2.418 130 G HA2 -0.252 3.809 3.960 0.168 0.000 0.217 130 G HA3 -0.252 3.809 3.960 0.168 0.000 0.217 130 G C 1.718 176.484 174.900 -0.224 0.000 1.158 130 G CA 0.888 45.885 45.100 -0.171 0.000 0.771 130 G HN 0.254 nan 8.290 nan 0.000 0.545 131 M N -0.109 119.390 119.600 -0.167 0.000 2.080 131 M HA -0.038 4.543 4.480 0.168 0.000 0.260 131 M C 2.733 178.963 176.300 -0.118 0.000 1.068 131 M CA 1.334 56.537 55.300 -0.161 0.000 1.109 131 M CB -0.292 32.220 32.600 -0.147 0.000 1.342 131 M HN 0.127 nan 8.290 nan 0.000 0.405 132 M N 0.065 119.623 119.600 -0.070 0.000 2.086 132 M HA -0.196 4.385 4.480 0.168 0.000 0.261 132 M C 1.611 177.948 176.300 0.063 0.000 1.067 132 M CA 1.690 57.012 55.300 0.036 0.000 1.116 132 M CB -1.339 31.310 32.600 0.082 0.000 1.348 132 M HN 0.210 nan 8.290 nan 0.000 0.407 133 D N 0.431 120.865 120.400 0.057 0.000 2.104 133 D HA -0.168 4.574 4.640 0.168 0.000 0.194 133 D C 1.961 177.957 176.300 -0.508 0.000 0.994 133 D CA 1.185 55.117 54.000 -0.112 0.000 0.830 133 D CB -0.261 40.560 40.800 0.035 0.000 0.959 133 D HN 0.337 nan 8.370 nan 0.000 0.452 134 E N 0.320 120.300 120.200 -0.366 0.000 2.150 134 E HA -0.104 4.347 4.350 0.168 0.000 0.193 134 E C 2.248 178.787 176.600 -0.102 0.000 0.985 134 E CA 0.024 56.252 56.400 -0.286 0.000 0.814 134 E CB -0.367 29.212 29.700 -0.201 0.000 0.752 134 E HN 0.229 nan 8.360 nan 0.000 0.466 135 L N 1.790 122.978 121.223 -0.059 0.000 1.989 135 L HA -0.189 4.252 4.340 0.168 0.000 0.211 135 L C 2.568 179.508 176.870 0.118 0.000 1.071 135 L CA 1.944 56.836 54.840 0.087 0.000 0.749 135 L CB -0.492 41.620 42.059 0.088 0.000 0.890 135 L HN -0.015 nan 8.230 nan 0.000 0.431 136 R N -1.276 119.259 120.500 0.058 0.000 2.113 136 R HA -0.244 4.197 4.340 0.168 0.000 0.244 136 R C 2.308 178.741 176.300 0.221 0.000 1.142 136 R CA 2.391 58.563 56.100 0.121 0.000 0.953 136 R CB -0.640 29.714 30.300 0.091 0.000 0.860 136 R HN 0.659 nan 8.270 nan 0.000 0.438 137 H N -1.841 117.296 119.070 0.110 0.000 2.389 137 H HA -0.021 4.637 4.556 0.170 0.000 0.299 137 H C 2.060 177.480 175.328 0.152 0.000 1.081 137 H CA 0.433 56.544 56.048 0.105 0.000 1.345 137 H CB -0.086 29.720 29.762 0.073 0.000 1.393 137 H HN 0.494 nan 8.280 nan 0.000 0.520 138 G N 0.652 109.623 108.800 0.284 0.000 2.418 138 G HA2 -0.247 3.814 3.960 0.168 0.000 0.217 138 G HA3 -0.247 3.814 3.960 0.168 0.000 0.217 138 G C 1.492 176.535 174.900 0.239 0.000 1.158 138 G CA 0.528 45.782 45.100 0.257 0.000 0.771 138 G HN 0.405 nan 8.290 nan 0.000 0.545 139 Q N -0.295 119.647 119.800 0.236 0.000 2.083 139 Q HA 0.114 4.555 4.340 0.168 0.000 0.198 139 Q C 2.706 178.896 176.000 0.316 0.000 0.969 139 Q CA 0.579 56.523 55.803 0.235 0.000 0.838 139 Q CB -0.233 28.623 28.738 0.196 0.000 0.900 139 Q HN 0.412 nan 8.270 nan 0.000 0.436 140 L N 0.598 121.991 121.223 0.284 0.000 2.013 140 L HA -0.258 4.183 4.340 0.168 0.000 0.212 140 L C 2.147 179.213 176.870 0.327 0.000 1.073 140 L CA 1.491 56.483 54.840 0.254 0.000 0.753 140 L CB -0.269 41.792 42.059 0.003 0.000 0.890 140 L HN 0.277 nan 8.230 nan 0.000 0.432 141 Q N -0.766 119.223 119.800 0.315 0.000 2.403 141 Q HA 0.034 4.475 4.340 0.168 0.000 0.203 141 Q C 2.001 178.188 176.000 0.313 0.000 0.932 141 Q CA 0.229 56.282 55.803 0.417 0.000 0.945 141 Q CB 0.362 29.403 28.738 0.505 0.000 1.045 141 Q HN 0.543 nan 8.270 nan 0.000 0.511 142 L N -1.363 120.032 121.223 0.286 0.000 2.221 142 L HA 0.007 4.448 4.340 0.168 0.000 0.202 142 L C 1.873 178.886 176.870 0.239 0.000 1.074 142 L CA 0.478 55.459 54.840 0.235 0.000 0.795 142 L CB -0.198 41.991 42.059 0.216 0.000 0.960 142 L HN 0.194 nan 8.230 nan 0.000 0.458 143 F N 0.122 120.196 119.950 0.207 0.000 2.186 143 F HA -0.213 4.410 4.527 0.161 0.000 0.299 143 F C 2.125 178.041 175.800 0.193 0.000 1.090 143 F CA 1.477 59.602 58.000 0.208 0.000 1.307 143 F CB -0.040 39.163 39.000 0.339 0.000 1.019 143 F HN -0.111 nan 8.300 nan 0.000 0.489 144 F N 1.230 121.242 119.950 0.102 0.000 2.128 144 F HA -0.022 4.598 4.527 0.155 0.000 0.295 144 F C -0.326 175.258 175.800 -0.359 0.000 1.100 144 F CA 0.810 58.781 58.000 -0.048 0.000 1.260 144 F CB -2.271 36.820 39.000 0.151 0.000 1.009 144 F HN -0.024 nan 8.300 nan 0.000 0.476 145 P HA -0.165 nan 4.420 nan 0.000 0.229 145 P C 1.541 178.658 177.300 -0.305 0.000 1.160 145 P CA 1.423 64.280 63.100 -0.406 0.000 0.777 145 P CB -0.405 31.058 31.700 -0.395 0.000 0.814 146 H N 2.350 121.222 119.070 -0.331 0.000 2.422 146 H HA -0.136 4.520 4.556 0.166 0.000 0.298 146 H C 1.576 176.659 175.328 -0.409 0.000 1.098 146 H CA 1.904 57.772 56.048 -0.299 0.000 1.315 146 H CB 0.074 29.648 29.762 -0.313 0.000 1.382 146 H HN 0.285 nan 8.280 nan 0.000 0.523 147 E N -0.526 119.315 120.200 -0.597 0.000 2.347 147 E HA -0.161 4.290 4.350 0.168 0.000 0.196 147 E C 1.061 177.258 176.600 -0.672 0.000 1.008 147 E CA 0.718 56.730 56.400 -0.647 0.000 0.852 147 E CB -0.340 28.934 29.700 -0.710 0.000 0.783 147 E HN 0.442 nan 8.360 nan 0.000 0.505 148 Y N 0.407 120.399 120.300 -0.515 0.000 2.511 148 Y HA 0.099 4.743 4.550 0.156 0.000 0.279 148 Y C 2.110 177.776 175.900 -0.391 0.000 1.157 148 Y CA -1.076 56.636 58.100 -0.648 0.000 1.300 148 Y CB -0.457 37.180 38.460 -1.371 0.000 1.052 148 Y HN 0.204 nan 8.280 nan 0.000 0.529 149 C N 1.040 120.232 119.300 -0.180 0.000 2.375 149 C HA -0.286 4.275 4.460 0.168 0.000 0.274 149 C C 2.610 177.556 174.990 -0.074 0.000 1.190 149 C CA 2.001 60.973 59.018 -0.077 0.000 1.775 149 C CB -1.070 26.530 27.740 -0.233 0.000 2.067 149 C HN 0.629 nan 8.230 nan 0.000 0.463 150 K N 0.769 121.076 120.400 -0.155 0.000 2.442 150 K HA -0.082 4.339 4.320 0.168 0.000 0.198 150 K C 1.564 178.113 176.600 -0.085 0.000 1.042 150 K CA 1.285 57.507 56.287 -0.109 0.000 0.958 150 K CB -0.184 32.240 32.500 -0.127 0.000 0.766 150 K HN 0.491 nan 8.250 nan 0.000 0.474 151 K N -0.051 120.273 120.400 -0.126 0.000 2.276 151 K HA 0.051 4.472 4.320 0.168 0.000 0.198 151 K C -0.221 176.357 176.600 -0.035 0.000 1.052 151 K CA 0.406 56.575 56.287 -0.198 0.000 0.984 151 K CB 0.438 32.529 32.500 -0.682 0.000 0.836 151 K HN 0.088 nan 8.250 nan 0.000 0.490 152 D N -0.421 120.033 120.400 0.091 0.000 2.688 152 D HA 0.126 4.867 4.640 0.168 0.000 0.210 152 D C -0.099 176.372 176.300 0.285 0.000 1.333 152 D CA -0.163 53.982 54.000 0.241 0.000 0.920 152 D CB 1.067 42.114 40.800 0.410 0.000 1.554 152 D HN -0.159 nan 8.370 nan 0.000 0.579 153 R N 1.453 122.091 120.500 0.230 0.000 2.193 153 R HA -0.105 4.336 4.340 0.168 0.000 0.229 153 R C 1.661 178.181 176.300 0.366 0.000 1.110 153 R CA 1.184 57.441 56.100 0.262 0.000 0.988 153 R CB 0.229 30.671 30.300 0.237 0.000 0.871 153 R HN 0.511 nan 8.270 nan 0.000 0.458 154 Q N -0.699 119.287 119.800 0.309 0.000 2.291 154 Q HA -0.121 4.320 4.340 0.168 0.000 0.206 154 Q C 1.152 177.339 176.000 0.311 0.000 0.976 154 Q CA 1.013 56.997 55.803 0.303 0.000 0.875 154 Q CB 0.021 28.834 28.738 0.124 0.000 0.927 154 Q HN 0.304 nan 8.270 nan 0.000 0.450 155 F N 0.486 120.642 119.950 0.343 0.000 2.502 155 F HA -0.098 4.531 4.527 0.171 0.000 0.298 155 F C 1.696 177.657 175.800 0.269 0.000 1.111 155 F CA 0.839 59.023 58.000 0.307 0.000 1.445 155 F CB -0.010 39.130 39.000 0.233 0.000 1.081 155 F HN 0.072 nan 8.300 nan 0.000 0.558 156 D N -1.103 119.543 120.400 0.411 0.000 2.309 156 D HA -0.221 4.520 4.640 0.168 0.000 0.212 156 D C 1.573 177.995 176.300 0.203 0.000 0.968 156 D CA 1.051 55.216 54.000 0.276 0.000 0.882 156 D CB -0.192 40.717 40.800 0.183 0.000 0.918 156 D HN 0.264 nan 8.370 nan 0.000 0.503 157 W N 0.496 121.806 121.300 0.017 0.000 2.937 157 W HA 0.318 5.078 4.660 0.166 0.000 0.245 157 W C 2.279 178.647 176.519 -0.251 0.000 1.306 157 W CA 0.458 57.635 57.345 -0.280 0.000 1.470 157 W CB -0.461 28.566 29.460 -0.723 0.000 1.132 157 W HN -0.018 nan 8.180 nan 0.000 0.675 158 A N -0.354 122.598 122.820 0.221 0.000 1.948 158 A HA -0.250 4.171 4.320 0.168 0.000 0.220 158 A C 1.707 179.397 177.584 0.176 0.000 1.177 158 A CA 1.918 54.106 52.037 0.252 0.000 0.636 158 A CB -1.100 18.102 19.000 0.337 0.000 0.815 158 A HN 0.524 nan 8.150 nan 0.000 0.449 159 W N -0.516 120.804 121.300 0.034 0.000 2.574 159 W HA 0.126 4.886 4.660 0.166 0.000 0.282 159 W C 2.297 178.810 176.519 -0.009 0.000 1.197 159 W CA 1.017 58.369 57.345 0.011 0.000 1.376 159 W CB -0.062 29.393 29.460 -0.007 0.000 1.091 159 W HN 0.174 nan 8.180 nan 0.000 0.569 160 R N 0.478 120.737 120.500 -0.402 0.000 2.115 160 R HA -0.038 4.403 4.340 0.168 0.000 0.226 160 R C 2.231 178.072 176.300 -0.766 0.000 1.100 160 R CA 1.250 56.822 56.100 -0.880 0.000 0.980 160 R CB -0.501 29.241 30.300 -0.930 0.000 0.875 160 R HN 0.208 nan 8.270 nan 0.000 0.445 161 A N 0.384 122.883 122.820 -0.534 0.000 1.892 161 A HA -0.223 4.198 4.320 0.168 0.000 0.218 161 A C 1.714 179.132 177.584 -0.276 0.000 1.188 161 A CA 1.423 53.231 52.037 -0.382 0.000 0.631 161 A CB -0.889 17.727 19.000 -0.641 0.000 0.822 161 A HN 0.435 nan 8.150 nan 0.000 0.447 162 Y N -0.229 119.826 120.300 -0.409 0.000 2.497 162 Y HA -0.121 4.530 4.550 0.168 0.000 0.292 162 Y C 2.163 177.754 175.900 -0.516 0.000 1.137 162 Y CA 1.158 59.034 58.100 -0.372 0.000 1.285 162 Y CB -0.310 37.931 38.460 -0.364 0.000 0.991 162 Y HN 0.503 nan 8.280 nan 0.000 0.556 163 H N -1.229 117.637 119.070 -0.340 0.000 2.539 163 H HA 0.178 4.835 4.556 0.168 0.000 0.267 163 H C 0.995 176.132 175.328 -0.317 0.000 0.982 163 H CA 0.655 56.485 56.048 -0.364 0.000 1.146 163 H CB 0.183 29.595 29.762 -0.584 0.000 1.382 163 H HN 0.249 nan 8.280 nan 0.000 0.577 164 S N 0.161 115.714 115.700 -0.245 0.000 2.747 164 S HA 0.240 4.811 4.470 0.168 0.000 0.300 164 S C 0.659 175.185 174.600 -0.124 0.000 1.121 164 S CA -0.914 57.163 58.200 -0.206 0.000 0.995 164 S CB 1.758 64.836 63.200 -0.203 0.000 1.113 164 S HN 0.093 nan 8.310 nan 0.000 0.547 165 N N 0.919 119.540 118.700 -0.130 0.000 2.321 165 N HA 0.168 5.009 4.740 0.168 0.000 0.242 165 N C -0.326 175.240 175.510 0.094 0.000 1.141 165 N CA -0.152 52.857 53.050 -0.068 0.000 0.864 165 N CB 0.219 38.505 38.487 -0.336 0.000 1.100 165 N HN 0.694 nan 8.380 nan 0.000 0.510 166 E N 1.223 121.495 120.200 0.120 0.000 2.413 166 E HA -0.085 4.367 4.350 0.168 0.000 0.263 166 E C 1.129 177.805 176.600 0.127 0.000 1.015 166 E CA -0.377 56.138 56.400 0.190 0.000 0.916 166 E CB 0.663 30.484 29.700 0.200 0.000 0.947 166 E HN 0.340 nan 8.360 nan 0.000 0.440 167 W N 4.137 125.545 121.300 0.180 0.000 2.363 167 W HA -0.154 4.607 4.660 0.169 0.000 0.296 167 W C 1.125 177.707 176.519 0.105 0.000 1.212 167 W CA 1.135 58.546 57.345 0.111 0.000 1.260 167 W CB -0.979 28.498 29.460 0.029 0.000 1.131 167 W HN 0.493 nan 8.180 nan 0.000 0.530 168 A N 1.454 123.579 122.820 -1.158 0.000 1.970 168 A HA 0.221 4.642 4.320 0.168 0.000 0.216 168 A C 2.332 179.766 177.584 -0.249 0.000 1.170 168 A CA 2.078 53.516 52.037 -0.998 0.000 0.645 168 A CB -0.966 17.262 19.000 -1.286 0.000 0.816 168 A HN 0.323 nan 8.150 nan 0.000 0.447 169 A N 0.113 122.908 122.820 -0.042 0.000 1.930 169 A HA -0.013 4.408 4.320 0.168 0.000 0.217 169 A C 2.043 179.548 177.584 -0.133 0.000 1.175 169 A CA 1.322 53.315 52.037 -0.073 0.000 0.627 169 A CB -0.531 18.434 19.000 -0.057 0.000 0.815 169 A HN 0.476 nan 8.150 nan 0.000 0.443 170 I N -0.240 120.321 120.570 -0.016 0.000 2.226 170 I HA -0.281 3.990 4.170 0.168 0.000 0.245 170 I C 2.981 179.151 176.117 0.089 0.000 1.100 170 I CA 1.020 62.367 61.300 0.079 0.000 1.374 170 I CB -0.337 37.777 38.000 0.190 0.000 1.057 170 I HN 0.361 nan 8.210 nan 0.000 0.413 171 A N 0.806 123.655 122.820 0.048 0.000 1.877 171 A HA -0.198 4.223 4.320 0.168 0.000 0.216 171 A C 2.550 180.145 177.584 0.019 0.000 1.186 171 A CA 2.013 54.072 52.037 0.038 0.000 0.620 171 A CB -0.916 18.086 19.000 0.003 0.000 0.822 171 A HN 0.433 nan 8.150 nan 0.000 0.443 172 A N -0.388 122.405 122.820 -0.044 0.000 1.902 172 A HA -0.161 4.260 4.320 0.168 0.000 0.217 172 A C 2.132 179.753 177.584 0.062 0.000 1.181 172 A CA 1.843 53.865 52.037 -0.025 0.000 0.623 172 A CB -0.417 18.596 19.000 0.022 0.000 0.818 172 A HN 0.542 nan 8.150 nan 0.000 0.443 173 K N -1.482 118.908 120.400 -0.016 0.000 2.155 173 K HA -0.115 4.306 4.320 0.168 0.000 0.203 173 K C 2.085 178.756 176.600 0.119 0.000 1.052 173 K CA 0.993 57.330 56.287 0.083 0.000 0.948 173 K CB -0.288 32.205 32.500 -0.012 0.000 0.728 173 K HN 0.656 nan 8.250 nan 0.000 0.448 174 H N 0.146 119.231 119.070 0.025 0.000 2.387 174 H HA -0.158 4.499 4.556 0.168 0.000 0.299 174 H C 1.876 177.221 175.328 0.029 0.000 1.090 174 H CA 1.581 57.631 56.048 0.004 0.000 1.332 174 H CB -0.023 29.721 29.762 -0.030 0.000 1.386 174 H HN 0.154 nan 8.280 nan 0.000 0.516 175 F N 0.558 120.506 119.950 -0.003 0.000 2.098 175 F HA -0.137 4.491 4.527 0.168 0.000 0.294 175 F C 1.965 177.650 175.800 -0.192 0.000 1.107 175 F CA 1.184 59.084 58.000 -0.166 0.000 1.234 175 F CB -0.896 37.855 39.000 -0.416 0.000 1.002 175 F HN -0.016 nan 8.300 nan 0.000 0.472 176 F N 1.169 121.010 119.950 -0.182 0.000 2.234 176 F HA -0.112 4.516 4.527 0.168 0.000 0.299 176 F C 2.258 177.928 175.800 -0.217 0.000 1.087 176 F CA 1.329 59.164 58.000 -0.275 0.000 1.340 176 F CB -1.088 37.947 39.000 0.058 0.000 1.031 176 F HN 0.015 nan 8.300 nan 0.000 0.500 177 D N -0.372 120.048 120.400 0.033 0.000 2.224 177 D HA -0.149 4.592 4.640 0.168 0.000 0.205 177 D C 1.888 178.106 176.300 -0.137 0.000 0.965 177 D CA 1.098 55.076 54.000 -0.037 0.000 0.852 177 D CB -0.331 40.446 40.800 -0.037 0.000 0.947 177 D HN 0.227 nan 8.370 nan 0.000 0.494 178 D N 0.253 120.527 120.400 -0.209 0.000 2.137 178 D HA -0.066 4.675 4.640 0.168 0.000 0.202 178 D C 1.998 178.181 176.300 -0.195 0.000 0.970 178 D CA 0.573 54.456 54.000 -0.195 0.000 0.837 178 D CB 0.176 40.912 40.800 -0.107 0.000 0.981 178 D HN 0.382 nan 8.370 nan 0.000 0.475 179 I N -2.993 117.383 120.570 -0.324 0.000 3.854 179 I HA 0.256 4.527 4.170 0.168 0.000 0.312 179 I C 1.699 177.738 176.117 -0.131 0.000 1.273 179 I CA 0.160 61.306 61.300 -0.258 0.000 1.298 179 I CB 0.248 37.969 38.000 -0.463 0.000 1.071 179 I HN -0.109 nan 8.210 nan 0.000 0.428 180 I N 1.033 121.538 120.570 -0.107 0.000 3.366 180 I HA 0.017 4.288 4.170 0.168 0.000 0.267 180 I C 2.147 178.243 176.117 -0.034 0.000 1.149 180 I CA 1.262 62.544 61.300 -0.030 0.000 1.436 180 I CB 0.017 38.026 38.000 0.014 0.000 1.379 180 I HN 0.296 nan 8.210 nan 0.000 0.460 181 T N -2.538 111.992 114.554 -0.039 0.000 3.022 181 T HA 0.171 4.622 4.350 0.168 0.000 0.250 181 T C 1.491 176.159 174.700 -0.053 0.000 1.060 181 T CA 0.557 62.635 62.100 -0.037 0.000 1.013 181 T CB 0.284 69.139 68.868 -0.021 0.000 0.982 181 T HN 0.289 nan 8.240 nan 0.000 0.508 182 G N 0.697 109.451 108.800 -0.077 0.000 3.233 182 G HA2 0.436 4.497 3.960 0.168 0.000 0.234 182 G HA3 0.436 4.497 3.960 0.168 0.000 0.234 182 G C 0.373 175.203 174.900 -0.116 0.000 1.137 182 G CA -0.658 44.381 45.100 -0.103 0.000 0.763 182 G HN 0.385 nan 8.290 nan 0.000 0.549 183 R N -0.036 120.407 120.500 -0.096 0.000 2.855 183 R HA 0.380 4.821 4.340 0.168 0.000 0.266 183 R C -0.984 175.262 176.300 -0.091 0.000 1.034 183 R CA -0.832 55.209 56.100 -0.098 0.000 0.944 183 R CB 1.143 31.397 30.300 -0.077 0.000 1.219 183 R HN 0.285 nan 8.270 nan 0.000 0.474 184 D N 0.092 120.429 120.400 -0.105 0.000 2.354 184 D HA 0.097 4.838 4.640 0.168 0.000 0.238 184 D C 0.904 177.173 176.300 -0.051 0.000 1.250 184 D CA -0.079 53.851 54.000 -0.116 0.000 0.911 184 D CB 0.587 41.305 40.800 -0.137 0.000 1.163 184 D HN 0.491 nan 8.370 nan 0.000 0.456 185 A N 0.661 123.460 122.820 -0.034 0.000 1.883 185 A HA -0.161 4.260 4.320 0.168 0.000 0.217 185 A C 2.167 179.761 177.584 0.016 0.000 1.186 185 A CA 1.146 53.192 52.037 0.015 0.000 0.624 185 A CB -0.765 18.261 19.000 0.043 0.000 0.822 185 A HN 0.635 nan 8.150 nan 0.000 0.444 186 I N 0.217 120.786 120.570 -0.001 0.000 2.315 186 I HA -0.137 4.134 4.170 0.168 0.000 0.248 186 I C 2.560 178.732 176.117 0.093 0.000 1.117 186 I CA 1.553 62.891 61.300 0.063 0.000 1.404 186 I CB -1.595 36.462 38.000 0.095 0.000 1.071 186 I HN 0.218 nan 8.210 nan 0.000 0.419 187 S N 0.875 116.607 115.700 0.055 0.000 2.359 187 S HA -0.134 4.437 4.470 0.168 0.000 0.224 187 S C 2.288 176.942 174.600 0.090 0.000 1.035 187 S CA 1.261 59.501 58.200 0.068 0.000 1.018 187 S CB -0.420 62.792 63.200 0.021 0.000 0.876 187 S HN 0.255 nan 8.310 nan 0.000 0.448 188 V N 2.200 122.153 119.914 0.066 0.000 2.287 188 V HA -0.260 3.961 4.120 0.168 0.000 0.248 188 V C 2.683 178.864 176.094 0.145 0.000 1.053 188 V CA 1.755 64.106 62.300 0.086 0.000 1.027 188 V CB -1.366 30.491 31.823 0.056 0.000 0.646 188 V HN 0.555 nan 8.190 nan 0.000 0.447 189 A N -0.161 122.751 122.820 0.152 0.000 1.892 189 A HA -0.234 4.187 4.320 0.168 0.000 0.218 189 A C 2.181 179.930 177.584 0.274 0.000 1.188 189 A CA 2.404 54.569 52.037 0.213 0.000 0.631 189 A CB -0.545 18.587 19.000 0.220 0.000 0.822 189 A HN 0.549 nan 8.150 nan 0.000 0.447 190 I N -1.540 119.182 120.570 0.254 0.000 2.400 190 I HA -0.164 4.107 4.170 0.168 0.000 0.248 190 I C 2.695 179.038 176.117 0.377 0.000 1.109 190 I CA 1.111 62.597 61.300 0.310 0.000 1.425 190 I CB -0.228 37.910 38.000 0.229 0.000 1.094 190 I HN 0.306 nan 8.210 nan 0.000 0.425 191 M N -0.310 119.459 119.600 0.281 0.000 2.193 191 M HA -0.099 4.482 4.480 0.168 0.000 0.265 191 M C 2.196 178.669 176.300 0.288 0.000 1.071 191 M CA 1.485 56.949 55.300 0.272 0.000 1.140 191 M CB -0.113 32.587 32.600 0.167 0.000 1.369 191 M HN 0.224 nan 8.290 nan 0.000 0.423 192 L N 0.062 121.439 121.223 0.256 0.000 2.116 192 L HA -0.022 4.419 4.340 0.168 0.000 0.200 192 L C 2.602 179.683 176.870 0.352 0.000 1.084 192 L CA 2.156 57.183 54.840 0.312 0.000 0.766 192 L CB -0.986 41.210 42.059 0.228 0.000 0.930 192 L HN 0.358 nan 8.230 nan 0.000 0.453 193 T N -2.801 111.942 114.554 0.315 0.000 2.896 193 T HA -0.137 4.314 4.350 0.168 0.000 0.263 193 T C 1.794 176.698 174.700 0.339 0.000 1.050 193 T CA 1.323 63.615 62.100 0.320 0.000 1.140 193 T CB -0.885 68.169 68.868 0.310 0.000 0.877 193 T HN 0.280 nan 8.240 nan 0.000 0.457 194 F N 2.274 122.379 119.950 0.259 0.000 2.059 194 F HA 0.163 4.792 4.527 0.170 0.000 0.289 194 F C 2.596 178.595 175.800 0.331 0.000 1.128 194 F CA 1.314 59.486 58.000 0.286 0.000 1.181 194 F CB -0.597 38.568 39.000 0.275 0.000 1.012 194 F HN 0.097 nan 8.300 nan 0.000 0.473 195 S N 0.574 116.421 115.700 0.246 0.000 2.343 195 S HA -0.176 4.396 4.470 0.168 0.000 0.219 195 S C 1.848 176.451 174.600 0.005 0.000 1.033 195 S CA 1.501 59.748 58.200 0.078 0.000 1.014 195 S CB -0.917 62.499 63.200 0.360 0.000 0.915 195 S HN 0.443 nan 8.310 nan 0.000 0.435 196 F N 2.137 122.129 119.950 0.070 0.000 2.128 196 F HA 0.051 4.679 4.527 0.169 0.000 0.295 196 F C 2.112 177.935 175.800 0.039 0.000 1.100 196 F CA 1.181 59.251 58.000 0.116 0.000 1.260 196 F CB -0.315 38.856 39.000 0.286 0.000 1.009 196 F HN 0.186 nan 8.300 nan 0.000 0.476 197 E N -1.248 118.962 120.200 0.016 0.000 2.447 197 E HA -0.033 4.418 4.350 0.168 0.000 0.195 197 E C 1.648 178.181 176.600 -0.112 0.000 1.028 197 E CA 1.014 57.355 56.400 -0.097 0.000 0.876 197 E CB -0.009 29.749 29.700 0.097 0.000 0.885 197 E HN 0.443 nan 8.360 nan 0.000 0.500 198 T N -3.169 111.318 114.554 -0.112 0.000 3.040 198 T HA 0.186 4.637 4.350 0.168 0.000 0.250 198 T C 1.418 176.041 174.700 -0.128 0.000 1.058 198 T CA 0.295 62.362 62.100 -0.054 0.000 0.988 198 T CB 0.748 69.647 68.868 0.052 0.000 0.993 198 T HN 0.083 nan 8.240 nan 0.000 0.519 199 G N 0.716 109.238 108.800 -0.464 0.000 2.600 199 G HA2 0.299 4.360 3.960 0.168 0.000 0.225 199 G HA3 0.299 4.360 3.960 0.168 0.000 0.225 199 G C 0.724 175.260 174.900 -0.606 0.000 1.623 199 G CA -0.217 44.379 45.100 -0.840 0.000 0.903 199 G HN 0.335 nan 8.290 nan 0.000 0.574 200 F N 1.823 121.435 119.950 -0.565 0.000 2.416 200 F HA 0.073 4.700 4.527 0.167 0.000 0.296 200 F C 3.166 178.622 175.800 -0.572 0.000 1.099 200 F CA 1.569 59.189 58.000 -0.634 0.000 1.427 200 F CB -0.176 38.216 39.000 -1.014 0.000 1.079 200 F HN 0.247 nan 8.300 nan 0.000 0.536 201 T N -2.531 111.746 114.554 -0.462 0.000 2.915 201 T HA -0.156 4.295 4.350 0.168 0.000 0.269 201 T C 1.764 176.442 174.700 -0.036 0.000 1.071 201 T CA 1.186 63.216 62.100 -0.117 0.000 1.132 201 T CB -0.470 68.255 68.868 -0.239 0.000 0.878 201 T HN 0.131 nan 8.240 nan 0.000 0.479 202 N N 1.271 119.782 118.700 -0.314 0.000 2.205 202 N HA -0.033 4.808 4.740 0.168 0.000 0.186 202 N C 1.834 176.828 175.510 -0.860 0.000 1.015 202 N CA 1.187 53.827 53.050 -0.682 0.000 0.862 202 N CB -0.346 37.501 38.487 -1.067 0.000 0.986 202 N HN 0.387 nan 8.380 nan 0.000 0.429 203 M N 0.527 119.825 119.600 -0.503 0.000 2.067 203 M HA -0.150 4.431 4.480 0.168 0.000 0.260 203 M C 2.204 178.417 176.300 -0.145 0.000 1.069 203 M CA 1.454 56.573 55.300 -0.301 0.000 1.117 203 M CB -0.976 31.733 32.600 0.182 0.000 1.334 203 M HN 0.096 nan 8.290 nan 0.000 0.407 204 Q N -0.214 119.665 119.800 0.131 0.000 2.123 204 Q HA -0.051 4.390 4.340 0.168 0.000 0.199 204 Q C 1.411 177.236 176.000 -0.293 0.000 0.966 204 Q CA 1.691 57.439 55.803 -0.092 0.000 0.845 204 Q CB -0.092 28.576 28.738 -0.117 0.000 0.907 204 Q HN 0.440 nan 8.270 nan 0.000 0.439 205 F N -1.479 118.380 119.950 -0.151 0.000 2.721 205 F HA 0.280 4.906 4.527 0.165 0.000 0.301 205 F C 1.246 176.888 175.800 -0.265 0.000 1.096 205 F CA 0.151 58.027 58.000 -0.206 0.000 1.308 205 F CB 0.636 39.523 39.000 -0.188 0.000 1.086 205 F HN 0.023 nan 8.300 nan 0.000 0.587 206 L N -2.159 118.945 121.223 -0.200 0.000 2.663 206 L HA 0.298 4.739 4.340 0.168 0.000 0.218 206 L C 2.531 179.287 176.870 -0.190 0.000 1.043 206 L CA 0.731 55.466 54.840 -0.175 0.000 0.876 206 L CB -0.906 41.021 42.059 -0.220 0.000 1.263 206 L HN 0.050 nan 8.230 nan 0.000 0.486 207 G N 0.616 109.140 108.800 -0.460 0.000 2.446 207 G HA2 -0.239 3.822 3.960 0.168 0.000 0.217 207 G HA3 -0.239 3.822 3.960 0.168 0.000 0.217 207 G C 1.501 176.103 174.900 -0.498 0.000 1.168 207 G CA 0.596 45.170 45.100 -0.877 0.000 0.771 207 G HN 0.154 nan 8.290 nan 0.000 0.551 208 L N 0.525 121.580 121.223 -0.279 0.000 2.141 208 L HA -0.002 4.439 4.340 0.168 0.000 0.209 208 L C 3.280 180.183 176.870 0.055 0.000 1.094 208 L CA 1.176 55.981 54.840 -0.058 0.000 0.763 208 L CB -0.346 41.674 42.059 -0.066 0.000 0.908 208 L HN 0.346 nan 8.230 nan 0.000 0.437 209 A N -0.166 122.632 122.820 -0.038 0.000 1.940 209 A HA -0.208 4.213 4.320 0.168 0.000 0.219 209 A C 2.452 180.073 177.584 0.062 0.000 1.176 209 A CA 1.676 53.715 52.037 0.002 0.000 0.631 209 A CB -0.607 18.369 19.000 -0.039 0.000 0.814 209 A HN 0.506 nan 8.150 nan 0.000 0.446 210 A N 0.023 122.898 122.820 0.091 0.000 1.902 210 A HA -0.178 4.243 4.320 0.168 0.000 0.217 210 A C 1.776 179.433 177.584 0.122 0.000 1.181 210 A CA 1.933 54.068 52.037 0.163 0.000 0.623 210 A CB -0.590 18.610 19.000 0.333 0.000 0.818 210 A HN 0.448 nan 8.150 nan 0.000 0.443 211 D N 0.040 120.521 120.400 0.136 0.000 2.117 211 D HA -0.024 4.717 4.640 0.168 0.000 0.197 211 D C 2.232 178.412 176.300 -0.199 0.000 0.987 211 D CA 1.480 55.515 54.000 0.057 0.000 0.829 211 D CB -0.445 40.465 40.800 0.183 0.000 0.961 211 D HN 0.412 nan 8.370 nan 0.000 0.460 212 A N 0.982 123.721 122.820 -0.135 0.000 1.902 212 A HA -0.081 4.340 4.320 0.168 0.000 0.217 212 A C 2.305 179.637 177.584 -0.419 0.000 1.181 212 A CA 2.305 54.119 52.037 -0.372 0.000 0.623 212 A CB -0.778 18.407 19.000 0.309 0.000 0.818 212 A HN 0.238 nan 8.150 nan 0.000 0.443 213 A N -0.390 122.298 122.820 -0.221 0.000 1.902 213 A HA -0.143 4.278 4.320 0.168 0.000 0.217 213 A C 1.917 179.361 177.584 -0.233 0.000 1.181 213 A CA 1.643 53.537 52.037 -0.238 0.000 0.623 213 A CB -0.427 18.624 19.000 0.084 0.000 0.818 213 A HN 0.481 nan 8.150 nan 0.000 0.443 214 E N 0.026 120.130 120.200 -0.161 0.000 2.110 214 E HA -0.124 4.327 4.350 0.168 0.000 0.193 214 E C 2.078 178.527 176.600 -0.253 0.000 0.988 214 E CA 1.206 57.522 56.400 -0.140 0.000 0.804 214 E CB -0.511 29.134 29.700 -0.092 0.000 0.745 214 E HN 0.590 nan 8.360 nan 0.000 0.458 215 A N 0.127 122.676 122.820 -0.452 0.000 2.235 215 A HA 0.221 4.642 4.320 0.168 0.000 0.208 215 A C 1.708 178.980 177.584 -0.519 0.000 1.172 215 A CA 1.104 52.789 52.037 -0.586 0.000 0.786 215 A CB -0.324 17.994 19.000 -1.136 0.000 0.804 215 A HN 0.294 nan 8.150 nan 0.000 0.479 216 G N -0.578 107.904 108.800 -0.529 0.000 2.136 216 G HA2 -0.239 3.822 3.960 0.168 0.000 0.242 216 G HA3 -0.239 3.822 3.960 0.168 0.000 0.242 216 G C -0.020 174.542 174.900 -0.564 0.000 0.989 216 G CA 0.360 45.175 45.100 -0.475 0.000 0.682 216 G HN 0.539 nan 8.290 nan 0.000 0.522 217 D N -0.140 119.883 120.400 -0.629 0.000 2.564 217 D HA 0.459 5.200 4.640 0.168 0.000 0.226 217 D C 1.172 177.350 176.300 -0.203 0.000 1.149 217 D CA -0.846 53.002 54.000 -0.253 0.000 0.994 217 D CB -0.191 40.601 40.800 -0.015 0.000 1.029 217 D HN 0.297 nan 8.370 nan 0.000 0.517 218 Y N 0.592 120.977 120.300 0.142 0.000 2.373 218 Y HA -0.096 4.495 4.550 0.068 0.000 0.293 218 Y C 2.487 178.510 175.900 0.205 0.000 1.129 218 Y CA 0.697 58.882 58.100 0.142 0.000 1.226 218 Y CB -0.328 38.192 38.460 0.099 0.000 1.000 218 Y HN 0.225 nan 8.280 nan 0.000 0.549 219 T N 0.481 115.259 114.554 0.373 0.000 2.635 219 T HA -0.261 4.190 4.350 0.168 0.000 0.267 219 T C 1.653 176.630 174.700 0.460 0.000 1.040 219 T CA 1.880 64.230 62.100 0.417 0.000 1.156 219 T CB -0.690 68.433 68.868 0.425 0.000 0.863 219 T HN 0.330 nan 8.240 nan 0.000 0.430 220 F N 1.836 121.968 119.950 0.302 0.000 2.128 220 F HA 0.128 4.746 4.527 0.152 0.000 0.295 220 F C 2.479 178.354 175.800 0.124 0.000 1.100 220 F CA 0.875 59.022 58.000 0.245 0.000 1.260 220 F CB -0.810 38.364 39.000 0.289 0.000 1.009 220 F HN 0.133 nan 8.300 nan 0.000 0.476 221 A N 0.216 123.126 122.820 0.149 0.000 1.917 221 A HA -0.310 4.111 4.320 0.168 0.000 0.219 221 A C 2.017 179.600 177.584 -0.002 0.000 1.182 221 A CA 2.203 54.246 52.037 0.009 0.000 0.633 221 A CB -1.335 17.714 19.000 0.082 0.000 0.819 221 A HN 0.574 nan 8.150 nan 0.000 0.448 222 N N -0.596 118.161 118.700 0.096 0.000 2.188 222 N HA -0.123 4.718 4.740 0.168 0.000 0.184 222 N C 1.569 177.072 175.510 -0.011 0.000 1.018 222 N CA 1.429 54.526 53.050 0.080 0.000 0.858 222 N CB -0.303 38.273 38.487 0.149 0.000 0.989 222 N HN 0.357 nan 8.380 nan 0.000 0.426 223 L N 1.238 122.427 121.223 -0.057 0.000 1.970 223 L HA -0.069 4.372 4.340 0.168 0.000 0.212 223 L C 2.011 178.738 176.870 -0.238 0.000 1.071 223 L CA 1.730 56.439 54.840 -0.219 0.000 0.751 223 L CB -0.821 41.023 42.059 -0.359 0.000 0.889 223 L HN 0.469 nan 8.230 nan 0.000 0.432 224 I N -2.454 117.924 120.570 -0.321 0.000 2.439 224 I HA -0.094 4.177 4.170 0.168 0.000 0.251 224 I C 2.345 178.415 176.117 -0.077 0.000 1.139 224 I CA 1.264 62.441 61.300 -0.204 0.000 1.438 224 I CB -0.900 36.800 38.000 -0.500 0.000 1.085 224 I HN 0.414 nan 8.210 nan 0.000 0.427 225 S N 0.600 116.241 115.700 -0.098 0.000 2.387 225 S HA -0.165 4.406 4.470 0.168 0.000 0.226 225 S C 2.176 176.738 174.600 -0.062 0.000 1.026 225 S CA 1.230 59.400 58.200 -0.049 0.000 0.972 225 S CB -0.636 62.559 63.200 -0.009 0.000 0.814 225 S HN 0.572 nan 8.310 nan 0.000 0.477 226 S N 1.724 117.381 115.700 -0.072 0.000 2.370 226 S HA -0.020 4.551 4.470 0.168 0.000 0.226 226 S C 1.803 176.336 174.600 -0.112 0.000 1.033 226 S CA 1.298 59.456 58.200 -0.070 0.000 1.011 226 S CB -0.739 62.424 63.200 -0.061 0.000 0.852 226 S HN 0.606 nan 8.310 nan 0.000 0.457 227 I N 1.041 121.492 120.570 -0.197 0.000 2.194 227 I HA -0.213 4.058 4.170 0.168 0.000 0.246 227 I C 2.745 178.601 176.117 -0.436 0.000 1.093 227 I CA 1.648 62.696 61.300 -0.421 0.000 1.355 227 I CB -0.365 37.284 38.000 -0.585 0.000 1.046 227 I HN 0.376 nan 8.210 nan 0.000 0.413 228 Q N 0.533 120.137 119.800 -0.325 0.000 2.297 228 Q HA -0.150 4.291 4.340 0.168 0.000 0.204 228 Q C 2.123 178.016 176.000 -0.177 0.000 0.962 228 Q CA 1.884 57.511 55.803 -0.295 0.000 0.879 228 Q CB -0.336 28.287 28.738 -0.191 0.000 0.947 228 Q HN 0.649 nan 8.270 nan 0.000 0.462 229 T N -2.350 112.136 114.554 -0.113 0.000 2.788 229 T HA -0.137 4.314 4.350 0.168 0.000 0.268 229 T C 1.184 175.821 174.700 -0.104 0.000 1.044 229 T CA 1.343 63.406 62.100 -0.062 0.000 1.139 229 T CB -0.252 68.605 68.868 -0.019 0.000 0.867 229 T HN 0.183 nan 8.240 nan 0.000 0.454 230 D N 1.311 121.662 120.400 -0.082 0.000 2.097 230 D HA -0.061 4.680 4.640 0.168 0.000 0.197 230 D C 2.124 178.200 176.300 -0.374 0.000 0.984 230 D CA 1.476 55.434 54.000 -0.069 0.000 0.826 230 D CB -0.517 40.418 40.800 0.225 0.000 0.973 230 D HN 0.555 nan 8.370 nan 0.000 0.460 231 E N 0.926 120.869 120.200 -0.427 0.000 2.070 231 E HA -0.166 4.285 4.350 0.168 0.000 0.197 231 E C 1.974 178.286 176.600 -0.481 0.000 1.004 231 E CA 1.562 57.546 56.400 -0.693 0.000 0.805 231 E CB -0.104 29.371 29.700 -0.375 0.000 0.744 231 E HN -0.025 nan 8.360 nan 0.000 0.451 232 S N -0.237 115.301 115.700 -0.269 0.000 2.400 232 S HA -0.215 4.356 4.470 0.168 0.000 0.232 232 S C 1.838 176.310 174.600 -0.214 0.000 1.025 232 S CA 1.405 59.535 58.200 -0.118 0.000 0.993 232 S CB -0.307 62.906 63.200 0.021 0.000 0.808 232 S HN 0.299 nan 8.310 nan 0.000 0.478 233 R N 0.983 121.152 120.500 -0.550 0.000 2.052 233 R HA -0.049 4.392 4.340 0.168 0.000 0.226 233 R C 2.420 178.539 176.300 -0.302 0.000 1.145 233 R CA 1.498 57.044 56.100 -0.923 0.000 0.952 233 R CB -0.409 29.300 30.300 -0.985 0.000 0.847 233 R HN 0.721 nan 8.270 nan 0.000 0.431 234 H N -1.487 117.520 119.070 -0.106 0.000 2.529 234 H HA 0.196 4.853 4.556 0.168 0.000 0.277 234 H C 1.499 176.877 175.328 0.083 0.000 0.999 234 H CA 0.610 56.674 56.048 0.027 0.000 1.256 234 H CB 0.088 29.885 29.762 0.058 0.000 1.402 234 H HN 0.325 nan 8.280 nan 0.000 0.566 235 A N 1.535 124.403 122.820 0.080 0.000 2.070 235 A HA -0.120 4.301 4.320 0.168 0.000 0.220 235 A C 2.025 179.744 177.584 0.225 0.000 1.159 235 A CA 0.776 52.923 52.037 0.182 0.000 0.656 235 A CB -0.227 18.820 19.000 0.078 0.000 0.800 235 A HN 0.299 nan 8.150 nan 0.000 0.453 236 Q N -0.158 119.758 119.800 0.193 0.000 2.431 236 Q HA -0.023 4.418 4.340 0.168 0.000 0.210 236 Q C 1.250 177.391 176.000 0.236 0.000 0.958 236 Q CA 0.513 56.449 55.803 0.223 0.000 0.957 236 Q CB -0.107 28.773 28.738 0.238 0.000 1.007 236 Q HN 0.806 nan 8.270 nan 0.000 0.511 237 Q N -1.264 118.708 119.800 0.286 0.000 2.311 237 Q HA -0.006 4.436 4.340 0.168 0.000 0.203 237 Q C 1.788 178.005 176.000 0.362 0.000 0.954 237 Q CA 0.962 56.982 55.803 0.363 0.000 0.885 237 Q CB 0.233 29.181 28.738 0.350 0.000 0.963 237 Q HN 0.406 nan 8.270 nan 0.000 0.471 238 G N 0.214 109.211 108.800 0.329 0.000 2.411 238 G HA2 -0.102 3.959 3.960 0.168 0.000 0.213 238 G HA3 -0.102 3.959 3.960 0.168 0.000 0.213 238 G C 1.315 176.336 174.900 0.202 0.000 1.166 238 G CA 0.547 45.848 45.100 0.335 0.000 0.802 238 G HN 0.427 nan 8.290 nan 0.000 0.533 239 G N 2.023 110.931 108.800 0.181 0.000 2.491 239 G HA2 -0.179 3.882 3.960 0.168 0.000 0.218 239 G HA3 -0.179 3.882 3.960 0.168 0.000 0.218 239 G C 0.334 175.199 174.900 -0.059 0.000 1.180 239 G CA 1.458 46.563 45.100 0.008 0.000 0.774 239 G HN 0.453 nan 8.290 nan 0.000 0.562 240 P HA 0.007 nan 4.420 nan 0.000 0.221 240 P C 1.935 179.204 177.300 -0.050 0.000 1.150 240 P CA 1.818 64.767 63.100 -0.252 0.000 0.800 240 P CB -0.104 31.164 31.700 -0.721 0.000 0.787 241 A N 0.041 122.977 122.820 0.194 0.000 1.897 241 A HA -0.129 4.292 4.320 0.168 0.000 0.215 241 A C 2.179 179.854 177.584 0.151 0.000 1.181 241 A CA 1.217 53.468 52.037 0.358 0.000 0.620 241 A CB -1.606 17.650 19.000 0.427 0.000 0.821 241 A HN 0.138 nan 8.150 nan 0.000 0.443 242 L N 0.156 121.400 121.223 0.036 0.000 2.012 242 L HA -0.227 4.214 4.340 0.168 0.000 0.210 242 L C 2.434 179.256 176.870 -0.080 0.000 1.073 242 L CA 2.415 57.214 54.840 -0.068 0.000 0.748 242 L CB -0.965 40.941 42.059 -0.254 0.000 0.891 242 L HN 0.526 nan 8.230 nan 0.000 0.431 243 Q N -0.837 118.909 119.800 -0.090 0.000 2.061 243 Q HA -0.242 4.199 4.340 0.168 0.000 0.204 243 Q C 2.386 178.333 176.000 -0.089 0.000 0.984 243 Q CA 2.008 57.755 55.803 -0.093 0.000 0.846 243 Q CB -0.369 28.311 28.738 -0.097 0.000 0.902 243 Q HN 0.544 nan 8.270 nan 0.000 0.421 244 L N 0.494 121.669 121.223 -0.080 0.000 2.012 244 L HA -0.224 4.217 4.340 0.168 0.000 0.210 244 L C 2.152 178.907 176.870 -0.191 0.000 1.073 244 L CA 1.116 55.865 54.840 -0.151 0.000 0.748 244 L CB -0.156 41.799 42.059 -0.174 0.000 0.891 244 L HN 0.261 nan 8.230 nan 0.000 0.431 245 L N -0.744 120.410 121.223 -0.116 0.000 2.042 245 L HA -0.286 4.155 4.340 0.168 0.000 0.210 245 L C 2.447 179.272 176.870 -0.075 0.000 1.076 245 L CA 1.551 56.343 54.840 -0.080 0.000 0.749 245 L CB -0.489 41.575 42.059 0.007 0.000 0.893 245 L HN 0.303 nan 8.230 nan 0.000 0.432 246 I N -0.381 120.146 120.570 -0.072 0.000 2.315 246 I HA -0.257 4.014 4.170 0.168 0.000 0.248 246 I C 2.339 178.411 176.117 -0.075 0.000 1.117 246 I CA 1.240 62.501 61.300 -0.066 0.000 1.404 246 I CB -0.237 37.722 38.000 -0.069 0.000 1.071 246 I HN 0.266 nan 8.210 nan 0.000 0.419 247 E N 0.632 120.775 120.200 -0.094 0.000 2.204 247 E HA -0.169 4.282 4.350 0.168 0.000 0.194 247 E C 0.708 177.246 176.600 -0.103 0.000 0.989 247 E CA 0.899 57.242 56.400 -0.095 0.000 0.824 247 E CB -0.148 29.488 29.700 -0.108 0.000 0.756 247 E HN 0.515 nan 8.360 nan 0.000 0.477 248 N N -0.737 117.888 118.700 -0.124 0.000 2.376 248 N HA 0.152 4.993 4.740 0.168 0.000 0.249 248 N C 0.103 175.567 175.510 -0.076 0.000 1.140 248 N CA 0.388 53.365 53.050 -0.121 0.000 0.870 248 N CB 1.461 39.834 38.487 -0.190 0.000 1.124 248 N HN 0.165 nan 8.380 nan 0.000 0.505 249 G N 0.661 109.427 108.800 -0.057 0.000 2.143 249 G HA2 -0.266 3.795 3.960 0.168 0.000 0.249 249 G HA3 -0.266 3.795 3.960 0.168 0.000 0.249 249 G C 0.530 175.418 174.900 -0.020 0.000 0.981 249 G CA -0.080 44.999 45.100 -0.034 0.000 0.665 249 G HN 0.209 nan 8.290 nan 0.000 0.528 250 K N 0.078 120.465 120.400 -0.021 0.000 2.593 250 K HA 0.281 4.702 4.320 0.168 0.000 0.208 250 K C 1.745 178.350 176.600 0.008 0.000 1.051 250 K CA -0.055 56.233 56.287 0.002 0.000 1.111 250 K CB 0.440 32.949 32.500 0.014 0.000 0.849 250 K HN 0.560 nan 8.250 nan 0.000 0.479 251 R N 1.709 122.206 120.500 -0.004 0.000 2.091 251 R HA -0.183 4.258 4.340 0.168 0.000 0.238 251 R C 0.693 177.006 176.300 0.023 0.000 1.136 251 R CA 1.954 58.052 56.100 -0.002 0.000 0.959 251 R CB 0.261 30.553 30.300 -0.014 0.000 0.856 251 R HN 0.017 nan 8.270 nan 0.000 0.437 252 E N 0.761 120.978 120.200 0.029 0.000 2.077 252 E HA -0.180 4.271 4.350 0.168 0.000 0.193 252 E C 1.897 178.543 176.600 0.077 0.000 0.989 252 E CA 1.773 58.204 56.400 0.051 0.000 0.800 252 E CB -0.163 29.562 29.700 0.042 0.000 0.746 252 E HN 0.483 nan 8.360 nan 0.000 0.452 253 E N 0.801 121.039 120.200 0.063 0.000 2.077 253 E HA -0.124 4.328 4.350 0.168 0.000 0.193 253 E C 1.976 178.634 176.600 0.095 0.000 0.989 253 E CA 1.299 57.743 56.400 0.074 0.000 0.800 253 E CB -0.407 29.325 29.700 0.054 0.000 0.746 253 E HN 0.310 nan 8.360 nan 0.000 0.452 254 A N 0.834 123.701 122.820 0.079 0.000 1.865 254 A HA -0.325 4.096 4.320 0.168 0.000 0.217 254 A C 2.249 179.906 177.584 0.121 0.000 1.191 254 A CA 2.003 54.091 52.037 0.085 0.000 0.623 254 A CB -0.737 18.286 19.000 0.037 0.000 0.826 254 A HN 0.230 nan 8.150 nan 0.000 0.444 255 Q N 0.031 119.898 119.800 0.111 0.000 2.096 255 Q HA -0.190 4.251 4.340 0.168 0.000 0.204 255 Q C 1.969 178.116 176.000 0.245 0.000 0.982 255 Q CA 2.381 58.270 55.803 0.144 0.000 0.850 255 Q CB -0.274 28.529 28.738 0.108 0.000 0.901 255 Q HN 0.687 nan 8.270 nan 0.000 0.422 256 K N -0.159 120.400 120.400 0.265 0.000 2.057 256 K HA -0.139 4.282 4.320 0.168 0.000 0.207 256 K C 2.166 178.991 176.600 0.375 0.000 1.049 256 K CA 1.514 58.038 56.287 0.395 0.000 0.931 256 K CB -0.067 32.604 32.500 0.285 0.000 0.714 256 K HN 0.156 nan 8.250 nan 0.000 0.440 257 K N 0.558 121.114 120.400 0.260 0.000 2.057 257 K HA -0.109 4.312 4.320 0.168 0.000 0.207 257 K C 2.105 178.902 176.600 0.328 0.000 1.049 257 K CA 1.223 57.661 56.287 0.250 0.000 0.931 257 K CB -0.141 32.472 32.500 0.190 0.000 0.714 257 K HN -0.073 nan 8.250 nan 0.000 0.440 258 V N 2.232 122.354 119.914 0.346 0.000 2.255 258 V HA -0.281 3.940 4.120 0.168 0.000 0.247 258 V C 1.671 178.042 176.094 0.461 0.000 1.051 258 V CA 2.012 64.572 62.300 0.433 0.000 1.018 258 V CB -0.489 31.602 31.823 0.447 0.000 0.641 258 V HN 0.303 nan 8.190 nan 0.000 0.445 259 D N -0.295 120.375 120.400 0.450 0.000 2.116 259 D HA -0.216 4.525 4.640 0.168 0.000 0.193 259 D C 2.105 178.840 176.300 0.725 0.000 0.998 259 D CA 1.702 56.018 54.000 0.526 0.000 0.836 259 D CB -0.424 40.670 40.800 0.490 0.000 0.951 259 D HN 0.342 nan 8.370 nan 0.000 0.449 260 M N 1.074 121.093 119.600 0.697 0.000 2.086 260 M HA -0.101 4.480 4.480 0.168 0.000 0.261 260 M C 2.040 178.626 176.300 0.476 0.000 1.067 260 M CA 1.755 57.419 55.300 0.607 0.000 1.116 260 M CB -0.574 32.269 32.600 0.404 0.000 1.348 260 M HN -0.024 nan 8.290 nan 0.000 0.407 261 A N 0.777 123.846 122.820 0.415 0.000 1.933 261 A HA -0.118 4.303 4.320 0.168 0.000 0.218 261 A C 2.165 179.983 177.584 0.391 0.000 1.175 261 A CA 1.657 53.920 52.037 0.377 0.000 0.628 261 A CB -0.905 18.300 19.000 0.341 0.000 0.814 261 A HN 0.624 nan 8.150 nan 0.000 0.444 262 I N -1.882 118.941 120.570 0.422 0.000 2.142 262 I HA -0.287 3.985 4.170 0.168 0.000 0.240 262 I C 2.558 178.839 176.117 0.274 0.000 1.078 262 I CA 1.525 63.063 61.300 0.398 0.000 1.343 262 I CB -0.397 37.886 38.000 0.472 0.000 1.046 262 I HN 0.685 nan 8.210 nan 0.000 0.405 263 W N 2.444 123.810 121.300 0.110 0.000 2.335 263 W HA -0.222 4.540 4.660 0.170 0.000 0.311 263 W C 2.694 179.235 176.519 0.036 0.000 1.213 263 W CA 1.571 58.870 57.345 -0.077 0.000 1.274 263 W CB -0.236 29.041 29.460 -0.303 0.000 1.148 263 W HN 0.106 nan 8.180 nan 0.000 0.498 264 R N 0.087 120.724 120.500 0.228 0.000 2.105 264 R HA -0.159 4.282 4.340 0.168 0.000 0.239 264 R C 2.341 178.446 176.300 -0.325 0.000 1.135 264 R CA 1.626 57.806 56.100 0.133 0.000 0.967 264 R CB -1.032 29.523 30.300 0.425 0.000 0.861 264 R HN 0.178 nan 8.270 nan 0.000 0.442 265 A N 1.207 123.784 122.820 -0.406 0.000 1.898 265 A HA -0.177 4.244 4.320 0.168 0.000 0.216 265 A C 1.932 178.877 177.584 -1.066 0.000 1.181 265 A CA 0.950 52.375 52.037 -1.020 0.000 0.620 265 A CB -0.985 17.665 19.000 -0.584 0.000 0.819 265 A HN 0.675 nan 8.150 nan 0.000 0.442 266 W N 0.850 121.506 121.300 -1.073 0.000 2.335 266 W HA -0.216 4.544 4.660 0.167 0.000 0.311 266 W C 1.993 178.255 176.519 -0.428 0.000 1.213 266 W CA 1.556 58.438 57.345 -0.770 0.000 1.274 266 W CB -0.192 28.953 29.460 -0.525 0.000 1.148 266 W HN 0.213 nan 8.180 nan 0.000 0.498 267 R N 0.615 120.599 120.500 -0.860 0.000 2.075 267 R HA -0.169 4.272 4.340 0.168 0.000 0.232 267 R C 2.197 178.246 176.300 -0.419 0.000 1.126 267 R CA 1.325 56.990 56.100 -0.725 0.000 0.963 267 R CB -1.503 28.563 30.300 -0.389 0.000 0.858 267 R HN 0.342 nan 8.270 nan 0.000 0.435 268 L N 0.027 120.992 121.223 -0.429 0.000 2.056 268 L HA -0.049 4.392 4.340 0.168 0.000 0.207 268 L C 2.003 178.764 176.870 -0.181 0.000 1.078 268 L CA 1.562 56.206 54.840 -0.328 0.000 0.749 268 L CB -0.548 41.211 42.059 -0.500 0.000 0.901 268 L HN -0.079 nan 8.230 nan 0.000 0.433 269 F N 0.056 119.764 119.950 -0.402 0.000 2.216 269 F HA -0.095 4.533 4.527 0.169 0.000 0.300 269 F C 2.498 178.220 175.800 -0.130 0.000 1.085 269 F CA 0.914 58.821 58.000 -0.155 0.000 1.326 269 F CB -1.190 37.839 39.000 0.048 0.000 1.027 269 F HN 0.202 nan 8.300 nan 0.000 0.497 270 A N -0.988 121.719 122.820 -0.188 0.000 2.019 270 A HA -0.111 4.310 4.320 0.168 0.000 0.219 270 A C 2.372 179.899 177.584 -0.095 0.000 1.164 270 A CA 1.672 53.520 52.037 -0.315 0.000 0.644 270 A CB -1.048 17.460 19.000 -0.820 0.000 0.805 270 A HN 0.235 nan 8.150 nan 0.000 0.449 271 V N -0.803 119.082 119.914 -0.048 0.000 2.878 271 V HA 0.048 4.269 4.120 0.168 0.000 0.250 271 V C 2.005 178.018 176.094 -0.134 0.000 1.075 271 V CA 1.266 63.531 62.300 -0.058 0.000 1.096 271 V CB -0.100 31.535 31.823 -0.314 0.000 0.724 271 V HN 0.549 nan 8.190 nan 0.000 0.467 272 L N -1.041 120.028 121.223 -0.256 0.000 2.262 272 L HA 0.044 4.485 4.340 0.168 0.000 0.197 272 L C 2.465 179.086 176.870 -0.416 0.000 1.073 272 L CA 1.526 56.146 54.840 -0.367 0.000 0.800 272 L CB -0.821 40.974 42.059 -0.440 0.000 0.987 272 L HN 0.211 nan 8.230 nan 0.000 0.470 273 T N -0.227 114.075 114.554 -0.420 0.000 2.937 273 T HA -0.015 4.436 4.350 0.168 0.000 0.260 273 T C 1.864 176.305 174.700 -0.432 0.000 1.051 273 T CA 0.995 62.898 62.100 -0.327 0.000 1.141 273 T CB -0.379 68.412 68.868 -0.129 0.000 0.879 273 T HN 0.456 nan 8.240 nan 0.000 0.459 274 G N 2.728 111.020 108.800 -0.847 0.000 2.491 274 G HA2 -0.188 3.873 3.960 0.168 0.000 0.218 274 G HA3 -0.188 3.873 3.960 0.168 0.000 0.218 274 G C -0.750 173.857 174.900 -0.488 0.000 1.180 274 G CA 0.786 45.034 45.100 -1.421 0.000 0.774 274 G HN 0.407 nan 8.290 nan 0.000 0.562 275 P HA 0.026 nan 4.420 nan 0.000 0.219 275 P C 2.060 178.961 177.300 -0.666 0.000 1.150 275 P CA 0.381 63.272 63.100 -0.349 0.000 0.814 275 P CB 0.031 31.536 31.700 -0.325 0.000 0.787 276 V N -1.018 118.504 119.914 -0.653 0.000 2.358 276 V HA -0.228 3.993 4.120 0.168 0.000 0.246 276 V C 2.307 178.308 176.094 -0.155 0.000 1.047 276 V CA 1.892 63.899 62.300 -0.488 0.000 1.035 276 V CB -0.872 30.770 31.823 -0.301 0.000 0.658 276 V HN 0.123 nan 8.190 nan 0.000 0.452 277 M N -0.931 118.628 119.600 -0.068 0.000 2.334 277 M HA -0.052 4.529 4.480 0.168 0.000 0.266 277 M C 1.276 177.648 176.300 0.120 0.000 1.082 277 M CA 1.297 56.675 55.300 0.130 0.000 1.141 277 M CB -0.121 32.678 32.600 0.331 0.000 1.380 277 M HN 0.265 nan 8.290 nan 0.000 0.440 278 D N -1.892 118.542 120.400 0.056 0.000 2.407 278 D HA 0.066 4.807 4.640 0.168 0.000 0.208 278 D C 0.611 176.598 176.300 -0.522 0.000 1.083 278 D CA 0.757 54.736 54.000 -0.036 0.000 0.844 278 D CB 0.520 41.364 40.800 0.074 0.000 0.967 278 D HN 0.304 nan 8.370 nan 0.000 0.506 279 Y N -2.101 118.060 120.300 -0.232 0.000 2.844 279 Y HA 0.176 4.827 4.550 0.168 0.000 0.256 279 Y C 1.598 177.494 175.900 -0.007 0.000 1.134 279 Y CA -0.234 57.705 58.100 -0.269 0.000 1.209 279 Y CB 0.299 38.387 38.460 -0.620 0.000 1.418 279 Y HN -0.070 nan 8.280 nan 0.000 0.459 280 Y N 0.176 120.524 120.300 0.079 0.000 2.243 280 Y HA -0.027 4.623 4.550 0.166 0.000 0.293 280 Y C 0.851 176.803 175.900 0.086 0.000 1.124 280 Y CA 0.569 58.719 58.100 0.084 0.000 1.159 280 Y CB -0.212 38.274 38.460 0.043 0.000 1.008 280 Y HN -0.191 nan 8.280 nan 0.000 0.527 281 T N 4.159 118.861 114.554 0.248 0.000 2.867 281 T HA 0.047 4.498 4.350 0.168 0.000 0.297 281 T C -2.375 172.356 174.700 0.053 0.000 0.989 281 T CA -1.020 61.215 62.100 0.226 0.000 1.159 281 T CB 0.526 69.513 68.868 0.198 0.000 0.928 281 T HN -0.056 nan 8.240 nan 0.000 0.538 282 P HA 0.003 nan 4.420 nan 0.000 0.265 282 P C 1.036 178.225 177.300 -0.184 0.000 1.187 282 P CA -0.416 62.654 63.100 -0.051 0.000 0.766 282 P CB 0.419 32.103 31.700 -0.027 0.000 0.820 283 L N 4.230 125.295 121.223 -0.264 0.000 1.997 283 L HA -0.234 4.207 4.340 0.168 0.000 0.216 283 L C 1.801 178.459 176.870 -0.353 0.000 1.074 283 L CA 2.107 56.686 54.840 -0.435 0.000 0.763 283 L CB -1.254 40.578 42.059 -0.380 0.000 0.890 283 L HN 0.490 nan 8.230 nan 0.000 0.434 284 E N -1.666 118.406 120.200 -0.214 0.000 2.511 284 E HA -0.141 4.310 4.350 0.168 0.000 0.196 284 E C 0.379 176.898 176.600 -0.135 0.000 1.066 284 E CA 0.841 57.147 56.400 -0.157 0.000 0.871 284 E CB -0.431 29.206 29.700 -0.105 0.000 0.863 284 E HN 0.591 nan 8.360 nan 0.000 0.520 285 D N 1.013 121.321 120.400 -0.153 0.000 2.398 285 D HA 0.088 4.829 4.640 0.168 0.000 0.210 285 D C -0.046 176.205 176.300 -0.081 0.000 1.094 285 D CA -0.126 53.798 54.000 -0.126 0.000 0.839 285 D CB 0.223 40.923 40.800 -0.165 0.000 0.963 285 D HN 0.106 nan 8.370 nan 0.000 0.506 286 R N 1.119 121.542 120.500 -0.129 0.000 2.325 286 R HA 0.139 4.580 4.340 0.168 0.000 0.323 286 R C 1.345 177.676 176.300 0.051 0.000 1.177 286 R CA -0.064 55.999 56.100 -0.062 0.000 1.018 286 R CB 0.811 30.918 30.300 -0.322 0.000 1.070 286 R HN -0.137 nan 8.270 nan 0.000 0.495 287 S N 2.814 118.596 115.700 0.138 0.000 2.359 287 S HA -0.149 4.422 4.470 0.168 0.000 0.224 287 S C 0.471 175.056 174.600 -0.024 0.000 1.035 287 S CA 1.450 59.717 58.200 0.111 0.000 1.018 287 S CB 0.323 63.685 63.200 0.270 0.000 0.876 287 S HN 0.594 nan 8.310 nan 0.000 0.448 288 Q N -0.153 119.572 119.800 -0.125 0.000 2.565 288 Q HA 0.405 4.846 4.340 0.168 0.000 0.294 288 Q C -0.831 175.211 176.000 0.070 0.000 1.005 288 Q CA -0.668 54.971 55.803 -0.273 0.000 0.771 288 Q CB 1.994 30.189 28.738 -0.905 0.000 1.486 288 Q HN 0.434 nan 8.270 nan 0.000 0.422 289 S N -0.347 115.436 115.700 0.138 0.000 2.600 289 S HA 0.120 4.691 4.470 0.168 0.000 0.265 289 S C 0.715 175.553 174.600 0.397 0.000 1.325 289 S CA -0.456 57.954 58.200 0.351 0.000 1.002 289 S CB 0.318 63.500 63.200 -0.030 0.000 0.921 289 S HN 0.660 nan 8.310 nan 0.000 0.554 290 F N 1.760 121.921 119.950 0.351 0.000 2.091 290 F HA -0.123 4.504 4.527 0.167 0.000 0.299 290 F C 2.430 178.375 175.800 0.242 0.000 1.103 290 F CA 2.280 60.443 58.000 0.272 0.000 1.228 290 F CB -0.427 38.556 39.000 -0.028 0.000 0.984 290 F HN 0.830 nan 8.300 nan 0.000 0.477 291 K N 0.289 120.794 120.400 0.176 0.000 2.057 291 K HA -0.212 4.209 4.320 0.168 0.000 0.207 291 K C 1.998 178.588 176.600 -0.017 0.000 1.049 291 K CA 1.886 58.189 56.287 0.027 0.000 0.931 291 K CB -0.332 32.241 32.500 0.122 0.000 0.714 291 K HN 0.389 nan 8.250 nan 0.000 0.440 292 E N -0.119 120.022 120.200 -0.098 0.000 2.058 292 E HA -0.186 4.265 4.350 0.168 0.000 0.194 292 E C 1.877 178.471 176.600 -0.010 0.000 0.997 292 E CA 1.752 58.066 56.400 -0.144 0.000 0.801 292 E CB -0.221 29.322 29.700 -0.261 0.000 0.746 292 E HN 0.328 nan 8.360 nan 0.000 0.450 293 F N 0.337 120.341 119.950 0.089 0.000 2.161 293 F HA -0.221 4.406 4.527 0.166 0.000 0.300 293 F C 2.410 178.316 175.800 0.178 0.000 1.089 293 F CA 0.836 58.958 58.000 0.203 0.000 1.282 293 F CB -0.083 39.083 39.000 0.277 0.000 1.010 293 F HN 0.028 nan 8.300 nan 0.000 0.485 294 M N -1.726 117.979 119.600 0.176 0.000 2.175 294 M HA -0.220 4.361 4.480 0.168 0.000 0.264 294 M C 1.889 178.223 176.300 0.057 0.000 1.063 294 M CA 1.684 57.001 55.300 0.028 0.000 1.119 294 M CB -0.625 31.828 32.600 -0.245 0.000 1.377 294 M HN 0.150 nan 8.290 nan 0.000 0.415 295 Y N 0.358 120.612 120.300 -0.077 0.000 2.293 295 Y HA -0.221 4.430 4.550 0.168 0.000 0.291 295 Y C 2.573 178.448 175.900 -0.041 0.000 1.137 295 Y CA 1.412 59.471 58.100 -0.068 0.000 1.202 295 Y CB -0.125 38.275 38.460 -0.100 0.000 0.990 295 Y HN 0.340 nan 8.280 nan 0.000 0.537 296 E N -0.568 119.684 120.200 0.087 0.000 2.028 296 E HA -0.226 4.225 4.350 0.168 0.000 0.191 296 E C 1.590 178.118 176.600 -0.120 0.000 0.988 296 E CA 1.702 58.045 56.400 -0.094 0.000 0.799 296 E CB -0.325 29.250 29.700 -0.208 0.000 0.755 296 E HN 0.511 nan 8.360 nan 0.000 0.447 297 W N -0.081 121.266 121.300 0.078 0.000 2.574 297 W HA 0.089 4.848 4.660 0.166 0.000 0.282 297 W C 2.120 178.643 176.519 0.006 0.000 1.197 297 W CA -0.365 57.004 57.345 0.041 0.000 1.376 297 W CB 0.222 29.695 29.460 0.022 0.000 1.091 297 W HN 0.135 nan 8.180 nan 0.000 0.569 298 I N -0.419 120.259 120.570 0.180 0.000 2.556 298 I HA -0.069 4.202 4.170 0.168 0.000 0.251 298 I C 1.989 178.246 176.117 0.232 0.000 1.105 298 I CA 1.143 62.513 61.300 0.116 0.000 1.436 298 I CB -1.429 36.506 38.000 -0.109 0.000 1.139 298 I HN -0.016 nan 8.210 nan 0.000 0.438 299 I N 0.969 121.584 120.570 0.075 0.000 2.206 299 I HA -0.082 4.189 4.170 0.168 0.000 0.239 299 I C 2.641 178.801 176.117 0.071 0.000 1.078 299 I CA 1.569 62.927 61.300 0.096 0.000 1.367 299 I CB -0.993 36.878 38.000 -0.215 0.000 1.078 299 I HN 0.184 nan 8.210 nan 0.000 0.413 300 G N -0.110 108.704 108.800 0.023 0.000 2.402 300 G HA2 -0.247 3.814 3.960 0.168 0.000 0.216 300 G HA3 -0.247 3.814 3.960 0.168 0.000 0.216 300 G C 1.568 176.467 174.900 -0.002 0.000 1.162 300 G CA 0.605 45.706 45.100 0.001 0.000 0.777 300 G HN 0.400 nan 8.290 nan 0.000 0.539 301 Q N -1.317 118.502 119.800 0.033 0.000 2.252 301 Q HA 0.121 4.562 4.340 0.168 0.000 0.195 301 Q C 2.200 178.255 176.000 0.091 0.000 0.974 301 Q CA 0.201 56.036 55.803 0.053 0.000 0.846 301 Q CB -0.248 28.539 28.738 0.082 0.000 0.943 301 Q HN 0.283 nan 8.270 nan 0.000 0.516 302 F N 1.982 121.952 119.950 0.033 0.000 2.075 302 F HA -0.163 4.465 4.527 0.168 0.000 0.297 302 F C 2.075 177.879 175.800 0.006 0.000 1.113 302 F CA 1.724 59.721 58.000 -0.006 0.000 1.218 302 F CB -0.153 38.807 39.000 -0.067 0.000 0.984 302 F HN 0.142 nan 8.300 nan 0.000 0.472 303 E N 0.287 120.378 120.200 -0.182 0.000 2.110 303 E HA -0.257 4.194 4.350 0.168 0.000 0.193 303 E C 2.293 178.707 176.600 -0.310 0.000 0.988 303 E CA 1.244 57.444 56.400 -0.334 0.000 0.804 303 E CB -0.491 29.147 29.700 -0.104 0.000 0.745 303 E HN 0.285 nan 8.360 nan 0.000 0.458 304 R N 1.380 121.776 120.500 -0.173 0.000 2.096 304 R HA -0.112 4.329 4.340 0.168 0.000 0.235 304 R C 2.342 178.558 176.300 -0.140 0.000 1.127 304 R CA 1.948 57.967 56.100 -0.135 0.000 0.968 304 R CB -0.654 29.601 30.300 -0.075 0.000 0.861 304 R HN 0.173 nan 8.270 nan 0.000 0.440 305 S N 0.133 115.741 115.700 -0.153 0.000 2.383 305 S HA -0.151 4.420 4.470 0.168 0.000 0.227 305 S C 2.049 176.597 174.600 -0.087 0.000 1.026 305 S CA 1.145 59.294 58.200 -0.085 0.000 0.981 305 S CB -0.668 62.523 63.200 -0.014 0.000 0.818 305 S HN 0.493 nan 8.310 nan 0.000 0.472 306 L N 0.631 121.712 121.223 -0.237 0.000 2.046 306 L HA 0.020 4.461 4.340 0.168 0.000 0.208 306 L C 2.425 179.205 176.870 -0.149 0.000 1.077 306 L CA 1.627 56.387 54.840 -0.134 0.000 0.747 306 L CB -0.373 41.486 42.059 -0.333 0.000 0.896 306 L HN 0.332 nan 8.230 nan 0.000 0.432 307 I N 0.181 120.638 120.570 -0.189 0.000 2.286 307 I HA -0.303 3.968 4.170 0.168 0.000 0.248 307 I C 1.982 178.031 176.117 -0.113 0.000 1.115 307 I CA 1.634 62.840 61.300 -0.157 0.000 1.392 307 I CB -0.345 37.553 38.000 -0.169 0.000 1.065 307 I HN 0.342 nan 8.210 nan 0.000 0.418 308 D N 0.692 121.034 120.400 -0.097 0.000 2.218 308 D HA -0.117 4.625 4.640 0.168 0.000 0.204 308 D C 1.983 178.241 176.300 -0.070 0.000 0.976 308 D CA 0.946 54.903 54.000 -0.071 0.000 0.853 308 D CB 0.046 40.815 40.800 -0.051 0.000 0.939 308 D HN 0.248 nan 8.370 nan 0.000 0.481 309 L N -1.352 119.823 121.223 -0.080 0.000 2.599 309 L HA 0.246 4.687 4.340 0.168 0.000 0.230 309 L C 1.547 178.350 176.870 -0.111 0.000 1.141 309 L CA 0.464 55.243 54.840 -0.101 0.000 0.877 309 L CB 0.091 42.061 42.059 -0.148 0.000 1.009 309 L HN 0.258 nan 8.230 nan 0.000 0.447 310 G N -0.188 108.552 108.800 -0.101 0.000 2.159 310 G HA2 -0.224 3.837 3.960 0.168 0.000 0.227 310 G HA3 -0.224 3.837 3.960 0.168 0.000 0.227 310 G C 0.178 175.022 174.900 -0.093 0.000 0.986 310 G CA -0.298 44.748 45.100 -0.091 0.000 0.651 310 G HN 0.174 nan 8.290 nan 0.000 0.523 311 L N 0.321 121.479 121.223 -0.108 0.000 2.448 311 L HA 0.561 5.002 4.340 0.168 0.000 0.258 311 L C 0.104 176.907 176.870 -0.111 0.000 1.104 311 L CA -0.938 53.845 54.840 -0.094 0.000 0.800 311 L CB 0.502 42.511 42.059 -0.082 0.000 1.241 311 L HN 0.013 nan 8.230 nan 0.000 0.472 312 D N 0.159 120.497 120.400 -0.105 0.000 2.217 312 D HA 0.236 4.977 4.640 0.168 0.000 0.248 312 D C -0.429 175.738 176.300 -0.223 0.000 1.008 312 D CA -0.562 53.353 54.000 -0.142 0.000 0.914 312 D CB 1.358 42.100 40.800 -0.097 0.000 1.182 312 D HN 0.255 nan 8.370 nan 0.000 0.451 313 K N 1.944 122.144 120.400 -0.332 0.000 2.524 313 K HA 0.059 4.480 4.320 0.168 0.000 0.279 313 K C -1.989 174.383 176.600 -0.380 0.000 0.993 313 K CA -0.661 55.301 56.287 -0.541 0.000 1.030 313 K CB 0.065 32.148 32.500 -0.694 0.000 0.891 313 K HN 0.240 nan 8.250 nan 0.000 0.488 314 P HA -0.124 nan 4.420 nan 0.000 0.270 314 P C 0.698 177.693 177.300 -0.510 0.000 1.223 314 P CA -0.119 62.661 63.100 -0.533 0.000 0.785 314 P CB 0.303 31.382 31.700 -1.035 0.000 0.923 315 W N 2.740 123.751 121.300 -0.482 0.000 2.392 315 W HA -0.183 4.579 4.660 0.170 0.000 0.279 315 W C 0.944 177.340 176.519 -0.205 0.000 1.225 315 W CA 0.751 57.914 57.345 -0.303 0.000 1.233 315 W CB -1.839 27.427 29.460 -0.322 0.000 1.122 315 W HN 0.340 nan 8.180 nan 0.000 0.561 316 Y N -3.237 116.560 120.300 -0.839 0.000 2.470 316 Y HA 0.228 4.879 4.550 0.168 0.000 0.284 316 Y C 2.203 178.011 175.900 -0.154 0.000 1.188 316 Y CA -1.923 55.692 58.100 -0.808 0.000 1.269 316 Y CB -1.638 35.846 38.460 -1.626 0.000 1.094 316 Y HN 0.015 nan 8.280 nan 0.000 0.518 317 W N 2.349 123.528 121.300 -0.202 0.000 2.302 317 W HA -0.294 4.467 4.660 0.168 0.000 0.320 317 W C 0.868 177.473 176.519 0.144 0.000 1.241 317 W CA 2.163 59.532 57.345 0.040 0.000 1.264 317 W CB -0.020 29.424 29.460 -0.026 0.000 1.154 317 W HN 0.256 nan 8.180 nan 0.000 0.483 318 D N 0.192 120.708 120.400 0.193 0.000 2.178 318 D HA -0.156 4.585 4.640 0.168 0.000 0.201 318 D C 2.216 178.556 176.300 0.067 0.000 0.980 318 D CA 1.355 55.407 54.000 0.085 0.000 0.842 318 D CB -0.655 40.211 40.800 0.110 0.000 0.948 318 D HN 0.280 nan 8.370 nan 0.000 0.472 319 L N -0.056 121.235 121.223 0.113 0.000 2.046 319 L HA -0.165 4.277 4.340 0.168 0.000 0.208 319 L C 2.395 179.403 176.870 0.230 0.000 1.077 319 L CA 0.704 55.630 54.840 0.143 0.000 0.747 319 L CB -0.439 41.651 42.059 0.053 0.000 0.896 319 L HN -0.036 nan 8.230 nan 0.000 0.432 320 F N 0.932 120.909 119.950 0.044 0.000 2.095 320 F HA -0.228 4.399 4.527 0.168 0.000 0.298 320 F C 2.202 177.775 175.800 -0.378 0.000 1.104 320 F CA 1.506 59.414 58.000 -0.152 0.000 1.232 320 F CB -0.472 38.347 39.000 -0.302 0.000 0.987 320 F HN -0.116 nan 8.300 nan 0.000 0.475 321 L N -0.011 120.918 121.223 -0.489 0.000 2.046 321 L HA -0.244 4.197 4.340 0.168 0.000 0.208 321 L C 2.604 179.357 176.870 -0.194 0.000 1.077 321 L CA 1.852 56.391 54.840 -0.502 0.000 0.747 321 L CB -0.788 41.064 42.059 -0.344 0.000 0.896 321 L HN 0.113 nan 8.230 nan 0.000 0.432 322 K N 0.220 120.594 120.400 -0.043 0.000 2.026 322 K HA -0.242 4.179 4.320 0.168 0.000 0.208 322 K C 1.773 178.455 176.600 0.137 0.000 1.048 322 K CA 1.909 58.242 56.287 0.077 0.000 0.929 322 K CB -0.058 32.512 32.500 0.116 0.000 0.713 322 K HN 0.118 nan 8.250 nan 0.000 0.439 323 D N 0.594 121.089 120.400 0.158 0.000 2.158 323 D HA -0.161 4.580 4.640 0.168 0.000 0.197 323 D C 1.711 178.221 176.300 0.350 0.000 0.995 323 D CA 1.060 55.251 54.000 0.319 0.000 0.846 323 D CB -0.044 41.063 40.800 0.512 0.000 0.941 323 D HN 0.279 nan 8.370 nan 0.000 0.456 324 I N 0.570 121.123 120.570 -0.030 0.000 2.361 324 I HA -0.224 4.048 4.170 0.168 0.000 0.251 324 I C 1.442 177.758 176.117 0.332 0.000 1.133 324 I CA 0.965 62.283 61.300 0.031 0.000 1.413 324 I CB -0.104 37.667 38.000 -0.382 0.000 1.073 324 I HN -0.065 nan 8.210 nan 0.000 0.424 325 D N 0.329 120.907 120.400 0.296 0.000 2.317 325 D HA -0.086 4.656 4.640 0.168 0.000 0.211 325 D C 1.761 178.319 176.300 0.430 0.000 0.966 325 D CA 0.991 55.242 54.000 0.418 0.000 0.876 325 D CB 0.208 41.216 40.800 0.345 0.000 0.927 325 D HN 0.511 nan 8.370 nan 0.000 0.519 326 E N -1.042 119.390 120.200 0.387 0.000 2.717 326 E HA 0.056 4.507 4.350 0.168 0.000 0.204 326 E C 1.584 178.324 176.600 0.234 0.000 0.911 326 E CA -0.328 56.323 56.400 0.419 0.000 1.370 326 E CB 0.152 30.142 29.700 0.483 0.000 1.315 326 E HN -0.080 nan 8.360 nan 0.000 0.643 327 L N 2.881 124.230 121.223 0.211 0.000 1.989 327 L HA -0.191 4.250 4.340 0.168 0.000 0.211 327 L C 2.519 179.236 176.870 -0.255 0.000 1.071 327 L CA 2.177 56.980 54.840 -0.063 0.000 0.749 327 L CB -0.595 41.387 42.059 -0.129 0.000 0.890 327 L HN 0.344 nan 8.230 nan 0.000 0.431 328 H N -2.515 116.383 119.070 -0.288 0.000 2.491 328 H HA -0.127 4.530 4.556 0.168 0.000 0.290 328 H C 1.819 176.993 175.328 -0.256 0.000 1.050 328 H CA 1.609 57.463 56.048 -0.323 0.000 1.309 328 H CB -0.899 28.571 29.762 -0.487 0.000 1.392 328 H HN 0.548 nan 8.280 nan 0.000 0.554 329 H N 0.616 119.199 119.070 -0.811 0.000 2.423 329 H HA 0.017 4.674 4.556 0.168 0.000 0.297 329 H C 2.090 177.200 175.328 -0.364 0.000 1.075 329 H CA 1.288 56.849 56.048 -0.812 0.000 1.342 329 H CB 0.202 28.889 29.762 -1.792 0.000 1.395 329 H HN 0.364 nan 8.280 nan 0.000 0.530 330 S N 0.107 115.799 115.700 -0.013 0.000 2.377 330 S HA -0.078 4.493 4.470 0.168 0.000 0.223 330 S C 1.888 176.641 174.600 0.254 0.000 1.030 330 S CA 0.307 58.678 58.200 0.286 0.000 0.970 330 S CB -0.116 63.297 63.200 0.354 0.000 0.830 330 S HN 0.311 nan 8.310 nan 0.000 0.473 331 Y N 1.622 121.952 120.300 0.051 0.000 2.128 331 Y HA -0.161 4.490 4.550 0.168 0.000 0.284 331 Y C 2.491 178.434 175.900 0.070 0.000 1.154 331 Y CA 1.232 59.347 58.100 0.026 0.000 1.149 331 Y CB -1.496 36.951 38.460 -0.020 0.000 0.976 331 Y HN 0.438 nan 8.280 nan 0.000 0.505 332 H N -0.216 118.924 119.070 0.116 0.000 2.289 332 H HA -0.259 4.398 4.556 0.169 0.000 0.294 332 H C 2.419 177.873 175.328 0.210 0.000 1.095 332 H CA 2.514 58.577 56.048 0.026 0.000 1.256 332 H CB -0.545 28.979 29.762 -0.397 0.000 1.359 332 H HN 0.309 nan 8.280 nan 0.000 0.487 333 M N -0.467 119.162 119.600 0.048 0.000 2.106 333 M HA -0.146 4.435 4.480 0.168 0.000 0.259 333 M C 2.430 178.837 176.300 0.178 0.000 1.068 333 M CA 2.162 57.498 55.300 0.061 0.000 1.100 333 M CB -0.404 32.218 32.600 0.037 0.000 1.351 333 M HN 0.492 nan 8.290 nan 0.000 0.404 334 G N -0.844 108.066 108.800 0.184 0.000 2.404 334 G HA2 -0.161 3.900 3.960 0.168 0.000 0.215 334 G HA3 -0.161 3.900 3.960 0.168 0.000 0.215 334 G C 1.312 176.335 174.900 0.205 0.000 1.174 334 G CA 0.944 46.163 45.100 0.199 0.000 0.780 334 G HN 0.392 nan 8.290 nan 0.000 0.537 335 V N -0.468 119.534 119.914 0.146 0.000 2.295 335 V HA -0.166 4.055 4.120 0.168 0.000 0.246 335 V C 2.251 178.444 176.094 0.164 0.000 1.049 335 V CA 1.946 64.363 62.300 0.195 0.000 1.024 335 V CB -0.579 31.466 31.823 0.371 0.000 0.648 335 V HN 0.630 nan 8.190 nan 0.000 0.447 336 W N -0.554 120.761 121.300 0.025 0.000 2.381 336 W HA -0.216 4.544 4.660 0.167 0.000 0.301 336 W C 2.490 179.036 176.519 0.045 0.000 1.205 336 W CA 1.607 58.962 57.345 0.016 0.000 1.285 336 W CB -0.373 29.087 29.460 0.001 0.000 1.133 336 W HN 0.322 nan 8.180 nan 0.000 0.521 337 Y N -1.100 119.300 120.300 0.166 0.000 2.242 337 Y HA -0.165 4.486 4.550 0.168 0.000 0.291 337 Y C 1.586 177.205 175.900 -0.468 0.000 1.137 337 Y CA 1.821 59.826 58.100 -0.158 0.000 1.181 337 Y CB -0.464 37.930 38.460 -0.110 0.000 0.989 337 Y HN -0.075 nan 8.280 nan 0.000 0.527 338 W N 2.714 123.919 121.300 -0.159 0.000 3.213 338 W HA 0.120 4.880 4.660 0.167 0.000 0.430 338 W C 1.357 177.677 176.519 -0.332 0.000 0.975 338 W CA -0.080 57.114 57.345 -0.252 0.000 2.015 338 W CB -0.110 29.197 29.460 -0.255 0.000 1.047 338 W HN 0.291 nan 8.180 nan 0.000 0.797 339 R N -0.659 119.626 120.500 -0.359 0.000 2.139 339 R HA -0.176 4.265 4.340 0.168 0.000 0.243 339 R C 1.754 177.789 176.300 -0.443 0.000 1.145 339 R CA 1.799 57.625 56.100 -0.457 0.000 0.976 339 R CB -1.244 28.675 30.300 -0.635 0.000 0.866 339 R HN -0.095 nan 8.270 nan 0.000 0.449 340 T N 1.136 115.450 114.554 -0.400 0.000 2.977 340 T HA -0.086 4.366 4.350 0.168 0.000 0.271 340 T C 1.628 176.067 174.700 -0.435 0.000 1.105 340 T CA 1.752 63.609 62.100 -0.404 0.000 1.116 340 T CB -0.341 68.321 68.868 -0.343 0.000 0.878 340 T HN 0.689 nan 8.240 nan 0.000 0.509 341 T N -1.279 113.146 114.554 -0.215 0.000 3.107 341 T HA 0.645 5.096 4.350 0.168 0.000 0.249 341 T C 0.526 175.291 174.700 0.108 0.000 1.096 341 T CA 0.101 62.211 62.100 0.015 0.000 1.012 341 T CB 0.050 69.096 68.868 0.298 0.000 0.977 341 T HN 0.346 nan 8.240 nan 0.000 0.527 342 A N 1.130 123.766 122.820 -0.307 0.000 2.295 342 A HA 0.595 5.016 4.320 0.168 0.000 0.318 342 A C 0.419 177.617 177.584 -0.643 0.000 1.134 342 A CA -1.062 50.453 52.037 -0.869 0.000 0.827 342 A CB 0.445 18.407 19.000 -1.730 0.000 1.136 342 A HN 0.739 nan 8.150 nan 0.000 0.493 343 W N -0.104 120.832 121.300 -0.608 0.000 3.290 343 W HA 0.428 5.187 4.660 0.165 0.000 0.287 343 W C 0.072 176.473 176.519 -0.197 0.000 1.288 343 W CA -0.610 56.427 57.345 -0.512 0.000 1.725 343 W CB -0.697 28.062 29.460 -1.168 0.000 1.103 343 W HN 0.618 nan 8.180 nan 0.000 0.670 344 W N 1.372 122.355 121.300 -0.527 0.000 2.758 344 W HA 0.606 5.368 4.660 0.170 0.000 0.355 344 W C -0.231 176.083 176.519 -0.342 0.000 1.223 344 W CA -1.380 55.726 57.345 -0.399 0.000 1.182 344 W CB 0.083 29.253 29.460 -0.484 0.000 1.464 344 W HN -0.368 nan 8.180 nan 0.000 0.630 345 N N 2.234 120.820 118.700 -0.190 0.000 2.699 345 N HA 0.292 5.133 4.740 0.168 0.000 0.232 345 N C -2.668 172.676 175.510 -0.277 0.000 1.027 345 N CA -1.650 51.231 53.050 -0.281 0.000 0.920 345 N CB 0.756 39.112 38.487 -0.219 0.000 1.148 345 N HN 0.015 nan 8.380 nan 0.000 0.509 346 P HA 0.028 nan 4.420 nan 0.000 0.265 346 P C -0.573 176.741 177.300 0.024 0.000 1.193 346 P CA -0.108 62.891 63.100 -0.169 0.000 0.765 346 P CB 0.595 32.390 31.700 0.158 0.000 0.823 347 A N 3.299 126.098 122.820 -0.034 0.000 2.301 347 A HA 0.529 4.950 4.320 0.168 0.000 0.298 347 A C 1.465 179.229 177.584 0.300 0.000 1.185 347 A CA 0.060 52.239 52.037 0.238 0.000 0.830 347 A CB 0.368 19.520 19.000 0.254 0.000 1.112 347 A HN 0.551 nan 8.150 nan 0.000 0.508 348 A N 2.261 124.994 122.820 -0.145 0.000 1.930 348 A HA 0.343 4.764 4.320 0.168 0.000 0.217 348 A C 1.914 179.131 177.584 -0.610 0.000 1.175 348 A CA 1.588 53.129 52.037 -0.828 0.000 0.627 348 A CB -1.001 16.906 19.000 -1.821 0.000 0.815 348 A HN 2.640 nan 8.150 nan 0.000 0.443 349 G N -1.481 107.018 108.800 -0.502 0.000 2.198 349 G HA2 -0.126 3.936 3.960 0.168 0.000 0.257 349 G HA3 -0.126 3.936 3.960 0.168 0.000 0.257 349 G C 0.490 175.131 174.900 -0.431 0.000 1.042 349 G CA 0.875 45.809 45.100 -0.276 0.000 0.791 349 G HN 1.845 nan 8.290 nan 0.000 0.502 350 V N -2.023 117.481 119.914 -0.683 0.000 2.838 350 V HA 0.602 4.823 4.120 0.168 0.000 0.363 350 V C 0.878 176.802 176.094 -0.284 0.000 1.324 350 V CA 0.369 62.331 62.300 -0.563 0.000 1.220 350 V CB -0.416 30.899 31.823 -0.846 0.000 1.328 350 V HN 0.947 nan 8.190 nan 0.000 0.595 351 T N -1.619 112.818 114.554 -0.196 0.000 2.813 351 T HA 0.387 4.838 4.350 0.168 0.000 0.297 351 T C -1.383 173.297 174.700 -0.033 0.000 1.036 351 T CA -0.883 61.201 62.100 -0.027 0.000 1.044 351 T CB 1.127 69.983 68.868 -0.021 0.000 0.993 351 T HN 0.214 nan 8.240 nan 0.000 0.535 352 P HA -0.069 nan 4.420 nan 0.000 0.218 352 P C 1.450 178.745 177.300 -0.008 0.000 1.148 352 P CA 0.969 64.083 63.100 0.023 0.000 0.822 352 P CB 0.091 31.817 31.700 0.044 0.000 0.784 353 E N -0.169 120.017 120.200 -0.024 0.000 2.110 353 E HA -0.214 4.237 4.350 0.168 0.000 0.193 353 E C 1.726 178.295 176.600 -0.052 0.000 0.988 353 E CA 1.096 57.477 56.400 -0.032 0.000 0.804 353 E CB -0.129 29.544 29.700 -0.045 0.000 0.745 353 E HN 0.300 nan 8.360 nan 0.000 0.458 354 E N -0.242 119.891 120.200 -0.111 0.000 2.107 354 E HA -0.101 4.350 4.350 0.168 0.000 0.191 354 E C 2.199 178.690 176.600 -0.181 0.000 0.982 354 E CA 0.513 56.813 56.400 -0.167 0.000 0.809 354 E CB 0.096 29.635 29.700 -0.269 0.000 0.756 354 E HN 0.146 nan 8.360 nan 0.000 0.459 355 R N 0.860 121.240 120.500 -0.200 0.000 2.075 355 R HA -0.121 4.320 4.340 0.168 0.000 0.232 355 R C 1.736 177.957 176.300 -0.131 0.000 1.126 355 R CA 1.352 57.294 56.100 -0.263 0.000 0.963 355 R CB -0.136 30.129 30.300 -0.058 0.000 0.858 355 R HN 0.132 nan 8.270 nan 0.000 0.435 356 D N -0.173 120.208 120.400 -0.032 0.000 2.133 356 D HA -0.225 4.516 4.640 0.168 0.000 0.195 356 D C 1.414 177.716 176.300 0.005 0.000 0.997 356 D CA 1.005 55.007 54.000 0.003 0.000 0.840 356 D CB -0.316 40.497 40.800 0.022 0.000 0.947 356 D HN 0.321 nan 8.370 nan 0.000 0.452 357 W N 1.245 122.438 121.300 -0.178 0.000 2.379 357 W HA -0.068 4.695 4.660 0.172 0.000 0.307 357 W C 2.082 178.471 176.519 -0.216 0.000 1.200 357 W CA 0.944 58.180 57.345 -0.183 0.000 1.297 357 W CB -0.439 28.906 29.460 -0.191 0.000 1.140 357 W HN -0.101 nan 8.180 nan 0.000 0.507 358 L N 0.613 121.763 121.223 -0.122 0.000 2.079 358 L HA -0.244 4.197 4.340 0.168 0.000 0.210 358 L C 2.420 179.123 176.870 -0.278 0.000 1.081 358 L CA 1.968 56.563 54.840 -0.409 0.000 0.752 358 L CB -0.821 40.576 42.059 -1.105 0.000 0.896 358 L HN 0.042 nan 8.230 nan 0.000 0.433 359 E N 0.239 120.338 120.200 -0.168 0.000 2.107 359 E HA -0.237 4.214 4.350 0.168 0.000 0.191 359 E C 2.023 178.575 176.600 -0.080 0.000 0.982 359 E CA 1.118 57.519 56.400 0.001 0.000 0.809 359 E CB 0.036 29.772 29.700 0.060 0.000 0.756 359 E HN 0.393 nan 8.360 nan 0.000 0.459 360 E N -0.219 119.868 120.200 -0.188 0.000 2.077 360 E HA -0.198 4.253 4.350 0.168 0.000 0.193 360 E C 1.375 177.738 176.600 -0.395 0.000 0.989 360 E CA 1.064 57.313 56.400 -0.252 0.000 0.800 360 E CB 0.121 29.662 29.700 -0.266 0.000 0.746 360 E HN 0.005 nan 8.360 nan 0.000 0.452 361 K N -0.353 119.671 120.400 -0.627 0.000 2.305 361 K HA -0.036 4.385 4.320 0.168 0.000 0.199 361 K C -0.060 175.907 176.600 -1.055 0.000 1.047 361 K CA 0.635 56.345 56.287 -0.963 0.000 0.976 361 K CB 0.288 31.941 32.500 -1.412 0.000 0.765 361 K HN 0.237 nan 8.250 nan 0.000 0.474 362 Y N 0.305 120.505 120.300 -0.166 0.000 2.520 362 Y HA 0.274 4.924 4.550 0.167 0.000 0.339 362 Y C -2.599 173.353 175.900 0.087 0.000 1.113 362 Y CA -2.744 55.366 58.100 0.016 0.000 1.255 362 Y CB 1.013 39.537 38.460 0.107 0.000 1.099 362 Y HN -0.123 nan 8.280 nan 0.000 0.628 363 P HA 0.136 nan 4.420 nan 0.000 0.262 363 P C 1.021 178.439 177.300 0.197 0.000 1.182 363 P CA 1.710 64.883 63.100 0.122 0.000 0.761 363 P CB 0.788 32.519 31.700 0.051 0.000 0.795 364 G N 2.020 110.942 108.800 0.204 0.000 2.195 364 G HA2 -0.268 3.793 3.960 0.168 0.000 0.224 364 G HA3 -0.268 3.793 3.960 0.168 0.000 0.224 364 G C 0.881 175.944 174.900 0.271 0.000 0.990 364 G CA 0.068 45.284 45.100 0.193 0.000 0.639 364 G HN 0.541 nan 8.290 nan 0.000 0.514 365 W N 1.558 122.976 121.300 0.196 0.000 2.318 365 W HA -0.079 4.683 4.660 0.170 0.000 0.313 365 W C 2.165 178.829 176.519 0.242 0.000 1.221 365 W CA 2.176 59.690 57.345 0.282 0.000 1.266 365 W CB -0.138 29.407 29.460 0.142 0.000 1.150 365 W HN 0.266 nan 8.180 nan 0.000 0.496 366 N N 0.166 119.176 118.700 0.518 0.000 2.381 366 N HA -0.133 4.709 4.740 0.168 0.000 0.182 366 N C 1.229 176.783 175.510 0.072 0.000 1.025 366 N CA 1.286 54.539 53.050 0.339 0.000 0.888 366 N CB -0.316 38.383 38.487 0.354 0.000 0.965 366 N HN 0.338 nan 8.380 nan 0.000 0.438 367 K N 0.157 120.580 120.400 0.039 0.000 2.444 367 K HA 0.123 4.544 4.320 0.168 0.000 0.193 367 K C 1.357 177.866 176.600 -0.151 0.000 1.024 367 K CA 0.158 56.424 56.287 -0.035 0.000 1.077 367 K CB 0.602 33.100 32.500 -0.004 0.000 0.833 367 K HN 0.095 nan 8.250 nan 0.000 0.517 368 R N -0.677 119.660 120.500 -0.272 0.000 1.895 368 R HA 0.171 4.612 4.340 0.168 0.000 0.129 368 R C 1.609 177.521 176.300 -0.647 0.000 2.021 368 R CA -0.318 55.451 56.100 -0.552 0.000 1.709 368 R CB -0.295 29.473 30.300 -0.885 0.000 1.397 368 R HN 0.109 nan 8.270 nan 0.000 0.484 369 W N 1.134 122.071 121.300 -0.605 0.000 2.342 369 W HA -0.093 4.669 4.660 0.171 0.000 0.297 369 W C 1.936 178.074 176.519 -0.635 0.000 1.213 369 W CA 1.258 58.209 57.345 -0.656 0.000 1.251 369 W CB -0.861 28.171 29.460 -0.712 0.000 1.136 369 W HN 0.555 nan 8.180 nan 0.000 0.526 370 G N 0.801 109.149 108.800 -0.753 0.000 2.507 370 G HA2 -0.290 3.771 3.960 0.168 0.000 0.221 370 G HA3 -0.290 3.771 3.960 0.168 0.000 0.221 370 G C 1.702 176.597 174.900 -0.008 0.000 1.119 370 G CA 0.866 45.834 45.100 -0.220 0.000 0.751 370 G HN 0.053 nan 8.290 nan 0.000 0.574 371 R N 0.064 120.493 120.500 -0.119 0.000 2.081 371 R HA -0.021 4.420 4.340 0.168 0.000 0.235 371 R C 2.675 178.922 176.300 -0.089 0.000 1.131 371 R CA 1.069 57.117 56.100 -0.088 0.000 0.960 371 R CB -1.491 28.726 30.300 -0.138 0.000 0.856 371 R HN 0.453 nan 8.270 nan 0.000 0.436 372 C N -1.214 117.983 119.300 -0.171 0.000 2.432 372 C HA -0.089 4.472 4.460 0.168 0.000 0.277 372 C C 2.469 177.347 174.990 -0.188 0.000 1.249 372 C CA 0.064 58.931 59.018 -0.252 0.000 1.725 372 C CB -1.209 26.276 27.740 -0.424 0.000 2.028 372 C HN 0.565 nan 8.230 nan 0.000 0.477 373 W N 1.130 122.431 121.300 0.003 0.000 2.519 373 W HA -0.054 4.708 4.660 0.170 0.000 0.266 373 W C 2.064 178.640 176.519 0.095 0.000 1.253 373 W CA 0.461 57.840 57.345 0.057 0.000 1.274 373 W CB -0.392 29.142 29.460 0.122 0.000 1.114 373 W HN 0.356 nan 8.180 nan 0.000 0.596 374 D N -0.006 120.551 120.400 0.262 0.000 2.097 374 D HA -0.166 4.575 4.640 0.168 0.000 0.195 374 D C 2.270 178.658 176.300 0.146 0.000 0.989 374 D CA 1.515 55.628 54.000 0.188 0.000 0.827 374 D CB -0.709 40.160 40.800 0.116 0.000 0.966 374 D HN -0.007 nan 8.370 nan 0.000 0.456 375 V N 1.230 121.197 119.914 0.087 0.000 2.295 375 V HA -0.214 4.007 4.120 0.168 0.000 0.246 375 V C 2.577 178.741 176.094 0.117 0.000 1.049 375 V CA 1.144 63.481 62.300 0.061 0.000 1.024 375 V CB -0.400 31.420 31.823 -0.006 0.000 0.648 375 V HN 0.156 nan 8.190 nan 0.000 0.447 376 I N 0.137 120.805 120.570 0.163 0.000 2.163 376 I HA -0.259 4.012 4.170 0.168 0.000 0.243 376 I C 2.577 178.902 176.117 0.345 0.000 1.085 376 I CA 2.031 63.496 61.300 0.275 0.000 1.347 376 I CB -0.651 37.542 38.000 0.322 0.000 1.044 376 I HN 0.319 nan 8.210 nan 0.000 0.408 377 T N 0.394 115.191 114.554 0.404 0.000 2.788 377 T HA -0.213 4.238 4.350 0.168 0.000 0.268 377 T C 1.739 176.562 174.700 0.206 0.000 1.044 377 T CA 1.674 64.025 62.100 0.418 0.000 1.139 377 T CB -0.370 68.770 68.868 0.453 0.000 0.867 377 T HN 0.601 nan 8.240 nan 0.000 0.454 378 E N 1.733 122.028 120.200 0.158 0.000 2.110 378 E HA -0.204 4.247 4.350 0.168 0.000 0.193 378 E C 1.726 178.356 176.600 0.050 0.000 0.988 378 E CA 1.534 57.985 56.400 0.085 0.000 0.804 378 E CB -0.527 29.214 29.700 0.068 0.000 0.745 378 E HN 0.593 nan 8.360 nan 0.000 0.458 379 N N 0.484 119.224 118.700 0.065 0.000 2.142 379 N HA -0.114 4.728 4.740 0.168 0.000 0.186 379 N C 1.940 177.433 175.510 -0.029 0.000 1.023 379 N CA 1.394 54.457 53.050 0.022 0.000 0.852 379 N CB 0.085 38.597 38.487 0.042 0.000 0.998 379 N HN -0.003 nan 8.380 nan 0.000 0.424 380 V N 1.393 121.296 119.914 -0.019 0.000 2.343 380 V HA -0.189 4.032 4.120 0.168 0.000 0.247 380 V C 2.096 178.101 176.094 -0.148 0.000 1.051 380 V CA 1.406 63.612 62.300 -0.155 0.000 1.036 380 V CB -0.562 31.143 31.823 -0.196 0.000 0.654 380 V HN 0.311 nan 8.190 nan 0.000 0.451 381 L N 0.049 121.225 121.223 -0.078 0.000 2.141 381 L HA -0.126 4.315 4.340 0.168 0.000 0.209 381 L C 1.620 178.453 176.870 -0.060 0.000 1.094 381 L CA 1.591 56.391 54.840 -0.066 0.000 0.763 381 L CB -0.499 41.548 42.059 -0.019 0.000 0.908 381 L HN 0.410 nan 8.230 nan 0.000 0.437 382 N N -0.686 117.982 118.700 -0.052 0.000 2.276 382 N HA -0.005 4.836 4.740 0.168 0.000 0.212 382 N C -0.314 175.156 175.510 -0.067 0.000 1.127 382 N CA -0.062 52.960 53.050 -0.047 0.000 0.834 382 N CB 0.148 38.618 38.487 -0.029 0.000 1.014 382 N HN 0.071 nan 8.380 nan 0.000 0.491 383 D N 1.097 121.438 120.400 -0.098 0.000 2.704 383 D HA -0.227 4.514 4.640 0.168 0.000 0.232 383 D C -0.753 175.482 176.300 -0.108 0.000 1.183 383 D CA 0.651 54.576 54.000 -0.125 0.000 0.647 383 D CB -0.478 40.260 40.800 -0.105 0.000 1.013 383 D HN 0.325 nan 8.370 nan 0.000 0.415 384 R N 1.046 121.486 120.500 -0.099 0.000 3.070 384 R HA 0.216 4.657 4.340 0.168 0.000 0.252 384 R C 1.194 177.428 176.300 -0.110 0.000 1.370 384 R CA -0.583 55.467 56.100 -0.085 0.000 1.482 384 R CB 0.393 30.661 30.300 -0.052 0.000 1.220 384 R HN 0.229 nan 8.270 nan 0.000 0.622 385 M N 1.025 120.535 119.600 -0.149 0.000 2.419 385 M HA -0.098 4.483 4.480 0.168 0.000 0.264 385 M C 1.258 177.462 176.300 -0.160 0.000 1.082 385 M CA 1.171 56.350 55.300 -0.202 0.000 1.119 385 M CB -0.472 31.979 32.600 -0.248 0.000 1.398 385 M HN 0.392 nan 8.290 nan 0.000 0.453 386 D N 0.466 120.793 120.400 -0.121 0.000 2.218 386 D HA -0.166 4.575 4.640 0.168 0.000 0.204 386 D C 1.710 177.950 176.300 -0.099 0.000 0.976 386 D CA 0.935 54.868 54.000 -0.111 0.000 0.853 386 D CB -0.705 40.046 40.800 -0.082 0.000 0.939 386 D HN 0.369 nan 8.370 nan 0.000 0.481 387 L N 0.435 121.620 121.223 -0.063 0.000 2.599 387 L HA 0.054 4.495 4.340 0.168 0.000 0.230 387 L C 1.397 178.293 176.870 0.043 0.000 1.141 387 L CA -0.003 54.836 54.840 -0.003 0.000 0.877 387 L CB 0.349 42.416 42.059 0.012 0.000 1.009 387 L HN -0.078 nan 8.230 nan 0.000 0.447 388 V N -2.505 117.349 119.914 -0.100 0.000 3.477 388 V HA 0.163 4.384 4.120 0.168 0.000 0.297 388 V C 0.584 176.265 176.094 -0.687 0.000 1.433 388 V CA 0.180 62.370 62.300 -0.183 0.000 1.052 388 V CB 0.830 32.655 31.823 0.003 0.000 0.895 388 V HN 0.146 nan 8.190 nan 0.000 0.438 389 S N 1.895 117.230 115.700 -0.608 0.000 2.513 389 S HA 0.634 5.205 4.470 0.168 0.000 0.299 389 S C -2.661 171.567 174.600 -0.619 0.000 1.087 389 S CA -0.829 56.947 58.200 -0.707 0.000 1.012 389 S CB 2.686 65.639 63.200 -0.412 0.000 1.044 389 S HN 0.204 nan 8.310 nan 0.000 0.485 390 P HA 0.441 nan 4.420 nan 0.000 0.281 390 P C -0.852 176.311 177.300 -0.229 0.000 1.264 390 P CA -0.516 62.316 63.100 -0.447 0.000 0.824 390 P CB 1.026 32.113 31.700 -1.022 0.000 1.092 391 E N -0.940 119.214 120.200 -0.078 0.000 2.812 391 E HA 0.222 4.673 4.350 0.168 0.000 0.211 391 E C 0.091 176.717 176.600 0.044 0.000 0.986 391 E CA -0.103 56.285 56.400 -0.021 0.000 1.119 391 E CB 0.946 30.634 29.700 -0.020 0.000 1.046 391 E HN 0.398 nan 8.360 nan 0.000 0.474 392 T N -0.648 113.980 114.554 0.123 0.000 2.648 392 T HA 0.480 4.931 4.350 0.168 0.000 0.304 392 T C -1.612 173.218 174.700 0.217 0.000 1.312 392 T CA -0.573 61.599 62.100 0.120 0.000 1.023 392 T CB 0.837 69.765 68.868 0.100 0.000 1.612 392 T HN -0.014 nan 8.240 nan 0.000 0.487 393 L N 2.438 123.649 121.223 -0.019 0.000 2.334 393 L HA 0.558 4.999 4.340 0.168 0.000 0.275 393 L C -1.941 174.727 176.870 -0.337 0.000 1.036 393 L CA -2.128 52.587 54.840 -0.208 0.000 0.807 393 L CB 1.491 43.297 42.059 -0.422 0.000 1.231 393 L HN 0.555 nan 8.230 nan 0.000 0.438 394 P HA 0.128 nan 4.420 nan 0.000 0.272 394 P C -0.868 176.176 177.300 -0.427 0.000 1.223 394 P CA -0.393 62.275 63.100 -0.719 0.000 0.784 394 P CB 0.606 31.679 31.700 -1.044 0.000 0.923 395 S N 0.096 115.618 115.700 -0.296 0.000 2.584 395 S HA 0.384 4.955 4.470 0.168 0.000 0.273 395 S C 0.089 174.567 174.600 -0.202 0.000 1.311 395 S CA -0.564 57.511 58.200 -0.207 0.000 1.034 395 S CB 0.569 63.666 63.200 -0.171 0.000 0.939 395 S HN 0.216 nan 8.310 nan 0.000 0.513 396 V N 1.520 121.350 119.914 -0.140 0.000 2.680 396 V HA 0.297 4.518 4.120 0.168 0.000 0.309 396 V C 0.255 176.326 176.094 -0.039 0.000 1.052 396 V CA -1.079 61.155 62.300 -0.109 0.000 0.908 396 V CB 1.772 33.533 31.823 -0.103 0.000 1.001 396 V HN 1.128 nan 8.190 nan 0.000 0.431 397 C N 4.046 123.345 119.300 -0.001 0.000 2.596 397 C HA 0.047 4.608 4.460 0.168 0.000 0.414 397 C C 1.852 176.839 174.990 -0.005 0.000 1.396 397 C CA -0.084 58.957 59.018 0.039 0.000 1.698 397 C CB -0.665 27.160 27.740 0.142 0.000 2.572 397 C HN 0.920 nan 8.230 nan 0.000 0.604 398 N N 3.202 121.822 118.700 -0.134 0.000 2.521 398 N HA -0.058 4.783 4.740 0.168 0.000 0.188 398 N C 1.000 176.602 175.510 0.153 0.000 1.146 398 N CA 0.651 53.671 53.050 -0.050 0.000 0.893 398 N CB 0.118 38.480 38.487 -0.208 0.000 0.975 398 N HN 0.800 nan 8.380 nan 0.000 0.451 399 M N 0.038 119.787 119.600 0.248 0.000 2.969 399 M HA 0.058 4.639 4.480 0.168 0.000 0.234 399 M C 1.941 178.213 176.300 -0.045 0.000 1.409 399 M CA 1.196 56.599 55.300 0.173 0.000 1.314 399 M CB -0.547 32.245 32.600 0.320 0.000 1.130 399 M HN -0.022 nan 8.290 nan 0.000 0.558 400 S N -0.678 115.068 115.700 0.077 0.000 2.489 400 S HA -0.011 4.560 4.470 0.168 0.000 0.228 400 S C 0.567 175.147 174.600 -0.033 0.000 0.995 400 S CA 0.630 58.846 58.200 0.027 0.000 0.934 400 S CB -0.313 62.926 63.200 0.065 0.000 0.771 400 S HN 0.634 nan 8.310 nan 0.000 0.522 401 Q N -0.564 119.215 119.800 -0.034 0.000 2.493 401 Q HA -0.132 4.309 4.340 0.168 0.000 0.260 401 Q C -0.475 175.567 176.000 0.070 0.000 0.905 401 Q CA 0.980 56.796 55.803 0.022 0.000 1.140 401 Q CB -2.666 26.096 28.738 0.041 0.000 1.435 401 Q HN 0.726 nan 8.270 nan 0.000 0.581 402 I N 0.236 120.805 120.570 -0.002 0.000 2.693 402 I HA 0.416 4.687 4.170 0.168 0.000 0.303 402 I C -2.130 173.894 176.117 -0.155 0.000 1.025 402 I CA -2.591 58.639 61.300 -0.117 0.000 1.086 402 I CB 1.752 39.554 38.000 -0.330 0.000 1.268 402 I HN -0.293 nan 8.210 nan 0.000 0.440 403 P HA 0.093 nan 4.420 nan 0.000 0.267 403 P C -0.879 176.412 177.300 -0.015 0.000 1.200 403 P CA -0.027 62.928 63.100 -0.242 0.000 0.772 403 P CB 0.356 31.806 31.700 -0.416 0.000 0.855 404 L N 2.887 124.095 121.223 -0.026 0.000 2.361 404 L HA 0.295 4.736 4.340 0.168 0.000 0.278 404 L C 0.621 177.523 176.870 0.053 0.000 1.113 404 L CA -0.144 54.727 54.840 0.052 0.000 0.849 404 L CB -0.003 42.057 42.059 0.003 0.000 1.155 404 L HN 0.190 nan 8.230 nan 0.000 0.452 405 V N 0.439 120.423 119.914 0.116 0.000 3.141 405 V HA 1.083 5.304 4.120 0.168 0.000 0.312 405 V C -0.059 176.089 176.094 0.090 0.000 1.157 405 V CA -0.280 62.084 62.300 0.107 0.000 1.041 405 V CB 1.712 33.630 31.823 0.158 0.000 1.071 405 V HN 0.728 nan 8.190 nan 0.000 0.441 406 G N -0.389 108.460 108.800 0.081 0.000 2.870 406 G HA2 0.596 4.657 3.960 0.168 0.000 0.299 406 G HA3 0.596 4.657 3.960 0.168 0.000 0.299 406 G C -1.431 173.495 174.900 0.044 0.000 1.324 406 G CA -0.551 44.569 45.100 0.033 0.000 0.808 406 G HN 1.086 nan 8.290 nan 0.000 0.535 407 V N 3.070 122.944 119.914 -0.067 0.000 2.432 407 V HA 0.397 4.619 4.120 0.168 0.000 0.271 407 V C -1.630 174.317 176.094 -0.245 0.000 1.046 407 V CA -0.891 61.263 62.300 -0.244 0.000 0.945 407 V CB 1.234 32.907 31.823 -0.250 0.000 0.992 407 V HN 0.581 nan 8.190 nan 0.000 0.471 408 P HA 0.549 nan 4.420 nan 0.000 0.301 408 P C 0.447 177.575 177.300 -0.285 0.000 1.309 408 P CA 0.534 63.511 63.100 -0.204 0.000 0.782 408 P CB 1.347 32.858 31.700 -0.315 0.000 1.282 409 G N 0.361 109.044 108.800 -0.195 0.000 2.528 409 G HA2 -0.273 3.788 3.960 0.168 0.000 0.262 409 G HA3 -0.273 3.788 3.960 0.168 0.000 0.262 409 G C 0.585 175.426 174.900 -0.097 0.000 1.200 409 G CA 0.715 45.706 45.100 -0.182 0.000 0.951 409 G HN 0.419 nan 8.290 nan 0.000 0.566 410 D N 1.643 121.982 120.400 -0.102 0.000 2.178 410 D HA 0.030 4.771 4.640 0.168 0.000 0.201 410 D C 1.516 177.806 176.300 -0.017 0.000 0.980 410 D CA 1.906 55.874 54.000 -0.052 0.000 0.842 410 D CB -0.105 40.666 40.800 -0.047 0.000 0.948 410 D HN 0.660 nan 8.370 nan 0.000 0.472 411 D N -0.909 119.473 120.400 -0.031 0.000 3.010 411 D HA -0.027 4.714 4.640 0.168 0.000 0.347 411 D C -0.335 175.977 176.300 0.019 0.000 1.340 411 D CA -0.923 53.077 54.000 -0.001 0.000 0.858 411 D CB -1.066 39.718 40.800 -0.026 0.000 1.111 411 D HN 0.042 nan 8.370 nan 0.000 0.482 412 W N 3.169 124.382 121.300 -0.146 0.000 2.551 412 W HA 0.024 4.785 4.660 0.168 0.000 0.336 412 W C -0.488 175.967 176.519 -0.106 0.000 1.158 412 W CA 0.478 57.733 57.345 -0.150 0.000 1.258 412 W CB -0.073 29.309 29.460 -0.130 0.000 1.157 412 W HN 0.400 nan 8.180 nan 0.000 0.562 413 N N 5.850 124.197 118.700 -0.588 0.000 2.554 413 N HA 0.491 5.332 4.740 0.168 0.000 0.271 413 N C -1.997 173.144 175.510 -0.615 0.000 1.081 413 N CA -0.977 51.636 53.050 -0.728 0.000 0.994 413 N CB 1.351 39.638 38.487 -0.334 0.000 1.641 413 N HN 0.494 nan 8.380 nan 0.000 0.511 414 I N 0.062 120.197 120.570 -0.726 0.000 2.686 414 I HA 0.563 4.834 4.170 0.168 0.000 0.295 414 I C -1.517 174.412 176.117 -0.312 0.000 1.114 414 I CA -0.488 60.579 61.300 -0.388 0.000 1.038 414 I CB 2.161 39.987 38.000 -0.290 0.000 1.238 414 I HN 0.793 nan 8.210 nan 0.000 0.420 415 E N 5.725 125.813 120.200 -0.186 0.000 2.278 415 E HA 0.506 4.957 4.350 0.168 0.000 0.272 415 E C -1.949 174.464 176.600 -0.313 0.000 0.890 415 E CA -0.652 55.562 56.400 -0.311 0.000 0.770 415 E CB 2.343 31.805 29.700 -0.396 0.000 1.212 415 E HN 0.421 nan 8.360 nan 0.000 0.415 416 V N 4.694 124.399 119.914 -0.349 0.000 2.472 416 V HA 0.422 4.643 4.120 0.168 0.000 0.290 416 V C -0.673 175.220 176.094 -0.334 0.000 1.037 416 V CA -0.493 61.697 62.300 -0.183 0.000 0.908 416 V CB 0.942 32.704 31.823 -0.101 0.000 0.985 416 V HN 0.551 nan 8.190 nan 0.000 0.454 417 F N 2.476 122.537 119.950 0.184 0.000 2.332 417 F HA 0.524 5.152 4.527 0.168 0.000 0.368 417 F C 0.790 176.769 175.800 0.300 0.000 1.110 417 F CA -0.073 58.055 58.000 0.214 0.000 1.087 417 F CB 1.404 40.531 39.000 0.213 0.000 1.235 417 F HN 0.405 nan 8.300 nan 0.000 0.470 418 S N 3.505 119.406 115.700 0.335 0.000 2.690 418 S HA 0.804 5.375 4.470 0.168 0.000 0.291 418 S C -1.272 173.479 174.600 0.252 0.000 1.138 418 S CA -0.656 57.717 58.200 0.289 0.000 1.013 418 S CB 2.006 65.355 63.200 0.249 0.000 1.053 418 S HN 0.490 nan 8.310 nan 0.000 0.539 419 L N 1.696 123.031 121.223 0.187 0.000 2.543 419 L HA 0.463 4.904 4.340 0.168 0.000 0.265 419 L C -1.295 175.688 176.870 0.189 0.000 0.945 419 L CA -0.160 54.790 54.840 0.183 0.000 0.869 419 L CB 1.771 43.939 42.059 0.181 0.000 1.294 419 L HN 0.660 nan 8.230 nan 0.000 0.405 420 E N 3.159 123.466 120.200 0.178 0.000 2.283 420 E HA 0.469 4.920 4.350 0.168 0.000 0.278 420 E C -1.341 175.448 176.600 0.316 0.000 1.027 420 E CA -0.370 56.156 56.400 0.211 0.000 0.843 420 E CB 1.065 30.842 29.700 0.128 0.000 1.062 420 E HN 0.589 nan 8.360 nan 0.000 0.401 421 H N 2.689 121.928 119.070 0.281 0.000 3.083 421 H HA 0.186 4.843 4.556 0.169 0.000 0.339 421 H C -0.947 174.563 175.328 0.302 0.000 1.020 421 H CA -0.642 55.575 56.048 0.283 0.000 1.360 421 H CB 0.427 30.369 29.762 0.300 0.000 1.811 421 H HN 0.420 nan 8.280 nan 0.000 0.493 422 N N 3.732 122.251 118.700 -0.302 0.000 2.725 422 N HA -0.154 4.687 4.740 0.168 0.000 0.251 422 N C 0.919 176.412 175.510 -0.029 0.000 1.031 422 N CA 1.910 54.818 53.050 -0.237 0.000 0.720 422 N CB -1.268 36.992 38.487 -0.378 0.000 0.930 422 N HN 1.323 nan 8.380 nan 0.000 0.543 423 G N -0.851 107.957 108.800 0.012 0.000 2.179 423 G HA2 -0.359 3.702 3.960 0.168 0.000 0.257 423 G HA3 -0.359 3.702 3.960 0.168 0.000 0.257 423 G C 0.063 174.974 174.900 0.019 0.000 1.010 423 G CA 0.779 45.891 45.100 0.020 0.000 0.736 423 G HN 0.779 nan 8.290 nan 0.000 0.513 424 R N -1.006 119.527 120.500 0.054 0.000 2.744 424 R HA 0.673 5.114 4.340 0.168 0.000 0.279 424 R C -1.061 175.177 176.300 -0.103 0.000 0.977 424 R CA -1.144 54.916 56.100 -0.067 0.000 0.906 424 R CB 1.028 31.243 30.300 -0.140 0.000 1.197 424 R HN 0.276 nan 8.270 nan 0.000 0.463 425 L N 4.473 125.551 121.223 -0.243 0.000 2.257 425 L HA 0.398 4.839 4.340 0.168 0.000 0.290 425 L C -1.634 174.894 176.870 -0.569 0.000 1.044 425 L CA -0.025 54.656 54.840 -0.265 0.000 0.810 425 L CB 0.448 42.390 42.059 -0.195 0.000 1.193 425 L HN 0.536 nan 8.230 nan 0.000 0.425 426 Y N 3.884 123.904 120.300 -0.466 0.000 2.457 426 Y HA 0.595 5.246 4.550 0.168 0.000 0.333 426 Y C 0.017 175.349 175.900 -0.947 0.000 1.119 426 Y CA -0.695 56.989 58.100 -0.694 0.000 1.143 426 Y CB 1.480 39.528 38.460 -0.685 0.000 1.230 426 Y HN 0.460 nan 8.280 nan 0.000 0.469 427 H N 2.172 120.945 119.070 -0.496 0.000 2.600 427 H HA 0.445 5.102 4.556 0.168 0.000 0.357 427 H C -1.534 173.441 175.328 -0.588 0.000 1.106 427 H CA -1.176 54.647 56.048 -0.376 0.000 1.193 427 H CB 1.627 31.284 29.762 -0.176 0.000 1.594 427 H HN 0.526 nan 8.280 nan 0.000 0.526 428 F N -0.867 119.234 119.950 0.252 0.000 2.577 428 F HA 0.370 4.998 4.527 0.168 0.000 0.318 428 F C 1.400 177.393 175.800 0.322 0.000 1.065 428 F CA -0.817 57.322 58.000 0.231 0.000 0.929 428 F CB 1.826 40.931 39.000 0.176 0.000 1.237 428 F HN 0.656 nan 8.300 nan 0.000 0.468 429 G N -0.081 109.011 108.800 0.486 0.000 2.985 429 G HA2 0.343 4.404 3.960 0.168 0.000 0.209 429 G HA3 0.343 4.404 3.960 0.168 0.000 0.209 429 G C -0.181 175.027 174.900 0.513 0.000 1.165 429 G CA 0.584 45.947 45.100 0.439 0.000 0.776 429 G HN 0.631 nan 8.290 nan 0.000 0.541 430 S N -2.109 113.845 115.700 0.424 0.000 2.615 430 S HA 0.367 4.938 4.470 0.168 0.000 0.269 430 S C 0.352 174.569 174.600 -0.638 0.000 1.161 430 S CA -0.632 57.560 58.200 -0.013 0.000 0.817 430 S CB 1.457 64.778 63.200 0.202 0.000 1.131 430 S HN -0.088 nan 8.310 nan 0.000 0.467 431 E N 0.615 120.079 120.200 -1.228 0.000 2.118 431 E HA -0.092 4.359 4.350 0.168 0.000 0.195 431 E C 1.981 178.385 176.600 -0.327 0.000 0.992 431 E CA 1.553 57.466 56.400 -0.812 0.000 0.804 431 E CB -0.398 29.011 29.700 -0.486 0.000 0.741 431 E HN 0.522 nan 8.360 nan 0.000 0.458 432 V N 1.759 121.338 119.914 -0.559 0.000 2.407 432 V HA -0.182 4.039 4.120 0.168 0.000 0.245 432 V C 1.958 177.886 176.094 -0.276 0.000 1.041 432 V CA 1.599 63.523 62.300 -0.627 0.000 1.040 432 V CB -0.442 30.116 31.823 -2.109 0.000 0.671 432 V HN 0.098 nan 8.190 nan 0.000 0.455 433 D N 0.201 120.472 120.400 -0.215 0.000 2.123 433 D HA -0.209 4.532 4.640 0.168 0.000 0.196 433 D C 2.288 178.351 176.300 -0.395 0.000 0.992 433 D CA 1.566 55.568 54.000 0.004 0.000 0.833 433 D CB -0.111 40.866 40.800 0.296 0.000 0.954 433 D HN 0.342 nan 8.370 nan 0.000 0.455 434 R N -0.172 120.003 120.500 -0.540 0.000 2.083 434 R HA -0.194 4.247 4.340 0.168 0.000 0.237 434 R C 2.264 178.344 176.300 -0.368 0.000 1.137 434 R CA 1.600 57.164 56.100 -0.894 0.000 0.951 434 R CB -0.467 29.640 30.300 -0.321 0.000 0.851 434 R HN 0.231 nan 8.270 nan 0.000 0.434 435 W N 0.416 121.561 121.300 -0.258 0.000 2.338 435 W HA -0.206 4.554 4.660 0.168 0.000 0.304 435 W C 1.741 178.231 176.519 -0.047 0.000 1.212 435 W CA 1.510 58.797 57.345 -0.097 0.000 1.264 435 W CB -0.416 29.075 29.460 0.052 0.000 1.142 435 W HN -0.106 nan 8.180 nan 0.000 0.512 436 V N 0.906 120.817 119.914 -0.005 0.000 2.332 436 V HA -0.339 3.882 4.120 0.168 0.000 0.248 436 V C 2.117 178.065 176.094 -0.244 0.000 1.055 436 V CA 2.213 64.412 62.300 -0.169 0.000 1.038 436 V CB -1.278 30.571 31.823 0.044 0.000 0.651 436 V HN 0.325 nan 8.190 nan 0.000 0.450 437 F N 0.560 120.213 119.950 -0.496 0.000 2.134 437 F HA -0.245 4.383 4.527 0.168 0.000 0.299 437 F C 2.529 178.172 175.800 -0.263 0.000 1.097 437 F CA 1.961 59.697 58.000 -0.440 0.000 1.264 437 F CB -0.108 38.533 39.000 -0.598 0.000 1.001 437 F HN 0.125 nan 8.300 nan 0.000 0.479 438 Q N -0.439 119.323 119.800 -0.063 0.000 2.364 438 Q HA -0.172 4.269 4.340 0.168 0.000 0.207 438 Q C 1.901 177.738 176.000 -0.272 0.000 0.970 438 Q CA 0.708 56.437 55.803 -0.123 0.000 0.888 438 Q CB -0.018 28.658 28.738 -0.103 0.000 0.951 438 Q HN 0.443 nan 8.270 nan 0.000 0.469 439 Q N 0.045 119.604 119.800 -0.401 0.000 2.311 439 Q HA -0.043 4.398 4.340 0.168 0.000 0.203 439 Q C 0.081 175.935 176.000 -0.244 0.000 0.954 439 Q CA 0.922 56.473 55.803 -0.420 0.000 0.885 439 Q CB 0.446 28.816 28.738 -0.613 0.000 0.963 439 Q HN 0.151 nan 8.270 nan 0.000 0.471 440 D N -1.417 118.865 120.400 -0.198 0.000 3.118 440 D HA 0.152 4.893 4.640 0.168 0.000 0.259 440 D C -2.241 173.859 176.300 -0.333 0.000 1.292 440 D CA -1.414 52.456 54.000 -0.218 0.000 0.784 440 D CB 0.782 41.462 40.800 -0.199 0.000 1.413 440 D HN -0.171 nan 8.370 nan 0.000 0.583 441 P HA -0.081 nan 4.420 nan 0.000 0.220 441 P C 1.609 178.663 177.300 -0.409 0.000 1.148 441 P CA 0.446 63.158 63.100 -0.647 0.000 0.803 441 P CB 0.493 31.857 31.700 -0.559 0.000 0.782 442 V N -0.276 119.477 119.914 -0.268 0.000 2.626 442 V HA -0.213 4.008 4.120 0.168 0.000 0.252 442 V C 2.660 178.593 176.094 -0.270 0.000 1.067 442 V CA 1.647 63.837 62.300 -0.183 0.000 1.081 442 V CB -1.233 30.513 31.823 -0.128 0.000 0.686 442 V HN 0.117 nan 8.190 nan 0.000 0.468 443 Q N -0.424 119.081 119.800 -0.492 0.000 2.167 443 Q HA -0.154 4.287 4.340 0.168 0.000 0.202 443 Q C 1.669 177.264 176.000 -0.675 0.000 0.970 443 Q CA 2.059 57.431 55.803 -0.718 0.000 0.855 443 Q CB -0.104 27.925 28.738 -1.183 0.000 0.911 443 Q HN 0.808 nan 8.270 nan 0.000 0.438 444 Y N -1.277 118.929 120.300 -0.157 0.000 2.467 444 Y HA 0.121 4.772 4.550 0.168 0.000 0.259 444 Y C 2.039 178.060 175.900 0.200 0.000 1.084 444 Y CA 0.031 58.143 58.100 0.022 0.000 1.275 444 Y CB -0.011 38.418 38.460 -0.051 0.000 1.208 444 Y HN 0.131 nan 8.280 nan 0.000 0.511 445 Q N 0.599 120.512 119.800 0.188 0.000 2.135 445 Q HA -0.174 4.267 4.340 0.168 0.000 0.204 445 Q C 0.537 176.876 176.000 0.565 0.000 0.981 445 Q CA 1.813 57.883 55.803 0.445 0.000 0.856 445 Q CB -0.394 28.581 28.738 0.396 0.000 0.902 445 Q HN 0.331 nan 8.270 nan 0.000 0.425 446 N N 0.064 118.987 118.700 0.372 0.000 2.230 446 N HA 0.001 4.842 4.740 0.168 0.000 0.202 446 N C -0.367 175.310 175.510 0.279 0.000 1.119 446 N CA 0.048 53.273 53.050 0.291 0.000 0.851 446 N CB 0.089 38.687 38.487 0.185 0.000 0.990 446 N HN 0.353 nan 8.380 nan 0.000 0.497 447 H N 1.065 120.322 119.070 0.312 0.000 2.848 447 H HA 0.141 4.798 4.556 0.168 0.000 0.341 447 H C -0.415 175.082 175.328 0.281 0.000 1.060 447 H CA 0.483 56.713 56.048 0.304 0.000 1.444 447 H CB 0.709 30.713 29.762 0.403 0.000 1.446 447 H HN -0.063 nan 8.280 nan 0.000 0.583 448 M N 5.430 124.740 119.600 -0.483 0.000 2.114 448 M HA 0.089 4.670 4.480 0.168 0.000 0.332 448 M C 0.144 176.322 176.300 -0.204 0.000 1.014 448 M CA -1.014 54.159 55.300 -0.211 0.000 0.956 448 M CB 1.151 33.682 32.600 -0.115 0.000 1.551 448 M HN 0.672 nan 8.290 nan 0.000 0.427 449 N N 2.671 121.396 118.700 0.043 0.000 2.294 449 N HA 0.106 4.947 4.740 0.168 0.000 0.248 449 N C 0.592 176.159 175.510 0.096 0.000 1.300 449 N CA -0.258 52.878 53.050 0.143 0.000 0.925 449 N CB 0.713 39.284 38.487 0.139 0.000 1.188 449 N HN 0.800 nan 8.380 nan 0.000 0.512 450 I N -0.409 120.243 120.570 0.137 0.000 2.361 450 I HA -0.216 4.055 4.170 0.168 0.000 0.251 450 I C 1.354 177.518 176.117 0.078 0.000 1.133 450 I CA 0.988 62.373 61.300 0.141 0.000 1.413 450 I CB 0.078 38.206 38.000 0.213 0.000 1.073 450 I HN 0.393 nan 8.210 nan 0.000 0.424 451 V N 0.949 120.885 119.914 0.037 0.000 2.379 451 V HA -0.244 3.977 4.120 0.168 0.000 0.245 451 V C 2.044 178.181 176.094 0.071 0.000 1.044 451 V CA 1.924 64.240 62.300 0.028 0.000 1.036 451 V CB -0.783 31.015 31.823 -0.042 0.000 0.664 451 V HN 0.425 nan 8.190 nan 0.000 0.453 452 D N 0.305 120.724 120.400 0.031 0.000 2.133 452 D HA -0.207 4.534 4.640 0.168 0.000 0.195 452 D C 2.343 178.648 176.300 0.008 0.000 0.997 452 D CA 1.483 55.487 54.000 0.006 0.000 0.840 452 D CB -0.255 40.531 40.800 -0.024 0.000 0.947 452 D HN 0.435 nan 8.370 nan 0.000 0.452 453 R N -0.356 120.150 120.500 0.010 0.000 2.066 453 R HA -0.091 4.350 4.340 0.168 0.000 0.232 453 R C 2.378 178.652 176.300 -0.044 0.000 1.131 453 R CA 0.684 56.764 56.100 -0.034 0.000 0.955 453 R CB -0.592 29.668 30.300 -0.067 0.000 0.851 453 R HN 0.152 nan 8.270 nan 0.000 0.432 454 F N 1.698 121.563 119.950 -0.143 0.000 2.091 454 F HA -0.215 4.413 4.527 0.169 0.000 0.299 454 F C 1.908 177.659 175.800 -0.082 0.000 1.103 454 F CA 1.614 59.541 58.000 -0.122 0.000 1.228 454 F CB -0.137 38.812 39.000 -0.086 0.000 0.984 454 F HN -0.089 nan 8.300 nan 0.000 0.477 455 L N -0.619 120.648 121.223 0.073 0.000 2.217 455 L HA -0.056 4.385 4.340 0.168 0.000 0.211 455 L C 2.387 179.212 176.870 -0.074 0.000 1.107 455 L CA 0.816 55.647 54.840 -0.014 0.000 0.783 455 L CB -0.859 41.224 42.059 0.040 0.000 0.919 455 L HN 0.186 nan 8.230 nan 0.000 0.442 456 A N -0.422 122.356 122.820 -0.069 0.000 2.238 456 A HA 0.328 4.749 4.320 0.168 0.000 0.208 456 A C 1.750 179.278 177.584 -0.094 0.000 1.177 456 A CA 0.743 52.738 52.037 -0.070 0.000 0.804 456 A CB -0.411 18.559 19.000 -0.051 0.000 0.823 456 A HN 0.507 nan 8.150 nan 0.000 0.482 457 G N -1.109 107.601 108.800 -0.150 0.000 2.176 457 G HA2 -0.297 3.764 3.960 0.168 0.000 0.232 457 G HA3 -0.297 3.764 3.960 0.168 0.000 0.232 457 G C 0.716 175.532 174.900 -0.139 0.000 0.986 457 G CA 0.444 45.454 45.100 -0.151 0.000 0.643 457 G HN 0.580 nan 8.290 nan 0.000 0.522 458 Q N -0.495 119.218 119.800 -0.145 0.000 2.432 458 Q HA 0.350 4.791 4.340 0.168 0.000 0.205 458 Q C 0.861 176.745 176.000 -0.194 0.000 0.945 458 Q CA 0.576 56.306 55.803 -0.122 0.000 0.924 458 Q CB 0.665 29.346 28.738 -0.096 0.000 1.016 458 Q HN 0.651 nan 8.270 nan 0.000 0.503 459 I N 1.944 122.353 120.570 -0.269 0.000 2.355 459 I HA 0.199 4.470 4.170 0.168 0.000 0.288 459 I C -0.601 175.423 176.117 -0.155 0.000 0.999 459 I CA -0.608 60.538 61.300 -0.257 0.000 1.163 459 I CB 1.271 39.113 38.000 -0.262 0.000 1.316 459 I HN -0.062 nan 8.210 nan 0.000 0.454 460 Q N 7.210 126.990 119.800 -0.034 0.000 2.323 460 Q HA 0.517 4.958 4.340 0.168 0.000 0.271 460 Q C -2.365 173.661 176.000 0.044 0.000 1.048 460 Q CA -1.709 54.081 55.803 -0.022 0.000 0.792 460 Q CB 2.447 31.175 28.738 -0.017 0.000 1.280 460 Q HN 0.371 nan 8.270 nan 0.000 0.441 461 P HA 0.207 nan 4.420 nan 0.000 0.274 461 P C -0.377 176.908 177.300 -0.025 0.000 1.256 461 P CA -0.476 62.622 63.100 -0.002 0.000 0.795 461 P CB 0.799 32.511 31.700 0.020 0.000 1.038 462 M N 1.706 121.233 119.600 -0.122 0.000 3.422 462 M HA 0.143 4.724 4.480 0.168 0.000 0.248 462 M C -0.582 175.744 176.300 0.043 0.000 1.433 462 M CA 0.155 55.256 55.300 -0.333 0.000 1.592 462 M CB -1.140 31.142 32.600 -0.530 0.000 1.078 462 M HN 0.537 nan 8.290 nan 0.000 0.578 463 T N -1.729 112.999 114.554 0.290 0.000 2.864 463 T HA 0.294 4.745 4.350 0.168 0.000 0.299 463 T C 0.323 175.203 174.700 0.300 0.000 1.166 463 T CA -1.060 61.211 62.100 0.286 0.000 1.007 463 T CB 1.280 70.231 68.868 0.140 0.000 1.219 463 T HN 0.411 nan 8.240 nan 0.000 0.506 464 L N 0.749 122.072 121.223 0.167 0.000 2.046 464 L HA 0.097 4.538 4.340 0.168 0.000 0.208 464 L C 2.529 179.469 176.870 0.117 0.000 1.077 464 L CA 2.207 57.106 54.840 0.099 0.000 0.747 464 L CB -0.714 41.367 42.059 0.036 0.000 0.896 464 L HN 0.959 nan 8.230 nan 0.000 0.432 465 E N -0.683 119.578 120.200 0.102 0.000 2.077 465 E HA -0.183 4.268 4.350 0.168 0.000 0.193 465 E C 2.111 178.803 176.600 0.153 0.000 0.989 465 E CA 1.135 57.595 56.400 0.101 0.000 0.800 465 E CB -0.504 29.240 29.700 0.073 0.000 0.746 465 E HN 0.653 nan 8.360 nan 0.000 0.452 466 G N 0.601 109.504 108.800 0.171 0.000 2.440 466 G HA2 -0.298 3.763 3.960 0.168 0.000 0.218 466 G HA3 -0.298 3.763 3.960 0.168 0.000 0.218 466 G C 1.635 176.697 174.900 0.270 0.000 1.154 466 G CA 0.977 46.193 45.100 0.192 0.000 0.767 466 G HN 0.418 nan 8.290 nan 0.000 0.552 467 A N 0.511 123.514 122.820 0.306 0.000 1.902 467 A HA 0.113 4.534 4.320 0.168 0.000 0.217 467 A C 2.443 180.249 177.584 0.371 0.000 1.181 467 A CA 1.276 53.517 52.037 0.340 0.000 0.623 467 A CB -0.402 18.739 19.000 0.236 0.000 0.818 467 A HN 0.354 nan 8.150 nan 0.000 0.443 468 L N -0.692 120.709 121.223 0.296 0.000 2.083 468 L HA -0.199 4.242 4.340 0.168 0.000 0.209 468 L C 2.562 179.704 176.870 0.454 0.000 1.083 468 L CA 1.284 56.341 54.840 0.362 0.000 0.752 468 L CB -0.381 41.773 42.059 0.159 0.000 0.899 468 L HN 0.218 nan 8.230 nan 0.000 0.433 469 K N -0.548 120.052 120.400 0.334 0.000 2.025 469 K HA -0.204 4.218 4.320 0.168 0.000 0.207 469 K C 2.081 178.854 176.600 0.290 0.000 1.049 469 K CA 1.467 57.930 56.287 0.293 0.000 0.933 469 K CB -0.662 31.971 32.500 0.222 0.000 0.714 469 K HN 0.238 nan 8.250 nan 0.000 0.438 470 Y N 1.536 121.953 120.300 0.196 0.000 2.193 470 Y HA -0.165 4.486 4.550 0.169 0.000 0.285 470 Y C 2.008 178.014 175.900 0.177 0.000 1.166 470 Y CA 1.649 59.850 58.100 0.170 0.000 1.181 470 Y CB -0.222 38.344 38.460 0.178 0.000 0.976 470 Y HN -0.022 nan 8.280 nan 0.000 0.520 471 M N -0.754 119.010 119.600 0.273 0.000 2.686 471 M HA 0.049 4.630 4.480 0.168 0.000 0.246 471 M C 1.608 177.934 176.300 0.043 0.000 1.096 471 M CA 1.271 56.682 55.300 0.185 0.000 1.076 471 M CB -0.268 32.587 32.600 0.424 0.000 1.504 471 M HN 0.587 nan 8.290 nan 0.000 0.524 472 G N 0.137 108.963 108.800 0.043 0.000 2.176 472 G HA2 -0.231 3.830 3.960 0.168 0.000 0.232 472 G HA3 -0.231 3.830 3.960 0.168 0.000 0.232 472 G C -0.074 174.853 174.900 0.044 0.000 0.986 472 G CA -0.669 44.406 45.100 -0.042 0.000 0.643 472 G HN 0.348 nan 8.290 nan 0.000 0.522 473 F N 1.307 121.478 119.950 0.369 0.000 2.538 473 F HA 0.430 5.058 4.527 0.167 0.000 0.371 473 F C 1.711 177.657 175.800 0.244 0.000 1.087 473 F CA 0.781 59.020 58.000 0.399 0.000 1.250 473 F CB 0.973 40.133 39.000 0.266 0.000 1.110 473 F HN 0.123 nan 8.300 nan 0.000 0.570 474 Q N 0.931 120.961 119.800 0.383 0.000 2.281 474 Q HA 0.161 4.602 4.340 0.168 0.000 0.215 474 Q C -0.075 176.050 176.000 0.208 0.000 0.867 474 Q CA -0.013 55.927 55.803 0.229 0.000 0.940 474 Q CB 0.697 29.522 28.738 0.144 0.000 1.111 474 Q HN 0.710 nan 8.270 nan 0.000 0.513 475 S N -1.795 114.056 115.700 0.251 0.000 2.625 475 S HA 0.313 4.884 4.470 0.168 0.000 0.271 475 S C 0.287 174.978 174.600 0.152 0.000 1.161 475 S CA -0.867 57.435 58.200 0.170 0.000 0.820 475 S CB 0.557 63.843 63.200 0.142 0.000 1.137 475 S HN 0.156 nan 8.310 nan 0.000 0.470 476 I N 0.989 121.612 120.570 0.088 0.000 2.394 476 I HA -0.082 4.189 4.170 0.168 0.000 0.251 476 I C 1.946 178.078 176.117 0.026 0.000 1.136 476 I CA 1.628 62.950 61.300 0.036 0.000 1.425 476 I CB -0.194 37.815 38.000 0.015 0.000 1.079 476 I HN 0.854 nan 8.210 nan 0.000 0.425 477 E N 0.836 121.075 120.200 0.065 0.000 2.204 477 E HA -0.236 4.215 4.350 0.168 0.000 0.195 477 E C 1.915 178.567 176.600 0.088 0.000 0.990 477 E CA 1.259 57.699 56.400 0.067 0.000 0.821 477 E CB -0.117 29.639 29.700 0.094 0.000 0.750 477 E HN 0.595 nan 8.360 nan 0.000 0.477 478 E N -0.048 120.252 120.200 0.168 0.000 2.274 478 E HA -0.037 4.414 4.350 0.168 0.000 0.194 478 E C 0.204 176.859 176.600 0.091 0.000 0.996 478 E CA 0.300 56.861 56.400 0.268 0.000 0.840 478 E CB 0.000 30.057 29.700 0.594 0.000 0.772 478 E HN 0.310 nan 8.360 nan 0.000 0.491 479 M N 0.930 120.433 119.600 -0.161 0.000 2.233 479 M HA 0.179 4.760 4.480 0.168 0.000 0.350 479 M C 0.781 176.860 176.300 -0.368 0.000 1.176 479 M CA -0.357 54.626 55.300 -0.530 0.000 1.150 479 M CB 0.721 32.924 32.600 -0.662 0.000 1.530 479 M HN -0.082 nan 8.290 nan 0.000 0.459 480 G N 2.743 111.272 108.800 -0.453 0.000 2.491 480 G HA2 0.297 4.358 3.960 0.168 0.000 0.238 480 G HA3 0.297 4.358 3.960 0.168 0.000 0.238 480 G C -0.447 174.225 174.900 -0.379 0.000 1.277 480 G CA -0.497 44.344 45.100 -0.432 0.000 0.851 480 G HN 0.702 nan 8.290 nan 0.000 0.573 481 K N 0.288 120.490 120.400 -0.331 0.000 2.433 481 K HA 0.210 4.631 4.320 0.168 0.000 0.252 481 K C -0.761 175.644 176.600 -0.324 0.000 1.015 481 K CA -0.930 55.179 56.287 -0.297 0.000 0.860 481 K CB 2.128 34.509 32.500 -0.198 0.000 1.359 481 K HN 0.626 nan 8.250 nan 0.000 0.452 482 D N 0.809 120.988 120.400 -0.369 0.000 2.493 482 D HA -0.045 4.696 4.640 0.168 0.000 0.240 482 D C 0.721 176.929 176.300 -0.153 0.000 1.142 482 D CA 0.230 54.080 54.000 -0.250 0.000 0.872 482 D CB 1.314 41.770 40.800 -0.575 0.000 1.173 482 D HN 0.627 nan 8.370 nan 0.000 0.467 483 A N 4.198 126.985 122.820 -0.055 0.000 1.978 483 A HA -0.206 4.215 4.320 0.168 0.000 0.220 483 A C 1.316 178.708 177.584 -0.320 0.000 1.170 483 A CA 1.385 53.285 52.037 -0.228 0.000 0.636 483 A CB -0.374 18.427 19.000 -0.330 0.000 0.810 483 A HN 0.780 nan 8.150 nan 0.000 0.448 484 H N -0.664 118.422 119.070 0.026 0.000 2.486 484 H HA 0.208 4.864 4.556 0.168 0.000 0.284 484 H C -0.546 174.779 175.328 -0.005 0.000 1.103 484 H CA -0.170 55.907 56.048 0.049 0.000 1.089 484 H CB 0.278 30.141 29.762 0.169 0.000 1.603 484 H HN 0.311 nan 8.280 nan 0.000 0.557 485 D N 0.476 120.859 120.400 -0.029 0.000 2.702 485 D HA -0.270 4.471 4.640 0.168 0.000 0.233 485 D C -0.217 176.101 176.300 0.031 0.000 1.164 485 D CA 1.059 55.026 54.000 -0.055 0.000 0.638 485 D CB -1.651 39.185 40.800 0.061 0.000 1.041 485 D HN 0.575 nan 8.370 nan 0.000 0.422 486 F N -3.705 116.291 119.950 0.078 0.000 2.914 486 F HA -0.366 4.264 4.527 0.170 0.000 0.304 486 F C 1.936 177.409 175.800 -0.544 0.000 0.712 486 F CA 0.688 58.430 58.000 -0.431 0.000 1.211 486 F CB -1.856 36.956 39.000 -0.314 0.000 1.515 486 F HN 0.330 nan 8.300 nan 0.000 0.350 487 A N 0.816 123.598 122.820 -0.062 0.000 2.070 487 A HA -0.165 4.256 4.320 0.168 0.000 0.220 487 A C 1.873 179.433 177.584 -0.040 0.000 1.159 487 A CA 1.375 53.398 52.037 -0.023 0.000 0.656 487 A CB -0.875 18.171 19.000 0.076 0.000 0.800 487 A HN 0.778 nan 8.150 nan 0.000 0.453 488 W N -1.034 120.275 121.300 0.015 0.000 2.374 488 W HA -0.041 4.720 4.660 0.167 0.000 0.288 488 W C 1.855 178.383 176.519 0.015 0.000 1.218 488 W CA 0.869 58.185 57.345 -0.049 0.000 1.245 488 W CB -1.189 28.205 29.460 -0.109 0.000 1.126 488 W HN 0.374 nan 8.180 nan 0.000 0.545 489 A N 1.986 124.577 122.820 -0.380 0.000 1.986 489 A HA -0.256 4.166 4.320 0.168 0.000 0.220 489 A C 1.720 179.267 177.584 -0.061 0.000 1.171 489 A CA 2.258 54.123 52.037 -0.286 0.000 0.640 489 A CB -0.909 17.773 19.000 -0.531 0.000 0.811 489 A HN 0.208 nan 8.150 nan 0.000 0.451 490 D N -0.002 120.365 120.400 -0.055 0.000 2.178 490 D HA -0.104 4.637 4.640 0.168 0.000 0.201 490 D C 1.580 177.895 176.300 0.024 0.000 0.980 490 D CA 1.020 55.012 54.000 -0.013 0.000 0.842 490 D CB -0.202 40.591 40.800 -0.012 0.000 0.948 490 D HN 0.424 nan 8.370 nan 0.000 0.472 491 K N 0.097 120.530 120.400 0.055 0.000 2.504 491 K HA 0.020 4.441 4.320 0.168 0.000 0.195 491 K C 0.925 177.569 176.600 0.073 0.000 1.036 491 K CA 0.086 56.409 56.287 0.061 0.000 0.984 491 K CB 0.053 32.594 32.500 0.068 0.000 0.788 491 K HN 0.202 nan 8.250 nan 0.000 0.488 492 C N 0.000 119.356 119.300 0.093 0.000 2.653 492 C HA 0.000 4.561 4.460 0.168 0.000 0.325 492 C CA 0.000 59.080 59.018 0.103 0.000 1.963 492 C CB 0.000 27.836 27.740 0.160 0.000 2.134 492 C HN 0.000 nan 8.230 nan 0.000 0.568