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 2xaf_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.198 177.300 -0.171 0.000 1.155 171 P CA 0.000 62.923 63.100 -0.295 0.000 0.800 171 P CB 0.000 31.505 31.700 -0.325 0.000 0.726 172 S N -1.733 113.898 115.700 -0.116 0.000 2.661 172 S HA 0.771 5.241 4.470 -0.000 0.000 0.268 172 S C 0.074 174.639 174.600 -0.060 0.000 1.162 172 S CA 0.867 59.028 58.200 -0.066 0.000 0.817 172 S CB 1.073 64.243 63.200 -0.050 0.000 1.141 172 S HN 1.867 nan 8.310 nan 0.000 0.477 173 G N -0.067 108.708 108.800 -0.041 0.000 2.484 173 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.225 173 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.225 173 G C 0.747 175.618 174.900 -0.049 0.000 1.250 173 G CA 0.682 45.761 45.100 -0.036 0.000 0.926 173 G HN 2.064 nan 8.290 nan 0.000 0.581 174 V N -1.870 118.004 119.914 -0.067 0.000 2.594 174 V HA 0.065 4.185 4.120 -0.000 0.000 0.253 174 V C 2.202 178.232 176.094 -0.106 0.000 1.069 174 V CA 2.924 65.145 62.300 -0.132 0.000 1.082 174 V CB -0.765 30.907 31.823 -0.252 0.000 0.680 174 V HN 0.689 nan 8.190 nan 0.000 0.469 175 E N 1.232 121.374 120.200 -0.096 0.000 2.358 175 E HA 0.081 4.431 4.350 -0.000 0.000 0.195 175 E C 2.270 178.867 176.600 -0.004 0.000 1.010 175 E CA 0.761 57.102 56.400 -0.098 0.000 0.856 175 E CB -0.303 29.228 29.700 -0.283 0.000 0.795 175 E HN 0.711 nan 8.360 nan 0.000 0.504 176 G N 1.491 110.289 108.800 -0.003 0.000 2.433 176 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 176 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 176 G C 1.678 176.668 174.900 0.150 0.000 1.186 176 G CA 0.877 46.019 45.100 0.070 0.000 0.779 176 G HN 0.356 nan 8.290 nan 0.000 0.543 177 A N 1.478 124.337 122.820 0.066 0.000 1.881 177 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 177 A C 2.873 180.510 177.584 0.088 0.000 1.215 177 A CA 3.251 55.324 52.037 0.060 0.000 0.648 177 A CB -1.219 17.784 19.000 0.004 0.000 0.832 177 A HN 1.108 nan 8.150 nan 0.000 0.455 178 A N -1.575 121.296 122.820 0.085 0.000 1.948 178 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 178 A C 2.112 179.794 177.584 0.163 0.000 1.177 178 A CA 1.905 54.007 52.037 0.107 0.000 0.636 178 A CB -0.715 18.362 19.000 0.129 0.000 0.815 178 A HN 0.962 nan 8.150 nan 0.000 0.449 179 F N 0.406 120.396 119.950 0.067 0.000 2.128 179 F HA -0.088 4.439 4.527 -0.000 0.000 0.295 179 F C 2.293 178.137 175.800 0.073 0.000 1.100 179 F CA 1.978 60.027 58.000 0.082 0.000 1.260 179 F CB -0.376 38.667 39.000 0.073 0.000 1.009 179 F HN 0.294 nan 8.300 nan 0.000 0.476 180 Q N 0.530 120.354 119.800 0.039 0.000 2.291 180 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 180 Q C 1.521 177.450 176.000 -0.118 0.000 0.976 180 Q CA 1.926 57.669 55.803 -0.099 0.000 0.875 180 Q CB -0.567 28.216 28.738 0.075 0.000 0.927 180 Q HN 0.338 nan 8.270 nan 0.000 0.450 181 S N -0.194 115.483 115.700 -0.037 0.000 2.597 181 S HA 0.244 4.714 4.470 -0.000 0.000 0.224 181 S C -0.456 174.130 174.600 -0.023 0.000 0.955 181 S CA 0.018 58.218 58.200 0.001 0.000 0.933 181 S CB -0.034 63.205 63.200 0.064 0.000 0.788 181 S HN 0.496 nan 8.310 nan 0.000 0.488 182 R N -0.016 120.442 120.500 -0.070 0.000 3.656 182 R HA -0.160 4.180 4.340 -0.000 0.000 0.297 182 R C -1.224 175.113 176.300 0.061 0.000 1.166 182 R CA 0.476 56.578 56.100 0.003 0.000 0.799 182 R CB -2.325 28.020 30.300 0.075 0.000 1.285 182 R HN 0.285 nan 8.270 nan 0.000 0.477 183 L N 0.274 121.532 121.223 0.058 0.000 2.381 183 L HA 0.578 4.918 4.340 -0.000 0.000 0.268 183 L C -2.113 174.809 176.870 0.086 0.000 0.997 183 L CA -2.466 52.419 54.840 0.075 0.000 0.818 183 L CB 1.616 43.711 42.059 0.060 0.000 1.310 183 L HN -0.238 nan 8.230 nan 0.000 0.416 184 P HA 0.022 nan 4.420 nan 0.000 0.270 184 P C -0.011 177.256 177.300 -0.054 0.000 1.242 184 P CA -0.057 63.044 63.100 0.001 0.000 0.768 184 P CB 0.388 32.070 31.700 -0.031 0.000 0.820 185 H N 1.992 121.085 119.070 0.039 0.000 2.543 185 H HA -0.102 4.454 4.556 -0.000 0.000 0.286 185 H C 0.187 175.503 175.328 -0.021 0.000 1.037 185 H CA 1.445 57.493 56.048 -0.000 0.000 1.250 185 H CB -0.522 29.250 29.762 0.016 0.000 1.373 185 H HN 0.292 nan 8.280 nan 0.000 0.580 186 D N -1.341 118.822 120.400 -0.396 0.000 2.582 186 D HA 0.196 4.836 4.640 -0.000 0.000 0.246 186 D C 0.132 176.359 176.300 -0.121 0.000 1.334 186 D CA -0.488 53.389 54.000 -0.205 0.000 0.805 186 D CB 0.220 40.858 40.800 -0.270 0.000 1.087 186 D HN 0.324 nan 8.370 nan 0.000 0.499 187 R N 0.003 120.442 120.500 -0.100 0.000 2.698 187 R HA 0.542 4.882 4.340 -0.000 0.000 0.275 187 R C -0.990 175.311 176.300 0.001 0.000 1.001 187 R CA -0.690 55.390 56.100 -0.033 0.000 0.896 187 R CB 1.817 32.096 30.300 -0.035 0.000 1.218 187 R HN -0.046 nan 8.270 nan 0.000 0.462 188 M N 2.533 122.169 119.600 0.060 0.000 2.211 188 M HA 0.206 4.686 4.480 -0.000 0.000 0.356 188 M C 0.529 176.883 176.300 0.089 0.000 1.216 188 M CA -0.319 55.053 55.300 0.119 0.000 1.134 188 M CB 1.457 34.179 32.600 0.203 0.000 1.564 188 M HN 0.676 nan 8.290 nan 0.000 0.463 189 T N -1.185 113.429 114.554 0.099 0.000 2.828 189 T HA 0.119 4.469 4.350 -0.000 0.000 0.290 189 T C 1.139 175.895 174.700 0.093 0.000 1.019 189 T CA -0.616 61.539 62.100 0.091 0.000 1.031 189 T CB 1.274 70.207 68.868 0.107 0.000 1.001 189 T HN 0.703 nan 8.240 nan 0.000 0.531 190 S N 0.100 115.844 115.700 0.074 0.000 2.374 190 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 190 S C 2.110 176.758 174.600 0.080 0.000 1.037 190 S CA 1.986 60.224 58.200 0.064 0.000 1.024 190 S CB -0.782 62.446 63.200 0.046 0.000 0.861 190 S HN 0.898 nan 8.310 nan 0.000 0.456 191 Q N 0.592 120.449 119.800 0.094 0.000 2.170 191 Q HA -0.118 4.222 4.340 -0.000 0.000 0.203 191 Q C 1.773 177.914 176.000 0.234 0.000 0.976 191 Q CA 2.075 57.951 55.803 0.121 0.000 0.858 191 Q CB -0.286 28.502 28.738 0.082 0.000 0.907 191 Q HN 0.687 nan 8.270 nan 0.000 0.433 192 E N -0.147 120.185 120.200 0.219 0.000 2.051 192 E HA -0.050 4.300 4.350 -0.000 0.000 0.189 192 E C 2.039 178.762 176.600 0.206 0.000 0.979 192 E CA 0.683 57.205 56.400 0.204 0.000 0.803 192 E CB -0.274 29.506 29.700 0.135 0.000 0.761 192 E HN 0.494 nan 8.360 nan 0.000 0.451 193 A N 1.865 124.760 122.820 0.125 0.000 1.909 193 A HA -0.338 3.982 4.320 -0.000 0.000 0.221 193 A C 2.446 180.066 177.584 0.060 0.000 1.223 193 A CA 2.410 54.493 52.037 0.078 0.000 0.658 193 A CB -1.175 17.858 19.000 0.055 0.000 0.831 193 A HN 0.339 nan 8.150 nan 0.000 0.462 194 A N -1.423 121.435 122.820 0.065 0.000 1.927 194 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 194 A C 2.257 179.834 177.584 -0.011 0.000 1.185 194 A CA 2.186 54.243 52.037 0.033 0.000 0.639 194 A CB -1.246 17.788 19.000 0.056 0.000 0.820 194 A HN 0.807 nan 8.150 nan 0.000 0.451 195 C N -3.278 116.020 119.300 -0.003 0.000 2.674 195 C HA 0.361 4.821 4.460 -0.000 0.000 0.276 195 C C 0.775 175.428 174.990 -0.561 0.000 1.300 195 C CA -0.331 58.543 59.018 -0.241 0.000 1.732 195 C CB -1.126 26.510 27.740 -0.173 0.000 2.076 195 C HN 0.501 nan 8.230 nan 0.000 0.548 196 F N 1.325 121.189 119.950 -0.142 0.000 2.831 196 F HA 0.284 4.811 4.527 -0.000 0.000 0.355 196 F C -1.299 174.391 175.800 -0.183 0.000 1.341 196 F CA -1.977 55.886 58.000 -0.229 0.000 1.201 196 F CB -0.196 38.511 39.000 -0.489 0.000 1.058 196 F HN 0.045 nan 8.300 nan 0.000 0.514 197 P HA -0.198 nan 4.420 nan 0.000 0.219 197 P C 1.135 178.426 177.300 -0.015 0.000 1.146 197 P CA 1.578 64.669 63.100 -0.015 0.000 0.808 197 P CB 0.161 31.841 31.700 -0.032 0.000 0.779 198 D N 0.679 121.068 120.400 -0.018 0.000 2.087 198 D HA -0.186 4.454 4.640 -0.000 0.000 0.192 198 D C 2.112 178.406 176.300 -0.010 0.000 0.993 198 D CA 1.079 55.073 54.000 -0.010 0.000 0.828 198 D CB -1.026 39.770 40.800 -0.006 0.000 0.968 198 D HN 0.198 nan 8.370 nan 0.000 0.448 199 I N 0.976 121.532 120.570 -0.024 0.000 2.090 199 I HA -0.219 3.951 4.170 -0.000 0.000 0.236 199 I C 2.902 178.994 176.117 -0.041 0.000 1.064 199 I CA 0.884 62.146 61.300 -0.063 0.000 1.324 199 I CB -0.232 37.638 38.000 -0.217 0.000 1.044 199 I HN -0.040 nan 8.210 nan 0.000 0.399 200 I N 0.364 120.906 120.570 -0.047 0.000 2.530 200 I HA -0.296 3.874 4.170 -0.000 0.000 0.257 200 I C 2.413 178.533 176.117 0.005 0.000 1.179 200 I CA 1.691 62.987 61.300 -0.007 0.000 1.440 200 I CB 0.004 38.007 38.000 0.006 0.000 1.087 200 I HN 0.355 nan 8.210 nan 0.000 0.440 201 S N -0.625 115.075 115.700 0.001 0.000 2.528 201 S HA 0.191 4.661 4.470 -0.000 0.000 0.219 201 S C 1.195 175.799 174.600 0.007 0.000 0.985 201 S CA 0.077 58.279 58.200 0.004 0.000 0.914 201 S CB -0.351 62.849 63.200 -0.001 0.000 0.776 201 S HN 0.404 nan 8.310 nan 0.000 0.526 202 G N 2.315 111.120 108.800 0.007 0.000 2.509 202 G HA2 0.536 4.496 3.960 -0.000 0.000 0.269 202 G HA3 0.536 4.496 3.960 -0.000 0.000 0.269 202 G C -2.732 172.179 174.900 0.020 0.000 1.416 202 G CA -1.693 43.415 45.100 0.012 0.000 1.052 202 G HN 0.292 nan 8.290 nan 0.000 0.542 203 P HA 0.084 nan 4.420 nan 0.000 0.268 203 P C 0.423 177.747 177.300 0.040 0.000 1.204 203 P CA -0.105 63.012 63.100 0.030 0.000 0.768 203 P CB 1.130 32.848 31.700 0.030 0.000 0.842 204 Q N 1.446 121.270 119.800 0.039 0.000 2.152 204 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 204 Q C 1.792 177.828 176.000 0.060 0.000 0.985 204 Q CA 1.763 57.594 55.803 0.047 0.000 0.863 204 Q CB -0.359 28.402 28.738 0.039 0.000 0.904 204 Q HN 0.499 nan 8.270 nan 0.000 0.422 205 Q N 0.495 120.329 119.800 0.056 0.000 2.002 205 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 205 Q C 2.108 178.162 176.000 0.090 0.000 0.988 205 Q CA 2.683 58.526 55.803 0.066 0.000 0.843 205 Q CB -0.901 27.867 28.738 0.051 0.000 0.908 205 Q HN 0.594 nan 8.270 nan 0.000 0.420 206 T N -1.181 113.423 114.554 0.083 0.000 2.665 206 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 206 T C 1.814 176.596 174.700 0.137 0.000 1.035 206 T CA 1.794 63.955 62.100 0.102 0.000 1.151 206 T CB -0.531 68.381 68.868 0.073 0.000 0.862 206 T HN 0.445 nan 8.240 nan 0.000 0.438 207 Q N 1.006 120.879 119.800 0.122 0.000 2.112 207 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 207 Q C 2.570 178.676 176.000 0.176 0.000 0.987 207 Q CA 1.748 57.653 55.803 0.170 0.000 0.858 207 Q CB -0.283 28.527 28.738 0.121 0.000 0.905 207 Q HN 0.596 nan 8.270 nan 0.000 0.420 208 K N 0.030 120.507 120.400 0.127 0.000 2.057 208 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 208 K C 2.125 178.795 176.600 0.116 0.000 1.049 208 K CA 1.386 57.739 56.287 0.110 0.000 0.931 208 K CB -0.039 32.528 32.500 0.112 0.000 0.714 208 K HN 0.057 nan 8.250 nan 0.000 0.440 209 V N 1.285 121.301 119.914 0.171 0.000 2.295 209 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 209 V C 2.034 178.200 176.094 0.121 0.000 1.049 209 V CA 1.868 64.287 62.300 0.198 0.000 1.024 209 V CB -0.710 31.280 31.823 0.277 0.000 0.648 209 V HN 0.247 nan 8.190 nan 0.000 0.447 210 F N 1.007 120.956 119.950 -0.002 0.000 2.046 210 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 210 F C 2.092 177.828 175.800 -0.107 0.000 1.123 210 F CA 1.658 59.605 58.000 -0.088 0.000 1.199 210 F CB -0.808 38.092 39.000 -0.166 0.000 0.972 210 F HN 0.024 nan 8.300 nan 0.000 0.474 211 L N -0.749 120.157 121.223 -0.529 0.000 1.997 211 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 211 L C 2.565 179.197 176.870 -0.396 0.000 1.074 211 L CA 2.058 56.530 54.840 -0.613 0.000 0.763 211 L CB -1.071 40.841 42.059 -0.245 0.000 0.890 211 L HN 0.296 nan 8.230 nan 0.000 0.434 212 F N 0.767 120.504 119.950 -0.356 0.000 2.065 212 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 212 F C 2.313 177.902 175.800 -0.351 0.000 1.112 212 F CA 1.844 59.612 58.000 -0.386 0.000 1.212 212 F CB -0.188 38.409 39.000 -0.672 0.000 0.975 212 F HN -0.077 nan 8.300 nan 0.000 0.476 213 I N 0.073 120.555 120.570 -0.146 0.000 2.127 213 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 213 I C 2.719 178.718 176.117 -0.197 0.000 1.075 213 I CA 1.650 62.904 61.300 -0.076 0.000 1.334 213 I CB -0.860 37.182 38.000 0.071 0.000 1.040 213 I HN 0.150 nan 8.210 nan 0.000 0.405 214 R N 1.641 121.956 120.500 -0.308 0.000 2.122 214 R HA -0.258 4.082 4.340 -0.000 0.000 0.236 214 R C 2.076 178.231 176.300 -0.242 0.000 1.129 214 R CA 2.736 58.658 56.100 -0.297 0.000 0.925 214 R CB -0.652 29.311 30.300 -0.561 0.000 0.850 214 R HN 0.363 nan 8.270 nan 0.000 0.431 215 N N 0.318 118.819 118.700 -0.331 0.000 2.094 215 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 215 N C 1.826 177.140 175.510 -0.326 0.000 1.023 215 N CA 1.555 54.430 53.050 -0.292 0.000 0.857 215 N CB -0.428 37.861 38.487 -0.330 0.000 1.013 215 N HN 0.209 nan 8.380 nan 0.000 0.426 216 R N 0.661 120.848 120.500 -0.521 0.000 2.062 216 R HA 0.043 4.383 4.340 -0.000 0.000 0.231 216 R C 1.895 178.099 176.300 -0.161 0.000 1.136 216 R CA 1.817 57.639 56.100 -0.462 0.000 0.948 216 R CB -1.128 28.776 30.300 -0.660 0.000 0.845 216 R HN 0.180 nan 8.270 nan 0.000 0.430 217 T N 1.764 116.265 114.554 -0.088 0.000 2.635 217 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 217 T C 1.881 176.625 174.700 0.074 0.000 1.040 217 T CA 1.799 63.925 62.100 0.042 0.000 1.156 217 T CB -0.472 68.446 68.868 0.084 0.000 0.863 217 T HN 0.141 nan 8.240 nan 0.000 0.430 218 L N 0.759 122.007 121.223 0.042 0.000 1.991 218 L HA -0.317 4.023 4.340 -0.000 0.000 0.221 218 L C 2.976 179.906 176.870 0.099 0.000 1.079 218 L CA 2.088 56.990 54.840 0.103 0.000 0.778 218 L CB -0.640 41.446 42.059 0.045 0.000 0.893 218 L HN 0.373 nan 8.230 nan 0.000 0.437 219 Q N -0.054 119.749 119.800 0.005 0.000 2.062 219 Q HA -0.277 4.063 4.340 -0.000 0.000 0.209 219 Q C 2.345 178.346 176.000 0.002 0.000 0.996 219 Q CA 2.114 57.907 55.803 -0.018 0.000 0.859 219 Q CB -0.259 28.441 28.738 -0.063 0.000 0.920 219 Q HN 0.453 nan 8.270 nan 0.000 0.415 220 L N 0.051 121.293 121.223 0.031 0.000 2.013 220 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 220 L C 2.411 179.329 176.870 0.080 0.000 1.073 220 L CA 1.966 56.838 54.840 0.054 0.000 0.753 220 L CB -0.799 41.312 42.059 0.087 0.000 0.890 220 L HN 0.589 nan 8.230 nan 0.000 0.432 221 W N 0.545 121.828 121.300 -0.028 0.000 2.338 221 W HA -0.243 4.417 4.660 -0.000 0.000 0.304 221 W C 2.036 178.515 176.519 -0.067 0.000 1.212 221 W CA 1.438 58.750 57.345 -0.055 0.000 1.264 221 W CB -0.187 29.235 29.460 -0.065 0.000 1.142 221 W HN 0.139 nan 8.180 nan 0.000 0.512 222 L N 0.778 121.825 121.223 -0.294 0.000 2.027 222 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 222 L C 2.370 179.013 176.870 -0.377 0.000 1.074 222 L CA 1.646 56.219 54.840 -0.445 0.000 0.745 222 L CB -1.100 40.863 42.059 -0.159 0.000 0.898 222 L HN -0.165 nan 8.230 nan 0.000 0.433 223 D N -0.120 120.151 120.400 -0.215 0.000 2.265 223 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 223 D C 0.606 176.791 176.300 -0.191 0.000 0.977 223 D CA 1.153 55.058 54.000 -0.159 0.000 0.871 223 D CB -0.202 40.545 40.800 -0.089 0.000 0.925 223 D HN 0.158 nan 8.370 nan 0.000 0.485 224 N N -0.620 117.923 118.700 -0.262 0.000 2.685 224 N HA 0.128 4.868 4.740 -0.000 0.000 0.252 224 N C -2.632 172.611 175.510 -0.444 0.000 1.261 224 N CA -1.367 51.532 53.050 -0.252 0.000 0.768 224 N CB 1.579 39.995 38.487 -0.118 0.000 1.304 224 N HN -0.212 nan 8.380 nan 0.000 0.536 225 P HA 0.269 nan 4.420 nan 0.000 0.269 225 P C 0.360 177.388 177.300 -0.454 0.000 1.478 225 P CA 0.081 62.478 63.100 -1.172 0.000 1.045 225 P CB 0.446 31.345 31.700 -1.336 0.000 1.512 226 K N 0.576 120.860 120.400 -0.193 0.000 2.374 226 K HA 0.229 4.549 4.320 -0.000 0.000 0.196 226 K C 0.793 177.451 176.600 0.097 0.000 1.023 226 K CA 0.178 56.452 56.287 -0.021 0.000 1.103 226 K CB 0.285 32.762 32.500 -0.037 0.000 0.848 226 K HN 0.357 nan 8.250 nan 0.000 0.528 227 I N -2.313 118.344 120.570 0.144 0.000 2.722 227 I HA 0.253 4.422 4.170 -0.000 0.000 0.295 227 I C -0.514 175.780 176.117 0.296 0.000 1.161 227 I CA -1.240 60.188 61.300 0.212 0.000 1.032 227 I CB 1.817 39.890 38.000 0.122 0.000 1.244 227 I HN -0.176 nan 8.210 nan 0.000 0.421 228 Q N 3.475 123.445 119.800 0.284 0.000 2.369 228 Q HA 0.187 4.527 4.340 -0.000 0.000 0.295 228 Q C -1.408 174.677 176.000 0.142 0.000 1.075 228 Q CA 0.008 55.894 55.803 0.138 0.000 0.941 228 Q CB 1.077 29.935 28.738 0.200 0.000 1.260 228 Q HN 0.734 nan 8.270 nan 0.000 0.417 229 L N 4.528 125.812 121.223 0.102 0.000 2.318 229 L HA 0.375 4.715 4.340 -0.000 0.000 0.277 229 L C -0.509 176.518 176.870 0.263 0.000 1.008 229 L CA -0.155 54.796 54.840 0.184 0.000 0.846 229 L CB 1.376 43.582 42.059 0.245 0.000 1.220 229 L HN 0.845 nan 8.230 nan 0.000 0.423 230 T N 0.724 115.376 114.554 0.164 0.000 2.816 230 T HA 0.144 4.494 4.350 -0.000 0.000 0.282 230 T C 1.012 175.619 174.700 -0.154 0.000 0.993 230 T CA -0.267 61.880 62.100 0.079 0.000 0.994 230 T CB 0.498 69.396 68.868 0.050 0.000 1.025 230 T HN 0.429 nan 8.240 nan 0.000 0.529 231 F N 1.468 121.059 119.950 -0.598 0.000 2.126 231 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 231 F C 1.980 177.657 175.800 -0.206 0.000 1.096 231 F CA 1.522 59.168 58.000 -0.590 0.000 1.255 231 F CB -0.902 37.922 39.000 -0.293 0.000 0.997 231 F HN 0.674 nan 8.300 nan 0.000 0.479 232 E N 0.674 120.715 120.200 -0.266 0.000 2.006 232 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 232 E C 2.431 178.915 176.600 -0.193 0.000 0.993 232 E CA 1.593 57.801 56.400 -0.319 0.000 0.808 232 E CB -1.126 28.473 29.700 -0.169 0.000 0.764 232 E HN 0.343 nan 8.360 nan 0.000 0.449 233 A N 0.494 123.264 122.820 -0.083 0.000 2.009 233 A HA -0.319 4.000 4.320 -0.000 0.000 0.222 233 A C 2.319 179.899 177.584 -0.007 0.000 1.175 233 A CA 2.491 54.514 52.037 -0.023 0.000 0.651 233 A CB -1.292 17.723 19.000 0.026 0.000 0.815 233 A HN 0.323 nan 8.150 nan 0.000 0.459 234 T N -0.378 114.172 114.554 -0.008 0.000 2.639 234 T HA -0.095 4.255 4.350 -0.000 0.000 0.261 234 T C 1.857 176.565 174.700 0.014 0.000 1.053 234 T CA 1.362 63.494 62.100 0.054 0.000 1.158 234 T CB -0.502 68.458 68.868 0.155 0.000 0.863 234 T HN 0.358 nan 8.240 nan 0.000 0.413 235 L N 1.495 122.661 121.223 -0.095 0.000 2.043 235 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 235 L C 2.532 179.371 176.870 -0.050 0.000 1.075 235 L CA 2.102 56.878 54.840 -0.106 0.000 0.752 235 L CB -0.981 40.868 42.059 -0.350 0.000 0.891 235 L HN 0.265 nan 8.230 nan 0.000 0.432 236 Q N -0.280 119.475 119.800 -0.075 0.000 1.968 236 Q HA -0.368 3.972 4.340 -0.000 0.000 0.216 236 Q C 2.264 178.271 176.000 0.011 0.000 1.037 236 Q CA 2.968 58.751 55.803 -0.033 0.000 0.889 236 Q CB -0.535 28.182 28.738 -0.035 0.000 0.998 236 Q HN 0.647 nan 8.270 nan 0.000 0.417 237 Q N -0.547 119.273 119.800 0.032 0.000 2.369 237 Q HA 0.170 4.510 4.340 -0.000 0.000 0.206 237 Q C -0.053 176.007 176.000 0.101 0.000 0.963 237 Q CA 0.092 55.931 55.803 0.060 0.000 0.894 237 Q CB 0.084 28.859 28.738 0.062 0.000 0.965 237 Q HN 0.376 nan 8.270 nan 0.000 0.475 238 L N 1.459 122.751 121.223 0.116 0.000 2.483 238 L HA -0.005 4.335 4.340 -0.000 0.000 0.276 238 L C 0.381 177.345 176.870 0.156 0.000 1.213 238 L CA 0.353 55.303 54.840 0.184 0.000 0.843 238 L CB 0.549 42.725 42.059 0.194 0.000 1.107 238 L HN 0.233 nan 8.230 nan 0.000 0.487 239 E N 1.658 121.980 120.200 0.203 0.000 2.232 239 E HA 0.475 4.825 4.350 -0.000 0.000 0.264 239 E C -0.499 176.126 176.600 0.042 0.000 0.973 239 E CA -0.702 55.760 56.400 0.102 0.000 0.849 239 E CB 1.755 31.503 29.700 0.080 0.000 1.198 239 E HN 0.632 nan 8.360 nan 0.000 0.407 240 A N 1.947 124.741 122.820 -0.044 0.000 2.351 240 A HA 0.304 4.624 4.320 -0.000 0.000 0.257 240 A C -1.352 176.045 177.584 -0.312 0.000 1.087 240 A CA -0.880 51.085 52.037 -0.121 0.000 0.798 240 A CB -0.186 18.762 19.000 -0.087 0.000 1.033 240 A HN 0.404 nan 8.150 nan 0.000 0.488 241 P HA -0.114 nan 4.420 nan 0.000 0.226 241 P C 0.550 177.737 177.300 -0.188 0.000 1.153 241 P CA 1.130 64.041 63.100 -0.314 0.000 0.777 241 P CB -0.052 31.436 31.700 -0.354 0.000 0.794 242 Y N 2.696 122.974 120.300 -0.036 0.000 2.049 242 Y HA -0.179 4.371 4.550 -0.000 0.000 0.277 242 Y C 2.151 178.096 175.900 0.076 0.000 1.143 242 Y CA 1.525 59.638 58.100 0.022 0.000 1.115 242 Y CB -2.208 36.262 38.460 0.016 0.000 0.975 242 Y HN 0.125 nan 8.280 nan 0.000 0.487 243 N N 0.807 119.643 118.700 0.227 0.000 2.617 243 N HA -0.098 4.642 4.740 -0.000 0.000 0.198 243 N C 1.194 176.763 175.510 0.098 0.000 1.317 243 N CA 0.821 53.964 53.050 0.155 0.000 0.892 243 N CB -0.607 37.949 38.487 0.115 0.000 1.041 243 N HN 0.425 nan 8.380 nan 0.000 0.450 244 S N -0.481 115.271 115.700 0.087 0.000 2.325 244 S HA -0.129 4.341 4.470 -0.000 0.000 0.214 244 S C 0.623 175.275 174.600 0.088 0.000 1.031 244 S CA 0.424 58.660 58.200 0.061 0.000 0.972 244 S CB -0.560 62.659 63.200 0.032 0.000 0.908 244 S HN 0.248 nan 8.310 nan 0.000 0.453 245 D N 1.946 122.416 120.400 0.116 0.000 2.374 245 D HA 0.228 4.868 4.640 -0.000 0.000 0.240 245 D C 1.243 177.650 176.300 0.177 0.000 1.229 245 D CA 0.466 54.545 54.000 0.131 0.000 0.895 245 D CB 1.239 42.117 40.800 0.131 0.000 1.046 245 D HN 0.533 nan 8.370 nan 0.000 0.498 246 T N -0.314 114.348 114.554 0.180 0.000 3.043 246 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 246 T C 1.897 176.783 174.700 0.310 0.000 1.094 246 T CA 0.884 63.147 62.100 0.273 0.000 1.127 246 T CB -0.314 68.703 68.868 0.248 0.000 0.905 246 T HN 0.195 nan 8.240 nan 0.000 0.490 247 V N -0.370 119.671 119.914 0.212 0.000 2.626 247 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 247 V C 2.440 178.654 176.094 0.200 0.000 1.067 247 V CA 0.776 63.191 62.300 0.191 0.000 1.081 247 V CB -1.330 30.573 31.823 0.134 0.000 0.686 247 V HN 0.285 nan 8.190 nan 0.000 0.468 248 L N 0.553 121.901 121.223 0.207 0.000 1.973 248 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 248 L C 2.625 179.652 176.870 0.262 0.000 1.073 248 L CA 2.210 57.184 54.840 0.223 0.000 0.746 248 L CB -0.667 41.515 42.059 0.206 0.000 0.891 248 L HN 0.213 nan 8.230 nan 0.000 0.433 249 V N -0.893 119.210 119.914 0.316 0.000 2.370 249 V HA -0.379 3.741 4.120 -0.000 0.000 0.252 249 V C 2.453 178.770 176.094 0.372 0.000 1.068 249 V CA 2.201 64.747 62.300 0.410 0.000 1.061 249 V CB -1.193 30.941 31.823 0.517 0.000 0.656 249 V HN 0.576 nan 8.190 nan 0.000 0.455 250 H N 0.551 119.615 119.070 -0.009 0.000 2.307 250 H HA -0.006 4.549 4.556 -0.000 0.000 0.303 250 H C 2.484 177.705 175.328 -0.178 0.000 1.073 250 H CA 1.896 57.542 56.048 -0.670 0.000 1.338 250 H CB -0.179 29.089 29.762 -0.823 0.000 1.389 250 H HN 0.227 nan 8.280 nan 0.000 0.503 251 R N -0.555 119.949 120.500 0.008 0.000 2.133 251 R HA -0.132 4.208 4.340 -0.000 0.000 0.247 251 R C 2.276 178.738 176.300 0.269 0.000 1.151 251 R CA 1.571 57.745 56.100 0.124 0.000 0.971 251 R CB -0.258 30.210 30.300 0.280 0.000 0.866 251 R HN 0.221 nan 8.270 nan 0.000 0.447 252 V N -0.451 119.632 119.914 0.281 0.000 2.379 252 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 252 V C 2.305 178.526 176.094 0.211 0.000 1.035 252 V CA 1.561 64.045 62.300 0.306 0.000 1.035 252 V CB -0.605 31.358 31.823 0.233 0.000 0.673 252 V HN 0.457 nan 8.190 nan 0.000 0.457 253 H N 0.354 119.464 119.070 0.067 0.000 2.422 253 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 253 H C 2.262 177.528 175.328 -0.105 0.000 1.098 253 H CA 2.054 58.121 56.048 0.032 0.000 1.315 253 H CB 0.147 29.979 29.762 0.117 0.000 1.382 253 H HN 0.417 nan 8.280 nan 0.000 0.523 254 S N 0.015 115.602 115.700 -0.188 0.000 2.345 254 S HA -0.147 4.323 4.470 -0.000 0.000 0.219 254 S C 1.943 176.172 174.600 -0.618 0.000 1.031 254 S CA 0.982 58.928 58.200 -0.423 0.000 0.984 254 S CB -0.810 62.095 63.200 -0.493 0.000 0.874 254 S HN 0.638 nan 8.310 nan 0.000 0.451 255 Y N 2.680 122.578 120.300 -0.671 0.000 2.069 255 Y HA -0.256 4.294 4.550 -0.000 0.000 0.278 255 Y C 1.903 177.616 175.900 -0.312 0.000 1.175 255 Y CA 1.621 59.369 58.100 -0.587 0.000 1.134 255 Y CB -0.603 37.912 38.460 0.091 0.000 0.965 255 Y HN 0.132 nan 8.280 nan 0.000 0.498 256 L N 0.249 121.430 121.223 -0.070 0.000 2.012 256 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 256 L C 2.681 179.324 176.870 -0.379 0.000 1.073 256 L CA 2.080 56.805 54.840 -0.191 0.000 0.748 256 L CB -0.693 41.325 42.059 -0.068 0.000 0.891 256 L HN 0.380 nan 8.230 nan 0.000 0.431 257 E N 0.013 119.927 120.200 -0.477 0.000 2.072 257 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 257 E C 2.287 178.687 176.600 -0.333 0.000 0.985 257 E CA 0.840 56.980 56.400 -0.432 0.000 0.801 257 E CB 0.118 29.532 29.700 -0.477 0.000 0.750 257 E HN 0.142 nan 8.360 nan 0.000 0.452 258 R N 0.558 120.714 120.500 -0.573 0.000 2.080 258 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 258 R C 0.953 176.977 176.300 -0.460 0.000 1.137 258 R CA 2.092 57.778 56.100 -0.691 0.000 0.943 258 R CB -0.774 28.902 30.300 -1.041 0.000 0.846 258 R HN 0.345 nan 8.270 nan 0.000 0.431 259 H N -1.103 117.771 119.070 -0.327 0.000 2.610 259 H HA 0.319 4.875 4.556 -0.000 0.000 0.302 259 H C 0.605 175.792 175.328 -0.235 0.000 1.063 259 H CA 0.281 56.167 56.048 -0.271 0.000 1.159 259 H CB 0.084 29.597 29.762 -0.415 0.000 1.427 259 H HN 0.518 nan 8.280 nan 0.000 0.553 260 G N 1.020 109.760 108.800 -0.099 0.000 2.283 260 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 260 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 260 G C 0.814 175.590 174.900 -0.206 0.000 1.029 260 G CA 0.523 45.545 45.100 -0.130 0.000 0.840 260 G HN 0.512 nan 8.290 nan 0.000 0.505 261 L N -0.943 120.198 121.223 -0.136 0.000 2.307 261 L HA 0.356 4.695 4.340 -0.000 0.000 0.211 261 L C 1.567 178.443 176.870 0.009 0.000 1.099 261 L CA 1.072 55.886 54.840 -0.043 0.000 0.816 261 L CB -0.077 41.953 42.059 -0.048 0.000 0.952 261 L HN 0.605 nan 8.230 nan 0.000 0.455 262 I N -4.501 115.873 120.570 -0.327 0.000 2.865 262 I HA 0.395 4.565 4.170 -0.000 0.000 0.302 262 I C -0.889 174.514 176.117 -1.190 0.000 1.140 262 I CA -0.977 59.666 61.300 -1.095 0.000 1.021 262 I CB 1.904 39.501 38.000 -0.671 0.000 1.233 262 I HN -0.003 nan 8.210 nan 0.000 0.427 263 N N 3.165 120.498 118.700 -2.278 0.000 2.642 263 N HA -0.233 4.507 4.740 -0.000 0.000 0.269 263 N C -1.059 173.869 175.510 -0.970 0.000 1.073 263 N CA 1.318 53.210 53.050 -1.930 0.000 0.748 263 N CB -1.456 36.180 38.487 -1.418 0.000 0.894 263 N HN 0.752 nan 8.380 nan 0.000 0.548 264 F N -2.680 116.936 119.950 -0.558 0.000 2.618 264 F HA 0.871 5.398 4.527 -0.000 0.000 0.332 264 F C 1.149 177.159 175.800 0.350 0.000 1.061 264 F CA 0.012 58.038 58.000 0.044 0.000 0.974 264 F CB 0.965 39.935 39.000 -0.051 0.000 1.310 264 F HN 0.319 nan 8.300 nan 0.000 0.491 265 G N 1.220 110.294 108.800 0.457 0.000 2.514 265 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 265 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 265 G C -0.915 174.065 174.900 0.133 0.000 1.150 265 G CA -0.105 45.162 45.100 0.277 0.000 0.959 265 G HN 0.977 nan 8.290 nan 0.000 0.556 266 I N 2.296 122.931 120.570 0.108 0.000 2.460 266 I HA 0.472 4.642 4.170 -0.000 0.000 0.277 266 I C -0.076 176.078 176.117 0.061 0.000 1.057 266 I CA -0.734 60.547 61.300 -0.032 0.000 1.179 266 I CB 0.482 38.469 38.000 -0.021 0.000 1.329 266 I HN 0.543 nan 8.210 nan 0.000 0.478 267 Y N 2.982 123.324 120.300 0.071 0.000 2.596 267 Y HA 0.638 5.188 4.550 -0.000 0.000 0.326 267 Y C -0.044 175.893 175.900 0.062 0.000 1.167 267 Y CA -1.696 56.464 58.100 0.101 0.000 1.246 267 Y CB 0.568 39.142 38.460 0.190 0.000 1.347 267 Y HN 0.131 nan 8.280 nan 0.000 0.515 268 K N 1.487 122.014 120.400 0.211 0.000 2.227 268 K HA 0.307 4.627 4.320 -0.000 0.000 0.280 268 K C -0.469 176.249 176.600 0.196 0.000 1.041 268 K CA -0.720 55.641 56.287 0.122 0.000 0.905 268 K CB 0.988 33.540 32.500 0.086 0.000 1.068 268 K HN 0.695 nan 8.250 nan 0.000 0.470 269 R N 3.074 123.648 120.500 0.123 0.000 2.537 269 R HA 0.057 4.397 4.340 -0.000 0.000 0.280 269 R C 1.049 177.421 176.300 0.120 0.000 1.058 269 R CA 0.258 56.447 56.100 0.149 0.000 1.057 269 R CB 0.429 30.775 30.300 0.077 0.000 0.973 269 R HN 0.631 nan 8.270 nan 0.000 0.438 270 I N 2.363 123.010 120.570 0.128 0.000 2.368 270 I HA -0.040 4.130 4.170 -0.000 0.000 0.238 270 I C 0.287 176.450 176.117 0.076 0.000 1.076 270 I CA 0.678 62.033 61.300 0.092 0.000 1.397 270 I CB 0.021 38.074 38.000 0.089 0.000 1.141 270 I HN 0.359 nan 8.210 nan 0.000 0.430 271 K N 2.368 122.819 120.400 0.086 0.000 2.262 271 K HA 0.241 4.561 4.320 -0.000 0.000 0.288 271 K C -2.319 174.324 176.600 0.071 0.000 1.090 271 K CA -1.490 54.841 56.287 0.073 0.000 0.918 271 K CB 0.066 32.614 32.500 0.080 0.000 1.139 271 K HN -0.045 nan 8.250 nan 0.000 0.462 272 P HA -0.045 nan 4.420 nan 0.000 0.271 272 P C -0.472 176.856 177.300 0.047 0.000 1.238 272 P CA -0.313 62.814 63.100 0.045 0.000 0.794 272 P CB 0.496 32.214 31.700 0.031 0.000 0.959 273 L N 2.732 123.978 121.223 0.038 0.000 2.530 273 L HA 0.101 4.441 4.340 -0.000 0.000 0.273 273 L C -1.522 175.371 176.870 0.039 0.000 1.141 273 L CA -1.359 53.505 54.840 0.041 0.000 0.905 273 L CB -0.984 41.090 42.059 0.024 0.000 1.202 273 L HN 0.329 nan 8.230 nan 0.000 0.473 274 P HA -0.202 nan 4.420 nan 0.000 0.220 274 P C 1.192 178.512 177.300 0.033 0.000 1.000 274 P CA 0.659 63.785 63.100 0.043 0.000 0.905 274 P CB 0.114 31.846 31.700 0.053 0.000 0.858 275 T N 2.027 116.598 114.554 0.028 0.000 2.582 275 T HA -0.323 4.026 4.350 -0.000 0.000 0.238 275 T C 0.705 175.417 174.700 0.020 0.000 1.283 275 T CA 2.084 64.198 62.100 0.022 0.000 1.101 275 T CB -0.163 68.718 68.868 0.022 0.000 0.823 275 T HN 0.413 nan 8.240 nan 0.000 0.467 276 K N 0.828 121.242 120.400 0.023 0.000 2.207 276 K HA 0.518 4.838 4.320 -0.000 0.000 0.255 276 K C -0.626 175.989 176.600 0.026 0.000 0.941 276 K CA -0.838 55.462 56.287 0.021 0.000 0.825 276 K CB 1.365 33.877 32.500 0.020 0.000 1.119 276 K HN 0.287 nan 8.250 nan 0.000 0.430 277 K N 0.601 121.015 120.400 0.023 0.000 2.177 277 K HA 0.457 4.777 4.320 -0.000 0.000 0.238 277 K C -0.848 175.768 176.600 0.026 0.000 1.015 277 K CA -0.780 55.522 56.287 0.025 0.000 0.922 277 K CB 1.638 34.147 32.500 0.016 0.000 1.127 277 K HN 0.481 nan 8.250 nan 0.000 0.469 278 T N 0.266 114.838 114.554 0.029 0.000 2.921 278 T HA 0.555 4.905 4.350 -0.000 0.000 0.297 278 T C -0.446 174.266 174.700 0.020 0.000 1.013 278 T CA -0.534 61.585 62.100 0.033 0.000 0.990 278 T CB 1.563 70.460 68.868 0.048 0.000 1.023 278 T HN 0.893 nan 8.240 nan 0.000 0.447 279 G N 2.052 110.855 108.800 0.006 0.000 2.881 279 G HA2 0.002 3.962 3.960 -0.000 0.000 0.681 279 G HA3 0.002 3.962 3.960 -0.000 0.000 0.681 279 G C -0.764 174.088 174.900 -0.081 0.000 1.567 279 G CA -0.299 44.772 45.100 -0.049 0.000 1.013 279 G HN 0.916 nan 8.290 nan 0.000 0.580 280 K N -0.400 119.924 120.400 -0.127 0.000 2.397 280 K HA 0.733 5.053 4.320 -0.000 0.000 0.253 280 K C -0.489 176.025 176.600 -0.143 0.000 0.932 280 K CA -0.636 55.591 56.287 -0.100 0.000 0.795 280 K CB 2.142 34.615 32.500 -0.046 0.000 1.159 280 K HN 1.156 nan 8.250 nan 0.000 0.424 281 V N 4.315 124.157 119.914 -0.119 0.000 2.531 281 V HA 0.542 4.662 4.120 -0.000 0.000 0.301 281 V C -0.469 175.568 176.094 -0.094 0.000 1.034 281 V CA -0.982 61.243 62.300 -0.125 0.000 0.865 281 V CB 1.371 33.110 31.823 -0.141 0.000 0.995 281 V HN 0.671 nan 8.190 nan 0.000 0.424 282 I N 4.924 125.446 120.570 -0.081 0.000 2.437 282 I HA 0.520 4.690 4.170 -0.000 0.000 0.298 282 I C -0.160 175.899 176.117 -0.097 0.000 0.984 282 I CA -0.806 60.434 61.300 -0.101 0.000 1.214 282 I CB 1.730 39.677 38.000 -0.088 0.000 1.365 282 I HN 0.545 nan 8.210 nan 0.000 0.469 283 I N 6.860 127.356 120.570 -0.123 0.000 2.439 283 I HA 0.342 4.512 4.170 -0.000 0.000 0.283 283 I C -0.258 175.793 176.117 -0.109 0.000 1.023 283 I CA -0.482 60.758 61.300 -0.100 0.000 1.100 283 I CB 1.746 39.685 38.000 -0.101 0.000 1.238 283 I HN 0.296 nan 8.210 nan 0.000 0.445 284 I N 6.398 126.925 120.570 -0.072 0.000 2.322 284 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 284 I C 0.761 176.851 176.117 -0.046 0.000 1.060 284 I CA 0.014 61.273 61.300 -0.068 0.000 1.309 284 I CB 0.492 38.476 38.000 -0.026 0.000 1.415 284 I HN 0.808 nan 8.210 nan 0.000 0.492 285 G N 4.170 112.921 108.800 -0.082 0.000 3.055 285 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 285 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 285 G C -0.045 174.818 174.900 -0.062 0.000 1.087 285 G CA -0.265 44.797 45.100 -0.064 0.000 0.779 285 G HN 0.784 nan 8.290 nan 0.000 0.599 286 S N 1.361 117.020 115.700 -0.067 0.000 2.526 286 S HA 0.612 5.082 4.470 -0.000 0.000 0.245 286 S C 1.258 175.836 174.600 -0.037 0.000 1.103 286 S CA 0.638 58.802 58.200 -0.060 0.000 1.095 286 S CB 0.557 63.713 63.200 -0.074 0.000 0.826 286 S HN 1.986 nan 8.310 nan 0.000 0.468 287 G N 0.892 109.681 108.800 -0.019 0.000 2.684 287 G HA2 0.344 4.304 3.960 -0.000 0.000 0.255 287 G HA3 0.344 4.304 3.960 -0.000 0.000 0.255 287 G C 0.977 175.858 174.900 -0.032 0.000 1.219 287 G CA -0.273 44.819 45.100 -0.014 0.000 0.901 287 G HN 0.237 nan 8.290 nan 0.000 0.548 288 V N 0.948 120.834 119.914 -0.047 0.000 2.252 288 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 288 V C 3.332 179.400 176.094 -0.043 0.000 1.056 288 V CA 2.972 65.242 62.300 -0.050 0.000 1.022 288 V CB -0.998 30.781 31.823 -0.073 0.000 0.641 288 V HN 0.954 nan 8.190 nan 0.000 0.445 289 S N 0.878 116.551 115.700 -0.044 0.000 2.368 289 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 289 S C 2.094 176.668 174.600 -0.043 0.000 1.044 289 S CA 1.846 60.019 58.200 -0.046 0.000 1.062 289 S CB -1.461 61.714 63.200 -0.042 0.000 0.931 289 S HN 0.619 nan 8.310 nan 0.000 0.440 290 G N 2.621 111.399 108.800 -0.035 0.000 2.679 290 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 290 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 290 G C 1.490 176.355 174.900 -0.058 0.000 1.267 290 G CA 1.348 46.421 45.100 -0.045 0.000 0.799 290 G HN 0.547 nan 8.290 nan 0.000 0.606 291 L N 1.062 122.253 121.223 -0.053 0.000 2.013 291 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 291 L C 3.425 180.262 176.870 -0.055 0.000 1.073 291 L CA 1.503 56.310 54.840 -0.054 0.000 0.753 291 L CB -0.724 41.310 42.059 -0.041 0.000 0.890 291 L HN 0.319 nan 8.230 nan 0.000 0.432 292 A N 0.104 122.897 122.820 -0.044 0.000 1.883 292 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 292 A C 2.578 180.116 177.584 -0.077 0.000 1.186 292 A CA 2.076 54.090 52.037 -0.039 0.000 0.624 292 A CB -0.913 18.067 19.000 -0.033 0.000 0.822 292 A HN 0.417 nan 8.150 nan 0.000 0.444 293 A N -0.211 122.555 122.820 -0.089 0.000 1.877 293 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 293 A C 2.544 180.039 177.584 -0.147 0.000 1.186 293 A CA 2.295 54.262 52.037 -0.117 0.000 0.620 293 A CB -1.213 17.729 19.000 -0.097 0.000 0.822 293 A HN 1.148 nan 8.150 nan 0.000 0.443 294 A N -0.114 122.633 122.820 -0.122 0.000 1.859 294 A HA -0.268 4.051 4.320 -0.000 0.000 0.218 294 A C 2.245 179.736 177.584 -0.155 0.000 1.209 294 A CA 1.908 53.868 52.037 -0.128 0.000 0.639 294 A CB -0.735 18.203 19.000 -0.104 0.000 0.835 294 A HN 0.508 nan 8.150 nan 0.000 0.450 295 R N -1.295 119.124 120.500 -0.135 0.000 2.134 295 R HA -0.224 4.116 4.340 -0.000 0.000 0.248 295 R C 2.438 178.600 176.300 -0.232 0.000 1.143 295 R CA 1.928 57.939 56.100 -0.148 0.000 0.957 295 R CB -0.516 29.725 30.300 -0.098 0.000 0.867 295 R HN 0.588 nan 8.270 nan 0.000 0.441 296 Q N 0.497 120.116 119.800 -0.302 0.000 2.030 296 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 296 Q C 2.321 177.731 176.000 -0.983 0.000 0.986 296 Q CA 1.410 56.829 55.803 -0.639 0.000 0.843 296 Q CB -0.504 27.896 28.738 -0.563 0.000 0.904 296 Q HN 0.391 nan 8.270 nan 0.000 0.420 297 L N 0.227 121.117 121.223 -0.556 0.000 1.994 297 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 297 L C 2.689 179.433 176.870 -0.211 0.000 1.071 297 L CA 1.606 56.241 54.840 -0.343 0.000 0.745 297 L CB -0.638 41.319 42.059 -0.170 0.000 0.892 297 L HN 0.365 nan 8.230 nan 0.000 0.431 298 Q N -0.113 119.582 119.800 -0.175 0.000 2.062 298 Q HA -0.304 4.036 4.340 -0.000 0.000 0.209 298 Q C 2.344 178.300 176.000 -0.074 0.000 0.996 298 Q CA 2.537 58.280 55.803 -0.100 0.000 0.859 298 Q CB -0.181 28.498 28.738 -0.098 0.000 0.920 298 Q HN 0.418 nan 8.270 nan 0.000 0.415 299 S N -0.633 114.982 115.700 -0.141 0.000 2.407 299 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 299 S C 1.219 175.913 174.600 0.158 0.000 1.036 299 S CA 1.133 59.312 58.200 -0.035 0.000 1.013 299 S CB -0.314 62.846 63.200 -0.066 0.000 0.820 299 S HN 0.482 nan 8.310 nan 0.000 0.476 300 F N 1.606 121.559 119.950 0.004 0.000 2.732 300 F HA 0.418 4.945 4.527 -0.000 0.000 0.303 300 F C 1.709 177.511 175.800 0.002 0.000 1.110 300 F CA -0.784 57.214 58.000 -0.003 0.000 1.355 300 F CB -0.871 38.116 39.000 -0.022 0.000 1.081 300 F HN 0.305 nan 8.300 nan 0.000 0.565 301 G N 1.691 110.590 108.800 0.165 0.000 2.422 301 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.290 301 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.290 301 G C -0.243 174.702 174.900 0.074 0.000 1.059 301 G CA -0.058 45.097 45.100 0.092 0.000 1.242 301 G HN 0.250 nan 8.290 nan 0.000 0.520 302 M N -0.086 119.540 119.600 0.044 0.000 2.690 302 M HA 0.396 4.876 4.480 -0.000 0.000 0.302 302 M C -0.694 175.598 176.300 -0.013 0.000 1.234 302 M CA -0.988 54.322 55.300 0.016 0.000 0.853 302 M CB 1.853 34.459 32.600 0.011 0.000 1.748 302 M HN 0.177 nan 8.290 nan 0.000 0.469 303 D N 1.672 122.058 120.400 -0.024 0.000 2.316 303 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 303 D C -1.577 174.695 176.300 -0.047 0.000 1.171 303 D CA 0.011 53.995 54.000 -0.027 0.000 0.856 303 D CB 0.873 41.664 40.800 -0.016 0.000 1.090 303 D HN 0.215 nan 8.370 nan 0.000 0.476 304 V N 3.600 123.483 119.914 -0.052 0.000 2.531 304 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 304 V C 0.151 176.201 176.094 -0.073 0.000 1.034 304 V CA -0.576 61.681 62.300 -0.072 0.000 0.865 304 V CB 2.185 33.957 31.823 -0.085 0.000 0.995 304 V HN 0.559 nan 8.190 nan 0.000 0.424 305 T N 5.747 120.246 114.554 -0.092 0.000 2.886 305 T HA 0.711 5.060 4.350 -0.000 0.000 0.292 305 T C -0.879 173.719 174.700 -0.169 0.000 1.012 305 T CA -0.385 61.644 62.100 -0.119 0.000 0.982 305 T CB 1.462 70.269 68.868 -0.102 0.000 1.018 305 T HN 0.297 nan 8.240 nan 0.000 0.451 306 L N 3.364 124.484 121.223 -0.171 0.000 2.307 306 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 306 L C -0.544 176.182 176.870 -0.239 0.000 1.023 306 L CA -0.491 54.240 54.840 -0.182 0.000 0.810 306 L CB 1.103 43.080 42.059 -0.136 0.000 1.231 306 L HN 0.411 nan 8.230 nan 0.000 0.423 307 L N 2.882 123.947 121.223 -0.264 0.000 2.287 307 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 307 L C -0.414 176.312 176.870 -0.240 0.000 1.022 307 L CA -0.527 54.134 54.840 -0.299 0.000 0.814 307 L CB 1.620 43.469 42.059 -0.349 0.000 1.217 307 L HN 0.523 nan 8.230 nan 0.000 0.420 308 E N 2.076 122.127 120.200 -0.249 0.000 2.199 308 E HA 0.516 4.866 4.350 -0.000 0.000 0.265 308 E C 0.144 176.534 176.600 -0.350 0.000 0.882 308 E CA -0.348 55.900 56.400 -0.253 0.000 0.759 308 E CB 2.114 31.698 29.700 -0.192 0.000 1.148 308 E HN 0.565 nan 8.360 nan 0.000 0.412 309 A N 5.227 127.736 122.820 -0.519 0.000 1.930 309 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 309 A C 1.114 178.265 177.584 -0.722 0.000 1.175 309 A CA 0.870 52.392 52.037 -0.858 0.000 0.627 309 A CB -0.172 17.788 19.000 -1.732 0.000 0.815 309 A HN 0.594 nan 8.150 nan 0.000 0.443 310 R N 0.168 120.344 120.500 -0.541 0.000 2.652 310 R HA 0.213 4.553 4.340 -0.000 0.000 0.272 310 R C -0.148 176.063 176.300 -0.148 0.000 1.162 310 R CA 0.300 56.248 56.100 -0.253 0.000 1.199 310 R CB 0.120 30.355 30.300 -0.108 0.000 1.166 310 R HN 0.487 nan 8.270 nan 0.000 0.597 311 D N 0.254 120.618 120.400 -0.061 0.000 2.463 311 D HA 0.043 4.683 4.640 -0.000 0.000 0.224 311 D C -0.236 176.048 176.300 -0.027 0.000 1.174 311 D CA -0.155 53.819 54.000 -0.043 0.000 0.829 311 D CB 0.138 40.930 40.800 -0.014 0.000 0.993 311 D HN 0.419 nan 8.370 nan 0.000 0.497 312 R N -0.988 119.496 120.500 -0.027 0.000 2.710 312 R HA 0.547 4.887 4.340 -0.000 0.000 0.270 312 R C -0.080 176.208 176.300 -0.020 0.000 1.021 312 R CA -1.050 55.043 56.100 -0.011 0.000 0.889 312 R CB 1.056 31.367 30.300 0.018 0.000 1.243 312 R HN -0.142 nan 8.270 nan 0.000 0.464 313 V N -1.126 118.778 119.914 -0.017 0.000 3.697 313 V HA 0.644 4.763 4.120 -0.000 0.000 0.285 313 V C 1.272 177.369 176.094 0.005 0.000 1.041 313 V CA 0.527 62.816 62.300 -0.019 0.000 1.045 313 V CB 0.378 32.188 31.823 -0.023 0.000 1.227 313 V HN 1.191 nan 8.190 nan 0.000 0.448 314 G N -1.594 107.205 108.800 -0.002 0.000 2.258 314 G HA2 0.043 4.003 3.960 -0.000 0.000 0.233 314 G HA3 0.043 4.003 3.960 -0.000 0.000 0.233 314 G C 1.608 176.521 174.900 0.022 0.000 1.006 314 G CA 0.744 45.845 45.100 0.001 0.000 0.620 314 G HN 2.635 nan 8.290 nan 0.000 0.511 315 G N 0.428 109.264 108.800 0.060 0.000 2.651 315 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.315 315 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.315 315 G C 0.820 175.821 174.900 0.169 0.000 1.258 315 G CA 1.321 46.492 45.100 0.119 0.000 1.002 315 G HN 1.213 nan 8.290 nan 0.000 0.551 316 R N -0.262 120.301 120.500 0.105 0.000 2.362 316 R HA 0.224 4.564 4.340 -0.000 0.000 0.204 316 R C 0.392 176.664 176.300 -0.046 0.000 1.088 316 R CA 0.331 56.424 56.100 -0.013 0.000 1.121 316 R CB -0.199 30.001 30.300 -0.166 0.000 0.954 316 R HN 0.185 nan 8.270 nan 0.000 0.478 317 V N 1.569 121.484 119.914 0.001 0.000 2.204 317 V HA 0.286 4.406 4.120 -0.000 0.000 0.264 317 V C 0.084 176.233 176.094 0.091 0.000 1.106 317 V CA -0.603 61.671 62.300 -0.043 0.000 0.947 317 V CB 0.711 32.413 31.823 -0.200 0.000 1.164 317 V HN 0.185 nan 8.190 nan 0.000 0.461 318 A N 2.826 125.772 122.820 0.209 0.000 2.327 318 A HA 0.775 5.094 4.320 -0.000 0.000 0.283 318 A C 0.340 178.044 177.584 0.200 0.000 1.127 318 A CA -0.099 52.076 52.037 0.230 0.000 0.810 318 A CB 0.542 19.733 19.000 0.317 0.000 1.066 318 A HN 0.540 nan 8.150 nan 0.000 0.492 319 T N 2.151 116.805 114.554 0.167 0.000 2.879 319 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 319 T C -0.956 173.839 174.700 0.159 0.000 0.993 319 T CA -0.155 62.037 62.100 0.153 0.000 0.975 319 T CB 0.711 69.647 68.868 0.114 0.000 0.981 319 T HN 0.500 nan 8.240 nan 0.000 0.439 320 F N 3.867 123.815 119.950 -0.003 0.000 2.410 320 F HA 0.694 5.221 4.527 -0.000 0.000 0.348 320 F C 0.113 175.897 175.800 -0.027 0.000 1.106 320 F CA -0.832 57.157 58.000 -0.017 0.000 1.163 320 F CB 0.513 39.494 39.000 -0.033 0.000 1.129 320 F HN 0.411 nan 8.300 nan 0.000 0.516 321 R N 4.739 124.828 120.500 -0.686 0.000 2.686 321 R HA 0.630 4.970 4.340 -0.000 0.000 0.283 321 R C -1.433 174.388 176.300 -0.798 0.000 0.978 321 R CA -1.126 54.594 56.100 -0.634 0.000 0.897 321 R CB 2.117 32.252 30.300 -0.274 0.000 1.192 321 R HN 0.682 nan 8.270 nan 0.000 0.457 322 K N 1.188 121.239 120.400 -0.581 0.000 2.594 322 K HA 0.260 4.580 4.320 -0.000 0.000 0.262 322 K C -0.040 176.413 176.600 -0.246 0.000 0.954 322 K CA 0.320 56.398 56.287 -0.349 0.000 0.917 322 K CB 1.377 33.702 32.500 -0.293 0.000 1.343 322 K HN 0.683 nan 8.250 nan 0.000 0.428 323 G N 3.594 112.275 108.800 -0.199 0.000 2.690 323 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.334 323 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.334 323 G C 0.275 175.054 174.900 -0.202 0.000 1.250 323 G CA 0.810 45.781 45.100 -0.214 0.000 0.994 323 G HN 0.725 nan 8.290 nan 0.000 0.549 324 N N 0.065 118.614 118.700 -0.252 0.000 2.184 324 N HA 0.152 4.892 4.740 -0.000 0.000 0.206 324 N C -0.225 175.262 175.510 -0.039 0.000 1.151 324 N CA 0.039 53.008 53.050 -0.135 0.000 0.878 324 N CB 0.601 39.032 38.487 -0.094 0.000 1.014 324 N HN 0.407 nan 8.380 nan 0.000 0.512 325 Y N 1.242 121.492 120.300 -0.084 0.000 2.526 325 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 325 Y C 0.650 176.414 175.900 -0.227 0.000 1.156 325 Y CA -0.634 57.411 58.100 -0.092 0.000 1.419 325 Y CB 0.630 39.089 38.460 -0.001 0.000 1.250 325 Y HN -0.303 nan 8.280 nan 0.000 0.540 326 V N 2.515 122.378 119.914 -0.084 0.000 2.624 326 V HA 0.736 4.855 4.120 -0.000 0.000 0.294 326 V C -0.870 174.881 176.094 -0.573 0.000 1.077 326 V CA -0.945 61.202 62.300 -0.254 0.000 0.905 326 V CB 1.482 33.192 31.823 -0.188 0.000 1.025 326 V HN 0.861 nan 8.190 nan 0.000 0.440 327 A N 3.482 126.116 122.820 -0.311 0.000 2.465 327 A HA 0.704 5.024 4.320 -0.000 0.000 0.292 327 A C -0.978 176.630 177.584 0.040 0.000 1.041 327 A CA -0.707 51.106 52.037 -0.374 0.000 0.718 327 A CB 1.127 20.032 19.000 -0.158 0.000 1.266 327 A HN 0.652 nan 8.150 nan 0.000 0.403 328 D N 1.938 122.435 120.400 0.161 0.000 2.414 328 D HA 0.269 4.909 4.640 -0.000 0.000 0.242 328 D C 0.534 176.945 176.300 0.185 0.000 1.129 328 D CA 0.234 54.358 54.000 0.206 0.000 0.885 328 D CB 1.515 42.466 40.800 0.250 0.000 1.198 328 D HN 0.413 nan 8.370 nan 0.000 0.437 329 L N 1.340 122.696 121.223 0.221 0.000 2.766 329 L HA 0.222 4.562 4.340 -0.000 0.000 0.242 329 L C 1.489 178.613 176.870 0.424 0.000 1.136 329 L CA 0.025 55.027 54.840 0.270 0.000 0.933 329 L CB 0.618 42.812 42.059 0.226 0.000 1.241 329 L HN 0.422 nan 8.230 nan 0.000 0.522 330 G N -0.570 108.412 108.800 0.303 0.000 3.271 330 G HA2 0.612 4.572 3.960 -0.000 0.000 0.174 330 G HA3 0.612 4.572 3.960 -0.000 0.000 0.174 330 G C -0.056 174.874 174.900 0.051 0.000 1.385 330 G CA 0.170 45.364 45.100 0.157 0.000 0.979 330 G HN 0.158 nan 8.290 nan 0.000 0.610 331 A N -1.070 121.746 122.820 -0.006 0.000 2.366 331 A HA 0.583 4.903 4.320 -0.000 0.000 0.250 331 A C 0.706 178.478 177.584 0.313 0.000 1.099 331 A CA 0.987 53.066 52.037 0.070 0.000 0.794 331 A CB 0.809 19.783 19.000 -0.043 0.000 1.056 331 A HN 0.909 nan 8.150 nan 0.000 0.499 332 M N -0.474 119.305 119.600 0.299 0.000 1.630 332 M HA 0.172 4.652 4.480 -0.000 0.000 0.257 332 M C -1.241 175.052 176.300 -0.012 0.000 0.943 332 M CA 0.395 55.757 55.300 0.104 0.000 0.983 332 M CB 0.485 33.030 32.600 -0.091 0.000 1.922 332 M HN 0.394 nan 8.290 nan 0.000 0.709 333 V N 2.376 122.314 119.914 0.039 0.000 2.513 333 V HA 0.486 4.606 4.120 -0.000 0.000 0.299 333 V C -0.327 175.799 176.094 0.053 0.000 1.035 333 V CA -0.752 61.574 62.300 0.044 0.000 0.889 333 V CB 1.781 33.684 31.823 0.133 0.000 0.988 333 V HN 0.082 nan 8.190 nan 0.000 0.440 334 V N 3.736 123.648 119.914 -0.003 0.000 2.481 334 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 334 V C 0.924 176.998 176.094 -0.034 0.000 1.042 334 V CA -0.182 62.138 62.300 0.032 0.000 0.928 334 V CB 1.816 33.630 31.823 -0.016 0.000 0.986 334 V HN 1.028 nan 8.190 nan 0.000 0.462 335 T N 0.632 115.169 114.554 -0.030 0.000 3.285 335 T HA 0.542 4.892 4.350 -0.000 0.000 0.232 335 T C 0.490 175.122 174.700 -0.113 0.000 0.973 335 T CA 0.168 62.030 62.100 -0.397 0.000 1.023 335 T CB -0.573 68.131 68.868 -0.273 0.000 1.158 335 T HN 1.759 nan 8.240 nan 0.000 0.590 336 G N 1.052 109.854 108.800 0.005 0.000 3.019 336 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.686 336 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.686 336 G C 0.118 175.026 174.900 0.013 0.000 1.056 336 G CA -0.502 44.672 45.100 0.123 0.000 0.774 336 G HN 0.505 nan 8.290 nan 0.000 0.583 337 L N 1.526 122.736 121.223 -0.021 0.000 2.492 337 L HA 0.211 4.551 4.340 -0.000 0.000 0.223 337 L C 2.282 179.038 176.870 -0.190 0.000 1.132 337 L CA 0.649 55.407 54.840 -0.138 0.000 0.850 337 L CB -0.166 41.853 42.059 -0.065 0.000 0.966 337 L HN 0.813 nan 8.230 nan 0.000 0.454 338 G N 0.543 109.324 108.800 -0.031 0.000 2.687 338 G HA2 0.310 4.270 3.960 -0.000 0.000 0.288 338 G HA3 0.310 4.270 3.960 -0.000 0.000 0.288 338 G C 1.101 175.903 174.900 -0.164 0.000 0.713 338 G CA 0.526 45.690 45.100 0.107 0.000 2.023 338 G HN 0.479 nan 8.290 nan 0.000 0.529 339 G N 1.404 109.978 108.800 -0.378 0.000 2.159 339 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.227 339 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.227 339 G C 0.393 174.788 174.900 -0.841 0.000 0.986 339 G CA 0.017 44.787 45.100 -0.549 0.000 0.651 339 G HN 0.901 nan 8.290 nan 0.000 0.523 340 N N 1.287 119.256 118.700 -1.218 0.000 2.422 340 N HA 0.355 5.095 4.740 -0.000 0.000 0.264 340 N C -0.354 174.852 175.510 -0.508 0.000 1.063 340 N CA -1.741 50.388 53.050 -1.535 0.000 0.959 340 N CB 1.857 39.502 38.487 -1.403 0.000 1.087 340 N HN 0.063 nan 8.380 nan 0.000 0.483 341 P HA -0.182 nan 4.420 nan 0.000 0.217 341 P C 1.485 178.843 177.300 0.095 0.000 1.148 341 P CA 1.257 64.366 63.100 0.015 0.000 0.828 341 P CB 0.198 31.897 31.700 -0.003 0.000 0.783 342 M N -0.519 119.104 119.600 0.039 0.000 2.267 342 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 342 M C 2.280 178.596 176.300 0.027 0.000 1.063 342 M CA 1.506 56.856 55.300 0.085 0.000 1.090 342 M CB -1.973 30.696 32.600 0.116 0.000 1.392 342 M HN -0.070 nan 8.290 nan 0.000 0.422 343 A N 0.324 123.112 122.820 -0.054 0.000 1.940 343 A HA -0.160 4.160 4.320 -0.000 0.000 0.221 343 A C 2.511 180.072 177.584 -0.040 0.000 1.190 343 A CA 2.392 54.390 52.037 -0.065 0.000 0.647 343 A CB -1.068 17.864 19.000 -0.114 0.000 0.821 343 A HN 0.326 nan 8.150 nan 0.000 0.457 344 V N -0.705 119.208 119.914 -0.003 0.000 2.283 344 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 344 V C 2.569 178.649 176.094 -0.023 0.000 1.039 344 V CA 1.784 64.054 62.300 -0.049 0.000 1.016 344 V CB -0.760 31.045 31.823 -0.029 0.000 0.650 344 V HN 0.378 nan 8.190 nan 0.000 0.449 345 V N 1.394 121.351 119.914 0.071 0.000 2.380 345 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 345 V C 2.678 178.797 176.094 0.041 0.000 1.063 345 V CA 2.440 64.790 62.300 0.083 0.000 1.055 345 V CB -1.107 30.803 31.823 0.145 0.000 0.657 345 V HN 0.767 nan 8.190 nan 0.000 0.455 346 S N -0.075 115.641 115.700 0.025 0.000 2.383 346 S HA -0.252 4.218 4.470 -0.000 0.000 0.229 346 S C 1.892 176.483 174.600 -0.015 0.000 1.030 346 S CA 1.502 59.705 58.200 0.006 0.000 1.002 346 S CB -0.399 62.796 63.200 -0.008 0.000 0.829 346 S HN 0.644 nan 8.310 nan 0.000 0.467 347 K N 0.951 121.327 120.400 -0.041 0.000 2.103 347 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 347 K C 2.581 179.150 176.600 -0.052 0.000 1.052 347 K CA 1.084 57.334 56.287 -0.061 0.000 0.945 347 K CB -0.158 32.276 32.500 -0.110 0.000 0.722 347 K HN 0.477 nan 8.250 nan 0.000 0.443 348 Q N 0.180 119.956 119.800 -0.041 0.000 2.172 348 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 348 Q C 0.149 176.150 176.000 0.002 0.000 0.964 348 Q CA 0.616 56.408 55.803 -0.019 0.000 0.855 348 Q CB 0.499 29.242 28.738 0.009 0.000 0.918 348 Q HN 0.016 nan 8.270 nan 0.000 0.444 349 V N 1.327 121.248 119.914 0.012 0.000 2.715 349 V HA 0.148 4.267 4.120 -0.000 0.000 0.310 349 V C -0.353 175.751 176.094 0.016 0.000 1.054 349 V CA -1.073 61.239 62.300 0.021 0.000 0.928 349 V CB 1.761 33.608 31.823 0.041 0.000 1.007 349 V HN 0.108 nan 8.190 nan 0.000 0.437 350 N N 4.623 123.333 118.700 0.016 0.000 2.498 350 N HA 0.248 4.988 4.740 -0.000 0.000 0.277 350 N C -0.494 175.030 175.510 0.022 0.000 1.208 350 N CA 0.017 53.075 53.050 0.014 0.000 1.029 350 N CB -0.213 38.281 38.487 0.012 0.000 1.403 350 N HN 0.673 nan 8.380 nan 0.000 0.500 351 M N 0.108 119.719 119.600 0.019 0.000 2.311 351 M HA 0.469 4.949 4.480 -0.000 0.000 0.325 351 M C -0.543 175.762 176.300 0.008 0.000 1.061 351 M CA -0.770 54.540 55.300 0.016 0.000 0.957 351 M CB 2.076 34.681 32.600 0.008 0.000 1.646 351 M HN 0.063 nan 8.290 nan 0.000 0.434 352 E N 3.756 123.966 120.200 0.017 0.000 2.052 352 E HA 0.370 4.720 4.350 -0.000 0.000 0.283 352 E C -1.173 175.433 176.600 0.011 0.000 1.071 352 E CA -0.222 56.191 56.400 0.021 0.000 0.851 352 E CB 1.104 30.828 29.700 0.041 0.000 1.066 352 E HN 0.618 nan 8.360 nan 0.000 0.396 353 L N 3.233 124.458 121.223 0.003 0.000 2.255 353 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 353 L C -0.093 176.786 176.870 0.015 0.000 1.046 353 L CA -0.537 54.300 54.840 -0.005 0.000 0.816 353 L CB 1.005 43.058 42.059 -0.011 0.000 1.197 353 L HN 0.510 nan 8.230 nan 0.000 0.427 354 A N 5.126 127.958 122.820 0.020 0.000 2.337 354 A HA 0.614 4.934 4.320 -0.000 0.000 0.329 354 A C -0.321 177.293 177.584 0.051 0.000 1.146 354 A CA -0.779 51.279 52.037 0.036 0.000 0.800 354 A CB 1.077 20.100 19.000 0.038 0.000 1.220 354 A HN 0.678 nan 8.150 nan 0.000 0.472 355 K N 1.040 121.478 120.400 0.063 0.000 2.120 355 K HA 0.464 4.784 4.320 -0.000 0.000 0.245 355 K C -0.894 175.767 176.600 0.101 0.000 1.024 355 K CA -0.112 56.227 56.287 0.087 0.000 0.906 355 K CB 0.829 33.377 32.500 0.080 0.000 1.051 355 K HN 0.574 nan 8.250 nan 0.000 0.491 356 I N 2.127 122.775 120.570 0.129 0.000 2.328 356 I HA 0.095 4.265 4.170 -0.000 0.000 0.287 356 I C -0.118 176.051 176.117 0.086 0.000 1.012 356 I CA -0.541 60.836 61.300 0.128 0.000 1.195 356 I CB 1.034 39.148 38.000 0.191 0.000 1.350 356 I HN 0.294 nan 8.210 nan 0.000 0.464 357 K N 6.808 127.246 120.400 0.064 0.000 2.315 357 K HA 0.098 4.418 4.320 -0.000 0.000 0.291 357 K C 0.652 177.272 176.600 0.033 0.000 1.074 357 K CA -0.432 55.885 56.287 0.050 0.000 0.936 357 K CB 0.725 33.255 32.500 0.051 0.000 1.049 357 K HN 0.491 nan 8.250 nan 0.000 0.471 358 Q N 1.404 121.224 119.800 0.034 0.000 2.561 358 Q HA -0.101 4.239 4.340 -0.000 0.000 0.217 358 Q C 0.131 176.144 176.000 0.022 0.000 0.980 358 Q CA 0.907 56.725 55.803 0.026 0.000 0.927 358 Q CB 0.013 28.771 28.738 0.033 0.000 0.980 358 Q HN 0.350 nan 8.270 nan 0.000 0.525 359 K N 0.953 121.366 120.400 0.022 0.000 2.338 359 K HA 0.088 4.408 4.320 -0.000 0.000 0.290 359 K C -0.904 175.705 176.600 0.015 0.000 1.069 359 K CA -0.023 56.277 56.287 0.022 0.000 0.941 359 K CB 0.459 32.976 32.500 0.028 0.000 1.023 359 K HN 0.058 nan 8.250 nan 0.000 0.477 360 C N 8.259 127.560 119.300 0.003 0.000 2.455 360 C HA 0.425 4.885 4.460 -0.000 0.000 0.321 360 C C -2.423 172.544 174.990 -0.038 0.000 1.102 360 C CA -2.010 57.003 59.018 -0.008 0.000 1.413 360 C CB 0.345 28.071 27.740 -0.023 0.000 1.952 360 C HN 0.636 nan 8.230 nan 0.000 0.428 361 P HA 0.292 nan 4.420 nan 0.000 0.271 361 P C -0.933 176.400 177.300 0.056 0.000 1.216 361 P CA 0.243 63.361 63.100 0.030 0.000 0.776 361 P CB 0.825 32.633 31.700 0.180 0.000 0.881 362 L N 2.827 123.942 121.223 -0.180 0.000 2.334 362 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 362 L C -0.501 176.254 176.870 -0.192 0.000 1.020 362 L CA -0.907 53.805 54.840 -0.214 0.000 0.812 362 L CB 1.071 42.798 42.059 -0.553 0.000 1.264 362 L HN 0.319 nan 8.230 nan 0.000 0.439 363 Y N 0.248 120.413 120.300 -0.224 0.000 2.373 363 Y HA 0.271 4.821 4.550 -0.000 0.000 0.327 363 Y C 0.157 175.956 175.900 -0.168 0.000 1.036 363 Y CA -0.931 57.066 58.100 -0.172 0.000 1.265 363 Y CB 1.145 39.521 38.460 -0.140 0.000 1.108 363 Y HN 0.551 nan 8.280 nan 0.000 0.471 364 E N 1.072 121.221 120.200 -0.085 0.000 2.492 364 E HA 0.040 4.390 4.350 -0.000 0.000 0.266 364 E C 1.115 177.678 176.600 -0.062 0.000 1.187 364 E CA 0.587 56.930 56.400 -0.096 0.000 1.036 364 E CB 0.685 30.333 29.700 -0.086 0.000 0.994 364 E HN 0.811 nan 8.360 nan 0.000 0.468 365 A N 2.414 125.194 122.820 -0.067 0.000 1.915 365 A HA -0.363 3.957 4.320 -0.000 0.000 0.220 365 A C 1.809 179.431 177.584 0.064 0.000 1.198 365 A CA 2.643 54.686 52.037 0.010 0.000 0.647 365 A CB -1.154 17.864 19.000 0.030 0.000 0.825 365 A HN 0.816 nan 8.150 nan 0.000 0.456 366 N N -1.162 117.555 118.700 0.027 0.000 2.149 366 N HA 0.160 4.900 4.740 -0.000 0.000 0.188 366 N C 1.113 176.645 175.510 0.036 0.000 1.019 366 N CA 2.266 55.331 53.050 0.026 0.000 0.857 366 N CB -0.637 37.849 38.487 -0.002 0.000 0.997 366 N HN 1.219 nan 8.380 nan 0.000 0.426 367 G N -1.591 107.236 108.800 0.045 0.000 2.151 367 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.156 367 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.156 367 G C -0.772 174.149 174.900 0.034 0.000 1.017 367 G CA -0.084 45.056 45.100 0.067 0.000 0.686 367 G HN 0.527 nan 8.290 nan 0.000 0.503 368 Q N -0.326 119.450 119.800 -0.040 0.000 2.356 368 Q HA 0.705 5.045 4.340 -0.000 0.000 0.270 368 Q C 0.546 176.358 176.000 -0.312 0.000 1.058 368 Q CA -0.300 55.414 55.803 -0.147 0.000 0.802 368 Q CB 2.134 30.803 28.738 -0.115 0.000 1.303 368 Q HN 0.971 nan 8.270 nan 0.000 0.444 369 A N 1.669 124.171 122.820 -0.530 0.000 2.615 369 A HA 0.059 4.379 4.320 -0.000 0.000 0.230 369 A C -0.053 177.289 177.584 -0.403 0.000 1.062 369 A CA 0.068 51.688 52.037 -0.694 0.000 0.758 369 A CB 0.158 18.805 19.000 -0.588 0.000 0.995 369 A HN 0.483 nan 8.150 nan 0.000 0.511 370 V N 4.842 124.524 119.914 -0.386 0.000 2.406 370 V HA 0.277 4.397 4.120 -0.000 0.000 0.272 370 V C -1.924 174.041 176.094 -0.215 0.000 1.043 370 V CA -1.218 60.931 62.300 -0.252 0.000 0.915 370 V CB 0.879 32.563 31.823 -0.231 0.000 0.988 370 V HN 0.824 nan 8.190 nan 0.000 0.466 371 P HA 0.070 nan 4.420 nan 0.000 0.265 371 P C 0.844 178.078 177.300 -0.109 0.000 1.187 371 P CA -0.080 62.944 63.100 -0.127 0.000 0.766 371 P CB 0.438 32.077 31.700 -0.101 0.000 0.820 372 K N 1.848 122.193 120.400 -0.093 0.000 2.286 372 K HA -0.206 4.114 4.320 -0.000 0.000 0.203 372 K C 1.438 178.000 176.600 -0.063 0.000 1.045 372 K CA 1.098 57.341 56.287 -0.073 0.000 0.935 372 K CB -0.076 32.390 32.500 -0.057 0.000 0.737 372 K HN 0.482 nan 8.250 nan 0.000 0.460 373 E N 1.729 121.891 120.200 -0.065 0.000 2.012 373 E HA -0.182 4.168 4.350 -0.000 0.000 0.211 373 E C 1.963 178.526 176.600 -0.062 0.000 1.029 373 E CA 1.430 57.795 56.400 -0.059 0.000 0.867 373 E CB -0.097 29.567 29.700 -0.060 0.000 0.790 373 E HN 0.262 nan 8.360 nan 0.000 0.482 374 K N 0.424 120.781 120.400 -0.072 0.000 1.973 374 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 374 K C 1.972 178.528 176.600 -0.073 0.000 1.047 374 K CA 1.172 57.414 56.287 -0.076 0.000 0.937 374 K CB -0.473 31.977 32.500 -0.083 0.000 0.721 374 K HN 0.137 nan 8.250 nan 0.000 0.440 375 D N 1.111 121.462 120.400 -0.081 0.000 2.347 375 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 375 D C 1.695 177.974 176.300 -0.036 0.000 1.020 375 D CA 1.790 55.749 54.000 -0.069 0.000 0.875 375 D CB 0.046 40.791 40.800 -0.093 0.000 0.928 375 D HN 0.306 nan 8.370 nan 0.000 0.454 376 E N -0.651 119.526 120.200 -0.040 0.000 2.072 376 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 376 E C 2.134 178.712 176.600 -0.037 0.000 0.982 376 E CA 0.373 56.758 56.400 -0.025 0.000 0.803 376 E CB -0.144 29.543 29.700 -0.023 0.000 0.755 376 E HN 0.339 nan 8.360 nan 0.000 0.453 377 M N 1.067 120.636 119.600 -0.052 0.000 2.159 377 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 377 M C 1.986 178.237 176.300 -0.082 0.000 1.063 377 M CA 1.362 56.625 55.300 -0.062 0.000 1.110 377 M CB 0.053 32.611 32.600 -0.070 0.000 1.374 377 M HN 0.015 nan 8.290 nan 0.000 0.411 378 V N 0.718 120.571 119.914 -0.102 0.000 2.255 378 V HA -0.252 3.868 4.120 -0.000 0.000 0.243 378 V C 2.253 178.207 176.094 -0.234 0.000 1.038 378 V CA 2.247 64.457 62.300 -0.151 0.000 1.008 378 V CB -1.318 30.421 31.823 -0.140 0.000 0.645 378 V HN 0.573 nan 8.190 nan 0.000 0.449 379 E N 0.508 120.523 120.200 -0.308 0.000 2.068 379 E HA -0.374 3.976 4.350 -0.000 0.000 0.207 379 E C 2.337 178.912 176.600 -0.041 0.000 1.032 379 E CA 2.424 58.636 56.400 -0.312 0.000 0.839 379 E CB -0.431 29.276 29.700 0.012 0.000 0.758 379 E HN 0.609 nan 8.360 nan 0.000 0.457 380 Q N -0.229 119.556 119.800 -0.025 0.000 2.226 380 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 380 Q C 1.900 177.895 176.000 -0.008 0.000 0.975 380 Q CA 1.699 57.500 55.803 -0.003 0.000 0.866 380 Q CB 0.004 28.737 28.738 -0.009 0.000 0.915 380 Q HN 0.259 nan 8.270 nan 0.000 0.440 381 E N 0.053 120.241 120.200 -0.020 0.000 2.046 381 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 381 E C 1.556 178.193 176.600 0.062 0.000 0.982 381 E CA 0.821 57.225 56.400 0.006 0.000 0.800 381 E CB -0.623 29.053 29.700 -0.040 0.000 0.756 381 E HN 0.343 nan 8.360 nan 0.000 0.449 382 F N 2.111 121.974 119.950 -0.145 0.000 2.032 382 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 382 F C 1.749 177.544 175.800 -0.007 0.000 1.125 382 F CA 2.265 60.179 58.000 -0.144 0.000 1.202 382 F CB -0.935 37.876 39.000 -0.315 0.000 0.958 382 F HN 0.091 nan 8.300 nan 0.000 0.491 383 N N 0.582 119.109 118.700 -0.288 0.000 2.205 383 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 383 N C 1.986 177.397 175.510 -0.165 0.000 1.015 383 N CA 1.559 54.406 53.050 -0.337 0.000 0.862 383 N CB -0.422 37.988 38.487 -0.129 0.000 0.986 383 N HN 0.467 nan 8.380 nan 0.000 0.429 384 R N 0.663 121.121 120.500 -0.071 0.000 2.066 384 R HA 0.074 4.414 4.340 -0.000 0.000 0.232 384 R C 2.422 178.725 176.300 0.005 0.000 1.131 384 R CA 0.645 56.734 56.100 -0.018 0.000 0.955 384 R CB -0.420 29.885 30.300 0.008 0.000 0.851 384 R HN 0.143 nan 8.270 nan 0.000 0.432 385 L N 0.791 122.039 121.223 0.041 0.000 2.079 385 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 385 L C 2.332 179.247 176.870 0.077 0.000 1.081 385 L CA 1.172 56.072 54.840 0.100 0.000 0.752 385 L CB -0.386 41.803 42.059 0.217 0.000 0.896 385 L HN 0.235 nan 8.230 nan 0.000 0.433 386 L N -0.510 120.704 121.223 -0.014 0.000 1.937 386 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 386 L C 2.533 179.457 176.870 0.090 0.000 1.077 386 L CA 1.516 56.368 54.840 0.019 0.000 0.758 386 L CB -0.537 41.459 42.059 -0.104 0.000 0.888 386 L HN 0.225 nan 8.230 nan 0.000 0.433 387 E N -0.103 120.133 120.200 0.060 0.000 2.233 387 E HA -0.364 3.986 4.350 -0.000 0.000 0.210 387 E C 2.051 178.725 176.600 0.123 0.000 1.046 387 E CA 1.429 57.885 56.400 0.093 0.000 0.844 387 E CB -0.333 29.396 29.700 0.049 0.000 0.741 387 E HN 0.582 nan 8.360 nan 0.000 0.465 388 A N 1.196 124.068 122.820 0.087 0.000 1.859 388 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 388 A C 2.536 180.214 177.584 0.155 0.000 1.198 388 A CA 2.903 54.995 52.037 0.092 0.000 0.629 388 A CB -1.513 17.519 19.000 0.053 0.000 0.830 388 A HN 0.483 nan 8.150 nan 0.000 0.446 389 T N -2.799 111.837 114.554 0.136 0.000 2.684 389 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 389 T C 2.065 176.851 174.700 0.143 0.000 1.036 389 T CA 2.177 64.361 62.100 0.141 0.000 1.148 389 T CB -0.934 68.013 68.868 0.131 0.000 0.863 389 T HN 0.412 nan 8.240 nan 0.000 0.436 390 S N 0.233 116.036 115.700 0.171 0.000 2.387 390 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 390 S C 1.762 176.461 174.600 0.166 0.000 1.035 390 S CA 1.412 59.706 58.200 0.157 0.000 1.014 390 S CB -0.814 62.526 63.200 0.232 0.000 0.836 390 S HN 0.711 nan 8.310 nan 0.000 0.466 391 Y N 1.200 121.549 120.300 0.082 0.000 2.163 391 Y HA -0.059 4.491 4.550 -0.000 0.000 0.288 391 Y C 1.870 177.796 175.900 0.044 0.000 1.136 391 Y CA 1.566 59.709 58.100 0.072 0.000 1.147 391 Y CB -0.485 38.002 38.460 0.045 0.000 0.987 391 Y HN 0.231 nan 8.280 nan 0.000 0.509 392 L N -0.269 121.015 121.223 0.102 0.000 2.042 392 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 392 L C 2.898 179.754 176.870 -0.023 0.000 1.076 392 L CA 2.123 56.980 54.840 0.028 0.000 0.749 392 L CB -1.272 40.873 42.059 0.143 0.000 0.893 392 L HN 0.308 nan 8.230 nan 0.000 0.432 393 S N -1.375 114.274 115.700 -0.084 0.000 2.344 393 S HA -0.218 4.252 4.470 -0.000 0.000 0.217 393 S C 1.993 176.429 174.600 -0.272 0.000 1.033 393 S CA 1.684 59.745 58.200 -0.231 0.000 1.017 393 S CB -0.217 62.706 63.200 -0.462 0.000 0.941 393 S HN 0.623 nan 8.310 nan 0.000 0.430 394 H N 0.112 119.144 119.070 -0.063 0.000 2.355 394 H HA 0.173 4.729 4.556 -0.000 0.000 0.303 394 H C 2.591 177.836 175.328 -0.138 0.000 1.061 394 H CA 1.244 57.242 56.048 -0.083 0.000 1.368 394 H CB 0.016 29.742 29.762 -0.059 0.000 1.412 394 H HN 0.343 nan 8.280 nan 0.000 0.523 395 Q N 0.394 120.092 119.800 -0.169 0.000 2.204 395 Q HA 0.070 4.410 4.340 -0.000 0.000 0.198 395 Q C 1.955 177.769 176.000 -0.311 0.000 0.946 395 Q CA 0.747 56.364 55.803 -0.312 0.000 0.859 395 Q CB 0.411 28.748 28.738 -0.668 0.000 0.946 395 Q HN 0.480 nan 8.270 nan 0.000 0.474 396 L N 0.524 121.545 121.223 -0.336 0.000 2.585 396 L HA 0.117 4.457 4.340 -0.000 0.000 0.226 396 L C 0.302 177.153 176.870 -0.032 0.000 1.113 396 L CA -0.053 54.689 54.840 -0.164 0.000 0.876 396 L CB 0.156 42.130 42.059 -0.141 0.000 1.072 396 L HN 0.160 nan 8.230 nan 0.000 0.468 397 D N 0.617 120.999 120.400 -0.031 0.000 2.837 397 D HA -0.270 4.370 4.640 -0.000 0.000 0.230 397 D C -0.030 176.312 176.300 0.069 0.000 1.152 397 D CA 0.366 54.370 54.000 0.006 0.000 0.736 397 D CB -0.841 39.962 40.800 0.004 0.000 1.084 397 D HN 0.204 nan 8.370 nan 0.000 0.429 398 F N 1.457 121.361 119.950 -0.077 0.000 2.661 398 F HA 0.247 4.774 4.527 -0.000 0.000 0.356 398 F C 0.994 176.766 175.800 -0.047 0.000 1.244 398 F CA -0.066 57.903 58.000 -0.051 0.000 1.290 398 F CB -0.220 38.754 39.000 -0.044 0.000 1.677 398 F HN -0.074 nan 8.300 nan 0.000 0.649 399 N N 1.827 120.376 118.700 -0.250 0.000 2.239 399 N HA 0.132 4.872 4.740 -0.000 0.000 0.208 399 N C -0.657 174.702 175.510 -0.251 0.000 1.200 399 N CA 0.339 53.239 53.050 -0.251 0.000 0.895 399 N CB 1.316 39.729 38.487 -0.125 0.000 1.085 399 N HN 0.191 nan 8.380 nan 0.000 0.500 400 V N 1.685 121.453 119.914 -0.245 0.000 2.769 400 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 400 V C -1.063 174.895 176.094 -0.226 0.000 1.061 400 V CA -0.829 61.358 62.300 -0.188 0.000 0.931 400 V CB 2.762 34.529 31.823 -0.093 0.000 1.010 400 V HN -0.057 nan 8.190 nan 0.000 0.433 401 L N 3.856 124.973 121.223 -0.177 0.000 2.611 401 L HA 0.514 4.854 4.340 -0.000 0.000 0.263 401 L C -0.053 176.784 176.870 -0.056 0.000 0.969 401 L CA 0.195 54.964 54.840 -0.120 0.000 0.894 401 L CB 0.955 42.913 42.059 -0.170 0.000 1.229 401 L HN 0.803 nan 8.230 nan 0.000 0.416 402 N N 3.820 122.505 118.700 -0.025 0.000 2.776 402 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 402 N C 0.349 175.847 175.510 -0.020 0.000 1.111 402 N CA 0.550 53.592 53.050 -0.013 0.000 0.711 402 N CB -0.725 37.758 38.487 -0.006 0.000 1.065 402 N HN 0.835 nan 8.380 nan 0.000 0.556 403 N N -1.904 116.780 118.700 -0.028 0.000 2.825 403 N HA -0.157 4.583 4.740 -0.000 0.000 0.206 403 N C -0.740 174.751 175.510 -0.032 0.000 1.057 403 N CA 1.985 55.020 53.050 -0.026 0.000 1.343 403 N CB -0.589 37.888 38.487 -0.016 0.000 0.942 403 N HN 0.458 nan 8.380 nan 0.000 0.562 404 K N 2.113 122.490 120.400 -0.038 0.000 2.295 404 K HA 0.306 4.626 4.320 -0.000 0.000 0.270 404 K C -2.416 174.147 176.600 -0.061 0.000 1.011 404 K CA -1.189 55.075 56.287 -0.039 0.000 0.953 404 K CB 0.017 32.495 32.500 -0.035 0.000 0.956 404 K HN 0.199 nan 8.250 nan 0.000 0.477 405 P HA 0.035 nan 4.420 nan 0.000 0.271 405 P C -0.193 177.056 177.300 -0.084 0.000 1.218 405 P CA -0.336 62.731 63.100 -0.056 0.000 0.780 405 P CB 0.532 32.227 31.700 -0.008 0.000 0.901 406 V N 2.611 122.442 119.914 -0.138 0.000 2.546 406 V HA 0.184 4.304 4.120 -0.000 0.000 0.284 406 V C 1.148 177.189 176.094 -0.089 0.000 1.050 406 V CA -0.018 62.175 62.300 -0.179 0.000 0.981 406 V CB 0.905 32.503 31.823 -0.376 0.000 0.990 406 V HN 0.749 nan 8.190 nan 0.000 0.474 407 S N 4.349 120.009 115.700 -0.067 0.000 2.693 407 S HA 0.416 4.886 4.470 -0.000 0.000 0.276 407 S C 0.779 175.340 174.600 -0.065 0.000 1.192 407 S CA -0.592 57.580 58.200 -0.047 0.000 0.994 407 S CB 1.377 64.544 63.200 -0.055 0.000 1.012 407 S HN 0.520 nan 8.310 nan 0.000 0.550 408 L N 2.152 123.310 121.223 -0.108 0.000 2.012 408 L HA 0.118 4.458 4.340 -0.000 0.000 0.210 408 L C 2.369 179.134 176.870 -0.176 0.000 1.073 408 L CA 2.529 57.258 54.840 -0.184 0.000 0.748 408 L CB -1.478 40.334 42.059 -0.412 0.000 0.891 408 L HN 0.999 nan 8.230 nan 0.000 0.431 409 G N -1.612 107.072 108.800 -0.193 0.000 2.545 409 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.217 409 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.217 409 G C 1.394 176.221 174.900 -0.122 0.000 1.218 409 G CA 0.865 45.843 45.100 -0.204 0.000 0.787 409 G HN 0.512 nan 8.290 nan 0.000 0.571 410 Q N 0.022 119.781 119.800 -0.067 0.000 2.045 410 Q HA -0.324 4.015 4.340 -0.000 0.000 0.215 410 Q C 2.964 178.999 176.000 0.058 0.000 1.026 410 Q CA 2.116 57.919 55.803 0.000 0.000 0.885 410 Q CB -0.463 28.280 28.738 0.009 0.000 0.984 410 Q HN 0.489 nan 8.270 nan 0.000 0.414 411 A N 0.071 122.940 122.820 0.081 0.000 2.019 411 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 411 A C 1.983 179.604 177.584 0.063 0.000 1.164 411 A CA 1.086 53.215 52.037 0.154 0.000 0.644 411 A CB -0.476 18.621 19.000 0.161 0.000 0.805 411 A HN 0.339 nan 8.150 nan 0.000 0.449 412 L N -1.432 119.784 121.223 -0.011 0.000 2.072 412 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 412 L C 2.540 179.409 176.870 -0.002 0.000 1.079 412 L CA 1.378 56.210 54.840 -0.014 0.000 0.752 412 L CB -0.423 41.555 42.059 -0.135 0.000 0.906 412 L HN 0.417 nan 8.230 nan 0.000 0.436 413 E N -0.160 120.022 120.200 -0.030 0.000 2.038 413 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 413 E C 2.200 178.796 176.600 -0.007 0.000 1.000 413 E CA 1.596 57.989 56.400 -0.011 0.000 0.803 413 E CB -0.074 29.617 29.700 -0.014 0.000 0.750 413 E HN 0.136 nan 8.360 nan 0.000 0.448 414 V N 0.031 119.948 119.914 0.006 0.000 2.688 414 V HA -0.214 3.906 4.120 -0.000 0.000 0.256 414 V C 1.967 178.020 176.094 -0.069 0.000 1.084 414 V CA 1.164 63.444 62.300 -0.034 0.000 1.103 414 V CB -0.051 31.742 31.823 -0.050 0.000 0.688 414 V HN 0.179 nan 8.190 nan 0.000 0.480 415 V N -0.825 119.066 119.914 -0.038 0.000 2.379 415 V HA -0.110 4.009 4.120 -0.000 0.000 0.243 415 V C 2.069 178.103 176.094 -0.100 0.000 1.035 415 V CA 1.572 63.840 62.300 -0.053 0.000 1.035 415 V CB -0.152 31.671 31.823 0.001 0.000 0.673 415 V HN 0.391 nan 8.190 nan 0.000 0.457 416 I N -0.231 120.302 120.570 -0.061 0.000 2.127 416 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 416 I C 2.679 178.679 176.117 -0.195 0.000 1.075 416 I CA 1.768 62.993 61.300 -0.126 0.000 1.334 416 I CB -0.310 37.711 38.000 0.035 0.000 1.040 416 I HN 0.371 nan 8.210 nan 0.000 0.405 417 Q N 0.023 119.766 119.800 -0.095 0.000 2.028 417 Q HA -0.306 4.034 4.340 -0.000 0.000 0.213 417 Q C 2.207 178.138 176.000 -0.115 0.000 1.017 417 Q CA 2.096 57.850 55.803 -0.082 0.000 0.875 417 Q CB -0.375 28.333 28.738 -0.049 0.000 0.962 417 Q HN 0.306 nan 8.270 nan 0.000 0.413 418 L N 0.550 121.702 121.223 -0.117 0.000 2.189 418 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 418 L C 2.301 179.092 176.870 -0.131 0.000 1.097 418 L CA 1.660 56.438 54.840 -0.105 0.000 0.764 418 L CB -0.512 41.485 42.059 -0.102 0.000 0.900 418 L HN 0.262 nan 8.230 nan 0.000 0.436 419 Q N -0.793 118.840 119.800 -0.278 0.000 2.137 419 Q HA -0.132 4.208 4.340 -0.000 0.000 0.198 419 Q C 2.174 177.990 176.000 -0.306 0.000 0.960 419 Q CA 1.021 56.573 55.803 -0.418 0.000 0.847 419 Q CB -0.155 27.996 28.738 -0.979 0.000 0.915 419 Q HN 0.572 nan 8.270 nan 0.000 0.448 420 E N 0.791 120.812 120.200 -0.297 0.000 2.051 420 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 420 E C 1.980 178.581 176.600 0.002 0.000 0.991 420 E CA 0.873 57.236 56.400 -0.061 0.000 0.799 420 E CB 0.022 29.705 29.700 -0.027 0.000 0.748 420 E HN 0.165 nan 8.360 nan 0.000 0.449 421 K N 0.665 121.056 120.400 -0.015 0.000 1.991 421 K HA -0.279 4.041 4.320 -0.000 0.000 0.212 421 K C 2.218 178.844 176.600 0.043 0.000 1.049 421 K CA 2.129 58.422 56.287 0.010 0.000 0.932 421 K CB -0.401 32.099 32.500 0.000 0.000 0.717 421 K HN 0.234 nan 8.250 nan 0.000 0.441 422 H N 0.280 119.328 119.070 -0.037 0.000 2.353 422 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 422 H C 1.952 177.291 175.328 0.018 0.000 1.103 422 H CA 2.064 58.104 56.048 -0.012 0.000 1.293 422 H CB -0.159 29.590 29.762 -0.023 0.000 1.372 422 H HN 0.023 nan 8.280 nan 0.000 0.501 423 V N 1.005 120.960 119.914 0.069 0.000 2.250 423 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 423 V C 2.389 178.456 176.094 -0.046 0.000 1.060 423 V CA 2.525 64.840 62.300 0.024 0.000 1.030 423 V CB -0.479 31.437 31.823 0.154 0.000 0.643 423 V HN 0.498 nan 8.190 nan 0.000 0.445 424 K N -0.609 119.784 120.400 -0.011 0.000 1.973 424 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 424 K C 1.944 178.530 176.600 -0.024 0.000 1.047 424 K CA 1.705 57.990 56.287 -0.003 0.000 0.937 424 K CB -0.521 31.982 32.500 0.006 0.000 0.721 424 K HN 0.362 nan 8.250 nan 0.000 0.440 425 D N 0.747 121.119 120.400 -0.047 0.000 2.315 425 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 425 D C 1.748 178.008 176.300 -0.068 0.000 1.010 425 D CA 1.314 55.282 54.000 -0.054 0.000 0.911 425 D CB 0.026 40.787 40.800 -0.065 0.000 0.897 425 D HN 0.288 nan 8.370 nan 0.000 0.455 426 E N -0.088 120.036 120.200 -0.126 0.000 2.075 426 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 426 E C 2.174 178.800 176.600 0.043 0.000 0.969 426 E CA 0.204 56.546 56.400 -0.097 0.000 0.815 426 E CB -0.057 29.517 29.700 -0.209 0.000 0.776 426 E HN 0.389 nan 8.360 nan 0.000 0.457 427 Q N 0.936 120.784 119.800 0.080 0.000 2.014 427 Q HA -0.176 4.164 4.340 -0.000 0.000 0.207 427 Q C 2.370 178.571 176.000 0.335 0.000 0.993 427 Q CA 1.483 57.441 55.803 0.258 0.000 0.850 427 Q CB -0.227 28.646 28.738 0.225 0.000 0.916 427 Q HN 0.250 nan 8.270 nan 0.000 0.417 428 I N 0.869 121.542 120.570 0.172 0.000 2.151 428 I HA -0.396 3.774 4.170 -0.000 0.000 0.236 428 I C 2.258 178.466 176.117 0.152 0.000 1.000 428 I CA 2.187 63.566 61.300 0.131 0.000 1.285 428 I CB -0.636 37.398 38.000 0.055 0.000 0.994 428 I HN 0.428 nan 8.210 nan 0.000 0.396 429 E N -0.269 119.995 120.200 0.106 0.000 2.516 429 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 429 E C 1.871 178.534 176.600 0.105 0.000 1.069 429 E CA 0.872 57.322 56.400 0.084 0.000 0.876 429 E CB -0.400 29.326 29.700 0.044 0.000 0.843 429 E HN 0.633 nan 8.360 nan 0.000 0.530 430 H N -0.194 118.908 119.070 0.053 0.000 2.344 430 H HA -0.030 4.526 4.556 -0.000 0.000 0.307 430 H C 0.861 176.170 175.328 -0.033 0.000 1.057 430 H CA 1.252 57.286 56.048 -0.023 0.000 1.373 430 H CB -0.348 29.366 29.762 -0.081 0.000 1.421 430 H HN 0.310 nan 8.280 nan 0.000 0.532 431 W N 2.018 123.292 121.300 -0.043 0.000 2.374 431 W HA 0.005 4.664 4.660 -0.000 0.000 0.288 431 W C 2.798 179.256 176.519 -0.103 0.000 1.218 431 W CA 0.641 57.917 57.345 -0.115 0.000 1.245 431 W CB -0.080 29.388 29.460 0.014 0.000 1.126 431 W HN 0.169 nan 8.180 nan 0.000 0.545 432 K N 0.761 121.252 120.400 0.151 0.000 2.209 432 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 432 K C 1.904 178.508 176.600 0.006 0.000 1.048 432 K CA 0.955 57.284 56.287 0.070 0.000 0.940 432 K CB -0.089 32.448 32.500 0.062 0.000 0.729 432 K HN 0.031 nan 8.250 nan 0.000 0.451 433 K N 0.509 120.880 120.400 -0.048 0.000 2.228 433 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 433 K C 1.993 178.517 176.600 -0.127 0.000 1.051 433 K CA 0.458 56.692 56.287 -0.089 0.000 0.960 433 K CB 0.102 32.534 32.500 -0.112 0.000 0.743 433 K HN 0.204 nan 8.250 nan 0.000 0.458 434 I N 0.980 121.445 120.570 -0.176 0.000 2.133 434 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 434 I C 2.306 178.393 176.117 -0.050 0.000 1.074 434 I CA 1.142 62.349 61.300 -0.155 0.000 1.342 434 I CB -0.334 37.539 38.000 -0.211 0.000 1.053 434 I HN -0.064 nan 8.210 nan 0.000 0.404 435 V N -0.992 118.924 119.914 0.004 0.000 2.332 435 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 435 V C 2.391 178.483 176.094 -0.002 0.000 1.055 435 V CA 1.920 64.231 62.300 0.017 0.000 1.038 435 V CB -1.084 30.761 31.823 0.037 0.000 0.651 435 V HN 0.379 nan 8.190 nan 0.000 0.450 436 K N -0.215 120.178 120.400 -0.011 0.000 2.209 436 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 436 K C 2.212 178.798 176.600 -0.023 0.000 1.048 436 K CA 1.764 58.042 56.287 -0.015 0.000 0.940 436 K CB -0.209 32.281 32.500 -0.016 0.000 0.729 436 K HN 0.636 nan 8.250 nan 0.000 0.451 437 T N 0.079 114.612 114.554 -0.035 0.000 2.755 437 T HA -0.118 4.232 4.350 -0.000 0.000 0.251 437 T C 1.517 176.200 174.700 -0.029 0.000 1.044 437 T CA 0.983 63.060 62.100 -0.038 0.000 1.154 437 T CB -0.127 68.708 68.868 -0.055 0.000 0.866 437 T HN 0.196 nan 8.240 nan 0.000 0.416 438 Q N 1.002 120.786 119.800 -0.026 0.000 2.404 438 Q HA -0.133 4.206 4.340 -0.000 0.000 0.214 438 Q C 1.627 177.622 176.000 -0.009 0.000 0.992 438 Q CA 1.506 57.301 55.803 -0.014 0.000 0.899 438 Q CB -0.084 28.654 28.738 0.001 0.000 0.921 438 Q HN 0.547 nan 8.270 nan 0.000 0.453 439 E N -1.472 118.722 120.200 -0.010 0.000 2.498 439 E HA 0.009 4.359 4.350 -0.000 0.000 0.203 439 E C 0.946 177.539 176.600 -0.012 0.000 1.013 439 E CA -0.094 56.301 56.400 -0.007 0.000 0.927 439 E CB 0.325 30.023 29.700 -0.003 0.000 1.012 439 E HN 0.406 nan 8.360 nan 0.000 0.482 440 E N 0.221 120.411 120.200 -0.017 0.000 2.112 440 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 440 E C 1.915 178.501 176.600 -0.023 0.000 0.979 440 E CA 0.305 56.693 56.400 -0.020 0.000 0.814 440 E CB 0.213 29.898 29.700 -0.024 0.000 0.762 440 E HN 0.143 nan 8.360 nan 0.000 0.460 441 L N 1.837 123.046 121.223 -0.024 0.000 2.131 441 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 441 L C 2.205 179.063 176.870 -0.021 0.000 1.092 441 L CA 1.649 56.474 54.840 -0.026 0.000 0.759 441 L CB -0.212 41.832 42.059 -0.025 0.000 0.903 441 L HN -0.058 nan 8.230 nan 0.000 0.435 442 K N -0.526 119.865 120.400 -0.015 0.000 1.973 442 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 442 K C 1.971 178.564 176.600 -0.012 0.000 1.047 442 K CA 1.744 58.025 56.287 -0.010 0.000 0.937 442 K CB -0.202 32.295 32.500 -0.005 0.000 0.721 442 K HN 0.360 nan 8.250 nan 0.000 0.440 443 E N 0.651 120.844 120.200 -0.013 0.000 2.130 443 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 443 E C 2.093 178.681 176.600 -0.019 0.000 0.998 443 E CA 1.129 57.522 56.400 -0.013 0.000 0.806 443 E CB -0.108 29.584 29.700 -0.013 0.000 0.738 443 E HN 0.233 nan 8.360 nan 0.000 0.459 444 L N 0.813 122.020 121.223 -0.027 0.000 2.027 444 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 444 L C 2.283 179.126 176.870 -0.045 0.000 1.074 444 L CA 1.160 55.975 54.840 -0.042 0.000 0.745 444 L CB -0.233 41.795 42.059 -0.052 0.000 0.898 444 L HN 0.095 nan 8.230 nan 0.000 0.433 445 L N -0.643 120.559 121.223 -0.035 0.000 2.012 445 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 445 L C 2.309 179.174 176.870 -0.008 0.000 1.073 445 L CA 1.575 56.400 54.840 -0.026 0.000 0.748 445 L CB -1.057 40.993 42.059 -0.016 0.000 0.891 445 L HN 0.359 nan 8.230 nan 0.000 0.431 446 N N 0.281 118.979 118.700 -0.004 0.000 2.137 446 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 446 N C 1.779 177.295 175.510 0.009 0.000 1.017 446 N CA 1.305 54.358 53.050 0.005 0.000 0.859 446 N CB -0.173 38.315 38.487 0.002 0.000 1.002 446 N HN 0.247 nan 8.380 nan 0.000 0.428 447 K N -0.154 120.245 120.400 -0.000 0.000 2.103 447 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 447 K C 1.913 178.525 176.600 0.020 0.000 1.052 447 K CA 0.683 56.973 56.287 0.005 0.000 0.945 447 K CB 0.016 32.509 32.500 -0.011 0.000 0.722 447 K HN 0.176 nan 8.250 nan 0.000 0.443 448 M N -0.081 119.519 119.600 -0.000 0.000 2.077 448 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 448 M C 2.186 178.574 176.300 0.147 0.000 1.070 448 M CA 1.174 56.491 55.300 0.028 0.000 1.125 448 M CB -0.151 32.387 32.600 -0.104 0.000 1.339 448 M HN -0.058 nan 8.290 nan 0.000 0.409 449 V N 1.274 121.242 119.914 0.090 0.000 2.252 449 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 449 V C 1.479 177.614 176.094 0.069 0.000 1.056 449 V CA 2.031 64.381 62.300 0.083 0.000 1.022 449 V CB -0.787 31.065 31.823 0.047 0.000 0.641 449 V HN 0.499 nan 8.190 nan 0.000 0.445 450 N N -0.522 118.210 118.700 0.052 0.000 2.666 450 N HA -0.059 4.681 4.740 -0.000 0.000 0.194 450 N C 0.956 176.496 175.510 0.050 0.000 1.220 450 N CA 0.587 53.661 53.050 0.041 0.000 0.928 450 N CB 0.092 38.596 38.487 0.029 0.000 0.997 450 N HN 0.375 nan 8.380 nan 0.000 0.447 451 L N 0.052 121.326 121.223 0.085 0.000 2.519 451 L HA 0.207 4.547 4.340 -0.000 0.000 0.194 451 L C 1.700 178.597 176.870 0.045 0.000 1.072 451 L CA 0.710 55.609 54.840 0.098 0.000 0.845 451 L CB -0.253 41.922 42.059 0.194 0.000 1.138 451 L HN -0.139 nan 8.230 nan 0.000 0.487 452 K N -0.305 120.123 120.400 0.047 0.000 2.588 452 K HA -0.231 4.089 4.320 -0.000 0.000 0.196 452 K C 1.424 177.999 176.600 -0.042 0.000 1.044 452 K CA 0.929 57.164 56.287 -0.087 0.000 0.934 452 K CB 0.247 32.717 32.500 -0.051 0.000 0.773 452 K HN 0.194 nan 8.250 nan 0.000 0.489 453 E N 0.864 121.064 120.200 -0.001 0.000 2.022 453 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 453 E C 1.491 178.090 176.600 -0.003 0.000 0.973 453 E CA 1.333 57.734 56.400 0.002 0.000 0.816 453 E CB 0.094 29.804 29.700 0.016 0.000 0.781 453 E HN 0.136 nan 8.360 nan 0.000 0.456 454 K N 0.262 120.663 120.400 0.003 0.000 2.057 454 K HA -0.017 4.303 4.320 -0.000 0.000 0.207 454 K C 2.243 178.839 176.600 -0.007 0.000 1.049 454 K CA 1.079 57.368 56.287 0.004 0.000 0.931 454 K CB -0.201 32.304 32.500 0.009 0.000 0.714 454 K HN 0.131 nan 8.250 nan 0.000 0.440 455 I N 1.376 121.928 120.570 -0.031 0.000 2.151 455 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 455 I C 2.570 178.661 176.117 -0.044 0.000 1.080 455 I CA 1.301 62.564 61.300 -0.061 0.000 1.339 455 I CB -0.322 37.597 38.000 -0.135 0.000 1.039 455 I HN 0.234 nan 8.210 nan 0.000 0.409 456 K N 0.841 121.211 120.400 -0.050 0.000 1.987 456 K HA -0.280 4.040 4.320 -0.000 0.000 0.216 456 K C 1.998 178.620 176.600 0.037 0.000 1.051 456 K CA 2.014 58.286 56.287 -0.026 0.000 0.942 456 K CB -0.347 32.137 32.500 -0.026 0.000 0.722 456 K HN 0.345 nan 8.250 nan 0.000 0.444 457 E N 0.602 120.819 120.200 0.029 0.000 2.358 457 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 457 E C 1.989 178.621 176.600 0.053 0.000 1.010 457 E CA 0.144 56.568 56.400 0.041 0.000 0.856 457 E CB 0.161 29.877 29.700 0.026 0.000 0.795 457 E HN 0.260 nan 8.360 nan 0.000 0.504 458 L N 0.309 121.563 121.223 0.053 0.000 2.127 458 L HA -0.116 4.224 4.340 -0.000 0.000 0.203 458 L C 2.404 179.331 176.870 0.095 0.000 1.080 458 L CA 1.415 56.288 54.840 0.055 0.000 0.768 458 L CB -0.584 41.490 42.059 0.025 0.000 0.924 458 L HN 0.289 nan 8.230 nan 0.000 0.444 459 H N -0.012 119.055 119.070 -0.005 0.000 2.319 459 H HA -0.283 4.273 4.556 -0.000 0.000 0.297 459 H C 2.205 177.586 175.328 0.088 0.000 1.097 459 H CA 2.417 58.474 56.048 0.015 0.000 1.285 459 H CB 0.062 29.808 29.762 -0.027 0.000 1.368 459 H HN 0.221 nan 8.280 nan 0.000 0.495 460 Q N 0.699 120.577 119.800 0.130 0.000 1.978 460 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 460 Q C 2.398 178.411 176.000 0.021 0.000 1.013 460 Q CA 2.590 58.428 55.803 0.058 0.000 0.869 460 Q CB -0.525 28.251 28.738 0.063 0.000 0.953 460 Q HN 0.732 nan 8.270 nan 0.000 0.415 461 Q N -1.645 118.180 119.800 0.042 0.000 2.135 461 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 461 Q C 1.965 177.987 176.000 0.036 0.000 0.981 461 Q CA 1.688 57.511 55.803 0.033 0.000 0.856 461 Q CB -0.386 28.377 28.738 0.042 0.000 0.902 461 Q HN 0.588 nan 8.270 nan 0.000 0.425 462 Y N 1.402 121.650 120.300 -0.086 0.000 2.163 462 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 462 Y C 2.195 178.017 175.900 -0.131 0.000 1.136 462 Y CA 1.592 59.633 58.100 -0.098 0.000 1.147 462 Y CB 0.018 38.419 38.460 -0.098 0.000 0.987 462 Y HN -0.160 nan 8.280 nan 0.000 0.509 463 K N 0.944 121.336 120.400 -0.013 0.000 2.009 463 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 463 K C 2.048 178.558 176.600 -0.151 0.000 1.049 463 K CA 2.225 58.439 56.287 -0.122 0.000 0.929 463 K CB -0.431 31.987 32.500 -0.136 0.000 0.714 463 K HN 0.515 nan 8.250 nan 0.000 0.440 464 E N -1.064 119.080 120.200 -0.093 0.000 2.171 464 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 464 E C 1.383 177.923 176.600 -0.101 0.000 0.997 464 E CA 1.217 57.572 56.400 -0.074 0.000 0.810 464 E CB -0.096 29.581 29.700 -0.039 0.000 0.738 464 E HN 0.421 nan 8.360 nan 0.000 0.467 465 A N -0.264 122.469 122.820 -0.144 0.000 2.308 465 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 465 A C 1.888 179.337 177.584 -0.226 0.000 1.216 465 A CA 0.108 52.057 52.037 -0.146 0.000 0.864 465 A CB 0.407 19.338 19.000 -0.115 0.000 0.902 465 A HN 0.017 nan 8.150 nan 0.000 0.499 466 S N -0.255 115.248 115.700 -0.328 0.000 2.548 466 S HA 0.017 4.487 4.470 -0.000 0.000 0.215 466 S C 1.544 176.032 174.600 -0.186 0.000 0.976 466 S CA 0.215 58.215 58.200 -0.335 0.000 0.908 466 S CB -0.065 62.811 63.200 -0.540 0.000 0.781 466 S HN 0.569 nan 8.310 nan 0.000 0.519 467 E N 1.157 121.273 120.200 -0.140 0.000 2.072 467 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 467 E C 0.703 177.261 176.600 -0.071 0.000 0.982 467 E CA 0.434 56.782 56.400 -0.085 0.000 0.803 467 E CB -0.734 28.929 29.700 -0.062 0.000 0.755 467 E HN 0.227 nan 8.360 nan 0.000 0.453 468 V N 4.340 124.211 119.914 -0.072 0.000 2.536 468 V HA -0.124 3.996 4.120 -0.000 0.000 0.287 468 V C 0.867 176.927 176.094 -0.056 0.000 0.979 468 V CA 0.647 62.914 62.300 -0.054 0.000 1.161 468 V CB -0.562 31.231 31.823 -0.050 0.000 0.915 468 V HN 0.043 nan 8.190 nan 0.000 0.467 469 K N 6.196 126.571 120.400 -0.042 0.000 2.237 469 K HA 0.376 4.696 4.320 -0.000 0.000 0.270 469 K C -2.152 174.429 176.600 -0.032 0.000 1.015 469 K CA -1.528 54.736 56.287 -0.038 0.000 0.949 469 K CB 0.865 33.347 32.500 -0.029 0.000 0.976 469 K HN 0.362 nan 8.250 nan 0.000 0.472 470 P HA 0.186 nan 4.420 nan 0.000 0.272 470 P C -2.324 174.965 177.300 -0.018 0.000 1.240 470 P CA -0.962 62.124 63.100 -0.023 0.000 0.791 470 P CB -0.382 31.304 31.700 -0.024 0.000 0.978 471 P HA 0.360 nan 4.420 nan 0.000 0.281 471 P C -0.747 176.546 177.300 -0.012 0.000 1.249 471 P CA -0.449 62.644 63.100 -0.012 0.000 0.810 471 P CB 0.926 32.621 31.700 -0.009 0.000 1.008 472 R N 0.211 120.705 120.500 -0.010 0.000 2.854 472 R HA 0.545 4.884 4.340 -0.000 0.000 0.271 472 R C -0.597 175.703 176.300 0.001 0.000 0.994 472 R CA -0.895 55.201 56.100 -0.007 0.000 0.945 472 R CB 0.832 31.126 30.300 -0.011 0.000 1.194 472 R HN 0.416 nan 8.270 nan 0.000 0.476 473 D N 0.578 120.981 120.400 0.004 0.000 2.398 473 D HA -0.016 4.624 4.640 -0.000 0.000 0.247 473 D C 0.885 177.196 176.300 0.019 0.000 1.227 473 D CA -0.654 53.350 54.000 0.007 0.000 0.980 473 D CB 0.682 41.484 40.800 0.003 0.000 1.106 473 D HN 0.446 nan 8.370 nan 0.000 0.493 474 I N 0.034 120.616 120.570 0.020 0.000 2.353 474 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 474 I C 2.342 178.502 176.117 0.072 0.000 1.119 474 I CA 1.911 63.235 61.300 0.040 0.000 1.417 474 I CB -0.823 37.192 38.000 0.025 0.000 1.078 474 I HN 0.738 nan 8.210 nan 0.000 0.421 475 T N -1.373 113.205 114.554 0.039 0.000 2.788 475 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 475 T C 1.956 176.744 174.700 0.145 0.000 1.044 475 T CA 1.113 63.248 62.100 0.058 0.000 1.139 475 T CB -0.851 68.015 68.868 -0.004 0.000 0.867 475 T HN 0.268 nan 8.240 nan 0.000 0.454 476 A N 1.063 123.932 122.820 0.082 0.000 2.066 476 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 476 A C 2.236 179.853 177.584 0.056 0.000 1.157 476 A CA 1.616 53.690 52.037 0.062 0.000 0.670 476 A CB -0.624 18.390 19.000 0.023 0.000 0.804 476 A HN 0.587 nan 8.150 nan 0.000 0.453 477 E N -0.438 119.806 120.200 0.072 0.000 2.033 477 E HA -0.113 4.237 4.350 -0.000 0.000 0.189 477 E C 1.622 178.272 176.600 0.083 0.000 0.979 477 E CA 1.287 57.718 56.400 0.052 0.000 0.802 477 E CB -0.545 29.184 29.700 0.049 0.000 0.763 477 E HN 0.516 nan 8.360 nan 0.000 0.449 478 F N 0.706 120.653 119.950 -0.005 0.000 2.087 478 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 478 F C 1.972 177.782 175.800 0.016 0.000 1.100 478 F CA 1.748 59.753 58.000 0.008 0.000 1.226 478 F CB -0.510 38.495 39.000 0.008 0.000 0.983 478 F HN 0.178 nan 8.300 nan 0.000 0.479 479 L N -0.031 121.276 121.223 0.140 0.000 1.990 479 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 479 L C 2.386 179.185 176.870 -0.119 0.000 1.072 479 L CA 1.975 56.816 54.840 0.001 0.000 0.755 479 L CB -0.726 41.389 42.059 0.095 0.000 0.889 479 L HN 0.133 nan 8.230 nan 0.000 0.432 480 V N -0.363 119.499 119.914 -0.087 0.000 2.231 480 V HA -0.372 3.748 4.120 -0.000 0.000 0.248 480 V C 2.608 178.686 176.094 -0.027 0.000 1.054 480 V CA 2.112 64.349 62.300 -0.105 0.000 1.015 480 V CB -0.754 30.978 31.823 -0.153 0.000 0.638 480 V HN 0.433 nan 8.190 nan 0.000 0.444 481 K N 0.097 120.445 120.400 -0.087 0.000 2.044 481 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 481 K C 2.484 179.004 176.600 -0.133 0.000 1.049 481 K CA 1.895 58.133 56.287 -0.082 0.000 0.927 481 K CB -0.624 31.814 32.500 -0.103 0.000 0.713 481 K HN 0.543 nan 8.250 nan 0.000 0.443 482 S N 1.442 116.894 115.700 -0.415 0.000 2.462 482 S HA -0.190 4.280 4.470 -0.000 0.000 0.219 482 S C 1.815 176.335 174.600 -0.133 0.000 1.048 482 S CA 1.616 59.543 58.200 -0.454 0.000 1.119 482 S CB -0.143 62.551 63.200 -0.843 0.000 1.100 482 S HN 0.134 nan 8.310 nan 0.000 0.411 483 K N 0.970 121.335 120.400 -0.059 0.000 2.207 483 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 483 K C 2.088 178.742 176.600 0.089 0.000 1.046 483 K CA 1.853 58.170 56.287 0.051 0.000 0.929 483 K CB -1.363 31.212 32.500 0.126 0.000 0.720 483 K HN 0.750 nan 8.250 nan 0.000 0.463 484 H N 1.109 120.227 119.070 0.079 0.000 2.293 484 H HA -0.093 4.462 4.556 -0.000 0.000 0.300 484 H C 2.318 177.610 175.328 -0.060 0.000 1.082 484 H CA 1.819 57.867 56.048 -0.000 0.000 1.308 484 H CB 0.150 29.965 29.762 0.088 0.000 1.375 484 H HN 0.156 nan 8.280 nan 0.000 0.495 485 R N 0.574 121.072 120.500 -0.004 0.000 2.113 485 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 485 R C 1.683 177.920 176.300 -0.105 0.000 1.129 485 R CA 2.240 58.303 56.100 -0.061 0.000 0.915 485 R CB -0.569 29.724 30.300 -0.013 0.000 0.837 485 R HN 0.325 nan 8.270 nan 0.000 0.430 486 D N 0.604 120.964 120.400 -0.066 0.000 2.315 486 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 486 D C 1.726 177.979 176.300 -0.078 0.000 1.010 486 D CA 1.347 55.316 54.000 -0.053 0.000 0.911 486 D CB -0.167 40.615 40.800 -0.030 0.000 0.897 486 D HN 0.288 nan 8.370 nan 0.000 0.455 487 L N -0.063 121.077 121.223 -0.138 0.000 2.130 487 L HA -0.054 4.286 4.340 -0.000 0.000 0.200 487 L C 2.402 179.156 176.870 -0.194 0.000 1.075 487 L CA 1.400 56.139 54.840 -0.169 0.000 0.768 487 L CB -0.552 41.370 42.059 -0.228 0.000 0.933 487 L HN 0.089 nan 8.230 nan 0.000 0.451 488 T N -2.171 112.215 114.554 -0.279 0.000 2.833 488 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 488 T C 1.832 176.465 174.700 -0.113 0.000 1.054 488 T CA 0.940 62.915 62.100 -0.210 0.000 1.135 488 T CB -0.764 67.960 68.868 -0.240 0.000 0.869 488 T HN 0.366 nan 8.240 nan 0.000 0.466 489 A N 2.330 125.092 122.820 -0.096 0.000 1.851 489 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 489 A C 2.440 180.005 177.584 -0.032 0.000 1.195 489 A CA 1.517 53.525 52.037 -0.049 0.000 0.622 489 A CB -1.080 17.898 19.000 -0.037 0.000 0.831 489 A HN 0.517 nan 8.150 nan 0.000 0.444 490 L N -0.766 120.434 121.223 -0.037 0.000 2.349 490 L HA -0.223 4.117 4.340 -0.000 0.000 0.220 490 L C 2.342 179.213 176.870 0.000 0.000 1.130 490 L CA 0.902 55.734 54.840 -0.014 0.000 0.791 490 L CB -0.705 41.340 42.059 -0.024 0.000 0.918 490 L HN 0.561 nan 8.230 nan 0.000 0.444 491 C N -1.087 118.195 119.300 -0.030 0.000 2.527 491 C HA -0.053 4.407 4.460 -0.000 0.000 0.280 491 C C 2.775 177.785 174.990 0.033 0.000 1.353 491 C CA -0.086 58.923 59.018 -0.015 0.000 1.749 491 C CB -0.063 27.633 27.740 -0.073 0.000 2.088 491 C HN 0.426 nan 8.230 nan 0.000 0.508 492 K N 1.364 121.769 120.400 0.007 0.000 1.987 492 K HA -0.220 4.100 4.320 -0.000 0.000 0.216 492 K C 1.944 178.565 176.600 0.035 0.000 1.051 492 K CA 1.705 58.001 56.287 0.015 0.000 0.942 492 K CB -0.307 32.192 32.500 -0.001 0.000 0.722 492 K HN 0.490 nan 8.250 nan 0.000 0.444 493 E N -0.554 119.667 120.200 0.035 0.000 2.082 493 E HA -0.290 4.060 4.350 -0.000 0.000 0.215 493 E C 1.937 178.577 176.600 0.066 0.000 1.048 493 E CA 2.210 58.634 56.400 0.041 0.000 0.869 493 E CB -0.358 29.369 29.700 0.044 0.000 0.773 493 E HN 0.449 nan 8.360 nan 0.000 0.466 494 Y N 1.147 121.430 120.300 -0.028 0.000 2.421 494 Y HA -0.177 4.373 4.550 -0.000 0.000 0.292 494 Y C 1.677 177.560 175.900 -0.027 0.000 1.136 494 Y CA 1.219 59.303 58.100 -0.028 0.000 1.255 494 Y CB 0.215 38.656 38.460 -0.032 0.000 0.991 494 Y HN 0.036 nan 8.280 nan 0.000 0.552 495 D N 0.269 120.760 120.400 0.152 0.000 2.120 495 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 495 D C 1.688 177.974 176.300 -0.022 0.000 0.972 495 D CA 1.349 55.393 54.000 0.074 0.000 0.837 495 D CB -0.204 40.641 40.800 0.075 0.000 0.989 495 D HN 0.529 nan 8.370 nan 0.000 0.469 496 E N 0.008 120.196 120.200 -0.020 0.000 2.331 496 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 496 E C 1.592 178.147 176.600 -0.076 0.000 1.008 496 E CA 0.342 56.719 56.400 -0.039 0.000 0.843 496 E CB 0.153 29.839 29.700 -0.024 0.000 0.761 496 E HN 0.162 nan 8.360 nan 0.000 0.507 497 L N -0.010 121.134 121.223 -0.133 0.000 2.168 497 L HA 0.056 4.396 4.340 -0.000 0.000 0.203 497 L C 2.283 179.018 176.870 -0.225 0.000 1.078 497 L CA 1.247 55.971 54.840 -0.192 0.000 0.780 497 L CB -0.672 41.229 42.059 -0.263 0.000 0.939 497 L HN 0.006 nan 8.230 nan 0.000 0.451 498 A N -0.508 122.139 122.820 -0.289 0.000 1.978 498 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 498 A C 2.124 179.644 177.584 -0.107 0.000 1.170 498 A CA 1.785 53.701 52.037 -0.202 0.000 0.636 498 A CB -0.494 18.416 19.000 -0.150 0.000 0.810 498 A HN 0.435 nan 8.150 nan 0.000 0.448 499 E N -0.136 120.013 120.200 -0.086 0.000 1.995 499 E HA -0.183 4.167 4.350 -0.000 0.000 0.207 499 E C 1.930 178.494 176.600 -0.060 0.000 1.016 499 E CA 2.416 58.782 56.400 -0.057 0.000 0.865 499 E CB -1.061 28.611 29.700 -0.046 0.000 0.797 499 E HN 0.399 nan 8.360 nan 0.000 0.491 500 T N 0.608 115.124 114.554 -0.063 0.000 2.616 500 T HA -0.383 3.967 4.350 -0.000 0.000 0.261 500 T C 1.768 176.430 174.700 -0.063 0.000 1.105 500 T CA 2.304 64.368 62.100 -0.060 0.000 1.159 500 T CB -0.638 68.190 68.868 -0.065 0.000 0.856 500 T HN 0.417 nan 8.240 nan 0.000 0.449 501 Q N 0.119 119.870 119.800 -0.082 0.000 2.062 501 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 501 Q C 2.567 178.535 176.000 -0.055 0.000 0.996 501 Q CA 2.102 57.861 55.803 -0.074 0.000 0.859 501 Q CB -0.765 27.916 28.738 -0.095 0.000 0.920 501 Q HN 0.628 nan 8.270 nan 0.000 0.415 502 G N 0.601 109.371 108.800 -0.051 0.000 2.442 502 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 502 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 502 G C 1.303 176.183 174.900 -0.034 0.000 1.141 502 G CA 0.951 46.028 45.100 -0.038 0.000 0.763 502 G HN 0.340 nan 8.290 nan 0.000 0.554 503 K N -0.069 120.309 120.400 -0.036 0.000 2.020 503 K HA -0.015 4.305 4.320 -0.000 0.000 0.212 503 K C 2.480 179.059 176.600 -0.035 0.000 1.050 503 K CA 1.107 57.374 56.287 -0.033 0.000 0.929 503 K CB -0.376 32.104 32.500 -0.033 0.000 0.714 503 K HN 0.262 nan 8.250 nan 0.000 0.443 504 L N 1.014 122.214 121.223 -0.038 0.000 2.046 504 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 504 L C 2.256 179.103 176.870 -0.037 0.000 1.077 504 L CA 1.350 56.167 54.840 -0.038 0.000 0.747 504 L CB -0.597 41.438 42.059 -0.039 0.000 0.896 504 L HN 0.297 nan 8.230 nan 0.000 0.432 505 E N 0.089 120.268 120.200 -0.035 0.000 2.267 505 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 505 E C 1.958 178.540 176.600 -0.031 0.000 0.998 505 E CA 1.479 57.860 56.400 -0.031 0.000 0.830 505 E CB 0.115 29.798 29.700 -0.028 0.000 0.751 505 E HN 0.662 nan 8.360 nan 0.000 0.491 506 E N 0.776 120.957 120.200 -0.031 0.000 2.099 506 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 506 E C 1.488 178.066 176.600 -0.037 0.000 0.962 506 E CA 0.162 56.543 56.400 -0.031 0.000 0.826 506 E CB -0.346 29.338 29.700 -0.027 0.000 0.788 506 E HN -0.105 nan 8.360 nan 0.000 0.461 507 K N 0.847 121.224 120.400 -0.038 0.000 2.985 507 K HA -0.035 4.285 4.320 -0.000 0.000 0.245 507 K C 0.863 177.428 176.600 -0.058 0.000 0.838 507 K CA 0.198 56.458 56.287 -0.045 0.000 1.027 507 K CB -0.117 32.357 32.500 -0.043 0.000 0.890 507 K HN 0.321 nan 8.250 nan 0.000 0.455 508 L N -1.699 119.489 121.223 -0.058 0.000 3.195 508 L HA 0.007 4.347 4.340 -0.000 0.000 0.290 508 L C 1.510 178.339 176.870 -0.069 0.000 1.092 508 L CA -0.004 54.794 54.840 -0.070 0.000 1.094 508 L CB 0.295 42.322 42.059 -0.054 0.000 1.743 508 L HN 0.084 nan 8.230 nan 0.000 0.579 509 Q N 0.138 119.908 119.800 -0.050 0.000 2.212 509 Q HA -0.166 4.174 4.340 -0.000 0.000 0.199 509 Q C 1.568 177.540 176.000 -0.047 0.000 0.950 509 Q CA 1.116 56.892 55.803 -0.044 0.000 0.863 509 Q CB 0.265 28.985 28.738 -0.031 0.000 0.944 509 Q HN 0.233 nan 8.270 nan 0.000 0.465 510 E N 1.223 121.396 120.200 -0.045 0.000 2.068 510 E HA -0.228 4.121 4.350 -0.000 0.000 0.207 510 E C 1.531 178.104 176.600 -0.046 0.000 1.032 510 E CA 1.617 57.992 56.400 -0.041 0.000 0.839 510 E CB -0.312 29.364 29.700 -0.041 0.000 0.758 510 E HN 0.311 nan 8.360 nan 0.000 0.457 511 L N -0.270 120.909 121.223 -0.073 0.000 2.217 511 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 511 L C 2.441 179.263 176.870 -0.080 0.000 1.107 511 L CA 1.271 56.058 54.840 -0.088 0.000 0.783 511 L CB -0.425 41.501 42.059 -0.222 0.000 0.919 511 L HN 0.240 nan 8.230 nan 0.000 0.442 512 E N 0.254 120.383 120.200 -0.118 0.000 2.358 512 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 512 E C 2.093 178.647 176.600 -0.075 0.000 1.010 512 E CA 0.728 57.051 56.400 -0.128 0.000 0.856 512 E CB 0.218 29.859 29.700 -0.098 0.000 0.795 512 E HN 0.409 nan 8.360 nan 0.000 0.504 513 A N 1.328 124.116 122.820 -0.053 0.000 1.935 513 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 513 A C 0.869 178.422 177.584 -0.051 0.000 1.178 513 A CA 0.647 52.658 52.037 -0.042 0.000 0.640 513 A CB -0.041 18.939 19.000 -0.033 0.000 0.825 513 A HN 0.323 nan 8.150 nan 0.000 0.447 514 N N 1.122 119.789 118.700 -0.055 0.000 3.112 514 N HA 0.240 4.980 4.740 -0.000 0.000 0.270 514 N C -3.215 172.164 175.510 -0.218 0.000 1.385 514 N CA -1.267 51.729 53.050 -0.090 0.000 0.986 514 N CB 0.501 38.951 38.487 -0.061 0.000 1.261 514 N HN 0.172 nan 8.380 nan 0.000 0.495 515 P HA 0.224 nan 4.420 nan 0.000 0.271 515 P C -2.099 174.992 177.300 -0.349 0.000 1.216 515 P CA -0.605 62.189 63.100 -0.509 0.000 0.776 515 P CB 0.396 31.970 31.700 -0.210 0.000 0.881 516 P HA 0.057 nan 4.420 nan 0.000 0.275 516 P C -0.155 177.098 177.300 -0.079 0.000 1.270 516 P CA -0.197 62.798 63.100 -0.175 0.000 0.791 516 P CB 0.200 31.812 31.700 -0.147 0.000 1.089 517 S N 0.512 116.196 115.700 -0.027 0.000 2.558 517 S HA -0.068 4.402 4.470 -0.000 0.000 0.293 517 S C 1.230 175.846 174.600 0.027 0.000 1.292 517 S CA -0.030 58.173 58.200 0.004 0.000 1.063 517 S CB -0.069 63.145 63.200 0.024 0.000 0.831 517 S HN 0.532 nan 8.310 nan 0.000 0.499 518 D N 1.277 121.696 120.400 0.031 0.000 2.117 518 D HA -0.097 4.543 4.640 -0.000 0.000 0.197 518 D C 0.605 176.936 176.300 0.051 0.000 0.987 518 D CA 1.086 55.114 54.000 0.047 0.000 0.829 518 D CB 0.094 40.917 40.800 0.038 0.000 0.961 518 D HN 0.431 nan 8.370 nan 0.000 0.460 519 V N -2.076 117.866 119.914 0.047 0.000 2.876 519 V HA 0.298 4.418 4.120 -0.000 0.000 0.312 519 V C 0.693 176.842 176.094 0.091 0.000 1.085 519 V CA -1.069 61.271 62.300 0.067 0.000 0.945 519 V CB 1.317 33.163 31.823 0.039 0.000 1.017 519 V HN 0.005 nan 8.190 nan 0.000 0.428 520 Y N 3.678 124.002 120.300 0.039 0.000 2.109 520 Y HA 0.300 4.850 4.550 -0.000 0.000 0.285 520 Y C 0.528 176.449 175.900 0.035 0.000 1.131 520 Y CA 1.500 59.627 58.100 0.046 0.000 1.121 520 Y CB 0.229 38.723 38.460 0.056 0.000 0.987 520 Y HN 0.535 nan 8.280 nan 0.000 0.495 521 L N 0.460 121.658 121.223 -0.042 0.000 2.431 521 L HA 0.299 4.639 4.340 -0.000 0.000 0.266 521 L C 0.015 176.882 176.870 -0.005 0.000 0.978 521 L CA -0.890 53.884 54.840 -0.110 0.000 0.822 521 L CB 1.965 43.989 42.059 -0.057 0.000 1.310 521 L HN 0.133 nan 8.230 nan 0.000 0.409 522 S N 0.822 116.504 115.700 -0.030 0.000 2.617 522 S HA 0.124 4.594 4.470 -0.000 0.000 0.255 522 S C 1.048 175.655 174.600 0.011 0.000 1.318 522 S CA -0.047 58.150 58.200 -0.006 0.000 0.978 522 S CB 1.357 64.544 63.200 -0.021 0.000 0.961 522 S HN 0.585 nan 8.310 nan 0.000 0.582 523 S N -0.296 115.413 115.700 0.014 0.000 2.428 523 S HA 0.068 4.538 4.470 -0.000 0.000 0.230 523 S C 1.959 176.568 174.600 0.015 0.000 1.014 523 S CA 0.562 58.776 58.200 0.022 0.000 0.957 523 S CB -0.418 62.795 63.200 0.021 0.000 0.784 523 S HN 0.702 nan 8.310 nan 0.000 0.499 524 R N 0.674 121.174 120.500 -0.000 0.000 2.127 524 R HA 0.005 4.345 4.340 -0.000 0.000 0.217 524 R C 1.497 177.789 176.300 -0.014 0.000 1.074 524 R CA 1.070 57.164 56.100 -0.010 0.000 0.991 524 R CB -0.002 30.284 30.300 -0.024 0.000 0.895 524 R HN 0.257 nan 8.270 nan 0.000 0.450 525 D N 0.267 120.655 120.400 -0.020 0.000 2.081 525 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 525 D C 1.777 178.075 176.300 -0.003 0.000 0.986 525 D CA 1.311 55.292 54.000 -0.032 0.000 0.837 525 D CB -0.310 40.453 40.800 -0.061 0.000 0.985 525 D HN 0.039 nan 8.370 nan 0.000 0.448 526 R N 1.177 121.691 120.500 0.024 0.000 2.211 526 R HA -0.145 4.195 4.340 -0.000 0.000 0.240 526 R C 1.947 178.298 176.300 0.085 0.000 1.144 526 R CA 1.377 57.521 56.100 0.072 0.000 0.992 526 R CB -0.328 30.032 30.300 0.101 0.000 0.869 526 R HN 0.268 nan 8.270 nan 0.000 0.462 527 Q N -0.418 119.419 119.800 0.061 0.000 2.123 527 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 527 Q C 2.028 178.079 176.000 0.086 0.000 0.966 527 Q CA 1.639 57.485 55.803 0.071 0.000 0.845 527 Q CB 0.005 28.770 28.738 0.044 0.000 0.907 527 Q HN 0.437 nan 8.270 nan 0.000 0.439 528 I N 0.139 120.743 120.570 0.057 0.000 2.333 528 I HA -0.238 3.932 4.170 -0.000 0.000 0.246 528 I C 2.134 178.340 176.117 0.149 0.000 1.106 528 I CA 0.331 61.679 61.300 0.080 0.000 1.411 528 I CB -0.106 37.901 38.000 0.010 0.000 1.082 528 I HN 0.205 nan 8.210 nan 0.000 0.420 529 L N 0.965 122.207 121.223 0.032 0.000 2.137 529 L HA -0.310 4.030 4.340 -0.000 0.000 0.213 529 L C 1.813 178.570 176.870 -0.189 0.000 1.085 529 L CA 2.018 56.778 54.840 -0.133 0.000 0.760 529 L CB -0.766 41.224 42.059 -0.115 0.000 0.893 529 L HN 0.219 nan 8.230 nan 0.000 0.434 530 D N -1.763 118.681 120.400 0.074 0.000 2.144 530 D HA -0.240 4.400 4.640 -0.000 0.000 0.200 530 D C 1.758 178.161 176.300 0.172 0.000 0.978 530 D CA 1.237 55.352 54.000 0.191 0.000 0.833 530 D CB -0.345 40.576 40.800 0.202 0.000 0.961 530 D HN 0.623 nan 8.370 nan 0.000 0.470 531 W N 0.994 122.291 121.300 -0.004 0.000 2.374 531 W HA -0.153 4.507 4.660 -0.000 0.000 0.288 531 W C 2.137 178.581 176.519 -0.125 0.000 1.218 531 W CA 1.220 58.572 57.345 0.011 0.000 1.245 531 W CB -0.102 29.353 29.460 -0.008 0.000 1.126 531 W HN 0.115 nan 8.180 nan 0.000 0.545 532 H N -1.164 117.918 119.070 0.021 0.000 2.462 532 H HA -0.082 4.474 4.556 -0.000 0.000 0.292 532 H C 1.706 176.618 175.328 -0.694 0.000 1.049 532 H CA 1.468 57.206 56.048 -0.518 0.000 1.334 532 H CB -0.356 28.774 29.762 -1.053 0.000 1.404 532 H HN 0.182 nan 8.280 nan 0.000 0.544 533 F N 0.708 120.521 119.950 -0.229 0.000 2.293 533 F HA 0.060 4.587 4.527 -0.000 0.000 0.297 533 F C 2.651 178.304 175.800 -0.245 0.000 1.089 533 F CA 0.565 58.461 58.000 -0.173 0.000 1.377 533 F CB -0.649 38.305 39.000 -0.076 0.000 1.051 533 F HN 0.071 nan 8.300 nan 0.000 0.511 534 A N -0.119 122.597 122.820 -0.174 0.000 1.930 534 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 534 A C 2.182 179.372 177.584 -0.657 0.000 1.175 534 A CA 1.695 53.400 52.037 -0.553 0.000 0.627 534 A CB -1.098 17.394 19.000 -0.845 0.000 0.815 534 A HN 0.440 nan 8.150 nan 0.000 0.443 535 N N -0.662 117.778 118.700 -0.434 0.000 2.094 535 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 535 N C 1.700 177.305 175.510 0.159 0.000 1.023 535 N CA 1.524 54.540 53.050 -0.056 0.000 0.857 535 N CB -0.155 38.199 38.487 -0.221 0.000 1.013 535 N HN 0.352 nan 8.380 nan 0.000 0.426 536 L N 2.102 123.379 121.223 0.090 0.000 2.083 536 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 536 L C 2.116 178.997 176.870 0.019 0.000 1.083 536 L CA 1.526 56.447 54.840 0.135 0.000 0.752 536 L CB -0.407 41.763 42.059 0.186 0.000 0.899 536 L HN 0.159 nan 8.230 nan 0.000 0.433 537 E N -1.051 119.108 120.200 -0.069 0.000 2.160 537 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 537 E C 2.083 178.638 176.600 -0.075 0.000 0.991 537 E CA 1.633 57.949 56.400 -0.140 0.000 0.810 537 E CB -0.435 29.134 29.700 -0.219 0.000 0.742 537 E HN 0.568 nan 8.360 nan 0.000 0.466 538 F N 1.908 121.761 119.950 -0.163 0.000 2.074 538 F HA -0.008 4.519 4.527 -0.000 0.000 0.293 538 F C 2.427 178.297 175.800 0.117 0.000 1.116 538 F CA 1.355 59.342 58.000 -0.021 0.000 1.212 538 F CB -0.753 38.309 39.000 0.104 0.000 0.998 538 F HN -0.055 nan 8.300 nan 0.000 0.471 539 A N 0.945 123.549 122.820 -0.360 0.000 1.954 539 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 539 A C 1.927 179.479 177.584 -0.054 0.000 1.199 539 A CA 2.391 54.231 52.037 -0.328 0.000 0.657 539 A CB -1.214 17.801 19.000 0.026 0.000 0.823 539 A HN 0.718 nan 8.150 nan 0.000 0.463 540 N N -1.173 117.524 118.700 -0.005 0.000 2.236 540 N HA 0.303 5.042 4.740 -0.000 0.000 0.196 540 N C 0.523 175.959 175.510 -0.123 0.000 1.114 540 N CA 0.720 53.800 53.050 0.050 0.000 0.859 540 N CB 0.308 38.818 38.487 0.037 0.000 0.982 540 N HN 0.693 nan 8.380 nan 0.000 0.493 541 A N 1.065 123.748 122.820 -0.228 0.000 2.667 541 A HA -0.163 4.157 4.320 -0.000 0.000 0.298 541 A C 0.214 177.572 177.584 -0.377 0.000 1.483 541 A CA 1.441 53.234 52.037 -0.406 0.000 0.738 541 A CB -1.982 16.426 19.000 -0.987 0.000 1.067 541 A HN 0.328 nan 8.150 nan 0.000 0.451 542 T N -1.418 112.928 114.554 -0.347 0.000 3.033 542 T HA 0.495 4.844 4.350 -0.000 0.000 0.362 542 T C -3.368 171.123 174.700 -0.348 0.000 1.723 542 T CA -0.411 61.430 62.100 -0.432 0.000 1.110 542 T CB 1.230 69.549 68.868 -0.915 0.000 1.515 542 T HN 0.048 nan 8.240 nan 0.000 0.484 543 P HA 0.204 nan 4.420 nan 0.000 0.262 543 P C 1.063 178.205 177.300 -0.263 0.000 1.199 543 P CA 0.095 63.056 63.100 -0.232 0.000 0.763 543 P CB 0.178 31.774 31.700 -0.172 0.000 0.790 544 L N 2.335 123.400 121.223 -0.263 0.000 2.549 544 L HA -0.148 4.192 4.340 -0.000 0.000 0.230 544 L C 1.929 178.659 176.870 -0.234 0.000 1.162 544 L CA 1.301 55.967 54.840 -0.290 0.000 0.834 544 L CB -1.018 40.837 42.059 -0.340 0.000 0.947 544 L HN 0.392 nan 8.230 nan 0.000 0.452 545 S N -1.565 114.021 115.700 -0.190 0.000 2.561 545 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 545 S C 1.795 176.338 174.600 -0.096 0.000 0.977 545 S CA 0.845 58.965 58.200 -0.133 0.000 0.926 545 S CB -0.405 62.730 63.200 -0.109 0.000 0.769 545 S HN 0.597 nan 8.310 nan 0.000 0.533 546 T N -0.571 113.911 114.554 -0.120 0.000 3.018 546 T HA 0.375 4.725 4.350 -0.000 0.000 0.246 546 T C 0.556 175.274 174.700 0.031 0.000 1.026 546 T CA -0.440 61.634 62.100 -0.042 0.000 1.081 546 T CB -0.682 68.146 68.868 -0.066 0.000 0.970 546 T HN 0.301 nan 8.240 nan 0.000 0.475 547 L N 3.381 124.553 121.223 -0.085 0.000 2.540 547 L HA 0.215 4.555 4.340 -0.000 0.000 0.276 547 L C 0.879 177.826 176.870 0.127 0.000 1.212 547 L CA -0.389 54.486 54.840 0.057 0.000 0.893 547 L CB 0.378 42.406 42.059 -0.051 0.000 1.138 547 L HN 0.250 nan 8.230 nan 0.000 0.491 548 S N 2.826 118.674 115.700 0.246 0.000 2.525 548 S HA 0.013 4.483 4.470 -0.000 0.000 0.285 548 S C 0.953 175.711 174.600 0.263 0.000 1.283 548 S CA -0.722 57.613 58.200 0.226 0.000 1.072 548 S CB 0.480 63.854 63.200 0.290 0.000 0.867 548 S HN 0.536 nan 8.310 nan 0.000 0.492 549 L N 6.129 127.441 121.223 0.148 0.000 1.989 549 L HA -0.014 4.325 4.340 -0.000 0.000 0.211 549 L C 2.372 179.356 176.870 0.190 0.000 1.071 549 L CA 2.008 56.952 54.840 0.173 0.000 0.749 549 L CB -0.785 41.298 42.059 0.040 0.000 0.890 549 L HN 0.827 nan 8.230 nan 0.000 0.431 550 K N -1.775 118.630 120.400 0.009 0.000 2.147 550 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 550 K C 1.482 177.851 176.600 -0.384 0.000 1.049 550 K CA 1.629 57.765 56.287 -0.252 0.000 0.936 550 K CB -0.065 32.193 32.500 -0.403 0.000 0.722 550 K HN 0.623 nan 8.250 nan 0.000 0.446 551 H N -1.855 117.304 119.070 0.148 0.000 3.241 551 H HA -0.020 4.536 4.556 -0.000 0.000 0.260 551 H C 1.476 176.850 175.328 0.078 0.000 1.084 551 H CA 0.169 56.276 56.048 0.098 0.000 1.203 551 H CB -0.065 29.767 29.762 0.117 0.000 1.524 551 H HN 0.410 nan 8.280 nan 0.000 0.521 552 W N 3.377 124.779 121.300 0.171 0.000 2.337 552 W HA -0.170 4.490 4.660 -0.000 0.000 0.272 552 W C -0.255 176.344 176.519 0.135 0.000 1.203 552 W CA 1.503 58.941 57.345 0.154 0.000 1.165 552 W CB -0.448 29.075 29.460 0.105 0.000 1.133 552 W HN 0.220 nan 8.180 nan 0.000 0.571 553 D N 0.350 120.360 120.400 -0.650 0.000 2.582 553 D HA -0.050 4.590 4.640 -0.000 0.000 0.246 553 D C 1.650 177.741 176.300 -0.349 0.000 1.334 553 D CA 0.375 53.926 54.000 -0.748 0.000 0.805 553 D CB -0.757 39.102 40.800 -1.569 0.000 1.087 553 D HN 0.232 nan 8.370 nan 0.000 0.499 554 Q N 1.559 121.270 119.800 -0.148 0.000 2.268 554 Q HA -0.251 4.089 4.340 -0.000 0.000 0.210 554 Q C 1.131 177.140 176.000 0.015 0.000 0.988 554 Q CA 2.225 58.015 55.803 -0.022 0.000 0.883 554 Q CB -0.846 27.955 28.738 0.105 0.000 0.911 554 Q HN 0.379 nan 8.270 nan 0.000 0.430 555 D N 0.091 120.477 120.400 -0.024 0.000 2.363 555 D HA -0.121 4.519 4.640 -0.000 0.000 0.220 555 D C 0.319 176.614 176.300 -0.009 0.000 0.994 555 D CA 0.698 54.717 54.000 0.031 0.000 0.890 555 D CB -0.324 40.399 40.800 -0.128 0.000 0.906 555 D HN 0.277 nan 8.370 nan 0.000 0.530 556 D N 0.449 120.783 120.400 -0.110 0.000 2.384 556 D HA -0.085 4.555 4.640 -0.000 0.000 0.222 556 D C 0.985 177.189 176.300 -0.160 0.000 0.976 556 D CA 0.631 54.550 54.000 -0.134 0.000 0.915 556 D CB 0.013 40.705 40.800 -0.179 0.000 0.896 556 D HN 0.139 nan 8.370 nan 0.000 0.523 557 D N -1.248 119.007 120.400 -0.241 0.000 2.234 557 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 557 D C 0.744 176.713 176.300 -0.552 0.000 0.962 557 D CA 0.598 54.321 54.000 -0.461 0.000 0.855 557 D CB 0.094 40.435 40.800 -0.766 0.000 0.951 557 D HN 0.256 nan 8.370 nan 0.000 0.500 558 F N 0.755 120.558 119.950 -0.244 0.000 2.641 558 F HA 0.221 4.748 4.527 -0.000 0.000 0.302 558 F C 0.849 176.425 175.800 -0.374 0.000 1.098 558 F CA -0.421 57.382 58.000 -0.328 0.000 1.318 558 F CB -0.165 38.475 39.000 -0.601 0.000 1.035 558 F HN -0.263 nan 8.300 nan 0.000 0.551 559 E N 1.204 121.318 120.200 -0.143 0.000 2.653 559 E HA -0.096 4.254 4.350 -0.000 0.000 0.264 559 E C -0.315 176.273 176.600 -0.021 0.000 0.949 559 E CA 0.031 56.359 56.400 -0.120 0.000 0.953 559 E CB 0.462 30.153 29.700 -0.015 0.000 0.925 559 E HN -0.018 nan 8.360 nan 0.000 0.475 560 F N 1.186 121.174 119.950 0.063 0.000 2.403 560 F HA 0.134 4.661 4.527 -0.000 0.000 0.320 560 F C 1.260 177.134 175.800 0.122 0.000 1.176 560 F CA -0.502 57.531 58.000 0.055 0.000 1.206 560 F CB 0.724 39.710 39.000 -0.023 0.000 1.235 560 F HN 0.318 nan 8.300 nan 0.000 0.565 561 T N -1.217 113.562 114.554 0.376 0.000 2.940 561 T HA 0.799 5.149 4.350 -0.000 0.000 0.288 561 T C -0.076 174.764 174.700 0.233 0.000 1.033 561 T CA -0.141 62.131 62.100 0.286 0.000 1.033 561 T CB 1.458 70.507 68.868 0.301 0.000 1.079 561 T HN 1.414 nan 8.240 nan 0.000 0.496 562 G N 1.027 109.942 108.800 0.191 0.000 2.661 562 G HA2 0.264 4.224 3.960 -0.000 0.000 0.685 562 G HA3 0.264 4.224 3.960 -0.000 0.000 0.685 562 G C -0.287 174.737 174.900 0.207 0.000 1.298 562 G CA -0.371 44.825 45.100 0.160 0.000 0.855 562 G HN 1.919 nan 8.290 nan 0.000 0.560 563 S N -0.659 115.152 115.700 0.184 0.000 2.608 563 S HA 0.693 5.163 4.470 -0.000 0.000 0.291 563 S C 0.314 175.107 174.600 0.323 0.000 1.146 563 S CA -0.439 57.900 58.200 0.232 0.000 1.043 563 S CB 1.016 64.300 63.200 0.139 0.000 1.037 563 S HN 0.826 nan 8.310 nan 0.000 0.520 564 H N 0.728 119.876 119.070 0.130 0.000 2.871 564 H HA 0.308 4.864 4.556 -0.000 0.000 0.355 564 H C -0.540 174.858 175.328 0.117 0.000 1.092 564 H CA -0.138 55.996 56.048 0.142 0.000 1.420 564 H CB 0.309 30.180 29.762 0.181 0.000 1.400 564 H HN 0.354 nan 8.280 nan 0.000 0.604 565 L N 0.771 122.105 121.223 0.185 0.000 2.250 565 L HA 0.443 4.783 4.340 -0.000 0.000 0.252 565 L C 0.246 177.156 176.870 0.067 0.000 1.054 565 L CA -0.669 54.234 54.840 0.106 0.000 0.856 565 L CB 2.075 44.161 42.059 0.045 0.000 1.443 565 L HN 0.760 nan 8.230 nan 0.000 0.427 566 T N -2.751 111.811 114.554 0.014 0.000 2.883 566 T HA 0.748 5.098 4.350 -0.000 0.000 0.296 566 T C -1.048 173.603 174.700 -0.083 0.000 1.117 566 T CA -0.780 61.292 62.100 -0.046 0.000 1.006 566 T CB 1.538 70.378 68.868 -0.046 0.000 1.191 566 T HN 0.226 nan 8.240 nan 0.000 0.508 567 V N 2.481 122.325 119.914 -0.116 0.000 2.333 567 V HA 0.419 4.539 4.120 -0.000 0.000 0.274 567 V C 1.626 177.772 176.094 0.087 0.000 1.028 567 V CA -0.669 61.579 62.300 -0.086 0.000 0.851 567 V CB 0.708 32.395 31.823 -0.227 0.000 1.000 567 V HN 0.981 nan 8.190 nan 0.000 0.456 568 R N 4.199 124.755 120.500 0.092 0.000 2.115 568 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 568 R C 1.492 177.945 176.300 0.256 0.000 1.111 568 R CA 1.555 57.769 56.100 0.190 0.000 0.976 568 R CB 0.168 30.541 30.300 0.121 0.000 0.870 568 R HN 0.879 nan 8.270 nan 0.000 0.445 569 N N -0.413 118.375 118.700 0.147 0.000 2.273 569 N HA 0.132 4.872 4.740 -0.000 0.000 0.231 569 N C -0.501 175.060 175.510 0.086 0.000 1.134 569 N CA 0.568 53.678 53.050 0.099 0.000 0.856 569 N CB 0.706 39.230 38.487 0.063 0.000 1.068 569 N HN 0.229 nan 8.380 nan 0.000 0.510 570 G N 0.542 109.421 108.800 0.132 0.000 3.153 570 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.686 570 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.686 570 G C -0.161 174.850 174.900 0.185 0.000 0.995 570 G CA -0.374 44.808 45.100 0.136 0.000 0.783 570 G HN 0.145 nan 8.290 nan 0.000 0.551 571 Y N 2.445 122.800 120.300 0.092 0.000 2.274 571 Y HA -0.167 4.382 4.550 -0.000 0.000 0.290 571 Y C 3.114 179.048 175.900 0.057 0.000 1.145 571 Y CA 2.350 60.494 58.100 0.073 0.000 1.203 571 Y CB -0.438 38.063 38.460 0.069 0.000 0.984 571 Y HN 1.098 nan 8.280 nan 0.000 0.533 572 S N -0.574 115.260 115.700 0.225 0.000 2.407 572 S HA -0.308 4.162 4.470 -0.000 0.000 0.235 572 S C 2.358 177.021 174.600 0.105 0.000 1.036 572 S CA 1.463 59.736 58.200 0.122 0.000 1.013 572 S CB -1.908 61.346 63.200 0.090 0.000 0.820 572 S HN 0.668 nan 8.310 nan 0.000 0.476 573 C N 0.445 119.814 119.300 0.115 0.000 2.397 573 C HA -0.049 4.411 4.460 -0.000 0.000 0.282 573 C C 2.273 177.320 174.990 0.095 0.000 1.252 573 C CA 0.534 59.605 59.018 0.089 0.000 1.811 573 C CB -1.968 25.822 27.740 0.084 0.000 2.027 573 C HN 0.457 nan 8.230 nan 0.000 0.503 574 V N 1.775 121.773 119.914 0.141 0.000 2.331 574 V HA 0.009 4.129 4.120 -0.000 0.000 0.242 574 V C 0.398 176.530 176.094 0.063 0.000 1.034 574 V CA 2.194 64.568 62.300 0.124 0.000 1.027 574 V CB -1.273 30.673 31.823 0.205 0.000 0.667 574 V HN 0.292 nan 8.190 nan 0.000 0.457 575 P HA -0.121 nan 4.420 nan 0.000 0.215 575 P C 1.908 179.214 177.300 0.010 0.000 1.157 575 P CA 1.485 64.590 63.100 0.009 0.000 0.868 575 P CB -0.089 31.608 31.700 -0.005 0.000 0.788 576 V N 0.066 119.991 119.914 0.019 0.000 2.392 576 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 576 V C 2.432 178.529 176.094 0.004 0.000 1.059 576 V CA 2.197 64.502 62.300 0.009 0.000 1.051 576 V CB -1.853 29.979 31.823 0.014 0.000 0.658 576 V HN 0.110 nan 8.190 nan 0.000 0.455 577 A N -0.233 122.596 122.820 0.015 0.000 1.902 577 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 577 A C 2.242 179.824 177.584 -0.004 0.000 1.181 577 A CA 1.728 53.770 52.037 0.009 0.000 0.623 577 A CB -0.439 18.576 19.000 0.024 0.000 0.818 577 A HN 0.498 nan 8.150 nan 0.000 0.443 578 L N -0.921 120.303 121.223 0.001 0.000 2.023 578 L HA -0.141 4.198 4.340 -0.000 0.000 0.205 578 L C 3.051 179.902 176.870 -0.033 0.000 1.073 578 L CA 0.947 55.780 54.840 -0.012 0.000 0.745 578 L CB -0.717 41.342 42.059 0.000 0.000 0.900 578 L HN 0.420 nan 8.230 nan 0.000 0.435 579 A N -0.665 122.137 122.820 -0.030 0.000 2.117 579 A HA -0.239 4.081 4.320 -0.000 0.000 0.224 579 A C 1.296 178.855 177.584 -0.043 0.000 1.167 579 A CA 1.218 53.232 52.037 -0.039 0.000 0.664 579 A CB -0.695 18.286 19.000 -0.031 0.000 0.811 579 A HN 0.426 nan 8.150 nan 0.000 0.470 580 E N -0.362 119.814 120.200 -0.040 0.000 2.257 580 E HA 0.347 4.697 4.350 -0.000 0.000 0.278 580 E C 0.857 177.426 176.600 -0.052 0.000 1.049 580 E CA 0.708 57.084 56.400 -0.041 0.000 0.876 580 E CB 0.128 29.807 29.700 -0.035 0.000 1.035 580 E HN 0.830 nan 8.360 nan 0.000 0.419 581 G N 4.140 112.912 108.800 -0.047 0.000 2.142 581 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 581 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 581 G C -0.104 174.764 174.900 -0.054 0.000 1.015 581 G CA 0.209 45.279 45.100 -0.050 0.000 0.716 581 G HN 0.424 nan 8.290 nan 0.000 0.508 582 L N -0.465 120.726 121.223 -0.053 0.000 2.371 582 L HA 0.545 4.885 4.340 -0.000 0.000 0.262 582 L C -0.736 176.101 176.870 -0.054 0.000 1.006 582 L CA -1.146 53.659 54.840 -0.058 0.000 0.818 582 L CB 1.957 43.976 42.059 -0.067 0.000 1.354 582 L HN 0.059 nan 8.230 nan 0.000 0.415 583 D N 2.613 122.979 120.400 -0.057 0.000 2.393 583 D HA 0.459 5.099 4.640 -0.000 0.000 0.232 583 D C -0.809 175.446 176.300 -0.075 0.000 1.192 583 D CA 0.232 54.201 54.000 -0.053 0.000 0.882 583 D CB 0.294 41.070 40.800 -0.039 0.000 1.038 583 D HN 0.249 nan 8.370 nan 0.000 0.499 584 I N 3.756 124.282 120.570 -0.074 0.000 2.466 584 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 584 I C -0.116 175.937 176.117 -0.107 0.000 1.026 584 I CA -1.021 60.220 61.300 -0.099 0.000 1.078 584 I CB 1.844 39.792 38.000 -0.087 0.000 1.249 584 I HN -0.065 nan 8.210 nan 0.000 0.429 585 K N 7.798 128.107 120.400 -0.151 0.000 2.354 585 K HA 0.499 4.819 4.320 -0.000 0.000 0.257 585 K C -0.535 175.954 176.600 -0.185 0.000 1.062 585 K CA -0.439 55.748 56.287 -0.166 0.000 0.971 585 K CB 0.992 33.361 32.500 -0.218 0.000 1.305 585 K HN 0.539 nan 8.250 nan 0.000 0.449 586 L N 1.887 123.023 121.223 -0.145 0.000 2.464 586 L HA 0.136 4.476 4.340 -0.000 0.000 0.264 586 L C 0.689 177.459 176.870 -0.167 0.000 1.199 586 L CA -0.307 54.444 54.840 -0.147 0.000 0.818 586 L CB 0.114 42.113 42.059 -0.101 0.000 1.102 586 L HN 0.682 nan 8.230 nan 0.000 0.473 587 N N 0.685 119.275 118.700 -0.183 0.000 2.708 587 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 587 N C -0.834 174.545 175.510 -0.219 0.000 1.046 587 N CA 0.792 53.736 53.050 -0.177 0.000 0.715 587 N CB -1.251 37.175 38.487 -0.102 0.000 0.895 587 N HN 0.729 nan 8.380 nan 0.000 0.545 588 T N -0.379 114.006 114.554 -0.281 0.000 3.187 588 T HA 0.530 4.880 4.350 -0.000 0.000 0.328 588 T C -0.128 174.403 174.700 -0.283 0.000 0.951 588 T CA -0.490 61.434 62.100 -0.294 0.000 1.049 588 T CB 1.660 70.324 68.868 -0.340 0.000 1.015 588 T HN 0.394 nan 8.240 nan 0.000 0.461 589 A N 3.371 126.064 122.820 -0.211 0.000 2.341 589 A HA 0.667 4.987 4.320 -0.000 0.000 0.326 589 A C 0.398 177.928 177.584 -0.090 0.000 1.402 589 A CA -0.554 51.354 52.037 -0.214 0.000 0.957 589 A CB 0.130 19.049 19.000 -0.134 0.000 1.151 589 A HN 0.718 nan 8.150 nan 0.000 0.533 590 V N 4.193 124.044 119.914 -0.105 0.000 2.599 590 V HA 0.042 4.161 4.120 -0.000 0.000 0.300 590 V C 1.237 177.313 176.094 -0.030 0.000 1.034 590 V CA 0.538 62.804 62.300 -0.056 0.000 1.115 590 V CB 0.441 32.217 31.823 -0.078 0.000 0.934 590 V HN 0.993 nan 8.190 nan 0.000 0.485 591 R N 2.454 122.941 120.500 -0.023 0.000 2.383 591 R HA 0.251 4.590 4.340 -0.000 0.000 0.205 591 R C 0.414 176.668 176.300 -0.077 0.000 0.875 591 R CA 0.112 56.198 56.100 -0.023 0.000 1.039 591 R CB 0.804 31.112 30.300 0.013 0.000 1.267 591 R HN 0.773 nan 8.270 nan 0.000 0.635 592 Q N 0.835 120.585 119.800 -0.083 0.000 2.284 592 Q HA 0.339 4.679 4.340 -0.000 0.000 0.269 592 Q C -1.809 174.122 176.000 -0.116 0.000 1.026 592 Q CA -0.345 55.384 55.803 -0.124 0.000 0.831 592 Q CB 2.812 31.515 28.738 -0.058 0.000 1.322 592 Q HN -0.146 nan 8.270 nan 0.000 0.419 593 V N 4.400 124.188 119.914 -0.210 0.000 2.398 593 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 593 V C -0.530 175.664 176.094 0.167 0.000 1.026 593 V CA -0.424 61.865 62.300 -0.019 0.000 0.868 593 V CB 1.667 33.482 31.823 -0.013 0.000 0.982 593 V HN 0.694 nan 8.190 nan 0.000 0.443 594 R N 4.768 125.375 120.500 0.179 0.000 2.513 594 R HA 0.621 4.961 4.340 -0.000 0.000 0.301 594 R C -1.766 174.633 176.300 0.166 0.000 0.968 594 R CA -0.661 55.495 56.100 0.093 0.000 0.872 594 R CB 2.208 32.523 30.300 0.025 0.000 1.177 594 R HN 0.790 nan 8.270 nan 0.000 0.444 595 Y N -1.111 119.229 120.300 0.066 0.000 2.470 595 Y HA 0.705 5.255 4.550 -0.000 0.000 0.341 595 Y C -0.497 175.430 175.900 0.044 0.000 1.021 595 Y CA -1.086 57.046 58.100 0.054 0.000 1.025 595 Y CB 1.805 40.296 38.460 0.051 0.000 1.266 595 Y HN 0.601 nan 8.280 nan 0.000 0.448 596 T N -1.329 113.278 114.554 0.089 0.000 2.838 596 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 596 T C 0.954 175.706 174.700 0.086 0.000 1.113 596 T CA -0.465 61.650 62.100 0.025 0.000 1.008 596 T CB 1.390 70.259 68.868 0.001 0.000 1.259 596 T HN 1.220 nan 8.240 nan 0.000 0.520 597 A N 1.210 124.066 122.820 0.059 0.000 1.971 597 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 597 A C 2.159 179.792 177.584 0.083 0.000 1.182 597 A CA 2.787 54.865 52.037 0.068 0.000 0.649 597 A CB -1.353 17.674 19.000 0.044 0.000 0.818 597 A HN 1.602 nan 8.150 nan 0.000 0.458 598 S N -2.984 112.760 115.700 0.073 0.000 2.629 598 S HA 0.540 5.010 4.470 -0.000 0.000 0.236 598 S C 0.556 175.206 174.600 0.083 0.000 1.010 598 S CA 0.586 58.832 58.200 0.076 0.000 0.981 598 S CB 0.091 63.322 63.200 0.052 0.000 0.919 598 S HN 1.876 nan 8.310 nan 0.000 0.514 599 G N -0.030 108.828 108.800 0.096 0.000 2.356 599 G HA2 0.344 4.304 3.960 -0.000 0.000 0.300 599 G HA3 0.344 4.304 3.960 -0.000 0.000 0.300 599 G C -1.265 173.699 174.900 0.107 0.000 1.331 599 G CA -0.341 44.817 45.100 0.096 0.000 0.905 599 G HN 0.598 nan 8.290 nan 0.000 0.587 600 C N -0.292 119.071 119.300 0.104 0.000 2.667 600 C HA 0.934 5.394 4.460 -0.000 0.000 0.323 600 C C -0.237 174.810 174.990 0.095 0.000 1.214 600 C CA -0.911 58.182 59.018 0.126 0.000 1.721 600 C CB 1.139 28.975 27.740 0.160 0.000 2.275 600 C HN 1.006 nan 8.230 nan 0.000 0.491 601 E N 0.147 120.405 120.200 0.097 0.000 2.272 601 E HA 0.729 5.079 4.350 -0.000 0.000 0.269 601 E C -1.783 174.878 176.600 0.103 0.000 0.877 601 E CA -0.648 55.807 56.400 0.091 0.000 0.755 601 E CB 1.651 31.387 29.700 0.060 0.000 1.192 601 E HN 0.361 nan 8.360 nan 0.000 0.422 602 V N 3.642 123.636 119.914 0.135 0.000 2.448 602 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 602 V C -0.320 175.882 176.094 0.181 0.000 1.025 602 V CA -0.713 61.666 62.300 0.132 0.000 0.859 602 V CB 1.114 33.010 31.823 0.122 0.000 0.988 602 V HN 0.650 nan 8.190 nan 0.000 0.431 603 I N 4.151 124.790 120.570 0.114 0.000 2.355 603 I HA 0.804 4.974 4.170 -0.000 0.000 0.288 603 I C 0.296 176.483 176.117 0.117 0.000 0.999 603 I CA -0.319 61.054 61.300 0.122 0.000 1.163 603 I CB 1.563 39.600 38.000 0.062 0.000 1.316 603 I HN 0.693 nan 8.210 nan 0.000 0.454 604 A N 5.860 128.795 122.820 0.191 0.000 2.386 604 A HA 0.941 5.261 4.320 -0.000 0.000 0.308 604 A C -0.448 177.245 177.584 0.182 0.000 1.128 604 A CA -0.617 51.498 52.037 0.130 0.000 0.789 604 A CB 1.947 20.998 19.000 0.085 0.000 1.325 604 A HN 0.602 nan 8.150 nan 0.000 0.437 605 V N -0.925 119.057 119.914 0.113 0.000 3.166 605 V HA 0.713 4.833 4.120 -0.000 0.000 0.317 605 V C -0.251 175.888 176.094 0.075 0.000 1.136 605 V CA -0.999 61.400 62.300 0.166 0.000 1.035 605 V CB 1.675 33.571 31.823 0.122 0.000 1.110 605 V HN 0.958 nan 8.190 nan 0.000 0.450 606 N N 0.667 119.450 118.700 0.139 0.000 2.444 606 N HA 0.307 5.047 4.740 -0.000 0.000 0.271 606 N C 1.070 176.609 175.510 0.049 0.000 1.069 606 N CA 0.411 53.495 53.050 0.056 0.000 0.965 606 N CB 1.579 40.163 38.487 0.162 0.000 1.092 606 N HN 0.915 nan 8.380 nan 0.000 0.476 607 T N 1.300 115.859 114.554 0.008 0.000 2.962 607 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 607 T C 1.545 176.285 174.700 0.067 0.000 1.088 607 T CA 0.968 63.098 62.100 0.051 0.000 1.127 607 T CB -0.059 68.832 68.868 0.038 0.000 0.883 607 T HN 0.451 nan 8.240 nan 0.000 0.493 608 R N 1.968 122.498 120.500 0.050 0.000 2.051 608 R HA 0.125 4.464 4.340 -0.000 0.000 0.225 608 R C 1.384 177.716 176.300 0.052 0.000 1.155 608 R CA 1.145 57.274 56.100 0.049 0.000 0.945 608 R CB -0.164 30.159 30.300 0.038 0.000 0.840 608 R HN 0.441 nan 8.270 nan 0.000 0.432 609 S N 0.205 115.940 115.700 0.058 0.000 2.420 609 S HA 0.095 4.565 4.470 -0.000 0.000 0.313 609 S C 0.909 175.551 174.600 0.070 0.000 1.079 609 S CA -0.419 57.815 58.200 0.056 0.000 1.104 609 S CB 1.658 64.887 63.200 0.048 0.000 0.969 609 S HN 0.351 nan 8.310 nan 0.000 0.471 610 T N 1.415 116.007 114.554 0.064 0.000 2.857 610 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 610 T C 1.947 176.690 174.700 0.071 0.000 1.048 610 T CA 1.591 63.735 62.100 0.073 0.000 1.139 610 T CB -1.077 67.832 68.868 0.068 0.000 0.874 610 T HN 0.866 nan 8.240 nan 0.000 0.455 611 S N 0.538 116.269 115.700 0.052 0.000 2.442 611 S HA -0.056 4.413 4.470 -0.000 0.000 0.236 611 S C 1.318 175.941 174.600 0.039 0.000 1.007 611 S CA 0.215 58.438 58.200 0.038 0.000 0.965 611 S CB -0.782 62.431 63.200 0.022 0.000 0.773 611 S HN 0.630 nan 8.310 nan 0.000 0.504 612 Q N 2.411 122.247 119.800 0.060 0.000 2.301 612 Q HA 0.154 4.494 4.340 -0.000 0.000 0.262 612 Q C -0.811 175.251 176.000 0.103 0.000 1.168 612 Q CA 0.418 56.255 55.803 0.055 0.000 0.908 612 Q CB 0.087 28.883 28.738 0.096 0.000 1.348 612 Q HN 0.344 nan 8.270 nan 0.000 0.441 613 T N 3.643 118.174 114.554 -0.038 0.000 2.928 613 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 613 T C -0.686 173.895 174.700 -0.197 0.000 1.008 613 T CA -0.153 61.954 62.100 0.013 0.000 1.057 613 T CB 0.459 69.319 68.868 -0.014 0.000 1.018 613 T HN 0.307 nan 8.240 nan 0.000 0.493 614 F N 1.655 121.584 119.950 -0.035 0.000 2.556 614 F HA 0.592 5.119 4.527 -0.000 0.000 0.314 614 F C -0.282 175.430 175.800 -0.147 0.000 1.106 614 F CA -1.120 56.811 58.000 -0.114 0.000 0.911 614 F CB 1.595 40.577 39.000 -0.031 0.000 1.190 614 F HN 0.172 nan 8.300 nan 0.000 0.448 615 I N 3.214 123.688 120.570 -0.160 0.000 2.465 615 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 615 I C -1.343 174.554 176.117 -0.367 0.000 1.014 615 I CA -0.887 60.331 61.300 -0.137 0.000 1.093 615 I CB 1.949 39.896 38.000 -0.089 0.000 1.267 615 I HN 0.540 nan 8.210 nan 0.000 0.431 616 Y N 4.653 124.988 120.300 0.058 0.000 2.350 616 Y HA 0.389 4.939 4.550 -0.000 0.000 0.338 616 Y C 0.200 176.114 175.900 0.023 0.000 0.961 616 Y CA -0.805 57.318 58.100 0.039 0.000 1.100 616 Y CB 1.887 40.363 38.460 0.026 0.000 1.179 616 Y HN 0.270 nan 8.280 nan 0.000 0.454 617 K N 3.799 124.276 120.400 0.129 0.000 2.185 617 K HA 0.689 5.008 4.320 -0.000 0.000 0.269 617 K C -0.686 175.958 176.600 0.073 0.000 0.987 617 K CA -0.348 55.987 56.287 0.080 0.000 0.865 617 K CB 1.434 33.958 32.500 0.040 0.000 1.090 617 K HN 0.883 nan 8.250 nan 0.000 0.450 618 C N -1.019 118.312 119.300 0.052 0.000 3.323 618 C HA 0.433 4.893 4.460 -0.000 0.000 0.324 618 C C 0.909 175.890 174.990 -0.014 0.000 1.428 618 C CA -0.809 58.214 59.018 0.008 0.000 1.368 618 C CB 1.104 28.842 27.740 -0.003 0.000 1.731 618 C HN 0.804 nan 8.230 nan 0.000 0.455 619 D N 0.830 121.173 120.400 -0.094 0.000 2.213 619 D HA 0.269 4.909 4.640 -0.000 0.000 0.205 619 D C 0.712 176.929 176.300 -0.138 0.000 0.961 619 D CA 1.842 55.753 54.000 -0.149 0.000 0.853 619 D CB 0.477 41.052 40.800 -0.374 0.000 0.967 619 D HN 0.972 nan 8.370 nan 0.000 0.496 620 A N 0.387 123.113 122.820 -0.157 0.000 2.520 620 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 620 A C -1.013 176.588 177.584 0.029 0.000 1.051 620 A CA -0.600 51.450 52.037 0.022 0.000 0.690 620 A CB 1.846 20.877 19.000 0.051 0.000 1.281 620 A HN -0.104 nan 8.150 nan 0.000 0.402 621 V N 2.063 122.030 119.914 0.089 0.000 2.398 621 V HA 0.570 4.690 4.120 -0.000 0.000 0.286 621 V C -0.433 175.690 176.094 0.049 0.000 1.026 621 V CA -0.477 61.844 62.300 0.034 0.000 0.868 621 V CB 1.182 33.017 31.823 0.021 0.000 0.982 621 V HN 0.844 nan 8.190 nan 0.000 0.443 622 L N 5.851 127.076 121.223 0.003 0.000 2.287 622 L HA 0.646 4.986 4.340 -0.000 0.000 0.287 622 L C -0.362 176.493 176.870 -0.025 0.000 1.022 622 L CA 0.024 54.861 54.840 -0.005 0.000 0.814 622 L CB 1.175 43.217 42.059 -0.028 0.000 1.217 622 L HN 0.839 nan 8.230 nan 0.000 0.420 623 C N 4.172 123.447 119.300 -0.042 0.000 2.239 623 C HA 0.527 4.987 4.460 -0.000 0.000 0.323 623 C C 1.374 176.463 174.990 0.164 0.000 1.205 623 C CA 0.147 59.199 59.018 0.057 0.000 1.584 623 C CB -0.482 27.282 27.740 0.041 0.000 2.201 623 C HN 0.973 nan 8.230 nan 0.000 0.475 624 T N 4.874 119.498 114.554 0.118 0.000 3.223 624 T HA 0.272 4.622 4.350 -0.000 0.000 0.259 624 T C 0.302 175.106 174.700 0.173 0.000 1.015 624 T CA -0.263 61.915 62.100 0.131 0.000 0.908 624 T CB -0.546 68.353 68.868 0.051 0.000 1.054 624 T HN 0.683 nan 8.240 nan 0.000 0.567 625 L N 2.196 123.537 121.223 0.198 0.000 2.499 625 L HA 0.292 4.632 4.340 -0.000 0.000 0.273 625 L C -2.000 174.948 176.870 0.131 0.000 1.195 625 L CA -1.930 53.001 54.840 0.152 0.000 0.882 625 L CB -0.030 42.118 42.059 0.148 0.000 1.133 625 L HN 0.082 nan 8.230 nan 0.000 0.483 626 P HA -0.110 nan 4.420 nan 0.000 0.267 626 P C 0.434 177.438 177.300 -0.494 0.000 1.201 626 P CA -0.179 62.841 63.100 -0.133 0.000 0.775 626 P CB 0.579 32.234 31.700 -0.075 0.000 0.854 627 L N 3.539 124.199 121.223 -0.939 0.000 2.056 627 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 627 L C 2.208 178.547 176.870 -0.886 0.000 1.078 627 L CA 2.475 56.704 54.840 -1.018 0.000 0.749 627 L CB -1.608 39.890 42.059 -0.935 0.000 0.901 627 L HN 0.505 nan 8.230 nan 0.000 0.433 628 G N -0.563 107.376 108.800 -1.436 0.000 2.529 628 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 628 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 628 G C 1.525 176.267 174.900 -0.263 0.000 1.177 628 G CA 1.468 46.197 45.100 -0.620 0.000 0.773 628 G HN 0.352 nan 8.290 nan 0.000 0.573 629 V N 1.080 120.858 119.914 -0.225 0.000 2.295 629 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 629 V C 2.870 178.918 176.094 -0.077 0.000 1.049 629 V CA 1.521 63.777 62.300 -0.074 0.000 1.024 629 V CB -0.479 31.350 31.823 0.010 0.000 0.648 629 V HN 0.365 nan 8.190 nan 0.000 0.447 630 L N -0.577 120.562 121.223 -0.140 0.000 2.349 630 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 630 L C 2.348 179.150 176.870 -0.113 0.000 1.130 630 L CA 1.447 56.228 54.840 -0.098 0.000 0.791 630 L CB -0.552 41.386 42.059 -0.201 0.000 0.918 630 L HN 0.360 nan 8.230 nan 0.000 0.444 631 K N -0.706 119.605 120.400 -0.148 0.000 2.323 631 K HA 0.037 4.357 4.320 -0.000 0.000 0.197 631 K C 0.665 177.228 176.600 -0.062 0.000 1.043 631 K CA -0.144 56.074 56.287 -0.115 0.000 0.997 631 K CB 0.262 32.687 32.500 -0.125 0.000 0.807 631 K HN 0.268 nan 8.250 nan 0.000 0.497 632 Q N 1.438 121.210 119.800 -0.048 0.000 2.304 632 Q HA -0.101 4.239 4.340 -0.000 0.000 0.315 632 Q C -0.646 175.342 176.000 -0.020 0.000 1.075 632 Q CA 0.853 56.639 55.803 -0.027 0.000 0.988 632 Q CB 0.505 29.230 28.738 -0.021 0.000 1.146 632 Q HN -0.066 nan 8.270 nan 0.000 0.383 633 Q N 3.713 123.502 119.800 -0.018 0.000 2.327 633 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 633 Q C -2.282 173.710 176.000 -0.014 0.000 1.022 633 Q CA -1.562 54.232 55.803 -0.015 0.000 0.773 633 Q CB 1.395 30.123 28.738 -0.016 0.000 1.251 633 Q HN 0.404 nan 8.270 nan 0.000 0.457 634 P HA 0.526 nan 4.420 nan 0.000 0.281 634 P C -2.665 174.632 177.300 -0.006 0.000 1.264 634 P CA -1.756 61.339 63.100 -0.008 0.000 0.824 634 P CB -0.013 31.683 31.700 -0.006 0.000 1.092 635 P HA 0.052 nan 4.420 nan 0.000 0.266 635 P C 0.100 177.400 177.300 0.000 0.000 1.195 635 P CA 0.159 63.263 63.100 0.005 0.000 0.768 635 P CB 0.353 32.062 31.700 0.016 0.000 0.838 636 A N 2.853 125.676 122.820 0.006 0.000 1.956 636 A HA 0.115 4.435 4.320 -0.000 0.000 0.212 636 A C 0.735 178.321 177.584 0.004 0.000 1.188 636 A CA 1.020 53.068 52.037 0.019 0.000 0.675 636 A CB -0.214 18.813 19.000 0.046 0.000 0.845 636 A HN 0.415 nan 8.150 nan 0.000 0.455 637 V N 0.809 120.703 119.914 -0.033 0.000 2.547 637 V HA 0.352 4.472 4.120 -0.000 0.000 0.299 637 V C -0.302 175.665 176.094 -0.212 0.000 1.040 637 V CA -0.612 61.596 62.300 -0.152 0.000 0.913 637 V CB 1.609 33.293 31.823 -0.231 0.000 0.992 637 V HN 0.551 nan 8.190 nan 0.000 0.449 638 Q N 2.526 122.157 119.800 -0.282 0.000 2.333 638 Q HA 0.508 4.848 4.340 -0.000 0.000 0.267 638 Q C -1.835 173.977 176.000 -0.313 0.000 1.012 638 Q CA -0.498 55.194 55.803 -0.184 0.000 0.824 638 Q CB 1.771 30.459 28.738 -0.084 0.000 1.290 638 Q HN 0.621 nan 8.270 nan 0.000 0.449 639 F N 1.864 121.853 119.950 0.065 0.000 2.404 639 F HA 0.428 4.955 4.527 -0.000 0.000 0.339 639 F C 0.062 175.904 175.800 0.070 0.000 1.105 639 F CA -0.643 57.430 58.000 0.121 0.000 1.087 639 F CB 1.571 40.676 39.000 0.174 0.000 1.143 639 F HN 0.155 nan 8.300 nan 0.000 0.491 640 V N 5.229 125.274 119.914 0.219 0.000 2.398 640 V HA 0.320 4.440 4.120 -0.000 0.000 0.282 640 V C -2.227 173.654 176.094 -0.356 0.000 1.014 640 V CA -1.614 60.673 62.300 -0.021 0.000 0.838 640 V CB 1.482 33.286 31.823 -0.032 0.000 1.018 640 V HN 0.509 nan 8.190 nan 0.000 0.432 641 P HA 0.427 nan 4.420 nan 0.000 0.276 641 P C -2.832 174.512 177.300 0.073 0.000 1.261 641 P CA -2.085 60.943 63.100 -0.121 0.000 0.800 641 P CB 0.414 32.038 31.700 -0.127 0.000 1.066 642 P HA 0.107 nan 4.420 nan 0.000 0.270 642 P C -0.085 177.262 177.300 0.078 0.000 1.223 642 P CA 0.087 63.258 63.100 0.119 0.000 0.785 642 P CB 0.229 31.959 31.700 0.051 0.000 0.923 643 L N 3.426 124.650 121.223 0.002 0.000 2.453 643 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 643 L C -1.553 175.168 176.870 -0.250 0.000 1.182 643 L CA -1.618 53.101 54.840 -0.200 0.000 0.858 643 L CB -0.361 41.482 42.059 -0.360 0.000 1.120 643 L HN 0.300 nan 8.230 nan 0.000 0.474 644 P HA -0.089 nan 4.420 nan 0.000 0.266 644 P C 0.227 177.260 177.300 -0.446 0.000 1.193 644 P CA -0.079 62.782 63.100 -0.397 0.000 0.770 644 P CB 0.598 31.913 31.700 -0.642 0.000 0.836 645 E N 3.974 124.048 120.200 -0.210 0.000 2.130 645 E HA -0.214 4.135 4.350 -0.000 0.000 0.196 645 E C 1.794 178.337 176.600 -0.094 0.000 0.998 645 E CA 1.726 58.055 56.400 -0.119 0.000 0.806 645 E CB -0.989 28.699 29.700 -0.020 0.000 0.738 645 E HN 0.674 nan 8.360 nan 0.000 0.459 646 W N 1.052 122.319 121.300 -0.055 0.000 2.421 646 W HA -0.066 4.594 4.660 -0.000 0.000 0.270 646 W C 1.576 178.034 176.519 -0.101 0.000 1.233 646 W CA 1.132 58.435 57.345 -0.070 0.000 1.226 646 W CB -0.541 28.883 29.460 -0.060 0.000 1.121 646 W HN 0.167 nan 8.180 nan 0.000 0.579 647 K N 2.003 121.925 120.400 -0.797 0.000 2.166 647 K HA -0.086 4.233 4.320 -0.000 0.000 0.201 647 K C 2.378 178.739 176.600 -0.398 0.000 1.052 647 K CA 2.599 58.448 56.287 -0.729 0.000 0.969 647 K CB -0.723 31.076 32.500 -1.168 0.000 0.761 647 K HN 0.087 nan 8.250 nan 0.000 0.459 648 T N -1.980 112.371 114.554 -0.338 0.000 2.737 648 T HA -0.051 4.299 4.350 -0.000 0.000 0.265 648 T C 2.061 176.665 174.700 -0.161 0.000 1.038 648 T CA 1.524 63.487 62.100 -0.227 0.000 1.144 648 T CB -0.664 68.101 68.868 -0.171 0.000 0.866 648 T HN 0.081 nan 8.240 nan 0.000 0.434 649 S N 2.055 117.685 115.700 -0.117 0.000 2.392 649 S HA -0.073 4.397 4.470 -0.000 0.000 0.232 649 S C 2.526 177.074 174.600 -0.086 0.000 1.041 649 S CA 1.277 59.434 58.200 -0.073 0.000 1.026 649 S CB -0.855 62.330 63.200 -0.024 0.000 0.845 649 S HN 0.796 nan 8.310 nan 0.000 0.465 650 A N 0.521 123.282 122.820 -0.098 0.000 1.968 650 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 650 A C 2.256 179.731 177.584 -0.183 0.000 1.169 650 A CA 0.981 52.944 52.037 -0.123 0.000 0.638 650 A CB -0.502 18.440 19.000 -0.096 0.000 0.812 650 A HN 0.359 nan 8.150 nan 0.000 0.446 651 V N -0.492 119.301 119.914 -0.202 0.000 2.453 651 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 651 V C 2.629 178.616 176.094 -0.179 0.000 1.048 651 V CA 2.192 64.357 62.300 -0.224 0.000 1.049 651 V CB -0.692 30.988 31.823 -0.239 0.000 0.672 651 V HN 0.568 nan 8.190 nan 0.000 0.457 652 Q N -0.340 119.377 119.800 -0.139 0.000 2.049 652 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 652 Q C 2.459 178.394 176.000 -0.107 0.000 0.971 652 Q CA 1.430 57.169 55.803 -0.107 0.000 0.833 652 Q CB -0.232 28.459 28.738 -0.079 0.000 0.896 652 Q HN 0.477 nan 8.270 nan 0.000 0.434 653 R N -0.569 119.865 120.500 -0.110 0.000 2.096 653 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 653 R C 0.560 176.779 176.300 -0.136 0.000 1.127 653 R CA 0.602 56.642 56.100 -0.099 0.000 0.968 653 R CB -0.160 30.086 30.300 -0.090 0.000 0.861 653 R HN 0.303 nan 8.270 nan 0.000 0.440 654 M N -0.106 119.377 119.600 -0.194 0.000 2.198 654 M HA 0.102 4.582 4.480 -0.000 0.000 0.315 654 M C 0.641 176.758 176.300 -0.306 0.000 1.134 654 M CA 0.178 55.315 55.300 -0.271 0.000 1.171 654 M CB 0.874 33.276 32.600 -0.330 0.000 1.413 654 M HN 0.074 nan 8.290 nan 0.000 0.467 655 G N 1.340 109.839 108.800 -0.501 0.000 2.368 655 G HA2 0.580 4.540 3.960 -0.000 0.000 0.320 655 G HA3 0.580 4.540 3.960 -0.000 0.000 0.320 655 G C -1.837 172.681 174.900 -0.636 0.000 1.158 655 G CA -0.291 44.239 45.100 -0.950 0.000 0.912 655 G HN 0.520 nan 8.290 nan 0.000 0.456 656 F N 3.139 122.826 119.950 -0.439 0.000 2.382 656 F HA 0.636 5.163 4.527 -0.000 0.000 0.361 656 F C 0.655 176.473 175.800 0.031 0.000 1.109 656 F CA -0.900 56.998 58.000 -0.170 0.000 1.031 656 F CB 1.351 40.280 39.000 -0.120 0.000 1.234 656 F HN 0.617 nan 8.300 nan 0.000 0.445 657 G N 3.335 111.990 108.800 -0.242 0.000 2.543 657 G HA2 0.307 4.267 3.960 -0.000 0.000 0.267 657 G HA3 0.307 4.267 3.960 -0.000 0.000 0.267 657 G C -1.239 173.351 174.900 -0.517 0.000 1.406 657 G CA -0.481 44.508 45.100 -0.184 0.000 1.048 657 G HN 0.554 nan 8.290 nan 0.000 0.548 658 N N -1.903 116.555 118.700 -0.404 0.000 2.405 658 N HA 0.562 5.302 4.740 -0.000 0.000 0.274 658 N C -1.706 173.659 175.510 -0.241 0.000 1.170 658 N CA -0.581 52.294 53.050 -0.291 0.000 0.848 658 N CB 2.097 40.507 38.487 -0.128 0.000 1.629 658 N HN 0.799 nan 8.380 nan 0.000 0.481 659 L N 1.062 122.210 121.223 -0.124 0.000 2.591 659 L HA 0.682 5.022 4.340 -0.000 0.000 0.257 659 L C -1.920 175.044 176.870 0.157 0.000 0.935 659 L CA -0.578 54.269 54.840 0.011 0.000 0.873 659 L CB 1.838 43.925 42.059 0.048 0.000 1.397 659 L HN 0.424 nan 8.230 nan 0.000 0.414 660 N N 2.219 121.020 118.700 0.169 0.000 2.292 660 N HA 0.581 5.321 4.740 -0.000 0.000 0.303 660 N C -1.361 174.232 175.510 0.139 0.000 1.140 660 N CA -0.674 52.504 53.050 0.213 0.000 0.788 660 N CB 2.590 41.152 38.487 0.125 0.000 1.361 660 N HN 0.651 nan 8.380 nan 0.000 0.489 661 K N 0.378 120.856 120.400 0.130 0.000 2.203 661 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 661 K C -0.963 175.614 176.600 -0.038 0.000 0.944 661 K CA -0.784 55.524 56.287 0.035 0.000 0.829 661 K CB 2.027 34.560 32.500 0.055 0.000 1.125 661 K HN 0.145 nan 8.250 nan 0.000 0.430 662 V N 2.671 122.532 119.914 -0.089 0.000 2.444 662 V HA 0.265 4.385 4.120 -0.000 0.000 0.294 662 V C -0.684 175.333 176.094 -0.129 0.000 1.022 662 V CA -0.989 61.243 62.300 -0.113 0.000 0.850 662 V CB 1.672 33.430 31.823 -0.109 0.000 0.992 662 V HN 0.455 nan 8.190 nan 0.000 0.426 663 V N 6.185 126.002 119.914 -0.163 0.000 2.350 663 V HA 0.508 4.628 4.120 -0.000 0.000 0.276 663 V C -0.248 175.699 176.094 -0.245 0.000 1.028 663 V CA -0.491 61.697 62.300 -0.186 0.000 0.860 663 V CB 1.148 32.825 31.823 -0.244 0.000 0.990 663 V HN 0.646 nan 8.190 nan 0.000 0.453 664 L N 4.604 125.670 121.223 -0.261 0.000 2.298 664 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 664 L C -0.597 175.829 176.870 -0.740 0.000 1.013 664 L CA -0.124 54.444 54.840 -0.454 0.000 0.824 664 L CB 1.546 43.450 42.059 -0.258 0.000 1.221 664 L HN 0.621 nan 8.230 nan 0.000 0.418 665 C N 3.826 122.578 119.300 -0.913 0.000 2.301 665 C HA 0.681 5.141 4.460 -0.000 0.000 0.323 665 C C -0.148 174.407 174.990 -0.725 0.000 1.265 665 C CA -0.688 57.767 59.018 -0.937 0.000 1.503 665 C CB -0.180 26.884 27.740 -1.125 0.000 2.195 665 C HN 0.476 nan 8.230 nan 0.000 0.477 666 F N 1.739 121.715 119.950 0.044 0.000 2.639 666 F HA 0.407 4.934 4.527 -0.000 0.000 0.339 666 F C 1.495 177.459 175.800 0.274 0.000 1.071 666 F CA -1.137 56.993 58.000 0.216 0.000 0.994 666 F CB 0.892 40.085 39.000 0.322 0.000 1.341 666 F HN 0.548 nan 8.300 nan 0.000 0.498 667 D N -0.141 120.532 120.400 0.454 0.000 2.348 667 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 667 D C -0.024 176.399 176.300 0.204 0.000 0.998 667 D CA 0.393 54.566 54.000 0.290 0.000 0.873 667 D CB 0.434 41.358 40.800 0.207 0.000 0.925 667 D HN 0.598 nan 8.370 nan 0.000 0.524 668 R N -0.103 120.517 120.500 0.201 0.000 2.535 668 R HA 0.441 4.781 4.340 -0.000 0.000 0.274 668 R C -1.252 174.938 176.300 -0.184 0.000 1.090 668 R CA -0.856 55.264 56.100 0.033 0.000 0.930 668 R CB 1.285 31.589 30.300 0.007 0.000 1.223 668 R HN -0.231 nan 8.270 nan 0.000 0.441 669 V N 4.361 124.039 119.914 -0.394 0.000 2.493 669 V HA 0.013 4.133 4.120 -0.000 0.000 0.292 669 V C 0.364 175.913 176.094 -0.908 0.000 1.016 669 V CA 0.463 62.154 62.300 -1.017 0.000 1.097 669 V CB -0.644 30.767 31.823 -0.687 0.000 0.947 669 V HN 0.802 nan 8.190 nan 0.000 0.479 670 F N 3.072 122.222 119.950 -1.334 0.000 2.825 670 F HA 0.486 5.013 4.527 -0.000 0.000 0.322 670 F C -0.041 175.286 175.800 -0.788 0.000 1.127 670 F CA -1.544 55.996 58.000 -0.766 0.000 1.164 670 F CB -0.602 38.078 39.000 -0.535 0.000 1.101 670 F HN 0.432 nan 8.300 nan 0.000 0.529 671 W N -0.026 120.866 121.300 -0.681 0.000 2.630 671 W HA 0.576 5.236 4.660 -0.000 0.000 0.365 671 W C -0.290 176.131 176.519 -0.164 0.000 1.270 671 W CA -1.414 55.534 57.345 -0.661 0.000 1.291 671 W CB -0.104 29.052 29.460 -0.507 0.000 1.440 671 W HN -0.169 nan 8.180 nan 0.000 0.652 672 D N 1.322 121.880 120.400 0.263 0.000 2.342 672 D HA 0.151 4.791 4.640 -0.000 0.000 0.260 672 D C -1.425 175.005 176.300 0.217 0.000 1.278 672 D CA -2.106 52.005 54.000 0.185 0.000 0.910 672 D CB 1.191 42.108 40.800 0.195 0.000 1.079 672 D HN -0.023 nan 8.370 nan 0.000 0.496 673 P HA -0.136 nan 4.420 nan 0.000 0.220 673 P C 0.863 178.243 177.300 0.134 0.000 1.144 673 P CA 1.096 64.261 63.100 0.108 0.000 0.800 673 P CB 0.161 31.870 31.700 0.015 0.000 0.772 674 S N -2.676 113.093 115.700 0.116 0.000 2.634 674 S HA 0.143 4.613 4.470 -0.000 0.000 0.221 674 S C 0.437 175.108 174.600 0.118 0.000 0.952 674 S CA -0.305 57.956 58.200 0.102 0.000 0.930 674 S CB -0.513 62.731 63.200 0.073 0.000 0.780 674 S HN -0.159 nan 8.310 nan 0.000 0.498 675 V N 2.638 122.652 119.914 0.167 0.000 2.357 675 V HA 0.324 4.444 4.120 -0.000 0.000 0.284 675 V C 0.316 176.513 176.094 0.172 0.000 1.018 675 V CA -0.764 61.639 62.300 0.172 0.000 0.841 675 V CB 1.067 33.021 31.823 0.218 0.000 0.991 675 V HN 0.416 nan 8.190 nan 0.000 0.437 676 N N 4.214 122.969 118.700 0.092 0.000 2.171 676 N HA 0.100 4.840 4.740 -0.000 0.000 0.184 676 N C 0.099 175.567 175.510 -0.069 0.000 1.021 676 N CA 0.775 53.850 53.050 0.042 0.000 0.854 676 N CB 0.163 38.670 38.487 0.034 0.000 0.994 676 N HN 0.652 nan 8.380 nan 0.000 0.426 677 L N -1.653 119.491 121.223 -0.132 0.000 2.464 677 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 677 L C -1.485 175.306 176.870 -0.132 0.000 0.965 677 L CA -1.346 53.269 54.840 -0.375 0.000 0.833 677 L CB 1.309 42.915 42.059 -0.756 0.000 1.296 677 L HN -0.112 nan 8.230 nan 0.000 0.405 678 F N -0.130 119.722 119.950 -0.163 0.000 2.588 678 F HA 0.997 5.524 4.527 -0.000 0.000 0.310 678 F C 0.060 175.839 175.800 -0.035 0.000 1.082 678 F CA -0.746 57.196 58.000 -0.097 0.000 0.929 678 F CB 1.678 40.608 39.000 -0.116 0.000 1.254 678 F HN 0.668 nan 8.300 nan 0.000 0.455 679 G N 0.601 109.533 108.800 0.219 0.000 2.471 679 G HA2 0.471 4.431 3.960 -0.000 0.000 0.332 679 G HA3 0.471 4.431 3.960 -0.000 0.000 0.332 679 G C -2.063 173.061 174.900 0.374 0.000 1.176 679 G CA -0.672 44.609 45.100 0.301 0.000 0.949 679 G HN 1.072 nan 8.290 nan 0.000 0.488 680 H N -0.359 118.951 119.070 0.401 0.000 2.637 680 H HA 0.479 5.035 4.556 -0.000 0.000 0.363 680 H C -1.449 174.126 175.328 0.411 0.000 1.131 680 H CA -0.602 55.650 56.048 0.340 0.000 1.183 680 H CB 2.199 32.192 29.762 0.385 0.000 1.637 680 H HN 0.222 nan 8.280 nan 0.000 0.531 681 V N 4.853 124.513 119.914 -0.423 0.000 2.277 681 V HA 0.289 4.409 4.120 -0.000 0.000 0.269 681 V C 1.350 177.229 176.094 -0.358 0.000 1.036 681 V CA -0.350 61.838 62.300 -0.187 0.000 0.821 681 V CB 0.505 32.260 31.823 -0.113 0.000 1.052 681 V HN 0.886 nan 8.190 nan 0.000 0.462 682 G N 3.151 111.928 108.800 -0.038 0.000 2.690 682 G HA2 0.223 4.183 3.960 -0.000 0.000 0.239 682 G HA3 0.223 4.183 3.960 -0.000 0.000 0.239 682 G C 0.979 175.937 174.900 0.097 0.000 1.233 682 G CA 0.093 45.296 45.100 0.172 0.000 0.847 682 G HN 0.644 nan 8.290 nan 0.000 0.588 683 S N -0.620 115.150 115.700 0.117 0.000 2.406 683 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 683 S C 1.155 175.800 174.600 0.074 0.000 1.020 683 S CA 1.241 59.489 58.200 0.081 0.000 0.965 683 S CB 0.006 63.256 63.200 0.083 0.000 0.798 683 S HN 0.789 nan 8.310 nan 0.000 0.488 684 T N 0.183 114.787 114.554 0.084 0.000 2.916 684 T HA 0.334 4.684 4.350 -0.000 0.000 0.292 684 T C 1.002 175.747 174.700 0.076 0.000 1.055 684 T CA -0.670 61.473 62.100 0.071 0.000 1.009 684 T CB 1.475 70.379 68.868 0.059 0.000 1.118 684 T HN -0.125 nan 8.240 nan 0.000 0.497 685 T N 1.881 116.477 114.554 0.070 0.000 2.624 685 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 685 T C 2.370 177.095 174.700 0.041 0.000 1.041 685 T CA 1.940 64.079 62.100 0.066 0.000 1.159 685 T CB -0.732 68.168 68.868 0.055 0.000 0.863 685 T HN 0.763 nan 8.240 nan 0.000 0.434 686 A N 1.523 124.362 122.820 0.033 0.000 1.927 686 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 686 A C 2.221 179.818 177.584 0.021 0.000 1.185 686 A CA 2.298 54.346 52.037 0.019 0.000 0.639 686 A CB -0.662 18.351 19.000 0.022 0.000 0.820 686 A HN 0.638 nan 8.150 nan 0.000 0.451 687 S N -0.690 115.037 115.700 0.045 0.000 2.537 687 S HA 0.196 4.666 4.470 -0.000 0.000 0.246 687 S C 1.240 175.887 174.600 0.078 0.000 1.036 687 S CA 0.188 58.423 58.200 0.059 0.000 1.041 687 S CB -0.133 63.118 63.200 0.084 0.000 0.799 687 S HN 0.741 nan 8.310 nan 0.000 0.456 688 R N 0.701 121.229 120.500 0.047 0.000 2.120 688 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 688 R C 1.863 178.155 176.300 -0.013 0.000 1.123 688 R CA 1.620 57.751 56.100 0.053 0.000 0.975 688 R CB -1.044 29.281 30.300 0.043 0.000 0.866 688 R HN 0.405 nan 8.270 nan 0.000 0.446 689 G N 0.903 109.646 108.800 -0.094 0.000 2.603 689 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 689 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 689 G C 0.164 175.048 174.900 -0.026 0.000 1.140 689 G CA -0.313 44.648 45.100 -0.232 0.000 0.800 689 G HN 0.465 nan 8.290 nan 0.000 0.533 690 E N 0.825 121.062 120.200 0.061 0.000 2.383 690 E HA 0.185 4.534 4.350 -0.000 0.000 0.257 690 E C 0.296 176.989 176.600 0.155 0.000 1.079 690 E CA -0.370 56.086 56.400 0.093 0.000 0.934 690 E CB -0.291 29.463 29.700 0.090 0.000 0.978 690 E HN 0.210 nan 8.360 nan 0.000 0.462 691 L N 4.614 125.896 121.223 0.098 0.000 3.739 691 L HA -0.282 4.058 4.340 -0.000 0.000 0.442 691 L C 0.661 177.623 176.870 0.154 0.000 1.241 691 L CA 0.254 55.101 54.840 0.010 0.000 0.819 691 L CB -1.862 40.179 42.059 -0.029 0.000 1.679 691 L HN 0.624 nan 8.230 nan 0.000 0.889 692 F N -0.696 119.265 119.950 0.019 0.000 2.797 692 F HA 0.604 5.130 4.527 -0.000 0.000 0.302 692 F C 0.296 176.244 175.800 0.246 0.000 1.130 692 F CA -0.417 57.703 58.000 0.200 0.000 1.387 692 F CB 0.219 39.217 39.000 -0.004 0.000 1.107 692 F HN 0.074 nan 8.300 nan 0.000 0.577 693 L N 0.070 120.983 121.223 -0.517 0.000 2.672 693 L HA 0.608 4.947 4.340 -0.000 0.000 0.256 693 L C -2.281 174.233 176.870 -0.594 0.000 0.946 693 L CA -1.249 53.212 54.840 -0.632 0.000 0.889 693 L CB 1.451 42.643 42.059 -1.445 0.000 1.441 693 L HN -0.058 nan 8.230 nan 0.000 0.418 694 F N 2.027 121.532 119.950 -0.742 0.000 2.576 694 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 694 F C -1.262 174.101 175.800 -0.727 0.000 1.078 694 F CA -0.277 57.297 58.000 -0.709 0.000 0.921 694 F CB 2.100 40.379 39.000 -1.203 0.000 1.232 694 F HN 0.356 nan 8.300 nan 0.000 0.459 695 W N 1.729 122.809 121.300 -0.366 0.000 2.538 695 W HA 0.400 5.060 4.660 -0.000 0.000 0.322 695 W C -0.519 175.818 176.519 -0.304 0.000 1.028 695 W CA -1.065 56.101 57.345 -0.298 0.000 1.228 695 W CB 1.200 30.521 29.460 -0.231 0.000 1.356 695 W HN 0.327 nan 8.180 nan 0.000 0.452 696 N N 3.650 122.290 118.700 -0.099 0.000 2.462 696 N HA 0.324 5.064 4.740 -0.000 0.000 0.242 696 N C -0.380 175.128 175.510 -0.003 0.000 1.010 696 N CA 0.060 53.053 53.050 -0.095 0.000 0.939 696 N CB 0.677 39.145 38.487 -0.032 0.000 1.127 696 N HN 0.623 nan 8.380 nan 0.000 0.509 697 L N 2.219 123.370 121.223 -0.121 0.000 2.803 697 L HA 0.331 4.671 4.340 -0.000 0.000 0.246 697 L C -0.296 176.381 176.870 -0.321 0.000 1.100 697 L CA -0.123 54.517 54.840 -0.335 0.000 0.919 697 L CB 0.161 41.785 42.059 -0.726 0.000 1.285 697 L HN 0.468 nan 8.230 nan 0.000 0.522 698 Y N -0.841 119.542 120.300 0.138 0.000 2.631 698 Y HA 0.219 4.769 4.550 -0.000 0.000 0.328 698 Y C 1.199 177.186 175.900 0.144 0.000 1.118 698 Y CA -0.613 57.564 58.100 0.129 0.000 1.206 698 Y CB 1.390 39.923 38.460 0.122 0.000 1.337 698 Y HN -0.273 nan 8.280 nan 0.000 0.515 699 K N 0.758 121.354 120.400 0.327 0.000 2.062 699 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 699 K C 0.683 177.420 176.600 0.229 0.000 1.051 699 K CA 0.797 57.215 56.287 0.218 0.000 0.941 699 K CB -0.188 32.407 32.500 0.159 0.000 0.719 699 K HN 0.717 nan 8.250 nan 0.000 0.440 700 A N 1.782 124.762 122.820 0.267 0.000 2.310 700 A HA 0.189 4.509 4.320 -0.000 0.000 0.260 700 A C -2.212 175.581 177.584 0.349 0.000 1.112 700 A CA -0.978 51.239 52.037 0.300 0.000 0.804 700 A CB -0.316 18.917 19.000 0.389 0.000 1.081 700 A HN 0.192 nan 8.150 nan 0.000 0.499 701 P HA 0.269 nan 4.420 nan 0.000 0.241 701 P C -1.118 176.438 177.300 0.428 0.000 1.760 701 P CA 0.675 64.061 63.100 0.476 0.000 1.081 701 P CB -0.607 31.329 31.700 0.394 0.000 1.975 702 I N 2.266 123.049 120.570 0.355 0.000 2.465 702 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 702 I C 0.183 176.301 176.117 0.002 0.000 1.014 702 I CA -0.989 60.373 61.300 0.103 0.000 1.093 702 I CB 2.466 40.529 38.000 0.105 0.000 1.267 702 I HN -0.049 nan 8.210 nan 0.000 0.431 703 L N 6.263 127.365 121.223 -0.202 0.000 2.329 703 L HA 0.569 4.909 4.340 -0.000 0.000 0.279 703 L C -0.829 175.989 176.870 -0.088 0.000 1.014 703 L CA -0.763 53.917 54.840 -0.267 0.000 0.814 703 L CB 2.093 43.918 42.059 -0.390 0.000 1.257 703 L HN 0.452 nan 8.230 nan 0.000 0.424 704 L N 3.052 124.254 121.223 -0.035 0.000 2.287 704 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 704 L C -0.184 176.601 176.870 -0.142 0.000 1.022 704 L CA -0.439 54.376 54.840 -0.043 0.000 0.814 704 L CB 1.783 43.826 42.059 -0.028 0.000 1.217 704 L HN 0.671 nan 8.230 nan 0.000 0.420 705 A N 5.055 127.704 122.820 -0.285 0.000 2.273 705 A HA 0.609 4.929 4.320 -0.000 0.000 0.315 705 A C -0.831 176.564 177.584 -0.316 0.000 1.256 705 A CA -0.585 51.092 52.037 -0.600 0.000 0.851 705 A CB 0.825 19.346 19.000 -0.798 0.000 1.172 705 A HN 0.490 nan 8.150 nan 0.000 0.508 706 L N 2.378 123.453 121.223 -0.246 0.000 2.397 706 L HA 0.359 4.699 4.340 -0.000 0.000 0.271 706 L C 0.023 176.924 176.870 0.052 0.000 1.148 706 L CA 0.353 55.182 54.840 -0.019 0.000 0.825 706 L CB 1.426 43.542 42.059 0.095 0.000 1.117 706 L HN 0.417 nan 8.230 nan 0.000 0.456 707 V N 3.656 123.613 119.914 0.072 0.000 2.376 707 V HA 0.838 4.958 4.120 -0.000 0.000 0.287 707 V C 0.177 176.299 176.094 0.046 0.000 1.015 707 V CA -0.403 61.932 62.300 0.058 0.000 0.834 707 V CB 0.971 32.808 31.823 0.024 0.000 1.001 707 V HN 0.958 nan 8.190 nan 0.000 0.428 708 A N 3.637 126.436 122.820 -0.035 0.000 2.470 708 A HA 1.044 5.364 4.320 -0.000 0.000 0.271 708 A C 0.685 178.175 177.584 -0.157 0.000 1.269 708 A CA -0.058 51.927 52.037 -0.087 0.000 0.828 708 A CB 0.874 19.810 19.000 -0.107 0.000 1.374 708 A HN 1.974 nan 8.150 nan 0.000 0.454 709 G N -0.550 108.147 108.800 -0.173 0.000 2.578 709 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.284 709 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.284 709 G C 0.652 175.475 174.900 -0.128 0.000 1.283 709 G CA 0.655 45.650 45.100 -0.175 0.000 0.944 709 G HN 0.794 nan 8.290 nan 0.000 0.558 710 E N -0.063 120.069 120.200 -0.114 0.000 2.130 710 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 710 E C 3.036 179.601 176.600 -0.057 0.000 0.998 710 E CA 2.117 58.469 56.400 -0.080 0.000 0.806 710 E CB -0.847 28.813 29.700 -0.068 0.000 0.738 710 E HN 0.917 nan 8.360 nan 0.000 0.459 711 A N 1.462 124.249 122.820 -0.055 0.000 1.908 711 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 711 A C 2.470 180.039 177.584 -0.025 0.000 1.181 711 A CA 2.430 54.448 52.037 -0.031 0.000 0.627 711 A CB -0.713 18.273 19.000 -0.023 0.000 0.818 711 A HN 0.299 nan 8.150 nan 0.000 0.445 712 A N -0.506 122.294 122.820 -0.034 0.000 1.892 712 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 712 A C 2.485 180.063 177.584 -0.010 0.000 1.188 712 A CA 2.271 54.299 52.037 -0.015 0.000 0.631 712 A CB -1.562 17.425 19.000 -0.021 0.000 0.822 712 A HN 0.843 nan 8.150 nan 0.000 0.447 713 G N 0.107 108.895 108.800 -0.021 0.000 2.446 713 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 713 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 713 G C 1.495 176.388 174.900 -0.012 0.000 1.168 713 G CA 1.253 46.344 45.100 -0.015 0.000 0.771 713 G HN 0.556 nan 8.290 nan 0.000 0.551 714 I N 0.375 120.937 120.570 -0.013 0.000 2.439 714 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 714 I C 2.650 178.763 176.117 -0.007 0.000 1.139 714 I CA 0.597 61.891 61.300 -0.009 0.000 1.438 714 I CB -0.275 37.721 38.000 -0.007 0.000 1.085 714 I HN 0.068 nan 8.210 nan 0.000 0.427 715 M N 0.504 120.101 119.600 -0.006 0.000 2.296 715 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 715 M C 1.995 178.287 176.300 -0.013 0.000 1.064 715 M CA 1.444 56.740 55.300 -0.006 0.000 1.109 715 M CB -1.017 31.581 32.600 -0.004 0.000 1.396 715 M HN 0.304 nan 8.290 nan 0.000 0.430 716 E N 0.008 120.199 120.200 -0.014 0.000 2.333 716 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 716 E C 0.764 177.348 176.600 -0.027 0.000 1.007 716 E CA 0.584 56.969 56.400 -0.024 0.000 0.845 716 E CB -0.196 29.492 29.700 -0.020 0.000 0.766 716 E HN 0.424 nan 8.360 nan 0.000 0.507 717 N N 0.249 118.938 118.700 -0.019 0.000 2.322 717 N HA 0.183 4.923 4.740 -0.000 0.000 0.216 717 N C -0.749 174.752 175.510 -0.015 0.000 1.144 717 N CA 0.251 53.291 53.050 -0.018 0.000 0.830 717 N CB 0.392 38.871 38.487 -0.013 0.000 1.034 717 N HN 0.054 nan 8.380 nan 0.000 0.484 718 I N 0.056 120.617 120.570 -0.016 0.000 2.533 718 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 718 I C -0.023 176.084 176.117 -0.017 0.000 1.056 718 I CA -0.895 60.398 61.300 -0.012 0.000 1.057 718 I CB 1.890 39.887 38.000 -0.006 0.000 1.240 718 I HN -0.032 nan 8.210 nan 0.000 0.423 719 S N 3.152 118.844 115.700 -0.013 0.000 2.563 719 S HA 0.003 4.473 4.470 -0.000 0.000 0.284 719 S C 0.693 175.282 174.600 -0.017 0.000 1.331 719 S CA -0.250 57.940 58.200 -0.016 0.000 1.047 719 S CB 0.882 64.076 63.200 -0.010 0.000 0.859 719 S HN 0.602 nan 8.310 nan 0.000 0.514 720 D N 1.803 122.188 120.400 -0.026 0.000 2.126 720 D HA -0.142 4.498 4.640 -0.000 0.000 0.190 720 D C 1.550 177.841 176.300 -0.015 0.000 1.001 720 D CA 1.919 55.900 54.000 -0.031 0.000 0.841 720 D CB -0.408 40.367 40.800 -0.042 0.000 0.949 720 D HN 0.718 nan 8.370 nan 0.000 0.446 721 D N 0.273 120.669 120.400 -0.006 0.000 2.137 721 D HA -0.152 4.488 4.640 -0.000 0.000 0.189 721 D C 2.378 178.688 176.300 0.016 0.000 0.998 721 D CA 1.189 55.194 54.000 0.008 0.000 0.839 721 D CB -0.610 40.196 40.800 0.011 0.000 0.962 721 D HN 0.078 nan 8.370 nan 0.000 0.446 722 V N 1.682 121.604 119.914 0.013 0.000 2.277 722 V HA -0.301 3.818 4.120 -0.000 0.000 0.255 722 V C 2.614 178.721 176.094 0.022 0.000 1.074 722 V CA 1.657 63.967 62.300 0.018 0.000 1.058 722 V CB -0.604 31.227 31.823 0.012 0.000 0.656 722 V HN 0.197 nan 8.190 nan 0.000 0.449 723 I N -0.343 120.235 120.570 0.013 0.000 2.142 723 I HA -0.201 3.968 4.170 -0.000 0.000 0.240 723 I C 2.303 178.437 176.117 0.029 0.000 1.078 723 I CA 1.580 62.888 61.300 0.013 0.000 1.343 723 I CB -0.365 37.632 38.000 -0.006 0.000 1.046 723 I HN 0.187 nan 8.210 nan 0.000 0.405 724 V N 0.971 120.901 119.914 0.027 0.000 2.469 724 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 724 V C 2.504 178.647 176.094 0.082 0.000 1.064 724 V CA 1.889 64.221 62.300 0.054 0.000 1.066 724 V CB -1.984 29.862 31.823 0.039 0.000 0.667 724 V HN 0.593 nan 8.190 nan 0.000 0.461 725 G N 0.709 109.546 108.800 0.062 0.000 2.587 725 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.217 725 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.217 725 G C 1.651 176.595 174.900 0.074 0.000 1.240 725 G CA 1.074 46.212 45.100 0.064 0.000 0.794 725 G HN 0.457 nan 8.290 nan 0.000 0.580 726 R N -0.785 119.752 120.500 0.063 0.000 2.185 726 R HA -0.111 4.229 4.340 -0.000 0.000 0.247 726 R C 2.586 178.940 176.300 0.090 0.000 1.159 726 R CA 1.053 57.191 56.100 0.064 0.000 0.988 726 R CB -0.754 29.575 30.300 0.048 0.000 0.871 726 R HN 0.403 nan 8.270 nan 0.000 0.458 727 C N 0.476 119.849 119.300 0.122 0.000 2.508 727 C HA -0.018 4.442 4.460 -0.000 0.000 0.280 727 C C 2.583 177.715 174.990 0.237 0.000 1.262 727 C CA 0.516 59.659 59.018 0.209 0.000 1.706 727 C CB -0.819 27.044 27.740 0.205 0.000 2.078 727 C HN 0.409 nan 8.230 nan 0.000 0.480 728 L N 1.384 122.729 121.223 0.203 0.000 1.989 728 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 728 L C 2.886 179.827 176.870 0.119 0.000 1.071 728 L CA 1.798 56.746 54.840 0.180 0.000 0.749 728 L CB -1.293 40.853 42.059 0.146 0.000 0.890 728 L HN 0.377 nan 8.230 nan 0.000 0.431 729 A N 1.032 123.909 122.820 0.095 0.000 1.883 729 A HA -0.314 4.006 4.320 -0.000 0.000 0.222 729 A C 2.245 179.874 177.584 0.075 0.000 1.339 729 A CA 2.687 54.767 52.037 0.072 0.000 0.692 729 A CB -1.172 17.869 19.000 0.067 0.000 0.845 729 A HN 0.415 nan 8.150 nan 0.000 0.467 730 I N -0.612 120.005 120.570 0.079 0.000 2.151 730 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 730 I C 2.535 178.686 176.117 0.056 0.000 1.080 730 I CA 1.704 63.041 61.300 0.061 0.000 1.339 730 I CB -0.560 37.429 38.000 -0.019 0.000 1.039 730 I HN 0.351 nan 8.210 nan 0.000 0.409 731 L N 0.480 121.756 121.223 0.088 0.000 2.083 731 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 731 L C 2.631 179.597 176.870 0.161 0.000 1.083 731 L CA 1.520 56.454 54.840 0.156 0.000 0.752 731 L CB -0.526 41.709 42.059 0.293 0.000 0.899 731 L HN 0.223 nan 8.230 nan 0.000 0.433 732 K N 0.026 120.468 120.400 0.070 0.000 1.991 732 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 732 K C 2.163 178.774 176.600 0.019 0.000 1.049 732 K CA 1.407 57.703 56.287 0.016 0.000 0.932 732 K CB -0.801 31.697 32.500 -0.003 0.000 0.717 732 K HN 0.366 nan 8.250 nan 0.000 0.441 733 G N 1.503 110.318 108.800 0.025 0.000 2.545 733 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.222 733 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.222 733 G C 1.398 176.287 174.900 -0.019 0.000 1.126 733 G CA 1.348 46.461 45.100 0.021 0.000 0.754 733 G HN 0.133 nan 8.290 nan 0.000 0.583 734 I N -1.611 118.907 120.570 -0.086 0.000 2.703 734 I HA 0.274 4.444 4.170 -0.000 0.000 0.259 734 I C 1.266 177.105 176.117 -0.463 0.000 1.151 734 I CA 0.456 61.566 61.300 -0.316 0.000 1.470 734 I CB 0.082 37.660 38.000 -0.703 0.000 1.112 734 I HN 0.107 nan 8.210 nan 0.000 0.437 735 F N 0.114 120.023 119.950 -0.068 0.000 2.798 735 F HA 0.560 5.087 4.527 -0.000 0.000 0.328 735 F C 0.910 176.655 175.800 -0.092 0.000 1.098 735 F CA -0.106 57.858 58.000 -0.060 0.000 1.172 735 F CB 0.375 39.371 39.000 -0.007 0.000 1.072 735 F HN -0.053 nan 8.300 nan 0.000 0.555 736 G N 0.428 109.258 108.800 0.050 0.000 3.055 736 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.686 736 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.686 736 G C 0.437 175.306 174.900 -0.050 0.000 1.087 736 G CA -0.274 44.823 45.100 -0.005 0.000 0.779 736 G HN 0.021 nan 8.290 nan 0.000 0.599 737 S N 0.043 115.716 115.700 -0.046 0.000 2.711 737 S HA 0.237 4.707 4.470 -0.000 0.000 0.237 737 S C 1.745 176.294 174.600 -0.084 0.000 0.971 737 S CA 1.649 59.815 58.200 -0.056 0.000 0.964 737 S CB -0.427 62.755 63.200 -0.031 0.000 0.775 737 S HN 2.045 nan 8.310 nan 0.000 0.540 738 S N -2.045 113.585 115.700 -0.117 0.000 2.857 738 S HA 0.343 4.813 4.470 -0.000 0.000 0.238 738 S C 0.903 175.393 174.600 -0.182 0.000 0.875 738 S CA 0.099 58.221 58.200 -0.131 0.000 1.368 738 S CB -0.293 62.858 63.200 -0.081 0.000 1.238 738 S HN 0.331 nan 8.310 nan 0.000 0.635 739 A N 1.170 123.842 122.820 -0.247 0.000 2.169 739 A HA 0.541 4.861 4.320 -0.000 0.000 0.212 739 A C 0.687 177.811 177.584 -0.766 0.000 1.153 739 A CA 0.608 52.423 52.037 -0.369 0.000 0.756 739 A CB -0.113 18.720 19.000 -0.279 0.000 0.813 739 A HN 0.555 nan 8.150 nan 0.000 0.471 740 V N 3.013 122.479 119.914 -0.746 0.000 2.277 740 V HA 0.262 4.382 4.120 -0.000 0.000 0.269 740 V C -2.072 173.741 176.094 -0.468 0.000 1.036 740 V CA -1.668 60.058 62.300 -0.956 0.000 0.821 740 V CB 0.613 32.050 31.823 -0.644 0.000 1.052 740 V HN 0.319 nan 8.190 nan 0.000 0.462 741 P HA 0.210 nan 4.420 nan 0.000 0.286 741 P C -0.427 176.880 177.300 0.012 0.000 1.293 741 P CA -0.559 62.466 63.100 -0.125 0.000 0.770 741 P CB 0.663 32.347 31.700 -0.025 0.000 1.206 742 Q N 0.672 120.538 119.800 0.109 0.000 2.337 742 Q HA 0.198 4.538 4.340 -0.000 0.000 0.270 742 Q C -1.897 174.332 176.000 0.382 0.000 1.002 742 Q CA -1.455 54.469 55.803 0.203 0.000 0.888 742 Q CB -0.437 28.383 28.738 0.138 0.000 1.222 742 Q HN 0.335 nan 8.270 nan 0.000 0.400 743 P HA 0.063 nan 4.420 nan 0.000 0.271 743 P C 0.187 177.593 177.300 0.177 0.000 1.220 743 P CA -0.205 63.103 63.100 0.346 0.000 0.768 743 P CB 0.903 32.661 31.700 0.096 0.000 0.848 744 K N 1.523 122.027 120.400 0.174 0.000 2.057 744 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 744 K C 0.623 177.308 176.600 0.140 0.000 1.050 744 K CA 1.424 57.823 56.287 0.186 0.000 0.935 744 K CB 0.220 32.895 32.500 0.292 0.000 0.715 744 K HN 0.560 nan 8.250 nan 0.000 0.439 745 E N 0.640 120.872 120.200 0.054 0.000 2.290 745 E HA 0.187 4.536 4.350 -0.000 0.000 0.274 745 E C -0.959 175.559 176.600 -0.136 0.000 0.889 745 E CA -0.291 56.132 56.400 0.040 0.000 0.760 745 E CB 2.304 32.153 29.700 0.248 0.000 1.206 745 E HN 0.119 nan 8.360 nan 0.000 0.419 746 T N -1.193 113.278 114.554 -0.138 0.000 2.928 746 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 746 T C -0.335 174.205 174.700 -0.266 0.000 1.000 746 T CA -0.644 61.332 62.100 -0.207 0.000 0.989 746 T CB 1.073 69.866 68.868 -0.124 0.000 1.005 746 T HN 0.069 nan 8.240 nan 0.000 0.442 747 V N 2.766 122.458 119.914 -0.370 0.000 2.715 747 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 747 V C -0.528 175.415 176.094 -0.252 0.000 1.054 747 V CA -0.899 61.172 62.300 -0.382 0.000 0.928 747 V CB 2.102 33.540 31.823 -0.641 0.000 1.007 747 V HN 0.913 nan 8.190 nan 0.000 0.437 748 V N 2.160 121.951 119.914 -0.205 0.000 2.524 748 V HA 0.406 4.526 4.120 -0.000 0.000 0.297 748 V C 0.173 176.162 176.094 -0.176 0.000 1.035 748 V CA -0.556 61.652 62.300 -0.154 0.000 0.867 748 V CB 1.844 33.597 31.823 -0.117 0.000 1.004 748 V HN 1.031 nan 8.190 nan 0.000 0.426 749 S N 5.016 120.614 115.700 -0.170 0.000 2.572 749 S HA 0.526 4.996 4.470 -0.000 0.000 0.279 749 S C 0.019 174.458 174.600 -0.268 0.000 1.341 749 S CA -0.379 57.634 58.200 -0.311 0.000 1.043 749 S CB 0.679 63.741 63.200 -0.230 0.000 0.887 749 S HN 0.733 nan 8.310 nan 0.000 0.516 750 R N 2.058 122.316 120.500 -0.404 0.000 2.734 750 R HA 0.210 4.550 4.340 -0.000 0.000 0.268 750 R C -0.513 175.665 176.300 -0.205 0.000 1.785 750 R CA -0.264 55.708 56.100 -0.213 0.000 1.461 750 R CB 0.260 30.466 30.300 -0.156 0.000 1.308 750 R HN 0.873 nan 8.270 nan 0.000 0.586 751 W N 0.373 121.665 121.300 -0.012 0.000 2.409 751 W HA -0.038 4.621 4.660 -0.000 0.000 0.299 751 W C 2.225 178.747 176.519 0.005 0.000 1.203 751 W CA 0.358 57.707 57.345 0.006 0.000 1.298 751 W CB 0.134 29.599 29.460 0.008 0.000 1.127 751 W HN 0.313 nan 8.180 nan 0.000 0.528 752 R N 1.174 121.800 120.500 0.210 0.000 2.120 752 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 752 R C 2.022 178.360 176.300 0.065 0.000 1.123 752 R CA 1.801 57.974 56.100 0.122 0.000 0.975 752 R CB -0.856 29.483 30.300 0.064 0.000 0.866 752 R HN 0.096 nan 8.270 nan 0.000 0.446 753 A N 0.231 123.062 122.820 0.018 0.000 1.855 753 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 753 A C 0.667 178.201 177.584 -0.084 0.000 1.191 753 A CA 0.983 52.993 52.037 -0.046 0.000 0.613 753 A CB -0.740 18.213 19.000 -0.077 0.000 0.829 753 A HN 0.427 nan 8.150 nan 0.000 0.442 754 D N 0.472 120.824 120.400 -0.080 0.000 2.502 754 D HA 0.028 4.668 4.640 -0.000 0.000 0.249 754 D C -1.342 174.848 176.300 -0.184 0.000 1.188 754 D CA -1.421 52.498 54.000 -0.135 0.000 0.890 754 D CB 0.812 41.579 40.800 -0.055 0.000 1.140 754 D HN 0.152 nan 8.370 nan 0.000 0.505 755 P HA -0.104 nan 4.420 nan 0.000 0.225 755 P C 0.439 177.388 177.300 -0.584 0.000 1.148 755 P CA 1.037 63.724 63.100 -0.688 0.000 0.779 755 P CB -0.102 30.877 31.700 -1.203 0.000 0.780 756 W N -1.078 120.270 121.300 0.081 0.000 3.223 756 W HA 0.573 5.233 4.660 -0.000 0.000 0.389 756 W C 1.500 178.107 176.519 0.146 0.000 1.118 756 W CA -0.178 57.220 57.345 0.088 0.000 1.902 756 W CB 0.189 29.695 29.460 0.077 0.000 1.094 756 W HN -0.030 nan 8.180 nan 0.000 0.666 757 A N -0.064 122.938 122.820 0.305 0.000 1.786 757 A HA 0.249 4.569 4.320 -0.000 0.000 0.208 757 A C 1.526 179.308 177.584 0.329 0.000 1.787 757 A CA -0.153 52.104 52.037 0.368 0.000 1.125 757 A CB 0.228 19.563 19.000 0.558 0.000 1.082 757 A HN 0.005 nan 8.150 nan 0.000 0.534 758 R N -0.314 120.341 120.500 0.257 0.000 3.770 758 R HA -0.152 4.188 4.340 -0.000 0.000 0.305 758 R C 0.519 177.069 176.300 0.417 0.000 1.184 758 R CA 1.216 57.455 56.100 0.231 0.000 0.823 758 R CB -2.362 28.014 30.300 0.127 0.000 1.285 758 R HN 2.040 nan 8.270 nan 0.000 0.499 759 G N -2.457 106.598 108.800 0.424 0.000 2.357 759 G HA2 0.018 3.978 3.960 -0.000 0.000 0.289 759 G HA3 0.018 3.978 3.960 -0.000 0.000 0.289 759 G C 0.330 175.166 174.900 -0.106 0.000 1.302 759 G CA 0.305 45.479 45.100 0.123 0.000 0.936 759 G HN 0.295 nan 8.290 nan 0.000 0.513 760 S N -1.257 114.088 115.700 -0.593 0.000 2.444 760 S HA 0.614 5.084 4.470 -0.000 0.000 0.223 760 S C 0.578 174.962 174.600 -0.359 0.000 1.054 760 S CA 1.743 59.619 58.200 -0.540 0.000 0.947 760 S CB -0.016 62.830 63.200 -0.590 0.000 0.850 760 S HN 2.158 nan 8.310 nan 0.000 0.527 761 Y N 0.130 120.045 120.300 -0.642 0.000 2.732 761 Y HA 0.653 5.203 4.550 -0.000 0.000 0.342 761 Y C -0.411 175.399 175.900 -0.150 0.000 1.203 761 Y CA -1.213 56.763 58.100 -0.206 0.000 1.092 761 Y CB 0.246 38.656 38.460 -0.084 0.000 1.345 761 Y HN 0.217 nan 8.280 nan 0.000 0.458 762 S N 0.920 116.869 115.700 0.414 0.000 2.634 762 S HA 0.738 5.208 4.470 -0.000 0.000 0.261 762 S C -0.908 173.898 174.600 0.344 0.000 1.271 762 S CA 0.283 58.695 58.200 0.354 0.000 0.985 762 S CB 0.883 64.338 63.200 0.425 0.000 0.968 762 S HN 1.426 nan 8.310 nan 0.000 0.568 763 Y N -2.686 117.749 120.300 0.225 0.000 2.624 763 Y HA 0.605 5.154 4.550 -0.000 0.000 0.334 763 Y C -1.473 174.563 175.900 0.228 0.000 1.155 763 Y CA -1.691 56.536 58.100 0.211 0.000 1.046 763 Y CB 0.463 38.983 38.460 0.100 0.000 1.316 763 Y HN 0.427 nan 8.280 nan 0.000 0.457 764 V N 2.955 123.174 119.914 0.508 0.000 2.370 764 V HA 0.615 4.735 4.120 -0.000 0.000 0.257 764 V C 0.791 177.140 176.094 0.425 0.000 1.064 764 V CA -0.010 62.511 62.300 0.369 0.000 0.975 764 V CB -0.567 31.480 31.823 0.373 0.000 1.067 764 V HN 0.981 nan 8.190 nan 0.000 0.485 765 A N 4.524 127.471 122.820 0.212 0.000 2.332 765 A HA 0.733 5.052 4.320 -0.000 0.000 0.258 765 A C 0.924 178.635 177.584 0.212 0.000 1.087 765 A CA 0.062 52.295 52.037 0.328 0.000 0.802 765 A CB 0.357 19.423 19.000 0.109 0.000 1.042 765 A HN 1.353 nan 8.150 nan 0.000 0.489 766 A N 0.132 123.066 122.820 0.190 0.000 2.566 766 A HA 0.451 4.771 4.320 -0.000 0.000 0.245 766 A C 1.592 179.222 177.584 0.078 0.000 1.056 766 A CA 0.966 53.073 52.037 0.118 0.000 0.757 766 A CB -1.038 18.003 19.000 0.070 0.000 0.979 766 A HN 2.753 nan 8.150 nan 0.000 0.508 767 G N 1.267 110.113 108.800 0.076 0.000 2.175 767 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 767 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 767 G C 0.639 175.550 174.900 0.018 0.000 0.982 767 G CA 0.695 45.819 45.100 0.040 0.000 0.641 767 G HN 1.407 nan 8.290 nan 0.000 0.527 768 S N -0.748 114.967 115.700 0.024 0.000 2.718 768 S HA 0.918 5.387 4.470 -0.000 0.000 0.292 768 S C 0.518 175.075 174.600 -0.072 0.000 1.125 768 S CA 0.953 59.132 58.200 -0.035 0.000 1.013 768 S CB 1.549 64.712 63.200 -0.063 0.000 1.192 768 S HN 1.845 nan 8.310 nan 0.000 0.535 769 S N -1.021 114.595 115.700 -0.139 0.000 2.727 769 S HA 0.548 5.018 4.470 -0.000 0.000 0.278 769 S C 0.883 175.445 174.600 -0.063 0.000 1.186 769 S CA -0.163 57.847 58.200 -0.317 0.000 0.836 769 S CB 0.619 63.517 63.200 -0.503 0.000 1.186 769 S HN 0.865 nan 8.310 nan 0.000 0.499 770 G N 0.968 109.729 108.800 -0.066 0.000 2.443 770 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 770 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 770 G C 1.162 176.151 174.900 0.148 0.000 1.131 770 G CA 0.773 45.956 45.100 0.138 0.000 0.775 770 G HN 0.780 nan 8.290 nan 0.000 0.547 771 N N 0.991 119.699 118.700 0.013 0.000 2.309 771 N HA -0.102 4.637 4.740 -0.000 0.000 0.182 771 N C 1.269 176.782 175.510 0.006 0.000 1.018 771 N CA 1.066 54.121 53.050 0.007 0.000 0.876 771 N CB -0.166 38.303 38.487 -0.030 0.000 0.972 771 N HN 0.082 nan 8.380 nan 0.000 0.434 772 D N -0.111 120.264 120.400 -0.041 0.000 2.218 772 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 772 D C 1.387 177.597 176.300 -0.150 0.000 0.976 772 D CA 0.825 54.753 54.000 -0.120 0.000 0.853 772 D CB -0.330 40.340 40.800 -0.217 0.000 0.939 772 D HN 0.398 nan 8.370 nan 0.000 0.481 773 Y N 1.253 121.537 120.300 -0.027 0.000 2.181 773 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 773 Y C 2.162 178.054 175.900 -0.013 0.000 1.146 773 Y CA 1.046 59.137 58.100 -0.015 0.000 1.164 773 Y CB -0.216 38.230 38.460 -0.023 0.000 0.982 773 Y HN -0.068 nan 8.280 nan 0.000 0.515 774 D N 0.125 120.607 120.400 0.136 0.000 2.087 774 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 774 D C 2.375 178.708 176.300 0.055 0.000 0.993 774 D CA 1.298 55.340 54.000 0.069 0.000 0.828 774 D CB -0.771 40.048 40.800 0.032 0.000 0.968 774 D HN 0.235 nan 8.370 nan 0.000 0.448 775 L N 0.236 121.482 121.223 0.040 0.000 2.054 775 L HA -0.282 4.058 4.340 -0.000 0.000 0.220 775 L C 2.546 179.493 176.870 0.128 0.000 1.081 775 L CA 1.169 56.073 54.840 0.106 0.000 0.780 775 L CB -0.498 41.626 42.059 0.109 0.000 0.893 775 L HN 0.128 nan 8.230 nan 0.000 0.438 776 M N -0.955 118.651 119.600 0.010 0.000 2.149 776 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 776 M C 2.400 178.684 176.300 -0.027 0.000 1.064 776 M CA 2.047 57.297 55.300 -0.084 0.000 1.102 776 M CB -1.415 31.174 32.600 -0.018 0.000 1.369 776 M HN 0.356 nan 8.290 nan 0.000 0.408 777 A N -1.033 121.839 122.820 0.086 0.000 2.072 777 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 777 A C 1.187 178.916 177.584 0.242 0.000 1.156 777 A CA 0.153 52.287 52.037 0.162 0.000 0.701 777 A CB -0.381 18.689 19.000 0.115 0.000 0.816 777 A HN 0.391 nan 8.150 nan 0.000 0.458 778 Q N 1.443 121.374 119.800 0.218 0.000 2.239 778 Q HA 0.144 4.484 4.340 -0.000 0.000 0.286 778 Q C -2.221 173.990 176.000 0.352 0.000 1.102 778 Q CA -1.740 54.203 55.803 0.234 0.000 0.936 778 Q CB 0.379 29.210 28.738 0.155 0.000 1.127 778 Q HN 0.382 nan 8.270 nan 0.000 0.380 779 P HA 0.073 nan 4.420 nan 0.000 0.273 779 P C -0.633 176.659 177.300 -0.014 0.000 1.250 779 P CA -0.119 62.962 63.100 -0.032 0.000 0.793 779 P CB 0.779 32.267 31.700 -0.352 0.000 1.011 780 I N 0.405 120.834 120.570 -0.235 0.000 2.378 780 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 780 I C 0.415 176.429 176.117 -0.171 0.000 0.992 780 I CA -0.338 60.876 61.300 -0.144 0.000 1.154 780 I CB 0.881 38.721 38.000 -0.267 0.000 1.315 780 I HN 0.155 nan 8.210 nan 0.000 0.448 781 T N 7.544 122.092 114.554 -0.010 0.000 2.758 781 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 781 T C -2.051 172.720 174.700 0.118 0.000 0.981 781 T CA -1.016 61.101 62.100 0.027 0.000 0.965 781 T CB 1.344 70.230 68.868 0.029 0.000 0.927 781 T HN 0.447 nan 8.240 nan 0.000 0.448 782 P HA 0.201 nan 4.420 nan 0.000 0.271 782 P C 0.685 178.047 177.300 0.103 0.000 1.244 782 P CA -0.326 62.895 63.100 0.201 0.000 0.793 782 P CB 0.424 32.243 31.700 0.198 0.000 0.984 783 G N 0.824 109.663 108.800 0.066 0.000 2.631 783 G HA2 0.368 4.328 3.960 -0.000 0.000 0.271 783 G HA3 0.368 4.328 3.960 -0.000 0.000 0.271 783 G C -2.323 172.597 174.900 0.033 0.000 1.302 783 G CA -0.727 44.398 45.100 0.041 0.000 1.002 783 G HN 0.458 nan 8.290 nan 0.000 0.519 784 P HA 0.362 nan 4.420 nan 0.000 0.285 784 P C 0.421 177.728 177.300 0.013 0.000 1.269 784 P CA -0.527 62.585 63.100 0.021 0.000 0.844 784 P CB 2.209 33.919 31.700 0.017 0.000 1.094 785 S N 0.579 116.286 115.700 0.013 0.000 2.365 785 S HA 0.019 4.489 4.470 -0.000 0.000 0.194 785 S C 0.829 175.432 174.600 0.005 0.000 1.093 785 S CA 0.574 58.778 58.200 0.007 0.000 1.224 785 S CB -0.901 62.305 63.200 0.009 0.000 0.961 785 S HN 0.462 nan 8.310 nan 0.000 0.412 786 I N 3.538 124.112 120.570 0.006 0.000 2.742 786 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 786 I C -2.451 173.669 176.117 0.006 0.000 1.186 786 I CA -1.191 60.112 61.300 0.005 0.000 1.417 786 I CB -0.683 37.321 38.000 0.006 0.000 1.377 786 I HN 0.110 nan 8.210 nan 0.000 0.556 787 P HA 0.221 nan 4.420 nan 0.000 0.274 787 P C 0.778 178.080 177.300 0.005 0.000 1.231 787 P CA -0.054 63.049 63.100 0.005 0.000 0.790 787 P CB 0.837 32.538 31.700 0.003 0.000 0.951 788 G N 0.387 109.190 108.800 0.005 0.000 2.225 788 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.267 788 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.267 788 G C 0.341 175.244 174.900 0.005 0.000 1.024 788 G CA 0.113 45.215 45.100 0.004 0.000 0.784 788 G HN 0.829 nan 8.290 nan 0.000 0.507 789 A N 0.106 122.930 122.820 0.007 0.000 2.269 789 A HA 0.905 5.224 4.320 -0.000 0.000 0.319 789 A C -0.938 176.650 177.584 0.008 0.000 1.110 789 A CA -0.944 51.097 52.037 0.008 0.000 0.847 789 A CB 0.733 19.739 19.000 0.010 0.000 1.161 789 A HN 0.366 nan 8.150 nan 0.000 0.497 790 P HA 0.077 nan 4.420 nan 0.000 0.268 790 P C -0.555 176.750 177.300 0.009 0.000 1.208 790 P CA -0.133 62.971 63.100 0.006 0.000 0.777 790 P CB 0.314 32.016 31.700 0.004 0.000 0.875 791 Q N 3.212 123.017 119.800 0.007 0.000 2.262 791 Q HA 0.085 4.424 4.340 -0.000 0.000 0.298 791 Q C -1.866 174.141 176.000 0.012 0.000 1.083 791 Q CA -0.855 54.954 55.803 0.010 0.000 0.962 791 Q CB -0.319 28.421 28.738 0.004 0.000 1.104 791 Q HN 0.287 nan 8.270 nan 0.000 0.376 792 P HA 0.119 nan 4.420 nan 0.000 0.274 792 P C -0.703 176.607 177.300 0.018 0.000 1.231 792 P CA -0.471 62.648 63.100 0.031 0.000 0.790 792 P CB 0.361 32.094 31.700 0.055 0.000 0.951 793 I N 1.509 122.082 120.570 0.006 0.000 3.276 793 I HA -0.161 4.009 4.170 -0.000 0.000 0.341 793 I C -2.033 174.102 176.117 0.030 0.000 1.151 793 I CA 0.131 61.426 61.300 -0.009 0.000 1.496 793 I CB -1.387 36.614 38.000 0.002 0.000 1.264 793 I HN 0.328 nan 8.210 nan 0.000 0.525 794 P HA 0.334 nan 4.420 nan 0.000 0.288 794 P C -0.118 177.154 177.300 -0.045 0.000 1.267 794 P CA -0.536 62.524 63.100 -0.067 0.000 0.815 794 P CB 1.168 32.770 31.700 -0.165 0.000 0.989 795 R N 1.307 121.733 120.500 -0.124 0.000 2.250 795 R HA 0.264 4.604 4.340 -0.000 0.000 0.194 795 R C -0.056 176.128 176.300 -0.195 0.000 0.927 795 R CA 0.080 56.192 56.100 0.021 0.000 1.052 795 R CB -0.094 30.292 30.300 0.144 0.000 1.055 795 R HN 0.339 nan 8.270 nan 0.000 0.537 796 L N 1.191 122.052 121.223 -0.603 0.000 2.325 796 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 796 L C -1.326 175.005 176.870 -0.899 0.000 1.004 796 L CA -0.617 53.833 54.840 -0.650 0.000 0.823 796 L CB 0.948 42.487 42.059 -0.868 0.000 1.236 796 L HN -0.201 nan 8.230 nan 0.000 0.415 797 F N 4.472 124.121 119.950 -0.500 0.000 2.538 797 F HA 0.665 5.192 4.527 -0.000 0.000 0.325 797 F C -0.629 174.814 175.800 -0.594 0.000 1.066 797 F CA -0.429 57.325 58.000 -0.410 0.000 0.946 797 F CB 1.758 40.674 39.000 -0.139 0.000 1.199 797 F HN 0.200 nan 8.300 nan 0.000 0.473 798 F N 1.189 121.243 119.950 0.173 0.000 2.540 798 F HA 0.800 5.327 4.527 -0.000 0.000 0.317 798 F C -0.023 175.806 175.800 0.048 0.000 1.104 798 F CA -0.813 57.241 58.000 0.089 0.000 0.913 798 F CB 1.849 40.882 39.000 0.056 0.000 1.170 798 F HN 0.585 nan 8.300 nan 0.000 0.450 799 A N 1.560 124.486 122.820 0.177 0.000 2.569 799 A HA 0.996 5.316 4.320 -0.000 0.000 0.290 799 A C -0.406 177.127 177.584 -0.085 0.000 1.136 799 A CA -0.466 51.587 52.037 0.027 0.000 0.710 799 A CB 1.810 20.816 19.000 0.010 0.000 1.303 799 A HN 1.662 nan 8.150 nan 0.000 0.413 800 G N -0.234 108.465 108.800 -0.168 0.000 2.535 800 G HA2 0.346 4.306 3.960 -0.000 0.000 0.662 800 G HA3 0.346 4.306 3.960 -0.000 0.000 0.662 800 G C 0.348 175.068 174.900 -0.300 0.000 1.417 800 G CA 0.512 45.480 45.100 -0.220 0.000 0.866 800 G HN 1.313 nan 8.290 nan 0.000 0.647 801 E N 0.644 120.779 120.200 -0.109 0.000 2.330 801 E HA -0.407 3.943 4.350 -0.000 0.000 0.239 801 E C 1.824 178.450 176.600 0.043 0.000 1.097 801 E CA 2.779 59.169 56.400 -0.017 0.000 1.031 801 E CB -0.515 29.233 29.700 0.080 0.000 0.885 801 E HN 1.014 nan 8.360 nan 0.000 0.479 802 H N -0.526 118.637 119.070 0.156 0.000 2.567 802 H HA 0.024 4.579 4.556 -0.000 0.000 0.276 802 H C 1.505 176.993 175.328 0.267 0.000 1.016 802 H CA 1.544 57.729 56.048 0.228 0.000 1.186 802 H CB -0.573 29.228 29.762 0.066 0.000 1.351 802 H HN 0.322 nan 8.280 nan 0.000 0.605 803 T N -1.687 112.795 114.554 -0.119 0.000 3.040 803 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 803 T C 0.821 175.567 174.700 0.075 0.000 1.058 803 T CA -0.345 61.748 62.100 -0.012 0.000 0.988 803 T CB 0.027 68.831 68.868 -0.107 0.000 0.993 803 T HN 0.277 nan 8.240 nan 0.000 0.519 804 I N 2.241 122.836 120.570 0.043 0.000 2.428 804 I HA 0.420 4.590 4.170 -0.000 0.000 0.279 804 I C 1.451 177.471 176.117 -0.160 0.000 1.040 804 I CA -1.250 60.031 61.300 -0.032 0.000 1.171 804 I CB 0.813 38.790 38.000 -0.038 0.000 1.312 804 I HN -0.014 nan 8.210 nan 0.000 0.470 805 R N 3.973 124.388 120.500 -0.140 0.000 2.165 805 R HA -0.231 4.109 4.340 -0.000 0.000 0.254 805 R C 0.845 176.889 176.300 -0.427 0.000 1.153 805 R CA 2.273 58.205 56.100 -0.280 0.000 0.971 805 R CB 0.077 30.302 30.300 -0.126 0.000 0.878 805 R HN 0.624 nan 8.270 nan 0.000 0.449 806 N N -1.508 116.966 118.700 -0.377 0.000 2.325 806 N HA 0.014 4.754 4.740 -0.000 0.000 0.182 806 N C -0.562 174.499 175.510 -0.747 0.000 1.088 806 N CA 0.634 53.264 53.050 -0.699 0.000 0.879 806 N CB 0.705 38.601 38.487 -0.985 0.000 0.983 806 N HN 0.283 nan 8.380 nan 0.000 0.471 807 Y N -0.706 119.410 120.300 -0.306 0.000 2.614 807 Y HA 0.399 4.949 4.550 -0.000 0.000 0.296 807 Y C -2.399 173.373 175.900 -0.214 0.000 0.942 807 Y CA -1.859 56.130 58.100 -0.187 0.000 1.111 807 Y CB 1.076 39.513 38.460 -0.039 0.000 1.182 807 Y HN -0.100 nan 8.280 nan 0.000 0.624 808 P HA 0.001 nan 4.420 nan 0.000 0.274 808 P C 0.368 177.616 177.300 -0.086 0.000 1.264 808 P CA 0.335 63.340 63.100 -0.158 0.000 0.795 808 P CB 0.607 32.130 31.700 -0.295 0.000 1.064 809 A N -0.568 122.260 122.820 0.012 0.000 2.189 809 A HA -0.078 4.242 4.320 -0.000 0.000 0.272 809 A C 0.486 177.894 177.584 -0.293 0.000 1.349 809 A CA 1.617 53.630 52.037 -0.040 0.000 0.778 809 A CB -2.346 16.742 19.000 0.147 0.000 1.088 809 A HN 0.644 nan 8.150 nan 0.000 0.351 810 T N -4.525 109.850 114.554 -0.297 0.000 2.868 810 T HA 0.536 4.886 4.350 -0.000 0.000 0.306 810 T C 0.746 175.225 174.700 -0.368 0.000 1.224 810 T CA -0.184 61.654 62.100 -0.437 0.000 1.012 810 T CB 1.297 69.676 68.868 -0.814 0.000 1.221 810 T HN 0.687 nan 8.240 nan 0.000 0.499 811 V N 2.032 121.775 119.914 -0.286 0.000 2.282 811 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 811 V C 2.768 178.795 176.094 -0.111 0.000 1.057 811 V CA 2.516 64.708 62.300 -0.181 0.000 1.032 811 V CB -1.263 30.472 31.823 -0.148 0.000 0.645 811 V HN 1.072 nan 8.190 nan 0.000 0.447 812 H N -0.327 118.779 119.070 0.061 0.000 2.421 812 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 812 H C 2.323 177.643 175.328 -0.013 0.000 1.087 812 H CA 1.570 57.659 56.048 0.069 0.000 1.330 812 H CB -0.683 29.206 29.762 0.212 0.000 1.388 812 H HN 0.425 nan 8.280 nan 0.000 0.526 813 G N 1.011 109.694 108.800 -0.195 0.000 2.402 813 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 813 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 813 G C 1.992 176.836 174.900 -0.094 0.000 1.162 813 G CA 1.345 46.395 45.100 -0.082 0.000 0.777 813 G HN 0.628 nan 8.290 nan 0.000 0.539 814 A N 1.293 124.047 122.820 -0.110 0.000 1.828 814 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 814 A C 2.364 179.901 177.584 -0.078 0.000 1.203 814 A CA 1.631 53.615 52.037 -0.088 0.000 0.614 814 A CB -0.872 18.078 19.000 -0.083 0.000 0.844 814 A HN 0.395 nan 8.150 nan 0.000 0.445 815 L N -0.060 121.125 121.223 -0.062 0.000 2.058 815 L HA -0.261 4.079 4.340 -0.000 0.000 0.226 815 L C 2.368 179.177 176.870 -0.102 0.000 1.089 815 L CA 2.580 57.388 54.840 -0.054 0.000 0.799 815 L CB -1.414 40.641 42.059 -0.006 0.000 0.900 815 L HN 0.486 nan 8.230 nan 0.000 0.442 816 L N -0.100 121.050 121.223 -0.123 0.000 2.042 816 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 816 L C 2.850 179.633 176.870 -0.145 0.000 1.076 816 L CA 1.909 56.639 54.840 -0.183 0.000 0.749 816 L CB -0.402 41.514 42.059 -0.239 0.000 0.893 816 L HN 0.579 nan 8.230 nan 0.000 0.432 817 S N -0.771 114.865 115.700 -0.107 0.000 2.355 817 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 817 S C 2.161 176.721 174.600 -0.065 0.000 1.031 817 S CA 0.793 58.946 58.200 -0.078 0.000 0.993 817 S CB -1.297 61.858 63.200 -0.074 0.000 0.859 817 S HN 0.426 nan 8.310 nan 0.000 0.453 818 G N 2.634 111.392 108.800 -0.071 0.000 2.574 818 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 818 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 818 G C 1.475 176.325 174.900 -0.085 0.000 1.173 818 G CA 1.361 46.419 45.100 -0.071 0.000 0.772 818 G HN 0.506 nan 8.290 nan 0.000 0.585 819 L N -0.264 120.892 121.223 -0.112 0.000 1.994 819 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 819 L C 2.953 179.781 176.870 -0.070 0.000 1.071 819 L CA 1.596 56.361 54.840 -0.124 0.000 0.745 819 L CB -0.601 41.325 42.059 -0.220 0.000 0.892 819 L HN 0.253 nan 8.230 nan 0.000 0.431 820 R N 0.312 120.770 120.500 -0.070 0.000 2.115 820 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 820 R C 2.244 178.549 176.300 0.008 0.000 1.133 820 R CA 2.020 58.105 56.100 -0.026 0.000 0.935 820 R CB -0.138 30.139 30.300 -0.038 0.000 0.853 820 R HN 0.299 nan 8.270 nan 0.000 0.433 821 E N 0.216 120.410 120.200 -0.009 0.000 2.077 821 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 821 E C 1.936 178.493 176.600 -0.070 0.000 0.989 821 E CA 1.208 57.596 56.400 -0.021 0.000 0.800 821 E CB -0.475 29.219 29.700 -0.011 0.000 0.746 821 E HN 0.495 nan 8.360 nan 0.000 0.452 822 A N 1.319 124.105 122.820 -0.056 0.000 1.869 822 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 822 A C 2.547 180.201 177.584 0.117 0.000 1.203 822 A CA 2.598 54.622 52.037 -0.021 0.000 0.638 822 A CB -1.490 17.458 19.000 -0.087 0.000 0.831 822 A HN 0.363 nan 8.150 nan 0.000 0.450 823 G N -0.477 108.409 108.800 0.143 0.000 2.556 823 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.220 823 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.220 823 G C 1.741 176.702 174.900 0.102 0.000 1.156 823 G CA 1.709 46.896 45.100 0.146 0.000 0.766 823 G HN 0.721 nan 8.290 nan 0.000 0.583 824 R N 0.024 120.569 120.500 0.076 0.000 2.073 824 R HA 0.141 4.481 4.340 -0.000 0.000 0.229 824 R C 2.532 178.809 176.300 -0.039 0.000 1.120 824 R CA 1.087 57.217 56.100 0.051 0.000 0.967 824 R CB -0.406 29.938 30.300 0.073 0.000 0.862 824 R HN 0.387 nan 8.270 nan 0.000 0.436 825 I N 1.299 121.762 120.570 -0.178 0.000 2.142 825 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 825 I C 2.606 178.765 176.117 0.070 0.000 1.078 825 I CA 1.585 62.763 61.300 -0.204 0.000 1.343 825 I CB -0.391 37.385 38.000 -0.375 0.000 1.046 825 I HN 0.381 nan 8.210 nan 0.000 0.405 826 A N 0.341 123.216 122.820 0.091 0.000 1.873 826 A HA -0.296 4.023 4.320 -0.000 0.000 0.218 826 A C 2.013 179.608 177.584 0.017 0.000 1.193 826 A CA 2.334 54.433 52.037 0.104 0.000 0.629 826 A CB -0.861 18.198 19.000 0.097 0.000 0.826 826 A HN 0.383 nan 8.150 nan 0.000 0.447 827 D N -0.984 119.407 120.400 -0.014 0.000 2.126 827 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 827 D C 2.059 178.313 176.300 -0.076 0.000 1.001 827 D CA 1.975 55.952 54.000 -0.038 0.000 0.841 827 D CB -0.458 40.344 40.800 0.004 0.000 0.949 827 D HN 0.529 nan 8.370 nan 0.000 0.446 828 Q N -0.561 119.185 119.800 -0.091 0.000 2.077 828 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 828 Q C 1.798 177.543 176.000 -0.425 0.000 0.989 828 Q CA 1.622 57.262 55.803 -0.271 0.000 0.853 828 Q CB -0.445 28.108 28.738 -0.308 0.000 0.907 828 Q HN 0.356 nan 8.270 nan 0.000 0.418 829 F N -1.746 118.201 119.950 -0.005 0.000 2.678 829 F HA 0.242 4.769 4.527 -0.000 0.000 0.291 829 F C 1.341 177.137 175.800 -0.006 0.000 1.123 829 F CA 0.140 58.142 58.000 0.004 0.000 1.395 829 F CB 0.442 39.448 39.000 0.009 0.000 1.121 829 F HN -0.015 nan 8.300 nan 0.000 0.592 830 L N -0.784 120.505 121.223 0.111 0.000 2.664 830 L HA 0.468 4.808 4.340 -0.000 0.000 0.233 830 L C 0.784 177.645 176.870 -0.015 0.000 1.113 830 L CA 0.138 55.007 54.840 0.047 0.000 0.896 830 L CB -0.468 41.609 42.059 0.030 0.000 1.163 830 L HN 0.110 nan 8.230 nan 0.000 0.497 831 G N 1.157 109.927 108.800 -0.050 0.000 2.750 831 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 831 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 831 G C -0.238 174.584 174.900 -0.130 0.000 1.395 831 G CA -0.386 44.656 45.100 -0.096 0.000 0.918 831 G HN 0.367 nan 8.290 nan 0.000 0.594 832 A N 3.581 126.264 122.820 -0.228 0.000 2.621 832 A HA 0.606 4.926 4.320 -0.000 0.000 0.329 832 A C 1.557 178.848 177.584 -0.488 0.000 1.458 832 A CA 0.199 51.962 52.037 -0.457 0.000 1.052 832 A CB 0.041 18.611 19.000 -0.717 0.000 1.142 832 A HN 0.780 nan 8.150 nan 0.000 0.523 833 M N 1.472 120.917 119.600 -0.258 0.000 2.229 833 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 833 M C 1.669 177.855 176.300 -0.189 0.000 1.063 833 M CA 1.676 56.880 55.300 -0.160 0.000 1.114 833 M CB -1.349 31.225 32.600 -0.044 0.000 1.387 833 M HN 0.988 nan 8.290 nan 0.000 0.420 834 Y N 0.978 121.176 120.300 -0.169 0.000 2.680 834 Y HA 0.035 4.585 4.550 -0.000 0.000 0.303 834 Y C 1.791 177.536 175.900 -0.259 0.000 1.166 834 Y CA 0.989 58.968 58.100 -0.201 0.000 1.344 834 Y CB -1.852 36.480 38.460 -0.213 0.000 1.002 834 Y HN 0.254 nan 8.280 nan 0.000 0.537 835 T N -2.350 111.904 114.554 -0.500 0.000 3.107 835 T HA 0.237 4.587 4.350 -0.000 0.000 0.249 835 T C 0.352 174.900 174.700 -0.253 0.000 1.096 835 T CA -0.088 61.759 62.100 -0.422 0.000 1.012 835 T CB -0.003 68.597 68.868 -0.446 0.000 0.977 835 T HN 0.065 nan 8.240 nan 0.000 0.527 836 L N 0.000 121.114 121.223 -0.181 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.777 54.840 -0.106 0.000 0.813 836 L CB 0.000 42.007 42.059 -0.087 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502