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 3f70_1_B DATA FIRST_RESID 172 DATA SEQUENCE QDALVLGFDW GKFLKDHSYK AAPVSCFKHV PLYDQWEDVM KGMKVEVLNS DATA SEQUENCE DAVLPSRVYW IASVIQTAGY RVLLRYEGFE NDASHDFWCN LGTVDVHPIG DATA SEQUENCE WCAINSKILV PPRTIHAKFT DWKGYLMKRL VGSRTLPVDF HIKMVESMKY DATA SEQUENCE PFRQGMRLEV VDKSQVSRTR MAVVDTVIGG RLRLLYEDGD SDDDFWCHMW DATA SEQUENCE SPLIHPVGWS RRVGHGIKMS XXXXXXXXXX XXXXXXCDAV PYLFKKVRAV DATA SEQUENCE YTEGGWFEEG MKLEAIDPLN LGNICVATVC KVLLDGYLMI CVDXXXXXXX DATA SEQUENCE XDWFCYHASS HAIFPATFCQ KNDIELTPPK GXXXXTFNWE NYLEKTKSKA DATA SEQUENCE APSRLFNMDC PNHGFKVGMK LEAVDLMEPR LICVATVKRV VHRLLSIHFD DATA SEQUENCE GWDSEYDQWV DCESPDIYPV GWCELTGYQL QPPVAAEP 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 172 Q HA 0.000 nan 4.340 nan 0.000 0.214 172 Q C 0.000 175.993 176.000 -0.012 0.000 1.003 172 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 172 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 173 D N 1.770 122.163 120.400 -0.011 0.000 2.144 173 D HA 0.193 4.867 4.640 0.055 0.000 0.199 173 D C 1.900 178.193 176.300 -0.012 0.000 0.984 173 D CA 2.621 56.614 54.000 -0.011 0.000 0.834 173 D CB -0.330 40.464 40.800 -0.010 0.000 0.955 173 D HN 0.546 nan 8.370 nan 0.000 0.465 174 A N -0.217 122.597 122.820 -0.011 0.000 1.972 174 A HA 0.236 4.590 4.320 0.055 0.000 0.219 174 A C 1.512 179.088 177.584 -0.013 0.000 1.169 174 A CA 0.522 52.553 52.037 -0.012 0.000 0.635 174 A CB -0.260 18.734 19.000 -0.010 0.000 0.810 174 A HN 0.528 nan 8.150 nan 0.000 0.446 175 L N 1.993 123.208 121.223 -0.014 0.000 2.358 175 L HA 0.214 4.587 4.340 0.055 0.000 0.274 175 L C -0.448 176.412 176.870 -0.018 0.000 1.136 175 L CA -0.646 54.185 54.840 -0.015 0.000 0.970 175 L CB 0.571 42.622 42.059 -0.014 0.000 1.314 175 L HN 0.204 nan 8.230 nan 0.000 0.427 176 V N 1.240 121.143 119.914 -0.019 0.000 2.267 176 V HA 0.151 4.304 4.120 0.055 0.000 0.254 176 V C 0.818 176.898 176.094 -0.024 0.000 1.144 176 V CA -0.304 61.983 62.300 -0.021 0.000 0.992 176 V CB 0.803 32.614 31.823 -0.020 0.000 1.199 176 V HN 0.576 nan 8.190 nan 0.000 0.493 177 L N 4.158 125.365 121.223 -0.026 0.000 2.591 177 L HA 0.635 5.008 4.340 0.055 0.000 0.228 177 L C 1.446 178.299 176.870 -0.028 0.000 1.133 177 L CA 1.505 56.329 54.840 -0.027 0.000 0.880 177 L CB -0.578 41.466 42.059 -0.025 0.000 1.033 177 L HN 1.123 nan 8.230 nan 0.000 0.450 178 G N -0.876 107.907 108.800 -0.028 0.000 2.549 178 G HA2 -0.257 3.736 3.960 0.055 0.000 0.404 178 G HA3 -0.257 3.736 3.960 0.055 0.000 0.404 178 G C -0.525 174.360 174.900 -0.024 0.000 1.292 178 G CA -0.487 44.606 45.100 -0.012 0.000 0.935 178 G HN -0.074 nan 8.290 nan 0.000 0.512 179 F N 1.726 121.585 119.950 -0.152 0.000 2.538 179 F HA 0.508 5.067 4.527 0.054 0.000 0.371 179 F C 0.369 176.037 175.800 -0.220 0.000 1.087 179 F CA 0.165 58.025 58.000 -0.234 0.000 1.250 179 F CB 1.037 39.816 39.000 -0.368 0.000 1.110 179 F HN 0.569 nan 8.300 nan 0.000 0.570 180 D N 5.731 125.526 120.400 -1.007 0.000 2.392 180 D HA 0.118 4.792 4.640 0.055 0.000 0.228 180 D C 0.252 175.954 176.300 -0.997 0.000 1.074 180 D CA -0.437 53.142 54.000 -0.702 0.000 0.838 180 D CB 0.424 41.010 40.800 -0.357 0.000 1.067 180 D HN 0.645 nan 8.370 nan 0.000 0.511 181 W N 2.677 123.618 121.300 -0.599 0.000 2.392 181 W HA 0.018 4.709 4.660 0.053 0.000 0.279 181 W C 2.253 178.539 176.519 -0.388 0.000 1.225 181 W CA 0.805 57.950 57.345 -0.334 0.000 1.233 181 W CB 0.171 29.531 29.460 -0.167 0.000 1.122 181 W HN 0.637 nan 8.180 nan 0.000 0.561 182 G N 0.096 108.700 108.800 -0.327 0.000 2.404 182 G HA2 -0.264 3.729 3.960 0.055 0.000 0.214 182 G HA3 -0.264 3.729 3.960 0.055 0.000 0.214 182 G C 1.401 176.300 174.900 -0.002 0.000 1.189 182 G CA 1.171 45.982 45.100 -0.481 0.000 0.789 182 G HN 0.200 nan 8.290 nan 0.000 0.533 183 K N -0.500 119.884 120.400 -0.027 0.000 2.015 183 K HA -0.198 4.155 4.320 0.055 0.000 0.216 183 K C 2.176 178.781 176.600 0.008 0.000 1.052 183 K CA 1.720 57.996 56.287 -0.018 0.000 0.937 183 K CB -0.450 32.001 32.500 -0.081 0.000 0.719 183 K HN 0.189 nan 8.250 nan 0.000 0.446 184 F N 1.274 121.130 119.950 -0.158 0.000 2.087 184 F HA -0.183 4.377 4.527 0.056 0.000 0.299 184 F C 1.571 177.509 175.800 0.230 0.000 1.100 184 F CA 1.631 59.659 58.000 0.047 0.000 1.226 184 F CB -0.009 39.078 39.000 0.145 0.000 0.983 184 F HN 0.042 nan 8.300 nan 0.000 0.479 185 L N -0.743 120.697 121.223 0.361 0.000 2.628 185 L HA 0.154 4.527 4.340 0.055 0.000 0.229 185 L C 2.071 179.060 176.870 0.197 0.000 1.137 185 L CA 0.525 55.560 54.840 0.325 0.000 0.909 185 L CB -0.645 41.643 42.059 0.382 0.000 1.137 185 L HN 0.080 nan 8.230 nan 0.000 0.470 186 K N -0.880 119.591 120.400 0.117 0.000 2.276 186 K HA -0.000 4.353 4.320 0.055 0.000 0.198 186 K C 1.506 178.071 176.600 -0.058 0.000 1.052 186 K CA 0.807 57.152 56.287 0.096 0.000 0.984 186 K CB -0.270 32.316 32.500 0.142 0.000 0.836 186 K HN 0.110 nan 8.250 nan 0.000 0.490 187 D N 0.152 120.416 120.400 -0.226 0.000 2.219 187 D HA -0.072 4.601 4.640 0.055 0.000 0.205 187 D C 0.853 177.010 176.300 -0.238 0.000 0.970 187 D CA 1.225 55.013 54.000 -0.353 0.000 0.851 187 D CB 0.048 40.376 40.800 -0.786 0.000 0.943 187 D HN 0.807 nan 8.370 nan 0.000 0.488 188 H N -1.216 117.679 119.070 -0.291 0.000 3.230 188 H HA 0.137 4.726 4.556 0.055 0.000 0.259 188 H C -0.189 174.669 175.328 -0.783 0.000 1.195 188 H CA 0.031 55.721 56.048 -0.597 0.000 1.112 188 H CB 0.653 29.824 29.762 -0.984 0.000 1.638 188 H HN -0.112 nan 8.280 nan 0.000 0.624 189 S N 1.088 116.611 115.700 -0.295 0.000 3.244 189 S HA -0.287 4.216 4.470 0.055 0.000 0.291 189 S C -0.420 174.067 174.600 -0.187 0.000 0.833 189 S CA 0.456 58.544 58.200 -0.186 0.000 1.348 189 S CB -1.983 61.172 63.200 -0.074 0.000 0.910 189 S HN 0.278 nan 8.310 nan 0.000 0.461 190 Y N 0.386 120.766 120.300 0.132 0.000 2.335 190 Y HA 0.639 5.221 4.550 0.055 0.000 0.323 190 Y C 0.852 176.832 175.900 0.133 0.000 1.224 190 Y CA -0.712 57.471 58.100 0.137 0.000 1.241 190 Y CB 0.767 39.349 38.460 0.202 0.000 1.235 190 Y HN 0.536 nan 8.280 nan 0.000 0.492 191 K N 0.890 121.473 120.400 0.306 0.000 2.156 191 K HA 0.861 5.214 4.320 0.055 0.000 0.271 191 K C -0.550 176.146 176.600 0.160 0.000 0.995 191 K CA -0.407 55.996 56.287 0.194 0.000 0.890 191 K CB 0.718 33.303 32.500 0.143 0.000 1.073 191 K HN 0.929 nan 8.250 nan 0.000 0.454 192 A N 1.068 123.945 122.820 0.095 0.000 2.303 192 A HA 0.754 5.107 4.320 0.055 0.000 0.317 192 A C 0.545 178.148 177.584 0.033 0.000 1.149 192 A CA -0.117 51.924 52.037 0.007 0.000 0.822 192 A CB 0.608 19.547 19.000 -0.102 0.000 1.131 192 A HN 1.782 nan 8.150 nan 0.000 0.493 193 A N 3.651 126.508 122.820 0.061 0.000 2.520 193 A HA 0.533 4.886 4.320 0.055 0.000 0.245 193 A C -2.089 175.525 177.584 0.050 0.000 1.072 193 A CA -0.850 51.212 52.037 0.042 0.000 0.761 193 A CB -0.590 18.495 19.000 0.143 0.000 1.004 193 A HN 0.626 nan 8.150 nan 0.000 0.499 194 P HA 0.161 nan 4.420 nan 0.000 0.274 194 P C 1.102 178.375 177.300 -0.044 0.000 1.246 194 P CA -0.466 62.629 63.100 -0.009 0.000 0.795 194 P CB 0.672 32.397 31.700 0.042 0.000 1.006 195 V N 1.149 120.876 119.914 -0.312 0.000 2.380 195 V HA -0.256 3.897 4.120 0.055 0.000 0.251 195 V C 2.444 178.489 176.094 -0.081 0.000 1.063 195 V CA 2.888 64.861 62.300 -0.546 0.000 1.055 195 V CB -1.680 29.150 31.823 -1.655 0.000 0.657 195 V HN 0.744 nan 8.190 nan 0.000 0.455 196 S N -1.775 113.919 115.700 -0.008 0.000 2.547 196 S HA -0.173 4.330 4.470 0.055 0.000 0.235 196 S C 1.714 176.360 174.600 0.078 0.000 0.980 196 S CA 1.190 59.480 58.200 0.150 0.000 0.941 196 S CB -1.044 62.234 63.200 0.130 0.000 0.763 196 S HN 0.590 nan 8.310 nan 0.000 0.532 197 C N 0.666 119.843 119.300 -0.206 0.000 2.472 197 C HA 0.334 4.827 4.460 0.055 0.000 0.278 197 C C 0.182 174.796 174.990 -0.627 0.000 1.447 197 C CA -0.252 58.365 59.018 -0.669 0.000 1.773 197 C CB -1.681 25.123 27.740 -1.560 0.000 1.793 197 C HN 0.584 nan 8.230 nan 0.000 0.544 198 F N 0.441 120.313 119.950 -0.131 0.000 2.434 198 F HA 0.302 4.864 4.527 0.058 0.000 0.355 198 F C 0.942 176.417 175.800 -0.540 0.000 1.115 198 F CA -0.567 57.291 58.000 -0.237 0.000 1.010 198 F CB 0.704 39.461 39.000 -0.404 0.000 1.234 198 F HN -0.106 nan 8.300 nan 0.000 0.439 199 K N 1.136 121.342 120.400 -0.324 0.000 2.296 199 K HA -0.085 4.268 4.320 0.055 0.000 0.200 199 K C 1.528 177.872 176.600 -0.428 0.000 1.048 199 K CA 0.787 56.630 56.287 -0.740 0.000 0.966 199 K CB -0.062 32.316 32.500 -0.204 0.000 0.754 199 K HN 0.675 nan 8.250 nan 0.000 0.466 200 H N -0.377 118.467 119.070 -0.377 0.000 2.539 200 H HA 0.082 4.671 4.556 0.055 0.000 0.267 200 H C 0.609 175.761 175.328 -0.293 0.000 0.982 200 H CA -0.017 55.626 56.048 -0.674 0.000 1.146 200 H CB -0.956 28.114 29.762 -1.154 0.000 1.382 200 H HN -0.046 nan 8.280 nan 0.000 0.577 201 V N -1.438 118.254 119.914 -0.370 0.000 2.732 201 V HA 0.551 4.704 4.120 0.055 0.000 0.310 201 V C -2.737 173.474 176.094 0.195 0.000 1.053 201 V CA -2.714 59.552 62.300 -0.058 0.000 0.957 201 V CB 2.122 33.886 31.823 -0.098 0.000 1.018 201 V HN -0.115 nan 8.190 nan 0.000 0.452 202 P HA 0.372 nan 4.420 nan 0.000 0.270 202 P C 0.691 178.150 177.300 0.264 0.000 1.223 202 P CA -0.015 63.209 63.100 0.207 0.000 0.785 202 P CB 0.309 32.061 31.700 0.087 0.000 0.923 203 L N -2.381 118.955 121.223 0.189 0.000 5.051 203 L HA -0.337 4.036 4.340 0.055 0.000 0.432 203 L C 1.547 178.640 176.870 0.373 0.000 1.055 203 L CA 0.578 55.578 54.840 0.265 0.000 1.095 203 L CB -1.839 40.481 42.059 0.434 0.000 1.957 203 L HN 0.397 nan 8.230 nan 0.000 0.727 204 Y N 1.240 121.652 120.300 0.187 0.000 2.241 204 Y HA -0.276 4.306 4.550 0.053 0.000 0.286 204 Y C 2.111 178.147 175.900 0.227 0.000 1.166 204 Y CA 2.462 60.660 58.100 0.164 0.000 1.203 204 Y CB -0.014 38.517 38.460 0.119 0.000 0.977 204 Y HN 0.332 nan 8.280 nan 0.000 0.529 205 D N -1.261 119.163 120.400 0.039 0.000 2.338 205 D HA -0.051 4.622 4.640 0.055 0.000 0.224 205 D C 2.136 178.469 176.300 0.055 0.000 0.967 205 D CA 1.067 55.035 54.000 -0.053 0.000 0.896 205 D CB -0.156 40.673 40.800 0.048 0.000 1.028 205 D HN 0.489 nan 8.370 nan 0.000 0.493 206 Q N 0.501 120.390 119.800 0.147 0.000 2.541 206 Q HA -0.099 4.274 4.340 0.055 0.000 0.215 206 Q C 0.688 176.858 176.000 0.284 0.000 0.977 206 Q CA 0.464 56.389 55.803 0.204 0.000 0.934 206 Q CB -1.005 27.840 28.738 0.177 0.000 0.988 206 Q HN 0.340 nan 8.270 nan 0.000 0.521 207 W N 0.232 121.579 121.300 0.079 0.000 2.303 207 W HA 0.302 4.992 4.660 0.051 0.000 0.334 207 W C 0.096 176.639 176.519 0.040 0.000 1.197 207 W CA -0.213 57.187 57.345 0.093 0.000 1.262 207 W CB 1.054 30.553 29.460 0.066 0.000 1.153 207 W HN 0.452 nan 8.180 nan 0.000 0.596 208 E N 0.909 120.650 120.200 -0.766 0.000 2.494 208 E HA -0.302 4.081 4.350 0.055 0.000 0.249 208 E C 0.986 177.427 176.600 -0.265 0.000 1.184 208 E CA 1.404 57.532 56.400 -0.453 0.000 0.727 208 E CB -1.325 28.345 29.700 -0.050 0.000 1.281 208 E HN 0.764 nan 8.360 nan 0.000 0.405 209 D N -0.375 119.848 120.400 -0.294 0.000 2.264 209 D HA 0.018 4.691 4.640 0.055 0.000 0.208 209 D C 1.008 177.110 176.300 -0.329 0.000 0.966 209 D CA 1.234 55.100 54.000 -0.223 0.000 0.864 209 D CB 0.193 40.913 40.800 -0.135 0.000 0.933 209 D HN 0.054 nan 8.370 nan 0.000 0.499 210 V N 1.105 120.683 119.914 -0.559 0.000 2.432 210 V HA 0.676 4.829 4.120 0.055 0.000 0.275 210 V C 0.165 176.052 176.094 -0.345 0.000 1.043 210 V CA 0.127 62.099 62.300 -0.548 0.000 0.925 210 V CB 0.483 31.762 31.823 -0.905 0.000 0.985 210 V HN 0.742 nan 8.190 nan 0.000 0.466 211 M N 3.001 122.476 119.600 -0.208 0.000 3.198 211 M HA 0.439 4.952 4.480 0.055 0.000 0.273 211 M C -1.056 175.191 176.300 -0.090 0.000 0.983 211 M CA -0.906 54.328 55.300 -0.109 0.000 0.801 211 M CB 1.343 33.897 32.600 -0.077 0.000 1.603 211 M HN 0.257 nan 8.290 nan 0.000 0.559 212 K N 1.006 121.372 120.400 -0.056 0.000 2.477 212 K HA 0.178 4.531 4.320 0.055 0.000 0.275 212 K C 0.917 177.481 176.600 -0.061 0.000 1.054 212 K CA 2.531 58.787 56.287 -0.053 0.000 1.135 212 K CB -0.327 32.154 32.500 -0.031 0.000 0.854 212 K HN 1.107 nan 8.250 nan 0.000 0.484 213 G N 3.290 112.050 108.800 -0.067 0.000 2.213 213 G HA2 -0.287 3.706 3.960 0.055 0.000 0.236 213 G HA3 -0.287 3.706 3.960 0.055 0.000 0.236 213 G C 0.216 175.072 174.900 -0.074 0.000 0.991 213 G CA 0.245 45.309 45.100 -0.060 0.000 0.629 213 G HN 0.644 nan 8.290 nan 0.000 0.517 214 M N 1.430 120.972 119.600 -0.096 0.000 2.245 214 M HA 0.486 4.999 4.480 0.055 0.000 0.344 214 M C -0.159 176.079 176.300 -0.104 0.000 1.170 214 M CA 0.159 55.392 55.300 -0.111 0.000 1.135 214 M CB 0.434 32.943 32.600 -0.153 0.000 1.574 214 M HN -0.010 nan 8.290 nan 0.000 0.452 215 K N 4.538 124.883 120.400 -0.093 0.000 2.164 215 K HA 0.660 5.013 4.320 0.055 0.000 0.258 215 K C -0.900 175.654 176.600 -0.076 0.000 0.951 215 K CA -0.619 55.623 56.287 -0.074 0.000 0.844 215 K CB 1.794 34.256 32.500 -0.064 0.000 1.099 215 K HN 0.661 nan 8.250 nan 0.000 0.435 216 V N -1.911 117.972 119.914 -0.052 0.000 3.114 216 V HA 0.472 4.625 4.120 0.055 0.000 0.308 216 V C -0.518 175.597 176.094 0.036 0.000 1.168 216 V CA -1.115 61.164 62.300 -0.034 0.000 1.015 216 V CB 2.176 33.956 31.823 -0.071 0.000 1.050 216 V HN 0.663 nan 8.190 nan 0.000 0.433 217 E N 1.598 121.846 120.200 0.081 0.000 2.167 217 E HA 0.608 4.991 4.350 0.055 0.000 0.284 217 E C -0.591 176.176 176.600 0.278 0.000 1.016 217 E CA -0.440 56.073 56.400 0.187 0.000 0.817 217 E CB 1.865 31.681 29.700 0.195 0.000 1.080 217 E HN 0.819 nan 8.360 nan 0.000 0.397 218 V N 0.708 120.858 119.914 0.394 0.000 3.102 218 V HA 0.403 4.556 4.120 0.055 0.000 0.312 218 V C -0.247 176.086 176.094 0.399 0.000 1.135 218 V CA -1.414 61.110 62.300 0.374 0.000 1.022 218 V CB 1.307 33.349 31.823 0.364 0.000 1.056 218 V HN 0.438 nan 8.190 nan 0.000 0.436 219 L N 2.897 124.203 121.223 0.137 0.000 2.540 219 L HA 0.210 4.584 4.340 0.055 0.000 0.276 219 L C 0.588 177.470 176.870 0.020 0.000 1.212 219 L CA 0.822 55.554 54.840 -0.181 0.000 0.893 219 L CB -0.269 41.684 42.059 -0.177 0.000 1.138 219 L HN 0.914 nan 8.230 nan 0.000 0.491 220 N N 1.347 119.995 118.700 -0.088 0.000 2.405 220 N HA 0.019 4.792 4.740 0.055 0.000 0.260 220 N C 0.721 176.143 175.510 -0.147 0.000 1.152 220 N CA 0.677 53.651 53.050 -0.128 0.000 0.948 220 N CB 0.822 39.197 38.487 -0.186 0.000 1.111 220 N HN 0.649 nan 8.380 nan 0.000 0.485 221 S N 0.877 116.517 115.700 -0.100 0.000 2.524 221 S HA 0.053 4.557 4.470 0.055 0.000 0.216 221 S C 0.736 175.283 174.600 -0.089 0.000 0.987 221 S CA 0.412 58.552 58.200 -0.100 0.000 0.909 221 S CB -0.274 62.857 63.200 -0.115 0.000 0.781 221 S HN 0.503 nan 8.310 nan 0.000 0.521 222 D N 0.984 121.315 120.400 -0.114 0.000 2.930 222 D HA 0.781 5.454 4.640 0.055 0.000 0.304 222 D C 0.032 176.236 176.300 -0.160 0.000 1.298 222 D CA 0.046 53.984 54.000 -0.102 0.000 0.949 222 D CB 0.220 40.977 40.800 -0.073 0.000 1.013 222 D HN 0.736 nan 8.370 nan 0.000 0.510 223 A N -0.449 122.285 122.820 -0.143 0.000 2.344 223 A HA 0.821 5.175 4.320 0.055 0.000 0.307 223 A C 1.275 178.794 177.584 -0.108 0.000 1.151 223 A CA 0.204 52.153 52.037 -0.148 0.000 0.842 223 A CB 1.568 20.483 19.000 -0.142 0.000 1.350 223 A HN 1.018 nan 8.150 nan 0.000 0.459 224 V N -2.789 117.066 119.914 -0.098 0.000 3.645 224 V HA 0.486 4.639 4.120 0.055 0.000 0.275 224 V C 0.110 176.171 176.094 -0.055 0.000 1.356 224 V CA 0.350 62.606 62.300 -0.073 0.000 1.051 224 V CB -0.415 31.364 31.823 -0.074 0.000 0.828 224 V HN 0.458 nan 8.190 nan 0.000 0.441 225 L N 2.589 123.780 121.223 -0.053 0.000 2.470 225 L HA 0.494 4.867 4.340 0.055 0.000 0.256 225 L C -2.838 174.016 176.870 -0.026 0.000 1.357 225 L CA -1.216 53.602 54.840 -0.036 0.000 0.902 225 L CB 2.317 44.356 42.059 -0.034 0.000 1.121 225 L HN 0.160 nan 8.230 nan 0.000 0.507 226 P HA 0.093 nan 4.420 nan 0.000 0.276 226 P C 0.038 177.341 177.300 0.005 0.000 1.264 226 P CA -0.222 62.873 63.100 -0.008 0.000 0.769 226 P CB 0.808 32.501 31.700 -0.012 0.000 0.840 227 S N 4.457 120.168 115.700 0.018 0.000 3.205 227 S HA -0.100 4.403 4.470 0.055 0.000 0.381 227 S C 0.632 175.254 174.600 0.036 0.000 1.122 227 S CA -0.470 57.752 58.200 0.037 0.000 1.485 227 S CB -0.696 62.530 63.200 0.044 0.000 1.058 227 S HN 0.470 nan 8.310 nan 0.000 0.570 228 R N 1.442 121.961 120.500 0.032 0.000 2.738 228 R HA 0.507 4.880 4.340 0.055 0.000 0.268 228 R C 0.226 176.517 176.300 -0.014 0.000 1.062 228 R CA -0.727 55.358 56.100 -0.025 0.000 1.158 228 R CB 0.059 30.314 30.300 -0.075 0.000 1.046 228 R HN 0.493 nan 8.270 nan 0.000 0.493 229 V N -1.189 118.657 119.914 -0.114 0.000 3.113 229 V HA 0.649 4.802 4.120 0.055 0.000 0.316 229 V C -1.069 174.890 176.094 -0.225 0.000 1.125 229 V CA -1.160 61.128 62.300 -0.019 0.000 1.026 229 V CB 1.399 33.248 31.823 0.042 0.000 1.080 229 V HN 0.784 nan 8.190 nan 0.000 0.444 230 Y N -0.312 120.088 120.300 0.166 0.000 2.633 230 Y HA 0.764 5.342 4.550 0.048 0.000 0.339 230 Y C -0.365 175.742 175.900 0.344 0.000 1.045 230 Y CA -0.442 57.803 58.100 0.242 0.000 1.098 230 Y CB 2.239 40.861 38.460 0.269 0.000 1.296 230 Y HN 0.921 nan 8.280 nan 0.000 0.494 231 W N 2.022 123.477 121.300 0.258 0.000 3.066 231 W HA 0.508 5.200 4.660 0.053 0.000 0.330 231 W C -2.046 174.646 176.519 0.288 0.000 1.253 231 W CA -0.861 56.576 57.345 0.154 0.000 1.187 231 W CB 1.363 30.776 29.460 -0.079 0.000 1.434 231 W HN 0.242 nan 8.180 nan 0.000 0.572 232 I N 2.630 122.948 120.570 -0.421 0.000 2.440 232 I HA 0.572 4.776 4.170 0.055 0.000 0.294 232 I C 0.504 176.658 176.117 0.061 0.000 0.995 232 I CA -0.381 60.804 61.300 -0.191 0.000 1.306 232 I CB 0.370 38.160 38.000 -0.351 0.000 1.407 232 I HN 0.437 nan 8.210 nan 0.000 0.501 233 A N 4.170 127.068 122.820 0.130 0.000 2.566 233 A HA 0.838 5.191 4.320 0.055 0.000 0.292 233 A C -0.625 176.967 177.584 0.013 0.000 1.112 233 A CA -0.468 51.660 52.037 0.153 0.000 0.707 233 A CB 1.831 20.914 19.000 0.138 0.000 1.302 233 A HN 0.723 nan 8.150 nan 0.000 0.409 234 S N 0.005 115.692 115.700 -0.022 0.000 2.536 234 S HA 0.588 5.091 4.470 0.055 0.000 0.287 234 S C -0.611 173.911 174.600 -0.130 0.000 1.101 234 S CA -0.567 57.596 58.200 -0.063 0.000 0.950 234 S CB 1.200 64.387 63.200 -0.021 0.000 1.056 234 S HN 1.283 nan 8.310 nan 0.000 0.481 235 V N 4.930 124.761 119.914 -0.138 0.000 2.475 235 V HA 0.024 4.177 4.120 0.055 0.000 0.292 235 V C 0.920 176.931 176.094 -0.138 0.000 1.003 235 V CA 0.027 62.231 62.300 -0.160 0.000 1.120 235 V CB -0.549 31.194 31.823 -0.134 0.000 0.937 235 V HN 0.853 nan 8.190 nan 0.000 0.476 236 I N 3.077 123.535 120.570 -0.186 0.000 2.556 236 I HA 0.109 4.313 4.170 0.055 0.000 0.251 236 I C 0.899 176.947 176.117 -0.115 0.000 1.105 236 I CA 1.168 62.377 61.300 -0.151 0.000 1.436 236 I CB -0.325 37.551 38.000 -0.206 0.000 1.139 236 I HN 0.880 nan 8.210 nan 0.000 0.438 237 Q N -0.218 119.497 119.800 -0.142 0.000 2.482 237 Q HA 0.369 4.742 4.340 0.055 0.000 0.286 237 Q C -1.630 174.391 176.000 0.034 0.000 1.007 237 Q CA -0.526 55.254 55.803 -0.039 0.000 0.801 237 Q CB 2.306 31.038 28.738 -0.010 0.000 1.455 237 Q HN 0.055 nan 8.270 nan 0.000 0.398 238 T N 1.115 115.748 114.554 0.132 0.000 2.885 238 T HA 0.839 5.222 4.350 0.055 0.000 0.285 238 T C -1.119 173.740 174.700 0.264 0.000 1.019 238 T CA -0.329 61.904 62.100 0.222 0.000 1.010 238 T CB 1.573 70.564 68.868 0.205 0.000 1.022 238 T HN 0.676 nan 8.240 nan 0.000 0.466 239 A N 1.789 124.778 122.820 0.282 0.000 2.768 239 A HA 0.741 5.094 4.320 0.055 0.000 0.299 239 A C 0.777 178.361 177.584 -0.001 0.000 1.171 239 A CA -0.045 52.064 52.037 0.121 0.000 0.759 239 A CB -0.003 19.036 19.000 0.064 0.000 1.267 239 A HN 1.433 nan 8.150 nan 0.000 0.421 240 G N 1.317 110.087 108.800 -0.051 0.000 2.651 240 G HA2 -0.388 3.606 3.960 0.055 0.000 0.315 240 G HA3 -0.388 3.606 3.960 0.055 0.000 0.315 240 G C 0.693 175.515 174.900 -0.129 0.000 1.258 240 G CA 1.267 46.235 45.100 -0.220 0.000 1.002 240 G HN 1.054 nan 8.290 nan 0.000 0.551 241 Y N 2.873 123.124 120.300 -0.082 0.000 2.571 241 Y HA 0.136 4.724 4.550 0.063 0.000 0.294 241 Y C 2.184 178.228 175.900 0.241 0.000 1.141 241 Y CA 1.357 59.497 58.100 0.066 0.000 1.308 241 Y CB 0.012 38.480 38.460 0.014 0.000 1.002 241 Y HN 0.231 nan 8.280 nan 0.000 0.551 242 R N 1.073 121.768 120.500 0.326 0.000 2.349 242 R HA 0.490 4.863 4.340 0.055 0.000 0.299 242 R C -0.485 176.094 176.300 0.465 0.000 1.027 242 R CA -0.599 55.723 56.100 0.369 0.000 0.958 242 R CB 1.362 31.815 30.300 0.256 0.000 1.047 242 R HN -0.043 nan 8.270 nan 0.000 0.468 243 V N 0.317 120.457 119.914 0.377 0.000 2.715 243 V HA 0.480 4.633 4.120 0.055 0.000 0.310 243 V C -0.445 175.566 176.094 -0.138 0.000 1.054 243 V CA -1.328 61.074 62.300 0.170 0.000 0.928 243 V CB 1.755 33.584 31.823 0.011 0.000 1.007 243 V HN 0.557 nan 8.190 nan 0.000 0.437 244 L N 4.751 125.638 121.223 -0.560 0.000 2.260 244 L HA 0.608 4.981 4.340 0.055 0.000 0.289 244 L C -0.507 175.934 176.870 -0.716 0.000 1.057 244 L CA 0.089 54.280 54.840 -1.081 0.000 0.811 244 L CB 0.449 41.721 42.059 -1.310 0.000 1.184 244 L HN 0.717 nan 8.230 nan 0.000 0.429 245 L N 5.253 125.937 121.223 -0.897 0.000 2.331 245 L HA 0.629 5.002 4.340 0.055 0.000 0.275 245 L C -0.126 176.298 176.870 -0.742 0.000 1.022 245 L CA -0.750 53.587 54.840 -0.838 0.000 0.812 245 L CB 1.710 43.063 42.059 -1.176 0.000 1.257 245 L HN 0.581 nan 8.230 nan 0.000 0.435 246 R N 1.499 121.778 120.500 -0.369 0.000 2.439 246 R HA 0.368 4.741 4.340 0.055 0.000 0.310 246 R C -1.343 175.032 176.300 0.126 0.000 0.955 246 R CA -0.661 55.356 56.100 -0.137 0.000 0.853 246 R CB 0.992 31.269 30.300 -0.037 0.000 1.171 246 R HN 0.346 nan 8.270 nan 0.000 0.449 247 Y N 2.196 122.712 120.300 0.361 0.000 2.610 247 Y HA -0.043 4.539 4.550 0.053 0.000 0.332 247 Y C 0.766 177.043 175.900 0.628 0.000 1.201 247 Y CA 0.495 58.941 58.100 0.576 0.000 1.465 247 Y CB 0.480 39.377 38.460 0.728 0.000 1.283 247 Y HN 0.406 nan 8.280 nan 0.000 0.563 248 E N 1.560 122.203 120.200 0.738 0.000 2.465 248 E HA 0.160 4.543 4.350 0.055 0.000 0.260 248 E C 1.156 178.322 176.600 0.944 0.000 0.980 248 E CA 1.110 57.910 56.400 0.666 0.000 0.927 248 E CB 0.514 30.423 29.700 0.350 0.000 0.934 248 E HN 0.892 nan 8.360 nan 0.000 0.459 249 G N 2.987 112.303 108.800 0.860 0.000 2.232 249 G HA2 -0.308 3.685 3.960 0.055 0.000 0.226 249 G HA3 -0.308 3.685 3.960 0.055 0.000 0.226 249 G C 0.854 175.968 174.900 0.356 0.000 0.996 249 G CA 0.040 45.553 45.100 0.689 0.000 0.626 249 G HN 0.469 nan 8.290 nan 0.000 0.509 250 F N 1.649 121.818 119.950 0.365 0.000 2.293 250 F HA 0.169 4.729 4.527 0.055 0.000 0.300 250 F C 1.998 177.918 175.800 0.200 0.000 1.086 250 F CA 1.904 60.043 58.000 0.233 0.000 1.375 250 F CB 0.029 39.164 39.000 0.226 0.000 1.045 250 F HN 0.479 nan 8.300 nan 0.000 0.516 251 E N -0.827 119.614 120.200 0.401 0.000 3.242 251 E HA -0.387 3.997 4.350 0.055 0.000 0.415 251 E C 0.842 177.575 176.600 0.221 0.000 1.511 251 E CA 1.509 58.083 56.400 0.290 0.000 1.206 251 E CB -1.460 28.391 29.700 0.251 0.000 1.484 251 E HN 0.309 nan 8.360 nan 0.000 0.468 252 N N 1.630 120.438 118.700 0.179 0.000 2.373 252 N HA -0.029 4.745 4.740 0.055 0.000 0.181 252 N C 0.032 175.630 175.510 0.147 0.000 1.082 252 N CA 0.405 53.536 53.050 0.136 0.000 0.885 252 N CB 0.030 38.576 38.487 0.098 0.000 0.977 252 N HN 0.217 nan 8.380 nan 0.000 0.462 253 D N 1.168 121.695 120.400 0.213 0.000 2.348 253 D HA 0.166 4.839 4.640 0.055 0.000 0.259 253 D C 0.680 177.107 176.300 0.212 0.000 1.296 253 D CA -0.215 53.932 54.000 0.246 0.000 0.931 253 D CB 0.683 41.706 40.800 0.372 0.000 1.067 253 D HN 0.117 nan 8.370 nan 0.000 0.503 254 A N 2.918 125.801 122.820 0.106 0.000 2.235 254 A HA -0.051 4.302 4.320 0.055 0.000 0.208 254 A C 1.989 179.571 177.584 -0.003 0.000 1.172 254 A CA 0.741 52.793 52.037 0.024 0.000 0.786 254 A CB -0.380 18.622 19.000 0.003 0.000 0.804 254 A HN 0.551 nan 8.150 nan 0.000 0.479 255 S N -1.221 114.522 115.700 0.071 0.000 2.507 255 S HA -0.128 4.375 4.470 0.055 0.000 0.235 255 S C 0.862 175.434 174.600 -0.046 0.000 0.988 255 S CA 1.389 59.628 58.200 0.065 0.000 0.944 255 S CB -0.488 62.825 63.200 0.189 0.000 0.762 255 S HN 0.666 nan 8.310 nan 0.000 0.526 256 H N 0.314 119.226 119.070 -0.263 0.000 2.750 256 H HA 0.435 5.024 4.556 0.054 0.000 0.252 256 H C -1.018 174.179 175.328 -0.218 0.000 1.176 256 H CA -0.915 54.959 56.048 -0.291 0.000 0.987 256 H CB 0.022 29.434 29.762 -0.582 0.000 1.810 256 H HN 0.267 nan 8.280 nan 0.000 0.630 257 D N 1.189 121.509 120.400 -0.133 0.000 2.414 257 D HA 0.161 4.834 4.640 0.055 0.000 0.242 257 D C 0.090 176.299 176.300 -0.151 0.000 1.129 257 D CA 0.417 54.289 54.000 -0.213 0.000 0.885 257 D CB 0.535 41.168 40.800 -0.278 0.000 1.198 257 D HN 0.286 nan 8.370 nan 0.000 0.437 258 F N -1.046 118.678 119.950 -0.377 0.000 2.599 258 F HA 0.661 5.219 4.527 0.053 0.000 0.311 258 F C -1.207 174.389 175.800 -0.340 0.000 1.076 258 F CA -1.531 56.302 58.000 -0.278 0.000 0.937 258 F CB 0.746 39.639 39.000 -0.178 0.000 1.282 258 F HN 0.153 nan 8.300 nan 0.000 0.460 259 W N 1.733 123.015 121.300 -0.031 0.000 2.316 259 W HA 0.578 5.269 4.660 0.052 0.000 0.321 259 W C -0.561 175.963 176.519 0.009 0.000 1.203 259 W CA -0.487 56.823 57.345 -0.058 0.000 1.214 259 W CB 1.614 31.098 29.460 0.039 0.000 1.169 259 W HN 0.841 nan 8.180 nan 0.000 0.561 260 C N 5.511 124.934 119.300 0.205 0.000 2.431 260 C HA 0.412 4.905 4.460 0.055 0.000 0.321 260 C C -0.407 174.709 174.990 0.210 0.000 1.202 260 C CA -0.977 58.148 59.018 0.179 0.000 1.398 260 C CB 0.236 28.009 27.740 0.056 0.000 2.047 260 C HN 0.654 nan 8.230 nan 0.000 0.465 261 N N 4.463 123.275 118.700 0.187 0.000 2.458 261 N HA 0.201 4.974 4.740 0.055 0.000 0.270 261 N C 0.854 176.463 175.510 0.165 0.000 1.102 261 N CA -0.078 53.083 53.050 0.184 0.000 0.967 261 N CB 0.927 39.488 38.487 0.124 0.000 1.078 261 N HN 0.880 nan 8.380 nan 0.000 0.471 262 L N 2.534 123.913 121.223 0.260 0.000 2.549 262 L HA 0.002 4.375 4.340 0.055 0.000 0.229 262 L C 1.864 178.948 176.870 0.357 0.000 1.158 262 L CA 0.624 55.654 54.840 0.316 0.000 0.842 262 L CB -0.149 42.207 42.059 0.496 0.000 0.952 262 L HN 0.614 nan 8.230 nan 0.000 0.452 263 G N -0.543 108.361 108.800 0.173 0.000 3.141 263 G HA2 -0.019 3.974 3.960 0.055 0.000 0.218 263 G HA3 -0.019 3.974 3.960 0.055 0.000 0.218 263 G C 0.800 175.751 174.900 0.086 0.000 1.170 263 G CA 0.281 45.460 45.100 0.132 0.000 0.769 263 G HN 0.360 nan 8.290 nan 0.000 0.546 264 T N -2.262 112.289 114.554 -0.005 0.000 2.816 264 T HA 0.322 4.705 4.350 0.055 0.000 0.282 264 T C 1.584 176.080 174.700 -0.341 0.000 0.993 264 T CA 0.069 62.098 62.100 -0.118 0.000 0.994 264 T CB 1.797 70.629 68.868 -0.060 0.000 1.025 264 T HN 0.366 nan 8.240 nan 0.000 0.529 265 V N -0.744 118.963 119.914 -0.346 0.000 3.052 265 V HA 0.091 4.244 4.120 0.055 0.000 0.254 265 V C 1.386 177.224 176.094 -0.427 0.000 1.100 265 V CA 1.291 63.306 62.300 -0.475 0.000 1.112 265 V CB -0.845 30.837 31.823 -0.235 0.000 0.738 265 V HN 0.939 nan 8.190 nan 0.000 0.469 266 D N 1.697 121.920 120.400 -0.294 0.000 2.352 266 D HA 0.085 4.759 4.640 0.055 0.000 0.236 266 D C 0.384 176.434 176.300 -0.417 0.000 1.148 266 D CA 0.217 54.068 54.000 -0.247 0.000 0.844 266 D CB -0.118 40.675 40.800 -0.012 0.000 0.933 266 D HN 0.504 nan 8.370 nan 0.000 0.507 267 V N -0.464 119.063 119.914 -0.646 0.000 2.495 267 V HA 0.532 4.685 4.120 0.055 0.000 0.298 267 V C -0.341 175.292 176.094 -0.768 0.000 1.031 267 V CA -0.749 61.270 62.300 -0.468 0.000 0.871 267 V CB 1.676 33.367 31.823 -0.220 0.000 0.988 267 V HN 0.165 nan 8.190 nan 0.000 0.432 268 H N 2.683 121.609 119.070 -0.239 0.000 2.985 268 H HA 0.569 5.153 4.556 0.046 0.000 0.360 268 H C -2.813 172.431 175.328 -0.140 0.000 1.221 268 H CA -1.751 54.110 56.048 -0.311 0.000 1.121 268 H CB 2.652 32.021 29.762 -0.655 0.000 1.854 268 H HN 0.396 nan 8.280 nan 0.000 0.551 269 P HA 0.034 nan 4.420 nan 0.000 0.272 269 P C 0.253 177.606 177.300 0.089 0.000 1.230 269 P CA -0.439 62.689 63.100 0.047 0.000 0.788 269 P CB 0.706 32.450 31.700 0.073 0.000 0.949 270 I N 0.866 121.460 120.570 0.039 0.000 2.826 270 I HA 0.051 4.255 4.170 0.055 0.000 0.295 270 I C 1.862 178.014 176.117 0.058 0.000 1.213 270 I CA 1.518 62.841 61.300 0.038 0.000 1.436 270 I CB -1.354 36.641 38.000 -0.007 0.000 1.348 270 I HN 0.862 nan 8.210 nan 0.000 0.570 271 G N 5.789 114.628 108.800 0.065 0.000 2.391 271 G HA2 -0.280 3.713 3.960 0.055 0.000 0.204 271 G HA3 -0.280 3.713 3.960 0.055 0.000 0.204 271 G C 0.716 175.647 174.900 0.051 0.000 1.012 271 G CA 0.263 45.389 45.100 0.043 0.000 0.651 271 G HN 0.633 nan 8.290 nan 0.000 0.494 272 W N 1.309 122.548 121.300 -0.102 0.000 2.335 272 W HA -0.064 4.620 4.660 0.040 0.000 0.311 272 W C 2.548 178.917 176.519 -0.249 0.000 1.213 272 W CA 2.759 59.995 57.345 -0.181 0.000 1.274 272 W CB -0.582 28.731 29.460 -0.244 0.000 1.148 272 W HN 0.365 nan 8.180 nan 0.000 0.498 273 C N 0.400 119.677 119.300 -0.038 0.000 2.398 273 C HA -0.210 4.283 4.460 0.055 0.000 0.276 273 C C 3.055 177.868 174.990 -0.295 0.000 1.222 273 C CA 1.886 60.753 59.018 -0.253 0.000 1.746 273 C CB -1.708 26.000 27.740 -0.054 0.000 2.039 273 C HN 0.518 nan 8.230 nan 0.000 0.470 274 A N 0.058 122.772 122.820 -0.175 0.000 1.873 274 A HA -0.106 4.247 4.320 0.055 0.000 0.215 274 A C 2.033 179.497 177.584 -0.199 0.000 1.186 274 A CA 1.590 53.543 52.037 -0.140 0.000 0.616 274 A CB -0.606 18.347 19.000 -0.078 0.000 0.823 274 A HN 0.594 nan 8.150 nan 0.000 0.442 275 I N 0.041 120.461 120.570 -0.250 0.000 2.226 275 I HA -0.227 3.976 4.170 0.055 0.000 0.245 275 I C 1.274 177.157 176.117 -0.391 0.000 1.100 275 I CA 1.169 62.302 61.300 -0.278 0.000 1.374 275 I CB -0.274 37.568 38.000 -0.264 0.000 1.057 275 I HN 0.355 nan 8.210 nan 0.000 0.413 276 N N 0.542 118.858 118.700 -0.640 0.000 2.276 276 N HA 0.047 4.820 4.740 0.055 0.000 0.212 276 N C 0.073 175.314 175.510 -0.448 0.000 1.127 276 N CA 0.175 52.811 53.050 -0.690 0.000 0.834 276 N CB 0.647 38.334 38.487 -1.334 0.000 1.014 276 N HN 0.084 nan 8.380 nan 0.000 0.491 277 S N 0.521 116.038 115.700 -0.307 0.000 3.641 277 S HA -0.128 4.375 4.470 0.055 0.000 0.346 277 S C 0.146 174.660 174.600 -0.142 0.000 1.074 277 S CA 1.054 59.147 58.200 -0.180 0.000 1.026 277 S CB -0.715 62.409 63.200 -0.128 0.000 0.908 277 S HN 0.361 nan 8.310 nan 0.000 0.479 278 K N 0.316 120.605 120.400 -0.186 0.000 2.210 278 K HA 0.663 5.016 4.320 0.055 0.000 0.236 278 K C 0.212 176.824 176.600 0.019 0.000 1.016 278 K CA -0.703 55.551 56.287 -0.055 0.000 0.913 278 K CB 0.688 33.129 32.500 -0.097 0.000 1.141 278 K HN 0.120 nan 8.250 nan 0.000 0.462 279 I N 1.895 122.547 120.570 0.135 0.000 2.545 279 I HA 0.306 4.509 4.170 0.055 0.000 0.292 279 I C -0.243 176.016 176.117 0.238 0.000 1.040 279 I CA -0.879 60.507 61.300 0.142 0.000 1.068 279 I CB 1.501 39.567 38.000 0.110 0.000 1.251 279 I HN 0.354 nan 8.210 nan 0.000 0.424 280 L N 6.206 127.567 121.223 0.230 0.000 2.281 280 L HA 0.466 4.839 4.340 0.055 0.000 0.285 280 L C -0.402 176.686 176.870 0.363 0.000 1.074 280 L CA -0.497 54.556 54.840 0.356 0.000 0.817 280 L CB 1.155 43.383 42.059 0.281 0.000 1.168 280 L HN 0.207 nan 8.230 nan 0.000 0.434 281 V N 5.264 125.349 119.914 0.285 0.000 2.531 281 V HA 0.397 4.550 4.120 0.055 0.000 0.301 281 V C -2.079 173.612 176.094 -0.671 0.000 1.034 281 V CA -1.727 60.504 62.300 -0.116 0.000 0.865 281 V CB 2.130 33.877 31.823 -0.127 0.000 0.995 281 V HN 0.582 nan 8.190 nan 0.000 0.424 282 P HA 0.226 nan 4.420 nan 0.000 0.272 282 P C -2.742 173.808 177.300 -1.250 0.000 1.223 282 P CA -1.556 60.194 63.100 -2.250 0.000 0.784 282 P CB -0.124 30.263 31.700 -2.188 0.000 0.923 283 P HA 0.136 nan 4.420 nan 0.000 0.266 283 P C 1.114 178.162 177.300 -0.421 0.000 1.195 283 P CA 0.138 62.835 63.100 -0.670 0.000 0.768 283 P CB 0.568 31.946 31.700 -0.537 0.000 0.838 284 R N 1.046 121.390 120.500 -0.260 0.000 2.120 284 R HA -0.092 4.281 4.340 0.055 0.000 0.234 284 R C 1.852 178.169 176.300 0.028 0.000 1.123 284 R CA 1.910 57.944 56.100 -0.109 0.000 0.975 284 R CB -0.794 29.436 30.300 -0.117 0.000 0.866 284 R HN 0.550 nan 8.270 nan 0.000 0.446 285 T N 1.273 115.774 114.554 -0.088 0.000 2.665 285 T HA -0.181 4.202 4.350 0.055 0.000 0.268 285 T C 1.706 176.250 174.700 -0.260 0.000 1.035 285 T CA 1.819 63.839 62.100 -0.134 0.000 1.151 285 T CB -0.180 68.594 68.868 -0.157 0.000 0.862 285 T HN 0.487 nan 8.240 nan 0.000 0.438 286 I N -0.515 119.830 120.570 -0.375 0.000 4.154 286 I HA 0.292 4.495 4.170 0.055 0.000 0.334 286 I C 2.091 178.129 176.117 -0.132 0.000 1.371 286 I CA -0.400 60.658 61.300 -0.403 0.000 1.110 286 I CB -0.430 37.192 38.000 -0.630 0.000 1.085 286 I HN 0.239 nan 8.210 nan 0.000 0.398 287 H N 2.336 121.294 119.070 -0.187 0.000 2.457 287 H HA -0.031 4.558 4.556 0.056 0.000 0.297 287 H C 1.628 177.092 175.328 0.228 0.000 1.092 287 H CA 1.621 57.638 56.048 -0.052 0.000 1.309 287 H CB -0.021 29.611 29.762 -0.217 0.000 1.382 287 H HN 0.479 nan 8.280 nan 0.000 0.535 288 A N 1.062 123.548 122.820 -0.556 0.000 2.278 288 A HA 0.080 4.433 4.320 0.055 0.000 0.212 288 A C 2.248 179.626 177.584 -0.343 0.000 1.213 288 A CA -0.180 51.595 52.037 -0.437 0.000 0.840 288 A CB -0.234 18.429 19.000 -0.563 0.000 0.866 288 A HN 0.326 nan 8.150 nan 0.000 0.489 289 K N -0.949 119.222 120.400 -0.382 0.000 2.057 289 K HA 0.003 4.356 4.320 0.055 0.000 0.207 289 K C -0.628 175.282 176.600 -1.149 0.000 1.049 289 K CA 0.981 56.783 56.287 -0.807 0.000 0.931 289 K CB -0.056 31.836 32.500 -1.013 0.000 0.714 289 K HN 0.504 nan 8.250 nan 0.000 0.440 290 F N -1.962 117.575 119.950 -0.689 0.000 2.613 290 F HA 0.189 4.749 4.527 0.055 0.000 0.314 290 F C 1.195 176.647 175.800 -0.580 0.000 1.075 290 F CA -0.924 56.627 58.000 -0.749 0.000 0.945 290 F CB 1.713 40.032 39.000 -1.134 0.000 1.310 290 F HN -0.292 nan 8.300 nan 0.000 0.467 291 T N -1.461 113.015 114.554 -0.130 0.000 2.814 291 T HA -0.089 4.294 4.350 0.055 0.000 0.254 291 T C 0.467 175.149 174.700 -0.031 0.000 1.037 291 T CA 1.022 63.096 62.100 -0.043 0.000 1.143 291 T CB -0.178 68.689 68.868 -0.001 0.000 0.866 291 T HN 0.453 nan 8.240 nan 0.000 0.431 292 D N 0.350 120.712 120.400 -0.064 0.000 2.600 292 D HA 0.083 4.756 4.640 0.055 0.000 0.226 292 D C 0.145 176.439 176.300 -0.010 0.000 1.119 292 D CA -0.372 53.621 54.000 -0.011 0.000 1.051 292 D CB -0.521 40.269 40.800 -0.016 0.000 1.106 292 D HN 0.391 nan 8.370 nan 0.000 0.491 293 W N 1.526 122.926 121.300 0.167 0.000 2.374 293 W HA -0.096 4.599 4.660 0.058 0.000 0.288 293 W C 2.451 179.098 176.519 0.214 0.000 1.218 293 W CA 0.376 57.872 57.345 0.252 0.000 1.245 293 W CB 0.137 29.821 29.460 0.374 0.000 1.126 293 W HN 0.242 nan 8.180 nan 0.000 0.545 294 K N 0.127 120.745 120.400 0.363 0.000 2.025 294 K HA -0.113 4.240 4.320 0.055 0.000 0.207 294 K C 2.279 178.955 176.600 0.127 0.000 1.049 294 K CA 1.650 58.069 56.287 0.221 0.000 0.933 294 K CB -0.764 31.831 32.500 0.157 0.000 0.714 294 K HN 0.206 nan 8.250 nan 0.000 0.438 295 G N -0.121 108.729 108.800 0.083 0.000 2.422 295 G HA2 -0.285 3.708 3.960 0.055 0.000 0.218 295 G HA3 -0.285 3.708 3.960 0.055 0.000 0.218 295 G C 1.357 176.245 174.900 -0.020 0.000 1.140 295 G CA 0.672 45.781 45.100 0.015 0.000 0.775 295 G HN 0.401 nan 8.290 nan 0.000 0.545 296 Y N 1.249 121.451 120.300 -0.163 0.000 2.102 296 Y HA -0.196 4.387 4.550 0.054 0.000 0.280 296 Y C 2.531 178.386 175.900 -0.075 0.000 1.178 296 Y CA 1.773 59.727 58.100 -0.244 0.000 1.146 296 Y CB -0.282 37.888 38.460 -0.484 0.000 0.968 296 Y HN 0.137 nan 8.280 nan 0.000 0.504 297 L N -1.207 120.053 121.223 0.062 0.000 2.056 297 L HA -0.244 4.129 4.340 0.055 0.000 0.207 297 L C 2.490 179.288 176.870 -0.120 0.000 1.078 297 L CA 0.892 55.703 54.840 -0.048 0.000 0.749 297 L CB -0.554 41.506 42.059 0.001 0.000 0.901 297 L HN 0.257 nan 8.230 nan 0.000 0.433 298 M N -0.017 119.539 119.600 -0.074 0.000 2.149 298 M HA -0.226 4.287 4.480 0.055 0.000 0.261 298 M C 2.201 178.434 176.300 -0.110 0.000 1.064 298 M CA 1.788 57.043 55.300 -0.074 0.000 1.102 298 M CB -0.823 31.750 32.600 -0.044 0.000 1.369 298 M HN 0.158 nan 8.290 nan 0.000 0.408 299 K N -0.850 119.455 120.400 -0.158 0.000 2.062 299 K HA -0.058 4.296 4.320 0.055 0.000 0.205 299 K C 2.036 178.519 176.600 -0.194 0.000 1.051 299 K CA 0.784 56.969 56.287 -0.170 0.000 0.941 299 K CB 0.009 32.383 32.500 -0.210 0.000 0.719 299 K HN 0.193 nan 8.250 nan 0.000 0.440 300 R N 0.603 120.932 120.500 -0.286 0.000 2.189 300 R HA -0.011 4.363 4.340 0.055 0.000 0.218 300 R C 1.965 178.174 176.300 -0.152 0.000 1.074 300 R CA 0.838 56.789 56.100 -0.248 0.000 0.991 300 R CB -0.184 29.922 30.300 -0.324 0.000 0.883 300 R HN 0.251 nan 8.270 nan 0.000 0.457 301 L N 1.406 122.549 121.223 -0.133 0.000 2.558 301 L HA 0.065 4.438 4.340 0.055 0.000 0.225 301 L C 0.617 177.443 176.870 -0.074 0.000 1.128 301 L CA -0.180 54.604 54.840 -0.094 0.000 0.868 301 L CB 0.168 42.175 42.059 -0.086 0.000 1.006 301 L HN -0.119 nan 8.230 nan 0.000 0.454 302 V N -0.921 118.948 119.914 -0.076 0.000 2.540 302 V HA 0.429 4.582 4.120 0.055 0.000 0.297 302 V C 1.256 177.319 176.094 -0.052 0.000 1.024 302 V CA 0.108 62.373 62.300 -0.059 0.000 1.105 302 V CB -0.008 31.781 31.823 -0.057 0.000 0.938 302 V HN 0.512 nan 8.190 nan 0.000 0.482 303 G N 2.992 111.766 108.800 -0.043 0.000 2.155 303 G HA2 -0.230 3.764 3.960 0.055 0.000 0.257 303 G HA3 -0.230 3.764 3.960 0.055 0.000 0.257 303 G C 0.296 175.170 174.900 -0.043 0.000 0.983 303 G CA 0.545 45.622 45.100 -0.039 0.000 0.676 303 G HN 1.911 nan 8.290 nan 0.000 0.528 304 S N -0.582 115.089 115.700 -0.048 0.000 2.669 304 S HA 0.817 5.320 4.470 0.055 0.000 0.270 304 S C 0.370 174.939 174.600 -0.052 0.000 1.225 304 S CA 0.027 58.195 58.200 -0.052 0.000 0.991 304 S CB 1.726 64.890 63.200 -0.059 0.000 0.987 304 S HN 1.150 nan 8.310 nan 0.000 0.552 305 R N -0.456 120.008 120.500 -0.060 0.000 2.873 305 R HA 0.797 5.170 4.340 0.055 0.000 0.264 305 R C -0.568 175.684 176.300 -0.080 0.000 1.026 305 R CA -0.710 55.350 56.100 -0.066 0.000 1.002 305 R CB 1.486 31.743 30.300 -0.072 0.000 1.174 305 R HN 0.659 nan 8.270 nan 0.000 0.488 306 T N 0.125 114.628 114.554 -0.085 0.000 2.696 306 T HA 0.398 4.781 4.350 0.055 0.000 0.291 306 T C -0.622 173.994 174.700 -0.140 0.000 1.095 306 T CA -0.911 61.129 62.100 -0.100 0.000 1.026 306 T CB 1.139 69.969 68.868 -0.063 0.000 1.390 306 T HN 0.452 nan 8.240 nan 0.000 0.513 307 L N 2.625 123.744 121.223 -0.173 0.000 2.483 307 L HA 0.285 4.658 4.340 0.055 0.000 0.276 307 L C -1.915 174.890 176.870 -0.110 0.000 1.213 307 L CA -1.544 53.139 54.840 -0.261 0.000 0.843 307 L CB 0.433 42.268 42.059 -0.374 0.000 1.107 307 L HN 0.562 nan 8.230 nan 0.000 0.487 308 P HA -0.031 nan 4.420 nan 0.000 0.265 308 P C -0.850 176.529 177.300 0.131 0.000 1.187 308 P CA -0.320 62.830 63.100 0.082 0.000 0.766 308 P CB 0.279 32.105 31.700 0.210 0.000 0.820 309 V N -0.682 119.299 119.914 0.111 0.000 2.617 309 V HA 0.256 4.409 4.120 0.055 0.000 0.304 309 V C 1.403 177.593 176.094 0.160 0.000 1.040 309 V CA 0.722 63.102 62.300 0.133 0.000 1.149 309 V CB -1.290 30.591 31.823 0.098 0.000 0.914 309 V HN 0.936 nan 8.190 nan 0.000 0.487 310 D N 1.339 121.849 120.400 0.182 0.000 2.876 310 D HA -0.304 4.369 4.640 0.055 0.000 0.196 310 D C 0.720 177.131 176.300 0.185 0.000 1.014 310 D CA 1.215 55.310 54.000 0.159 0.000 1.012 310 D CB -2.205 38.658 40.800 0.105 0.000 1.080 310 D HN 1.014 nan 8.370 nan 0.000 0.438 311 F N 0.451 120.453 119.950 0.087 0.000 2.045 311 F HA -0.112 4.447 4.527 0.052 0.000 0.297 311 F C 2.229 178.090 175.800 0.102 0.000 1.114 311 F CA 3.093 61.146 58.000 0.089 0.000 1.207 311 F CB -0.472 38.576 39.000 0.080 0.000 0.964 311 F HN 0.559 nan 8.300 nan 0.000 0.486 312 H N -0.158 119.016 119.070 0.174 0.000 2.389 312 H HA -0.064 4.512 4.556 0.033 0.000 0.299 312 H C 2.262 177.584 175.328 -0.010 0.000 1.081 312 H CA 2.081 58.159 56.048 0.049 0.000 1.345 312 H CB -0.370 29.456 29.762 0.106 0.000 1.393 312 H HN 0.377 nan 8.280 nan 0.000 0.520 313 I N 0.497 121.060 120.570 -0.012 0.000 2.069 313 I HA -0.377 3.826 4.170 0.055 0.000 0.237 313 I C 2.302 178.355 176.117 -0.106 0.000 1.053 313 I CA 1.887 63.162 61.300 -0.042 0.000 1.311 313 I CB -0.305 37.721 38.000 0.043 0.000 1.030 313 I HN 0.287 nan 8.210 nan 0.000 0.398 314 K N -0.000 120.351 120.400 -0.081 0.000 2.089 314 K HA -0.273 4.080 4.320 0.055 0.000 0.210 314 K C 2.154 178.653 176.600 -0.169 0.000 1.048 314 K CA 1.854 58.082 56.287 -0.098 0.000 0.926 314 K CB -0.246 32.214 32.500 -0.067 0.000 0.714 314 K HN 0.326 nan 8.250 nan 0.000 0.448 315 M N 0.876 120.307 119.600 -0.281 0.000 2.065 315 M HA -0.190 4.323 4.480 0.055 0.000 0.259 315 M C 2.278 178.410 176.300 -0.280 0.000 1.069 315 M CA 1.973 57.092 55.300 -0.302 0.000 1.110 315 M CB -0.238 32.127 32.600 -0.392 0.000 1.328 315 M HN 0.175 nan 8.290 nan 0.000 0.405 316 V N -0.953 118.744 119.914 -0.362 0.000 2.392 316 V HA -0.256 3.897 4.120 0.055 0.000 0.249 316 V C 1.646 177.624 176.094 -0.193 0.000 1.059 316 V CA 2.391 64.529 62.300 -0.270 0.000 1.051 316 V CB -1.010 30.669 31.823 -0.239 0.000 0.658 316 V HN 0.483 nan 8.190 nan 0.000 0.455 317 E N 1.691 121.796 120.200 -0.158 0.000 2.153 317 E HA -0.119 4.264 4.350 0.055 0.000 0.194 317 E C 2.313 178.834 176.600 -0.130 0.000 0.988 317 E CA 1.624 57.953 56.400 -0.118 0.000 0.811 317 E CB -0.407 29.250 29.700 -0.072 0.000 0.746 317 E HN 0.959 nan 8.360 nan 0.000 0.466 318 S N -0.991 114.631 115.700 -0.131 0.000 2.593 318 S HA 0.059 4.562 4.470 0.055 0.000 0.217 318 S C 1.355 175.807 174.600 -0.247 0.000 0.966 318 S CA 0.160 58.296 58.200 -0.106 0.000 0.914 318 S CB 0.072 63.262 63.200 -0.018 0.000 0.776 318 S HN 0.128 nan 8.310 nan 0.000 0.523 319 M N 1.202 120.588 119.600 -0.358 0.000 2.484 319 M HA 0.277 4.790 4.480 0.055 0.000 0.307 319 M C 0.390 176.222 176.300 -0.781 0.000 1.149 319 M CA -0.108 54.833 55.300 -0.598 0.000 0.972 319 M CB 0.643 33.107 32.600 -0.228 0.000 1.400 319 M HN 0.344 nan 8.290 nan 0.000 0.508 320 K N 0.867 120.902 120.400 -0.608 0.000 2.248 320 K HA 0.490 4.843 4.320 0.055 0.000 0.281 320 K C -1.389 174.887 176.600 -0.540 0.000 1.054 320 K CA -0.028 56.001 56.287 -0.430 0.000 0.903 320 K CB 0.030 32.414 32.500 -0.192 0.000 1.077 320 K HN 0.187 nan 8.250 nan 0.000 0.474 321 Y N 1.889 122.206 120.300 0.028 0.000 2.487 321 Y HA 0.411 4.994 4.550 0.056 0.000 0.337 321 Y C -0.861 175.050 175.900 0.018 0.000 1.076 321 Y CA -2.181 55.944 58.100 0.042 0.000 1.115 321 Y CB 2.120 40.616 38.460 0.060 0.000 1.235 321 Y HN 0.569 nan 8.280 nan 0.000 0.468 322 P HA 0.025 nan 4.420 nan 0.000 0.240 322 P C -0.473 176.731 177.300 -0.159 0.000 1.190 322 P CA 0.597 63.665 63.100 -0.053 0.000 0.781 322 P CB 0.300 31.896 31.700 -0.173 0.000 0.931 323 F N 1.337 121.288 119.950 0.000 0.000 2.410 323 F HA 0.351 4.909 4.527 0.053 0.000 0.348 323 F C 1.378 177.168 175.800 -0.016 0.000 1.106 323 F CA -0.088 57.880 58.000 -0.054 0.000 1.163 323 F CB 0.886 39.809 39.000 -0.128 0.000 1.129 323 F HN -0.323 nan 8.300 nan 0.000 0.516 324 R N 1.329 121.929 120.500 0.167 0.000 2.807 324 R HA 0.265 4.638 4.340 0.055 0.000 0.276 324 R C -0.848 175.494 176.300 0.070 0.000 0.979 324 R CA -1.280 54.877 56.100 0.095 0.000 0.928 324 R CB 1.900 32.236 30.300 0.060 0.000 1.191 324 R HN 0.604 nan 8.270 nan 0.000 0.471 325 Q N 0.433 120.255 119.800 0.037 0.000 2.308 325 Q HA 0.000 4.373 4.340 0.055 0.000 0.313 325 Q C 0.602 176.615 176.000 0.022 0.000 1.075 325 Q CA 1.884 57.694 55.803 0.012 0.000 0.995 325 Q CB 0.257 28.996 28.738 0.002 0.000 1.107 325 Q HN 0.895 nan 8.270 nan 0.000 0.380 326 G N 3.133 111.942 108.800 0.015 0.000 2.175 326 G HA2 -0.272 3.721 3.960 0.055 0.000 0.244 326 G HA3 -0.272 3.721 3.960 0.055 0.000 0.244 326 G C 0.080 175.008 174.900 0.046 0.000 0.982 326 G CA 0.153 45.267 45.100 0.024 0.000 0.641 326 G HN 0.581 nan 8.290 nan 0.000 0.527 327 M N 1.313 120.955 119.600 0.070 0.000 2.217 327 M HA 0.556 5.069 4.480 0.055 0.000 0.354 327 M C 0.911 177.277 176.300 0.110 0.000 1.225 327 M CA 0.439 55.804 55.300 0.108 0.000 1.137 327 M CB 0.589 33.288 32.600 0.165 0.000 1.576 327 M HN 0.488 nan 8.290 nan 0.000 0.461 328 R N 4.364 124.935 120.500 0.119 0.000 2.486 328 R HA 0.938 5.311 4.340 0.055 0.000 0.286 328 R C -0.857 175.550 176.300 0.178 0.000 0.999 328 R CA -0.681 55.488 56.100 0.115 0.000 0.993 328 R CB 0.844 31.198 30.300 0.091 0.000 1.084 328 R HN 0.879 nan 8.270 nan 0.000 0.487 329 L N -2.648 118.672 121.223 0.162 0.000 2.765 329 L HA 0.668 5.041 4.340 0.055 0.000 0.263 329 L C -1.140 175.807 176.870 0.128 0.000 1.068 329 L CA -1.025 53.940 54.840 0.207 0.000 0.903 329 L CB 2.019 44.302 42.059 0.372 0.000 1.512 329 L HN 0.744 nan 8.230 nan 0.000 0.404 330 E N 0.873 121.134 120.200 0.103 0.000 2.197 330 E HA 0.570 4.953 4.350 0.055 0.000 0.281 330 E C -1.127 175.511 176.600 0.064 0.000 0.995 330 E CA -0.536 55.914 56.400 0.084 0.000 0.808 330 E CB 2.898 32.653 29.700 0.092 0.000 1.093 330 E HN 0.403 nan 8.360 nan 0.000 0.394 331 V N 4.126 124.083 119.914 0.072 0.000 2.680 331 V HA 0.244 4.397 4.120 0.055 0.000 0.309 331 V C -0.318 175.786 176.094 0.017 0.000 1.052 331 V CA -0.891 61.431 62.300 0.037 0.000 0.908 331 V CB 2.075 33.915 31.823 0.028 0.000 1.001 331 V HN 0.525 nan 8.190 nan 0.000 0.431 332 V N 5.515 125.405 119.914 -0.040 0.000 2.726 332 V HA 0.008 4.161 4.120 0.055 0.000 0.304 332 V C 0.415 176.445 176.094 -0.107 0.000 1.115 332 V CA 0.533 62.801 62.300 -0.053 0.000 1.264 332 V CB 0.788 32.584 31.823 -0.045 0.000 0.867 332 V HN 1.064 nan 8.190 nan 0.000 0.498 333 D N 5.909 126.261 120.400 -0.080 0.000 2.348 333 D HA 0.229 4.902 4.640 0.055 0.000 0.259 333 D C 1.104 177.302 176.300 -0.171 0.000 1.296 333 D CA 0.672 54.566 54.000 -0.176 0.000 0.931 333 D CB 1.418 42.131 40.800 -0.145 0.000 1.067 333 D HN 0.800 nan 8.370 nan 0.000 0.503 334 K N 2.169 122.437 120.400 -0.221 0.000 2.218 334 K HA -0.184 4.169 4.320 0.055 0.000 0.205 334 K C 1.939 178.495 176.600 -0.073 0.000 1.046 334 K CA 1.954 58.160 56.287 -0.135 0.000 0.933 334 K CB -0.795 31.664 32.500 -0.068 0.000 0.728 334 K HN 0.573 nan 8.250 nan 0.000 0.454 335 S N -1.466 114.167 115.700 -0.112 0.000 2.478 335 S HA 0.056 4.559 4.470 0.055 0.000 0.222 335 S C 0.987 175.549 174.600 -0.062 0.000 1.008 335 S CA 0.635 58.788 58.200 -0.079 0.000 0.928 335 S CB 0.253 63.390 63.200 -0.105 0.000 0.781 335 S HN 0.622 nan 8.310 nan 0.000 0.518 336 Q N 1.034 120.794 119.800 -0.068 0.000 3.258 336 Q HA 0.292 4.665 4.340 0.055 0.000 0.214 336 Q C 0.214 176.213 176.000 -0.002 0.000 0.873 336 Q CA -0.267 55.514 55.803 -0.037 0.000 0.752 336 Q CB 1.563 30.267 28.738 -0.057 0.000 1.396 336 Q HN 0.305 nan 8.270 nan 0.000 0.463 337 V N -0.513 119.424 119.914 0.038 0.000 3.383 337 V HA -0.083 4.070 4.120 0.055 0.000 0.272 337 V C 1.310 177.498 176.094 0.157 0.000 1.181 337 V CA 1.791 64.143 62.300 0.088 0.000 1.171 337 V CB -0.402 31.482 31.823 0.102 0.000 0.800 337 V HN 0.586 nan 8.190 nan 0.000 0.515 338 S N 0.892 116.654 115.700 0.103 0.000 2.527 338 S HA 0.116 4.619 4.470 0.055 0.000 0.222 338 S C 0.973 175.616 174.600 0.072 0.000 0.985 338 S CA 0.055 58.291 58.200 0.060 0.000 0.921 338 S CB -0.295 62.870 63.200 -0.059 0.000 0.772 338 S HN 0.933 nan 8.310 nan 0.000 0.529 339 R N 0.984 121.578 120.500 0.157 0.000 2.854 339 R HA 0.616 4.989 4.340 0.055 0.000 0.271 339 R C -0.544 175.885 176.300 0.216 0.000 0.996 339 R CA -0.681 55.559 56.100 0.233 0.000 0.961 339 R CB 0.689 31.030 30.300 0.069 0.000 1.182 339 R HN 0.095 nan 8.270 nan 0.000 0.479 340 T N -0.922 113.724 114.554 0.153 0.000 2.824 340 T HA 0.515 4.898 4.350 0.055 0.000 0.277 340 T C 0.064 174.783 174.700 0.033 0.000 0.975 340 T CA -0.916 61.208 62.100 0.039 0.000 0.966 340 T CB 0.952 69.828 68.868 0.013 0.000 1.054 340 T HN 0.846 nan 8.240 nan 0.000 0.533 341 R N -0.227 120.297 120.500 0.039 0.000 2.764 341 R HA 0.546 4.919 4.340 0.055 0.000 0.270 341 R C -0.979 175.390 176.300 0.114 0.000 1.014 341 R CA -1.149 54.977 56.100 0.043 0.000 0.904 341 R CB 1.021 31.290 30.300 -0.050 0.000 1.236 341 R HN 0.410 nan 8.270 nan 0.000 0.466 342 M N 1.304 120.967 119.600 0.105 0.000 2.228 342 M HA 0.448 4.961 4.480 0.055 0.000 0.351 342 M C -0.149 176.248 176.300 0.161 0.000 1.233 342 M CA -0.044 55.324 55.300 0.112 0.000 1.129 342 M CB 0.807 33.456 32.600 0.081 0.000 1.604 342 M HN 0.842 nan 8.290 nan 0.000 0.457 343 A N 3.207 126.090 122.820 0.106 0.000 2.587 343 A HA 0.841 5.194 4.320 0.055 0.000 0.293 343 A C -1.400 176.189 177.584 0.009 0.000 1.087 343 A CA -0.685 51.377 52.037 0.042 0.000 0.692 343 A CB 1.600 20.557 19.000 -0.072 0.000 1.291 343 A HN 0.514 nan 8.150 nan 0.000 0.407 344 V N 1.075 120.968 119.914 -0.034 0.000 2.604 344 V HA 0.384 4.537 4.120 0.055 0.000 0.305 344 V C -0.082 175.962 176.094 -0.083 0.000 1.043 344 V CA -0.654 61.630 62.300 -0.026 0.000 0.888 344 V CB 1.853 33.671 31.823 -0.009 0.000 0.995 344 V HN 0.736 nan 8.190 nan 0.000 0.429 345 V N 3.804 123.681 119.914 -0.063 0.000 2.493 345 V HA 0.040 4.193 4.120 0.055 0.000 0.292 345 V C 0.912 176.941 176.094 -0.108 0.000 1.016 345 V CA 0.667 62.903 62.300 -0.108 0.000 1.097 345 V CB 0.833 32.624 31.823 -0.053 0.000 0.947 345 V HN 1.090 nan 8.190 nan 0.000 0.479 346 D N 2.884 123.179 120.400 -0.175 0.000 2.463 346 D HA 0.081 4.754 4.640 0.055 0.000 0.237 346 D C 0.524 176.742 176.300 -0.137 0.000 1.013 346 D CA 0.676 54.586 54.000 -0.149 0.000 0.910 346 D CB 0.725 41.412 40.800 -0.188 0.000 1.080 346 D HN 0.602 nan 8.370 nan 0.000 0.498 347 T N -0.179 114.257 114.554 -0.197 0.000 2.956 347 T HA 0.581 4.964 4.350 0.055 0.000 0.312 347 T C -1.397 173.231 174.700 -0.119 0.000 1.151 347 T CA -0.620 61.401 62.100 -0.132 0.000 1.024 347 T CB 2.392 71.171 68.868 -0.147 0.000 1.140 347 T HN -0.211 nan 8.240 nan 0.000 0.473 348 V N 3.468 123.370 119.914 -0.021 0.000 2.623 348 V HA 0.706 4.859 4.120 0.055 0.000 0.304 348 V C -0.873 175.253 176.094 0.053 0.000 1.054 348 V CA -0.766 61.527 62.300 -0.012 0.000 0.882 348 V CB 1.746 33.586 31.823 0.027 0.000 1.002 348 V HN 0.866 nan 8.190 nan 0.000 0.424 349 I N 3.533 124.136 120.570 0.053 0.000 2.563 349 I HA 0.642 4.845 4.170 0.055 0.000 0.285 349 I C 0.699 176.821 176.117 0.009 0.000 1.123 349 I CA 0.382 61.737 61.300 0.092 0.000 1.059 349 I CB 1.503 39.627 38.000 0.207 0.000 1.229 349 I HN 0.880 nan 8.210 nan 0.000 0.442 350 G N 4.541 113.332 108.800 -0.016 0.000 2.258 350 G HA2 -0.088 3.905 3.960 0.055 0.000 0.274 350 G HA3 -0.088 3.905 3.960 0.055 0.000 0.274 350 G C 1.128 175.815 174.900 -0.355 0.000 1.021 350 G CA 0.621 45.706 45.100 -0.023 0.000 0.798 350 G HN 2.182 nan 8.290 nan 0.000 0.507 351 G N -1.817 106.330 108.800 -1.088 0.000 2.217 351 G HA2 -0.253 3.740 3.960 0.055 0.000 0.246 351 G HA3 -0.253 3.740 3.960 0.055 0.000 0.246 351 G C 0.493 174.940 174.900 -0.755 0.000 0.990 351 G CA 0.796 45.243 45.100 -1.089 0.000 0.627 351 G HN 0.985 nan 8.290 nan 0.000 0.522 352 R N -0.161 120.146 120.500 -0.322 0.000 2.457 352 R HA 0.717 5.090 4.340 0.055 0.000 0.284 352 R C -0.135 176.093 176.300 -0.120 0.000 1.024 352 R CA -0.413 55.594 56.100 -0.154 0.000 1.025 352 R CB 0.990 31.322 30.300 0.052 0.000 1.063 352 R HN 0.237 nan 8.270 nan 0.000 0.493 353 L N 2.076 123.207 121.223 -0.155 0.000 2.341 353 L HA 0.512 4.886 4.340 0.055 0.000 0.278 353 L C 0.112 176.714 176.870 -0.447 0.000 1.005 353 L CA -0.774 53.897 54.840 -0.281 0.000 0.818 353 L CB 1.975 43.795 42.059 -0.398 0.000 1.259 353 L HN 0.397 nan 8.230 nan 0.000 0.418 354 R N 3.530 123.541 120.500 -0.815 0.000 2.207 354 R HA 0.584 4.957 4.340 0.055 0.000 0.334 354 R C -1.277 174.631 176.300 -0.653 0.000 1.013 354 R CA -0.468 54.888 56.100 -1.239 0.000 0.858 354 R CB 0.656 30.003 30.300 -1.589 0.000 1.094 354 R HN 0.586 nan 8.270 nan 0.000 0.457 355 L N 5.900 126.800 121.223 -0.538 0.000 2.317 355 L HA 0.460 4.833 4.340 0.055 0.000 0.281 355 L C -0.395 176.246 176.870 -0.383 0.000 1.024 355 L CA -0.840 53.777 54.840 -0.371 0.000 0.810 355 L CB 1.672 43.554 42.059 -0.294 0.000 1.240 355 L HN 0.476 nan 8.230 nan 0.000 0.427 356 L N 2.848 123.906 121.223 -0.276 0.000 2.307 356 L HA 0.407 4.780 4.340 0.055 0.000 0.284 356 L C -0.850 175.937 176.870 -0.138 0.000 1.023 356 L CA -0.779 53.942 54.840 -0.199 0.000 0.810 356 L CB 1.332 43.329 42.059 -0.103 0.000 1.231 356 L HN 0.383 nan 8.230 nan 0.000 0.423 357 Y N 2.058 122.351 120.300 -0.012 0.000 2.465 357 Y HA -0.008 4.576 4.550 0.057 0.000 0.331 357 Y C 1.469 177.365 175.900 -0.007 0.000 1.102 357 Y CA -0.067 58.027 58.100 -0.010 0.000 1.358 357 Y CB 0.484 38.937 38.460 -0.012 0.000 1.213 357 Y HN 0.611 nan 8.280 nan 0.000 0.525 358 E N 1.138 121.438 120.200 0.166 0.000 2.160 358 E HA -0.217 4.166 4.350 0.055 0.000 0.195 358 E C 0.440 177.081 176.600 0.069 0.000 0.991 358 E CA 1.603 58.056 56.400 0.090 0.000 0.810 358 E CB 0.111 29.854 29.700 0.072 0.000 0.742 358 E HN 0.777 nan 8.360 nan 0.000 0.466 359 D N -1.097 119.342 120.400 0.065 0.000 2.342 359 D HA 0.099 4.772 4.640 0.055 0.000 0.221 359 D C 0.659 176.975 176.300 0.028 0.000 1.101 359 D CA 0.061 54.079 54.000 0.030 0.000 0.837 359 D CB 0.565 41.366 40.800 0.002 0.000 0.938 359 D HN 0.108 nan 8.370 nan 0.000 0.508 360 G N -1.012 107.823 108.800 0.059 0.000 3.340 360 G HA2 0.595 4.588 3.960 0.055 0.000 0.176 360 G HA3 0.595 4.588 3.960 0.055 0.000 0.176 360 G C -1.017 173.918 174.900 0.058 0.000 1.103 360 G CA -0.310 44.822 45.100 0.054 0.000 0.779 360 G HN 0.125 nan 8.290 nan 0.000 0.673 361 D N -2.436 118.005 120.400 0.069 0.000 8.351 361 D HA -0.138 4.535 4.640 0.055 0.000 0.322 361 D C 0.928 177.254 176.300 0.044 0.000 2.646 361 D CA 0.407 54.443 54.000 0.060 0.000 2.079 361 D CB -0.588 40.237 40.800 0.042 0.000 1.165 361 D HN 0.274 nan 8.370 nan 0.000 1.064 362 S N -0.436 115.285 115.700 0.034 0.000 2.446 362 S HA 0.064 4.567 4.470 0.055 0.000 0.225 362 S C 1.064 175.682 174.600 0.031 0.000 1.016 362 S CA 1.782 59.998 58.200 0.026 0.000 0.943 362 S CB -0.110 63.101 63.200 0.018 0.000 0.786 362 S HN 0.530 nan 8.310 nan 0.000 0.508 363 D N 0.670 121.097 120.400 0.045 0.000 2.706 363 D HA 0.295 4.968 4.640 0.055 0.000 0.236 363 D C -0.321 176.029 176.300 0.084 0.000 1.231 363 D CA -0.320 53.716 54.000 0.059 0.000 0.828 363 D CB -0.121 40.712 40.800 0.054 0.000 1.015 363 D HN 0.166 nan 8.370 nan 0.000 0.484 364 D N 0.642 121.100 120.400 0.096 0.000 2.412 364 D HA 0.263 4.936 4.640 0.055 0.000 0.276 364 D C -0.959 175.449 176.300 0.181 0.000 1.196 364 D CA -0.414 53.687 54.000 0.168 0.000 0.905 364 D CB 0.659 41.565 40.800 0.178 0.000 1.081 364 D HN 0.481 nan 8.370 nan 0.000 0.502 365 D N 0.130 120.605 120.400 0.124 0.000 2.689 365 D HA 0.609 5.283 4.640 0.055 0.000 0.255 365 D C -1.078 175.249 176.300 0.045 0.000 1.113 365 D CA -0.832 53.138 54.000 -0.050 0.000 1.115 365 D CB 0.888 41.622 40.800 -0.110 0.000 1.334 365 D HN 0.077 nan 8.370 nan 0.000 0.621 366 F N -0.719 119.029 119.950 -0.336 0.000 2.670 366 F HA 0.427 4.988 4.527 0.056 0.000 0.332 366 F C -2.226 173.438 175.800 -0.227 0.000 1.179 366 F CA -1.103 56.779 58.000 -0.197 0.000 1.076 366 F CB 1.073 39.889 39.000 -0.306 0.000 1.322 366 F HN 0.354 nan 8.300 nan 0.000 0.515 367 W N 6.086 126.950 121.300 -0.726 0.000 2.496 367 W HA 0.655 5.345 4.660 0.051 0.000 0.327 367 W C -0.298 175.756 176.519 -0.775 0.000 1.086 367 W CA -0.247 56.764 57.345 -0.557 0.000 1.222 367 W CB 1.647 30.908 29.460 -0.333 0.000 1.304 367 W HN 0.853 nan 8.180 nan 0.000 0.547 368 C N 0.029 119.202 119.300 -0.212 0.000 3.320 368 C HA 0.475 4.968 4.460 0.055 0.000 0.335 368 C C -0.427 174.512 174.990 -0.085 0.000 1.430 368 C CA -1.047 57.863 59.018 -0.181 0.000 1.271 368 C CB 1.358 29.013 27.740 -0.142 0.000 1.609 368 C HN 0.777 nan 8.230 nan 0.000 0.457 369 H N 1.355 120.344 119.070 -0.136 0.000 2.547 369 H HA 0.284 4.873 4.556 0.055 0.000 0.362 369 H C 1.312 176.542 175.328 -0.162 0.000 1.181 369 H CA 0.617 56.573 56.048 -0.152 0.000 1.376 369 H CB 1.580 31.236 29.762 -0.178 0.000 1.488 369 H HN 0.937 nan 8.280 nan 0.000 0.583 370 M N 0.994 120.248 119.600 -0.576 0.000 2.358 370 M HA -0.079 4.434 4.480 0.055 0.000 0.264 370 M C 0.366 176.768 176.300 0.169 0.000 1.064 370 M CA 1.174 56.266 55.300 -0.346 0.000 1.093 370 M CB -0.027 32.401 32.600 -0.287 0.000 1.401 370 M HN 0.337 nan 8.290 nan 0.000 0.440 371 W N 2.130 123.550 121.300 0.200 0.000 3.345 371 W HA 0.383 5.078 4.660 0.057 0.000 0.282 371 W C 0.899 177.452 176.519 0.058 0.000 1.302 371 W CA -1.137 56.302 57.345 0.158 0.000 1.724 371 W CB -1.136 28.424 29.460 0.167 0.000 1.104 371 W HN 0.206 nan 8.180 nan 0.000 0.694 372 S N 2.839 118.671 115.700 0.220 0.000 2.563 372 S HA 0.000 4.503 4.470 0.055 0.000 0.294 372 S C -0.661 173.966 174.600 0.045 0.000 1.279 372 S CA -0.698 57.563 58.200 0.103 0.000 1.069 372 S CB 1.034 64.268 63.200 0.057 0.000 0.828 372 S HN -0.076 nan 8.310 nan 0.000 0.497 373 P HA 0.006 nan 4.420 nan 0.000 0.239 373 P C 0.690 177.931 177.300 -0.099 0.000 1.184 373 P CA 0.740 63.850 63.100 0.016 0.000 0.760 373 P CB -0.027 31.755 31.700 0.136 0.000 0.884 374 L N -0.841 120.338 121.223 -0.073 0.000 2.592 374 L HA 0.215 4.588 4.340 0.055 0.000 0.227 374 L C 1.294 178.020 176.870 -0.241 0.000 1.127 374 L CA -0.029 54.771 54.840 -0.066 0.000 0.884 374 L CB -0.294 41.821 42.059 0.093 0.000 1.065 374 L HN -0.027 nan 8.230 nan 0.000 0.457 375 I N -4.036 116.266 120.570 -0.446 0.000 2.740 375 I HA 0.569 4.772 4.170 0.055 0.000 0.303 375 I C -0.707 174.932 176.117 -0.797 0.000 1.044 375 I CA -0.638 60.449 61.300 -0.355 0.000 1.064 375 I CB 2.201 40.191 38.000 -0.016 0.000 1.249 375 I HN -0.126 nan 8.210 nan 0.000 0.433 376 H N 1.324 120.200 119.070 -0.323 0.000 3.064 376 H HA 0.435 5.025 4.556 0.056 0.000 0.352 376 H C -2.880 171.890 175.328 -0.932 0.000 1.260 376 H CA -1.379 54.116 56.048 -0.922 0.000 1.160 376 H CB 2.339 31.377 29.762 -1.207 0.000 1.879 376 H HN 0.434 nan 8.280 nan 0.000 0.544 377 P HA 0.036 nan 4.420 nan 0.000 0.276 377 P C 0.199 177.447 177.300 -0.087 0.000 1.244 377 P CA -0.518 62.253 63.100 -0.549 0.000 0.801 377 P CB 1.156 32.620 31.700 -0.393 0.000 1.006 378 V N -1.634 118.306 119.914 0.044 0.000 2.617 378 V HA 0.393 4.546 4.120 0.055 0.000 0.304 378 V C 1.392 177.530 176.094 0.072 0.000 1.040 378 V CA 0.868 63.212 62.300 0.074 0.000 1.149 378 V CB -0.763 31.110 31.823 0.084 0.000 0.914 378 V HN 1.037 nan 8.190 nan 0.000 0.487 379 G N 3.119 111.964 108.800 0.076 0.000 2.234 379 G HA2 -0.333 3.661 3.960 0.055 0.000 0.235 379 G HA3 -0.333 3.661 3.960 0.055 0.000 0.235 379 G C 0.422 175.354 174.900 0.053 0.000 0.997 379 G CA 0.783 45.914 45.100 0.051 0.000 0.623 379 G HN 1.434 nan 8.290 nan 0.000 0.514 380 W N 2.103 123.333 121.300 -0.115 0.000 2.355 380 W HA 0.015 4.709 4.660 0.057 0.000 0.309 380 W C 2.448 178.851 176.519 -0.193 0.000 1.206 380 W CA 2.820 60.064 57.345 -0.169 0.000 1.284 380 W CB -0.378 28.938 29.460 -0.240 0.000 1.145 380 W HN 0.221 nan 8.180 nan 0.000 0.502 381 S N 0.022 115.707 115.700 -0.024 0.000 2.368 381 S HA -0.230 4.273 4.470 0.055 0.000 0.225 381 S C 1.929 176.348 174.600 -0.301 0.000 1.030 381 S CA 1.580 59.621 58.200 -0.264 0.000 0.999 381 S CB -0.614 62.603 63.200 0.029 0.000 0.844 381 S HN 0.267 nan 8.310 nan 0.000 0.459 382 R N 0.822 121.222 120.500 -0.167 0.000 2.066 382 R HA 0.118 4.491 4.340 0.055 0.000 0.232 382 R C 2.457 178.651 176.300 -0.177 0.000 1.131 382 R CA 1.512 57.533 56.100 -0.132 0.000 0.955 382 R CB -0.846 29.413 30.300 -0.068 0.000 0.851 382 R HN 0.525 nan 8.270 nan 0.000 0.432 383 R N 0.348 120.724 120.500 -0.206 0.000 2.083 383 R HA -0.131 4.243 4.340 0.055 0.000 0.237 383 R C 2.283 178.412 176.300 -0.284 0.000 1.137 383 R CA 2.300 58.277 56.100 -0.205 0.000 0.951 383 R CB -0.448 29.744 30.300 -0.180 0.000 0.851 383 R HN 0.439 nan 8.270 nan 0.000 0.434 384 V N -3.406 116.200 119.914 -0.512 0.000 3.406 384 V HA 0.334 4.487 4.120 0.055 0.000 0.263 384 V C 1.034 176.931 176.094 -0.328 0.000 1.172 384 V CA 0.979 62.986 62.300 -0.487 0.000 1.140 384 V CB 0.332 31.666 31.823 -0.815 0.000 0.784 384 V HN 0.531 nan 8.190 nan 0.000 0.467 385 G N -0.183 108.444 108.800 -0.288 0.000 2.134 385 G HA2 -0.234 3.759 3.960 0.055 0.000 0.209 385 G HA3 -0.234 3.759 3.960 0.055 0.000 0.209 385 G C 0.061 174.879 174.900 -0.137 0.000 0.993 385 G CA 0.258 45.259 45.100 -0.165 0.000 0.669 385 G HN 0.882 nan 8.290 nan 0.000 0.519 386 H N 1.070 119.958 119.070 -0.303 0.000 2.582 386 H HA 0.510 5.100 4.556 0.056 0.000 0.345 386 H C 1.173 176.441 175.328 -0.099 0.000 1.104 386 H CA 0.725 56.662 56.048 -0.185 0.000 1.390 386 H CB 0.949 30.551 29.762 -0.266 0.000 1.461 386 H HN 0.382 nan 8.280 nan 0.000 0.551 387 G N 3.995 112.789 108.800 -0.009 0.000 2.491 387 G HA2 0.290 4.283 3.960 0.055 0.000 0.238 387 G HA3 0.290 4.283 3.960 0.055 0.000 0.238 387 G C -0.367 174.640 174.900 0.179 0.000 1.277 387 G CA -0.367 44.758 45.100 0.041 0.000 0.851 387 G HN 0.656 nan 8.290 nan 0.000 0.573 388 I N 0.817 121.431 120.570 0.074 0.000 2.533 388 I HA 0.372 4.575 4.170 0.055 0.000 0.290 388 I C 1.222 177.351 176.117 0.020 0.000 1.056 388 I CA -1.072 60.266 61.300 0.064 0.000 1.057 388 I CB 1.857 39.886 38.000 0.049 0.000 1.240 388 I HN 0.698 nan 8.210 nan 0.000 0.423 389 K N 6.142 126.548 120.400 0.009 0.000 2.034 389 K HA -0.071 4.282 4.320 0.055 0.000 0.214 389 K C 0.221 176.812 176.600 -0.015 0.000 1.051 389 K CA 1.679 57.955 56.287 -0.019 0.000 0.931 389 K CB 0.144 32.620 32.500 -0.040 0.000 0.715 389 K HN 0.709 nan 8.250 nan 0.000 0.446 390 M N 0.108 119.707 119.600 -0.002 0.000 2.414 390 M HA 0.150 4.663 4.480 0.055 0.000 0.287 390 M C -1.106 175.202 176.300 0.012 0.000 1.181 390 M CA -0.498 54.803 55.300 0.001 0.000 0.933 390 M CB 2.322 34.921 32.600 -0.001 0.000 1.732 390 M HN 0.044 nan 8.290 nan 0.000 0.486 409 D N 1.762 122.215 120.400 0.088 0.000 2.277 409 D HA 0.559 5.232 4.640 0.055 0.000 0.249 409 D C 0.600 176.990 176.300 0.151 0.000 1.134 409 D CA 0.654 54.726 54.000 0.120 0.000 0.863 409 D CB 1.777 42.641 40.800 0.107 0.000 1.143 409 D HN 1.072 nan 8.370 nan 0.000 0.458 410 A N 2.424 125.376 122.820 0.220 0.000 2.566 410 A HA 0.112 4.465 4.320 0.055 0.000 0.245 410 A C 0.467 178.240 177.584 0.314 0.000 1.056 410 A CA -0.147 52.044 52.037 0.256 0.000 0.757 410 A CB 0.224 19.475 19.000 0.420 0.000 0.979 410 A HN 0.434 nan 8.150 nan 0.000 0.508 411 V N 6.076 126.113 119.914 0.204 0.000 2.637 411 V HA 0.125 4.278 4.120 0.055 0.000 0.296 411 V C -0.870 175.421 176.094 0.329 0.000 1.046 411 V CA -0.689 61.739 62.300 0.214 0.000 1.066 411 V CB 1.423 33.336 31.823 0.151 0.000 0.968 411 V HN 0.919 nan 8.190 nan 0.000 0.483 412 P HA -0.207 nan 4.420 nan 0.000 0.223 412 P C 1.211 178.721 177.300 0.351 0.000 1.144 412 P CA 1.237 64.508 63.100 0.285 0.000 0.783 412 P CB 0.069 31.862 31.700 0.155 0.000 0.771 413 Y N 0.793 121.194 120.300 0.167 0.000 2.352 413 Y HA -0.090 4.492 4.550 0.054 0.000 0.292 413 Y C 1.982 177.920 175.900 0.065 0.000 1.136 413 Y CA 0.849 59.009 58.100 0.100 0.000 1.227 413 Y CB -0.924 37.565 38.460 0.048 0.000 0.991 413 Y HN -0.263 nan 8.280 nan 0.000 0.545 414 L N -0.259 120.863 121.223 -0.169 0.000 2.191 414 L HA -0.115 4.258 4.340 0.055 0.000 0.212 414 L C 0.260 176.870 176.870 -0.433 0.000 1.103 414 L CA 1.178 55.706 54.840 -0.521 0.000 0.769 414 L CB -1.042 40.502 42.059 -0.858 0.000 0.908 414 L HN 0.054 nan 8.230 nan 0.000 0.438 415 F N -0.515 119.378 119.950 -0.095 0.000 2.375 415 F HA 0.265 4.827 4.527 0.058 0.000 0.333 415 F C 0.994 176.752 175.800 -0.071 0.000 1.104 415 F CA -0.982 57.045 58.000 0.045 0.000 1.149 415 F CB 0.357 39.379 39.000 0.038 0.000 1.190 415 F HN -0.304 nan 8.300 nan 0.000 0.533 416 K N 4.045 124.486 120.400 0.069 0.000 2.419 416 K HA 0.033 4.386 4.320 0.055 0.000 0.282 416 K C -0.572 175.981 176.600 -0.079 0.000 1.056 416 K CA 0.016 56.205 56.287 -0.165 0.000 1.035 416 K CB 0.058 32.373 32.500 -0.307 0.000 0.921 416 K HN 0.320 nan 8.250 nan 0.000 0.472 417 K N 3.127 123.469 120.400 -0.096 0.000 2.118 417 K HA 0.230 4.583 4.320 0.055 0.000 0.264 417 K C -0.107 176.430 176.600 -0.106 0.000 1.000 417 K CA -0.832 55.427 56.287 -0.047 0.000 0.929 417 K CB 1.006 33.503 32.500 -0.005 0.000 1.021 417 K HN 0.462 nan 8.250 nan 0.000 0.463 418 V N -0.571 119.261 119.914 -0.138 0.000 2.785 418 V HA 0.362 4.515 4.120 0.055 0.000 0.300 418 V C 0.420 176.412 176.094 -0.169 0.000 1.062 418 V CA -1.107 61.043 62.300 -0.251 0.000 1.029 418 V CB 0.610 32.035 31.823 -0.663 0.000 1.024 418 V HN 0.593 nan 8.190 nan 0.000 0.477 419 R N 2.536 122.970 120.500 -0.110 0.000 2.523 419 R HA 0.327 4.700 4.340 0.055 0.000 0.281 419 R C 0.623 176.912 176.300 -0.019 0.000 0.969 419 R CA 1.058 57.144 56.100 -0.024 0.000 1.093 419 R CB -0.291 30.027 30.300 0.029 0.000 0.917 419 R HN 1.211 nan 8.270 nan 0.000 0.408 420 A N 3.576 126.372 122.820 -0.040 0.000 2.540 420 A HA 0.208 4.561 4.320 0.055 0.000 0.239 420 A C -0.429 177.028 177.584 -0.212 0.000 1.061 420 A CA -0.226 51.709 52.037 -0.171 0.000 0.758 420 A CB 0.430 19.281 19.000 -0.248 0.000 0.991 420 A HN 0.468 nan 8.150 nan 0.000 0.502 421 V N 3.758 123.507 119.914 -0.275 0.000 2.384 421 V HA 0.353 4.507 4.120 0.055 0.000 0.287 421 V C -0.994 174.900 176.094 -0.333 0.000 1.020 421 V CA -0.273 61.942 62.300 -0.142 0.000 0.850 421 V CB 0.670 32.554 31.823 0.101 0.000 0.987 421 V HN 0.725 nan 8.190 nan 0.000 0.436 422 Y N 2.337 122.667 120.300 0.050 0.000 2.341 422 Y HA 0.641 5.224 4.550 0.055 0.000 0.337 422 Y C 0.573 176.505 175.900 0.054 0.000 1.014 422 Y CA -0.483 57.630 58.100 0.023 0.000 1.111 422 Y CB 2.089 40.559 38.460 0.017 0.000 1.194 422 Y HN 0.592 nan 8.280 nan 0.000 0.462 423 T N 1.018 115.675 114.554 0.171 0.000 2.893 423 T HA 0.688 5.071 4.350 0.055 0.000 0.291 423 T C -0.905 173.851 174.700 0.093 0.000 1.028 423 T CA -0.474 61.709 62.100 0.139 0.000 0.995 423 T CB 1.161 70.145 68.868 0.194 0.000 1.051 423 T HN 0.797 nan 8.240 nan 0.000 0.470 424 E N 1.432 121.670 120.200 0.064 0.000 2.146 424 E HA 0.629 5.012 4.350 0.055 0.000 0.282 424 E C 0.888 177.503 176.600 0.025 0.000 0.989 424 E CA -0.178 56.245 56.400 0.038 0.000 0.799 424 E CB 0.263 29.979 29.700 0.026 0.000 1.088 424 E HN 1.841 nan 8.360 nan 0.000 0.397 425 G N 1.217 110.031 108.800 0.022 0.000 2.527 425 G HA2 0.265 4.258 3.960 0.055 0.000 0.227 425 G HA3 0.265 4.258 3.960 0.055 0.000 0.227 425 G C 0.892 175.811 174.900 0.031 0.000 1.291 425 G CA 0.035 45.144 45.100 0.014 0.000 0.904 425 G HN 1.558 nan 8.290 nan 0.000 0.577 426 G N -1.181 107.633 108.800 0.023 0.000 2.588 426 G HA2 0.481 4.474 3.960 0.055 0.000 0.278 426 G HA3 0.481 4.474 3.960 0.055 0.000 0.278 426 G C 0.208 175.184 174.900 0.127 0.000 1.307 426 G CA 0.448 45.584 45.100 0.059 0.000 1.016 426 G HN 0.993 nan 8.290 nan 0.000 0.503 427 W N -0.875 120.355 121.300 -0.116 0.000 2.848 427 W HA 0.588 5.281 4.660 0.055 0.000 0.396 427 W C -0.606 175.807 176.519 -0.178 0.000 1.553 427 W CA -1.199 56.062 57.345 -0.140 0.000 1.488 427 W CB 0.909 30.343 29.460 -0.043 0.000 1.732 427 W HN 0.263 nan 8.180 nan 0.000 0.681 428 F N 2.241 121.613 119.950 -0.963 0.000 2.490 428 F HA 0.067 4.627 4.527 0.055 0.000 0.336 428 F C 0.263 175.882 175.800 -0.301 0.000 1.178 428 F CA 0.784 58.365 58.000 -0.699 0.000 1.301 428 F CB 0.393 38.809 39.000 -0.973 0.000 1.175 428 F HN 0.076 nan 8.300 nan 0.000 0.593 429 E N 0.257 120.448 120.200 -0.015 0.000 2.314 429 E HA 0.211 4.594 4.350 0.055 0.000 0.272 429 E C -1.252 175.331 176.600 -0.027 0.000 0.884 429 E CA -1.071 55.330 56.400 0.001 0.000 0.753 429 E CB 1.575 31.274 29.700 -0.002 0.000 1.213 429 E HN 0.485 nan 8.360 nan 0.000 0.432 430 E N 0.611 120.785 120.200 -0.043 0.000 3.056 430 E HA -0.060 4.323 4.350 0.055 0.000 0.264 430 E C 0.845 177.412 176.600 -0.056 0.000 0.899 430 E CA 1.401 57.754 56.400 -0.078 0.000 0.966 430 E CB 0.040 29.698 29.700 -0.071 0.000 0.913 430 E HN 0.881 nan 8.360 nan 0.000 0.522 431 G N 2.774 111.532 108.800 -0.070 0.000 2.234 431 G HA2 -0.310 3.684 3.960 0.055 0.000 0.235 431 G HA3 -0.310 3.684 3.960 0.055 0.000 0.235 431 G C 0.363 175.261 174.900 -0.003 0.000 0.997 431 G CA -0.030 45.049 45.100 -0.036 0.000 0.623 431 G HN 0.439 nan 8.290 nan 0.000 0.514 432 M N 1.229 120.829 119.600 0.000 0.000 2.248 432 M HA 0.313 4.826 4.480 0.055 0.000 0.337 432 M C 0.496 176.845 176.300 0.082 0.000 1.121 432 M CA 0.454 55.775 55.300 0.034 0.000 1.155 432 M CB 0.523 33.145 32.600 0.035 0.000 1.514 432 M HN -0.014 nan 8.290 nan 0.000 0.452 433 K N 3.378 123.851 120.400 0.121 0.000 2.118 433 K HA 0.765 5.118 4.320 0.055 0.000 0.254 433 K C -0.804 175.884 176.600 0.145 0.000 0.961 433 K CA -0.638 55.787 56.287 0.229 0.000 0.876 433 K CB 1.749 34.528 32.500 0.464 0.000 1.077 433 K HN 0.445 nan 8.250 nan 0.000 0.440 434 L N -1.703 119.662 121.223 0.238 0.000 2.816 434 L HA 0.556 4.929 4.340 0.055 0.000 0.262 434 L C -0.735 176.316 176.870 0.300 0.000 1.106 434 L CA -0.968 53.956 54.840 0.139 0.000 0.973 434 L CB -0.085 42.116 42.059 0.235 0.000 1.570 434 L HN 0.569 nan 8.230 nan 0.000 0.379 435 E N -0.101 120.229 120.200 0.217 0.000 2.227 435 E HA 0.881 5.264 4.350 0.055 0.000 0.268 435 E C -1.118 175.651 176.600 0.282 0.000 0.907 435 E CA -0.947 55.632 56.400 0.298 0.000 0.786 435 E CB 2.482 32.366 29.700 0.306 0.000 1.191 435 E HN 0.929 nan 8.360 nan 0.000 0.411 436 A N 2.319 125.305 122.820 0.277 0.000 2.547 436 A HA 0.449 4.802 4.320 0.055 0.000 0.297 436 A C -0.790 176.921 177.584 0.211 0.000 1.056 436 A CA -0.765 51.382 52.037 0.183 0.000 0.688 436 A CB 0.686 19.862 19.000 0.293 0.000 1.282 436 A HN 0.610 nan 8.150 nan 0.000 0.400 437 I N 1.994 122.658 120.570 0.156 0.000 2.668 437 I HA -0.019 4.184 4.170 0.055 0.000 0.285 437 I C 0.189 176.365 176.117 0.097 0.000 1.168 437 I CA 0.196 61.592 61.300 0.159 0.000 1.424 437 I CB 0.380 38.488 38.000 0.180 0.000 1.377 437 I HN 0.612 nan 8.210 nan 0.000 0.560 438 D N 10.328 130.754 120.400 0.043 0.000 2.346 438 D HA 0.055 4.728 4.640 0.055 0.000 0.260 438 D C -1.319 174.899 176.300 -0.137 0.000 1.252 438 D CA -2.140 51.798 54.000 -0.103 0.000 0.895 438 D CB 1.062 41.853 40.800 -0.015 0.000 1.097 438 D HN 0.281 nan 8.370 nan 0.000 0.489 439 P HA -0.084 nan 4.420 nan 0.000 0.230 439 P C 1.161 178.401 177.300 -0.101 0.000 1.158 439 P CA 0.645 63.621 63.100 -0.207 0.000 0.769 439 P CB 0.342 31.806 31.700 -0.392 0.000 0.807 440 L N -1.989 119.176 121.223 -0.097 0.000 2.554 440 L HA 0.261 4.635 4.340 0.055 0.000 0.225 440 L C 0.901 177.760 176.870 -0.019 0.000 1.104 440 L CA 0.240 55.060 54.840 -0.034 0.000 0.866 440 L CB -0.228 41.821 42.059 -0.016 0.000 1.047 440 L HN -0.067 nan 8.230 nan 0.000 0.468 441 N N 0.265 118.956 118.700 -0.015 0.000 2.653 441 N HA 0.209 4.982 4.740 0.055 0.000 0.261 441 N C 0.207 175.747 175.510 0.049 0.000 1.216 441 N CA -0.138 52.915 53.050 0.006 0.000 0.784 441 N CB 1.258 39.746 38.487 0.002 0.000 1.327 441 N HN 0.006 nan 8.380 nan 0.000 0.539 442 L N 0.727 121.989 121.223 0.064 0.000 2.549 442 L HA 0.133 4.506 4.340 0.055 0.000 0.229 442 L C 2.202 179.185 176.870 0.188 0.000 1.158 442 L CA 1.047 55.966 54.840 0.130 0.000 0.842 442 L CB 0.116 42.244 42.059 0.115 0.000 0.952 442 L HN 0.478 nan 8.230 nan 0.000 0.452 443 G N -0.519 108.350 108.800 0.115 0.000 2.572 443 G HA2 -0.080 3.913 3.960 0.055 0.000 0.216 443 G HA3 -0.080 3.913 3.960 0.055 0.000 0.216 443 G C 0.446 175.505 174.900 0.265 0.000 1.133 443 G CA -0.089 45.070 45.100 0.097 0.000 0.791 443 G HN 0.416 nan 8.290 nan 0.000 0.538 444 N N -0.229 118.613 118.700 0.235 0.000 2.372 444 N HA 0.533 5.307 4.740 0.055 0.000 0.291 444 N C -1.272 174.336 175.510 0.163 0.000 1.024 444 N CA -0.537 52.625 53.050 0.187 0.000 0.873 444 N CB 2.244 40.782 38.487 0.085 0.000 1.206 444 N HN -0.058 nan 8.380 nan 0.000 0.486 445 I N 2.474 123.091 120.570 0.078 0.000 2.339 445 I HA 0.369 4.572 4.170 0.055 0.000 0.290 445 I C -0.418 175.703 176.117 0.007 0.000 0.994 445 I CA -0.611 60.694 61.300 0.008 0.000 1.191 445 I CB 0.853 38.733 38.000 -0.200 0.000 1.343 445 I HN 0.486 nan 8.210 nan 0.000 0.458 446 C N 5.050 124.383 119.300 0.054 0.000 2.667 446 C HA 0.428 4.921 4.460 0.055 0.000 0.323 446 C C 0.330 175.343 174.990 0.039 0.000 1.214 446 C CA -0.929 58.092 59.018 0.005 0.000 1.721 446 C CB 1.618 29.378 27.740 0.034 0.000 2.275 446 C HN 0.426 nan 8.230 nan 0.000 0.491 447 V N 2.662 122.502 119.914 -0.123 0.000 2.475 447 V HA 0.365 4.518 4.120 0.055 0.000 0.292 447 V C 0.714 176.863 176.094 0.092 0.000 1.003 447 V CA 0.936 63.177 62.300 -0.100 0.000 1.120 447 V CB -0.651 30.794 31.823 -0.630 0.000 0.937 447 V HN 1.091 nan 8.190 nan 0.000 0.476 448 A N 4.856 127.821 122.820 0.242 0.000 2.486 448 A HA 0.955 5.309 4.320 0.055 0.000 0.289 448 A C -0.275 177.431 177.584 0.202 0.000 1.176 448 A CA -0.652 51.511 52.037 0.210 0.000 0.757 448 A CB 2.148 21.291 19.000 0.239 0.000 1.337 448 A HN 0.624 nan 8.150 nan 0.000 0.423 449 T N 0.422 115.018 114.554 0.069 0.000 2.916 449 T HA 0.478 4.861 4.350 0.055 0.000 0.298 449 T C -0.657 173.949 174.700 -0.156 0.000 1.031 449 T CA -0.419 61.680 62.100 -0.000 0.000 0.993 449 T CB 1.440 70.292 68.868 -0.027 0.000 1.045 449 T HN 0.608 nan 8.240 nan 0.000 0.454 450 V N 2.376 122.204 119.914 -0.144 0.000 2.485 450 V HA 0.032 4.186 4.120 0.055 0.000 0.287 450 V C 0.901 176.784 176.094 -0.352 0.000 1.022 450 V CA 0.060 62.209 62.300 -0.251 0.000 1.067 450 V CB 0.113 31.832 31.823 -0.174 0.000 0.967 450 V HN 1.170 nan 8.190 nan 0.000 0.479 451 C N 3.700 122.648 119.300 -0.588 0.000 3.019 451 C HA 0.422 4.915 4.460 0.055 0.000 0.295 451 C C 0.787 175.345 174.990 -0.720 0.000 1.256 451 C CA -0.145 58.321 59.018 -0.919 0.000 1.706 451 C CB -0.695 25.799 27.740 -2.078 0.000 2.153 451 C HN 0.931 nan 8.230 nan 0.000 0.618 452 K N -0.105 120.023 120.400 -0.454 0.000 2.622 452 K HA 0.388 4.742 4.320 0.055 0.000 0.263 452 K C -1.910 174.610 176.600 -0.133 0.000 0.947 452 K CA -0.132 56.022 56.287 -0.221 0.000 0.885 452 K CB 0.802 33.226 32.500 -0.126 0.000 1.362 452 K HN -0.171 nan 8.250 nan 0.000 0.413 453 V N 6.033 125.919 119.914 -0.046 0.000 2.350 453 V HA 0.445 4.598 4.120 0.055 0.000 0.276 453 V C 0.166 176.289 176.094 0.048 0.000 1.028 453 V CA -0.592 61.725 62.300 0.030 0.000 0.860 453 V CB 0.620 32.510 31.823 0.112 0.000 0.990 453 V HN 0.630 nan 8.190 nan 0.000 0.453 454 L N 4.443 125.708 121.223 0.069 0.000 2.751 454 L HA 0.599 4.972 4.340 0.055 0.000 0.241 454 L C 0.092 177.004 176.870 0.070 0.000 1.146 454 L CA -0.887 53.980 54.840 0.046 0.000 0.879 454 L CB 0.610 42.688 42.059 0.031 0.000 1.687 454 L HN 0.330 nan 8.230 nan 0.000 0.527 455 L N -0.219 121.021 121.223 0.028 0.000 2.454 455 L HA 0.210 4.583 4.340 0.055 0.000 0.256 455 L C -0.065 176.883 176.870 0.131 0.000 1.136 455 L CA -0.296 54.559 54.840 0.024 0.000 0.804 455 L CB 0.445 42.481 42.059 -0.037 0.000 1.181 455 L HN 0.636 nan 8.230 nan 0.000 0.469 456 D N 0.950 121.397 120.400 0.078 0.000 2.911 456 D HA -0.182 4.491 4.640 0.055 0.000 0.227 456 D C 0.947 177.327 176.300 0.133 0.000 1.164 456 D CA 1.354 55.441 54.000 0.145 0.000 0.782 456 D CB -1.319 39.671 40.800 0.317 0.000 1.094 456 D HN 1.028 nan 8.370 nan 0.000 0.425 457 G N -1.772 107.030 108.800 0.003 0.000 2.184 457 G HA2 -0.385 3.608 3.960 0.055 0.000 0.264 457 G HA3 -0.385 3.608 3.960 0.055 0.000 0.264 457 G C 0.172 174.899 174.900 -0.287 0.000 0.975 457 G CA 0.357 45.394 45.100 -0.106 0.000 0.642 457 G HN 0.484 nan 8.290 nan 0.000 0.536 458 Y N -0.313 120.049 120.300 0.103 0.000 2.309 458 Y HA 0.655 5.238 4.550 0.055 0.000 0.327 458 Y C 1.048 176.957 175.900 0.016 0.000 1.172 458 Y CA -0.433 57.742 58.100 0.126 0.000 1.280 458 Y CB 0.896 39.531 38.460 0.291 0.000 1.234 458 Y HN 0.138 nan 8.280 nan 0.000 0.512 459 L N 3.989 125.267 121.223 0.092 0.000 2.370 459 L HA 0.486 4.859 4.340 0.055 0.000 0.266 459 L C -0.804 176.038 176.870 -0.045 0.000 1.002 459 L CA -1.057 53.729 54.840 -0.089 0.000 0.818 459 L CB 1.558 43.407 42.059 -0.350 0.000 1.325 459 L HN 0.458 nan 8.230 nan 0.000 0.418 460 M N 3.338 122.845 119.600 -0.154 0.000 2.157 460 M HA 0.466 4.979 4.480 0.055 0.000 0.354 460 M C -0.678 175.346 176.300 -0.460 0.000 1.170 460 M CA -0.367 54.788 55.300 -0.241 0.000 1.060 460 M CB 1.200 33.662 32.600 -0.230 0.000 1.615 460 M HN 0.304 nan 8.290 nan 0.000 0.460 461 I N 2.821 123.047 120.570 -0.573 0.000 2.740 461 I HA 0.571 4.774 4.170 0.055 0.000 0.303 461 I C -0.386 175.017 176.117 -1.190 0.000 1.044 461 I CA -0.312 60.574 61.300 -0.690 0.000 1.064 461 I CB 2.061 39.869 38.000 -0.321 0.000 1.249 461 I HN 0.884 nan 8.210 nan 0.000 0.433 462 C N 3.726 122.564 119.300 -0.769 0.000 2.707 462 C HA 0.820 5.313 4.460 0.055 0.000 0.313 462 C C -0.246 174.717 174.990 -0.046 0.000 1.209 462 C CA -0.911 57.800 59.018 -0.512 0.000 1.635 462 C CB 0.788 28.388 27.740 -0.234 0.000 2.206 462 C HN 0.476 nan 8.230 nan 0.000 0.485 463 V N 3.793 123.871 119.914 0.274 0.000 2.614 463 V HA 0.321 4.474 4.120 0.055 0.000 0.291 463 V C 0.325 176.510 176.094 0.151 0.000 1.049 463 V CA 0.811 63.272 62.300 0.268 0.000 1.038 463 V CB 1.060 33.061 31.823 0.297 0.000 0.980 463 V HN 1.101 nan 8.190 nan 0.000 0.481 474 W N 0.892 122.157 121.300 -0.058 0.000 2.170 474 W HA 0.645 5.338 4.660 0.055 0.000 0.336 474 W C 0.286 176.729 176.519 -0.126 0.000 1.283 474 W CA -0.938 56.264 57.345 -0.238 0.000 1.224 474 W CB -0.156 29.172 29.460 -0.221 0.000 1.132 474 W HN 0.374 nan 8.180 nan 0.000 0.571 475 F N 0.343 120.375 119.950 0.136 0.000 2.599 475 F HA 0.561 5.121 4.527 0.055 0.000 0.311 475 F C -0.855 174.924 175.800 -0.035 0.000 1.076 475 F CA -1.753 56.256 58.000 0.015 0.000 0.937 475 F CB 0.533 39.481 39.000 -0.087 0.000 1.282 475 F HN 0.213 nan 8.300 nan 0.000 0.460 476 C N 3.369 122.797 119.300 0.213 0.000 2.285 476 C HA 0.633 5.126 4.460 0.055 0.000 0.335 476 C C -0.867 174.219 174.990 0.159 0.000 1.267 476 C CA -0.486 58.675 59.018 0.239 0.000 1.762 476 C CB -1.132 26.898 27.740 0.484 0.000 2.365 476 C HN 0.799 nan 8.230 nan 0.000 0.527 477 Y N 4.312 124.778 120.300 0.276 0.000 2.446 477 Y HA 0.379 4.962 4.550 0.055 0.000 0.345 477 Y C 0.730 176.750 175.900 0.200 0.000 0.984 477 Y CA -0.716 57.515 58.100 0.218 0.000 1.058 477 Y CB 0.988 39.505 38.460 0.096 0.000 1.220 477 Y HN 0.671 nan 8.280 nan 0.000 0.455 478 H N 1.737 120.982 119.070 0.292 0.000 2.790 478 H HA 0.111 4.701 4.556 0.056 0.000 0.358 478 H C 0.646 175.892 175.328 -0.138 0.000 1.103 478 H CA 0.651 56.668 56.048 -0.051 0.000 1.426 478 H CB 1.745 31.365 29.762 -0.237 0.000 1.424 478 H HN 1.029 nan 8.280 nan 0.000 0.599 479 A N 3.202 125.614 122.820 -0.681 0.000 1.978 479 A HA -0.206 4.147 4.320 0.055 0.000 0.220 479 A C 2.350 179.773 177.584 -0.268 0.000 1.170 479 A CA 1.832 53.545 52.037 -0.540 0.000 0.636 479 A CB -0.670 18.114 19.000 -0.359 0.000 0.810 479 A HN 0.760 nan 8.150 nan 0.000 0.448 480 S N -0.382 115.280 115.700 -0.064 0.000 2.555 480 S HA 0.056 4.559 4.470 0.055 0.000 0.230 480 S C 1.015 175.466 174.600 -0.250 0.000 0.978 480 S CA 0.597 58.776 58.200 -0.035 0.000 0.934 480 S CB -0.784 62.497 63.200 0.135 0.000 0.766 480 S HN 0.555 nan 8.310 nan 0.000 0.533 481 S N 0.844 116.427 115.700 -0.194 0.000 2.552 481 S HA 0.076 4.580 4.470 0.055 0.000 0.289 481 S C 0.487 174.812 174.600 -0.459 0.000 1.304 481 S CA -0.211 57.847 58.200 -0.237 0.000 1.063 481 S CB 0.085 63.209 63.200 -0.126 0.000 0.848 481 S HN 0.595 nan 8.310 nan 0.000 0.499 482 H N 3.074 122.033 119.070 -0.185 0.000 2.539 482 H HA 0.322 4.911 4.556 0.055 0.000 0.267 482 H C 1.592 176.639 175.328 -0.468 0.000 0.982 482 H CA 0.657 56.562 56.048 -0.239 0.000 1.146 482 H CB 0.225 29.939 29.762 -0.080 0.000 1.382 482 H HN 0.664 nan 8.280 nan 0.000 0.577 483 A N 0.805 123.296 122.820 -0.548 0.000 2.275 483 A HA 0.209 4.562 4.320 0.055 0.000 0.212 483 A C 0.696 177.538 177.584 -1.237 0.000 1.201 483 A CA -0.147 51.444 52.037 -0.742 0.000 0.843 483 A CB -0.395 18.215 19.000 -0.651 0.000 0.873 483 A HN 0.431 nan 8.150 nan 0.000 0.492 484 I N -4.632 115.146 120.570 -1.320 0.000 2.740 484 I HA 0.903 5.106 4.170 0.055 0.000 0.303 484 I C -1.215 174.174 176.117 -1.214 0.000 1.044 484 I CA -1.176 59.493 61.300 -1.051 0.000 1.064 484 I CB 1.971 39.715 38.000 -0.426 0.000 1.249 484 I HN -0.043 nan 8.210 nan 0.000 0.433 485 F N 2.331 122.081 119.950 -0.334 0.000 2.654 485 F HA 0.639 5.199 4.527 0.055 0.000 0.308 485 F C -2.694 172.432 175.800 -1.123 0.000 1.108 485 F CA -2.249 55.257 58.000 -0.824 0.000 0.957 485 F CB 1.652 40.089 39.000 -0.939 0.000 1.309 485 F HN 0.273 nan 8.300 nan 0.000 0.446 486 P HA 0.261 nan 4.420 nan 0.000 0.277 486 P C -0.627 176.401 177.300 -0.453 0.000 1.240 486 P CA -0.250 62.273 63.100 -0.961 0.000 0.798 486 P CB 0.852 32.092 31.700 -0.767 0.000 0.979 487 A N 2.680 125.162 122.820 -0.562 0.000 2.616 487 A HA 0.165 4.518 4.320 0.055 0.000 0.234 487 A C 1.334 178.539 177.584 -0.632 0.000 1.024 487 A CA 1.711 53.128 52.037 -1.033 0.000 0.758 487 A CB -1.367 16.462 19.000 -1.953 0.000 0.939 487 A HN 1.019 nan 8.150 nan 0.000 0.510 488 T N -0.911 113.431 114.554 -0.353 0.000 6.424 488 T HA -0.338 4.045 4.350 0.055 0.000 0.279 488 T C 0.847 175.543 174.700 -0.007 0.000 2.176 488 T CA 1.862 63.954 62.100 -0.014 0.000 3.628 488 T CB -2.680 66.151 68.868 -0.061 0.000 1.165 488 T HN 1.690 nan 8.240 nan 0.000 1.080 489 F N 1.981 121.822 119.950 -0.181 0.000 2.063 489 F HA -0.102 4.458 4.527 0.055 0.000 0.298 489 F C 2.812 178.456 175.800 -0.260 0.000 1.109 489 F CA 2.355 60.206 58.000 -0.247 0.000 1.212 489 F CB -0.911 37.895 39.000 -0.323 0.000 0.973 489 F HN 0.553 nan 8.300 nan 0.000 0.480 490 C N 1.337 120.533 119.300 -0.174 0.000 2.413 490 C HA -0.265 4.228 4.460 0.055 0.000 0.277 490 C C 2.948 177.794 174.990 -0.240 0.000 1.228 490 C CA 1.462 60.307 59.018 -0.290 0.000 1.731 490 C CB -1.606 26.053 27.740 -0.135 0.000 2.042 490 C HN 0.725 nan 8.230 nan 0.000 0.468 491 Q N 1.367 121.121 119.800 -0.075 0.000 2.112 491 Q HA -0.261 4.112 4.340 0.055 0.000 0.206 491 Q C 2.022 177.959 176.000 -0.105 0.000 0.987 491 Q CA 2.401 58.180 55.803 -0.040 0.000 0.858 491 Q CB -0.579 28.200 28.738 0.068 0.000 0.905 491 Q HN 0.531 nan 8.270 nan 0.000 0.420 492 K N 0.407 120.712 120.400 -0.158 0.000 2.439 492 K HA 0.007 4.360 4.320 0.055 0.000 0.197 492 K C 0.751 177.210 176.600 -0.235 0.000 1.041 492 K CA 1.125 57.310 56.287 -0.170 0.000 0.970 492 K CB -0.257 32.147 32.500 -0.159 0.000 0.773 492 K HN 0.557 nan 8.250 nan 0.000 0.479 493 N N 0.433 118.914 118.700 -0.366 0.000 2.170 493 N HA 0.102 4.875 4.740 0.055 0.000 0.222 493 N C -0.920 174.437 175.510 -0.256 0.000 1.218 493 N CA 0.526 53.338 53.050 -0.397 0.000 0.889 493 N CB 0.760 38.732 38.487 -0.858 0.000 1.083 493 N HN 0.326 nan 8.380 nan 0.000 0.520 494 D N 0.713 121.003 120.400 -0.184 0.000 2.835 494 D HA -0.137 4.536 4.640 0.055 0.000 0.230 494 D C -0.746 175.508 176.300 -0.077 0.000 1.130 494 D CA 0.648 54.590 54.000 -0.097 0.000 0.738 494 D CB -1.244 39.527 40.800 -0.049 0.000 1.090 494 D HN 0.391 nan 8.370 nan 0.000 0.433 495 I N 0.403 120.884 120.570 -0.148 0.000 2.493 495 I HA 0.206 4.409 4.170 0.055 0.000 0.298 495 I C 0.827 176.910 176.117 -0.057 0.000 0.998 495 I CA -0.917 60.326 61.300 -0.094 0.000 1.137 495 I CB 1.672 39.476 38.000 -0.326 0.000 1.310 495 I HN -0.035 nan 8.210 nan 0.000 0.445 496 E N 5.592 125.809 120.200 0.028 0.000 2.299 496 E HA 0.144 4.528 4.350 0.055 0.000 0.272 496 E C -1.139 175.444 176.600 -0.027 0.000 1.043 496 E CA -0.649 55.757 56.400 0.010 0.000 0.895 496 E CB 0.973 30.700 29.700 0.045 0.000 1.011 496 E HN 0.372 nan 8.360 nan 0.000 0.432 497 L N 4.806 125.989 121.223 -0.066 0.000 2.276 497 L HA 0.269 4.642 4.340 0.055 0.000 0.286 497 L C -0.550 176.229 176.870 -0.151 0.000 1.061 497 L CA 0.022 54.794 54.840 -0.115 0.000 0.807 497 L CB 1.516 43.491 42.059 -0.140 0.000 1.177 497 L HN 0.424 nan 8.230 nan 0.000 0.429 498 T N 7.844 122.316 114.554 -0.137 0.000 2.738 498 T HA 0.305 4.688 4.350 0.055 0.000 0.294 498 T C -2.284 172.239 174.700 -0.296 0.000 0.914 498 T CA -0.708 61.303 62.100 -0.149 0.000 1.052 498 T CB 0.153 68.980 68.868 -0.069 0.000 0.897 498 T HN 0.544 nan 8.240 nan 0.000 0.522 499 P HA 0.367 nan 4.420 nan 0.000 0.279 499 P C -2.560 174.526 177.300 -0.356 0.000 1.282 499 P CA -1.565 61.172 63.100 -0.605 0.000 0.788 499 P CB -0.203 31.211 31.700 -0.476 0.000 1.139 500 P HA 0.157 nan 4.420 nan 0.000 0.293 500 P C -0.783 176.480 177.300 -0.062 0.000 1.298 500 P CA -0.410 62.608 63.100 -0.136 0.000 0.757 500 P CB -0.150 31.507 31.700 -0.072 0.000 1.262 501 K N -0.199 120.195 120.400 -0.010 0.000 2.320 501 K HA 0.446 4.799 4.320 0.055 0.000 0.273 501 K C 0.504 177.122 176.600 0.030 0.000 1.146 501 K CA 0.194 56.487 56.287 0.011 0.000 1.144 501 K CB -1.383 31.132 32.500 0.025 0.000 0.878 501 K HN 0.622 nan 8.250 nan 0.000 0.458 508 F N 6.157 126.042 119.950 -0.108 0.000 2.543 508 F HA 0.538 5.099 4.527 0.056 0.000 0.375 508 F C 0.403 176.109 175.800 -0.156 0.000 1.075 508 F CA 0.043 57.937 58.000 -0.176 0.000 1.225 508 F CB 0.467 39.294 39.000 -0.289 0.000 1.099 508 F HN 0.570 nan 8.300 nan 0.000 0.561 509 N N 5.856 124.036 118.700 -0.867 0.000 2.352 509 N HA 0.039 4.812 4.740 0.055 0.000 0.291 509 N C 0.181 175.282 175.510 -0.682 0.000 1.040 509 N CA -0.563 52.169 53.050 -0.530 0.000 0.864 509 N CB 0.802 39.151 38.487 -0.231 0.000 1.440 509 N HN 0.867 nan 8.380 nan 0.000 0.483 510 W N 1.916 123.029 121.300 -0.312 0.000 2.332 510 W HA -0.206 4.487 4.660 0.055 0.000 0.321 510 W C 2.380 178.871 176.519 -0.047 0.000 1.219 510 W CA 1.191 58.477 57.345 -0.099 0.000 1.277 510 W CB -0.008 29.512 29.460 0.099 0.000 1.161 510 W HN 0.563 nan 8.180 nan 0.000 0.476 511 E N -0.041 120.289 120.200 0.217 0.000 2.114 511 E HA -0.264 4.119 4.350 0.055 0.000 0.199 511 E C 1.498 178.132 176.600 0.056 0.000 1.008 511 E CA 1.706 58.178 56.400 0.119 0.000 0.810 511 E CB -0.904 28.836 29.700 0.066 0.000 0.739 511 E HN 0.340 nan 8.360 nan 0.000 0.456 512 N N -0.806 117.880 118.700 -0.023 0.000 2.188 512 N HA -0.089 4.684 4.740 0.055 0.000 0.184 512 N C 1.542 177.036 175.510 -0.027 0.000 1.018 512 N CA 1.230 54.249 53.050 -0.052 0.000 0.858 512 N CB -0.488 37.935 38.487 -0.107 0.000 0.989 512 N HN 0.404 nan 8.380 nan 0.000 0.426 513 Y N 1.607 121.767 120.300 -0.235 0.000 2.163 513 Y HA -0.015 4.568 4.550 0.055 0.000 0.288 513 Y C 2.131 178.044 175.900 0.023 0.000 1.136 513 Y CA 1.225 59.223 58.100 -0.170 0.000 1.147 513 Y CB -0.502 37.756 38.460 -0.336 0.000 0.987 513 Y HN -0.048 nan 8.280 nan 0.000 0.509 514 L N 0.015 121.327 121.223 0.149 0.000 2.127 514 L HA -0.194 4.179 4.340 0.055 0.000 0.211 514 L C 2.756 179.614 176.870 -0.020 0.000 1.089 514 L CA 1.661 56.551 54.840 0.084 0.000 0.757 514 L CB -1.175 41.002 42.059 0.196 0.000 0.899 514 L HN 0.423 nan 8.230 nan 0.000 0.434 515 E N 0.886 121.078 120.200 -0.014 0.000 2.028 515 E HA -0.199 4.184 4.350 0.055 0.000 0.190 515 E C 2.465 179.029 176.600 -0.060 0.000 0.984 515 E CA 1.699 58.082 56.400 -0.029 0.000 0.800 515 E CB -0.802 28.888 29.700 -0.015 0.000 0.758 515 E HN 0.513 nan 8.360 nan 0.000 0.448 516 K N 0.796 121.147 120.400 -0.081 0.000 2.063 516 K HA -0.140 4.213 4.320 0.055 0.000 0.208 516 K C 2.482 179.004 176.600 -0.130 0.000 1.048 516 K CA 2.447 58.682 56.287 -0.088 0.000 0.928 516 K CB -1.457 31.005 32.500 -0.063 0.000 0.713 516 K HN 0.737 nan 8.250 nan 0.000 0.442 517 T N -2.825 111.588 114.554 -0.234 0.000 3.081 517 T HA 0.184 4.567 4.350 0.055 0.000 0.250 517 T C 0.560 175.180 174.700 -0.133 0.000 1.100 517 T CA 0.533 62.489 62.100 -0.239 0.000 1.038 517 T CB -0.197 68.380 68.868 -0.487 0.000 0.962 517 T HN 0.546 nan 8.240 nan 0.000 0.516 518 K N 0.571 120.911 120.400 -0.100 0.000 3.181 518 K HA -0.106 4.247 4.320 0.055 0.000 0.269 518 K C -0.607 175.970 176.600 -0.039 0.000 1.097 518 K CA 0.172 56.427 56.287 -0.054 0.000 0.783 518 K CB -1.893 30.583 32.500 -0.040 0.000 1.267 518 K HN 0.426 nan 8.250 nan 0.000 0.484 519 S N -0.279 115.399 115.700 -0.037 0.000 2.638 519 S HA 0.775 5.278 4.470 0.055 0.000 0.302 519 S C -0.356 174.257 174.600 0.022 0.000 1.096 519 S CA -0.491 57.705 58.200 -0.006 0.000 0.953 519 S CB 1.846 65.046 63.200 -0.001 0.000 1.107 519 S HN 0.375 nan 8.310 nan 0.000 0.503 520 K N 0.288 120.703 120.400 0.026 0.000 2.207 520 K HA 0.878 5.231 4.320 0.055 0.000 0.255 520 K C -0.265 176.350 176.600 0.025 0.000 0.941 520 K CA -0.551 55.747 56.287 0.019 0.000 0.825 520 K CB 1.067 33.565 32.500 -0.004 0.000 1.119 520 K HN 0.981 nan 8.250 nan 0.000 0.430 521 A N 1.033 123.843 122.820 -0.016 0.000 2.401 521 A HA 0.621 4.974 4.320 0.055 0.000 0.259 521 A C 0.781 178.341 177.584 -0.040 0.000 1.103 521 A CA 0.143 52.136 52.037 -0.074 0.000 0.789 521 A CB -0.212 18.670 19.000 -0.196 0.000 1.035 521 A HN 1.926 nan 8.150 nan 0.000 0.491 522 A N 4.318 127.146 122.820 0.014 0.000 2.566 522 A HA 0.456 4.809 4.320 0.055 0.000 0.245 522 A C -2.201 175.403 177.584 0.034 0.000 1.056 522 A CA -0.695 51.354 52.037 0.021 0.000 0.757 522 A CB -0.775 18.337 19.000 0.185 0.000 0.979 522 A HN 0.624 nan 8.150 nan 0.000 0.508 523 P HA 0.097 nan 4.420 nan 0.000 0.265 523 P C 0.764 178.098 177.300 0.057 0.000 1.193 523 P CA 0.103 63.173 63.100 -0.051 0.000 0.765 523 P CB 0.742 32.374 31.700 -0.112 0.000 0.823 524 S N 2.883 118.619 115.700 0.061 0.000 2.440 524 S HA -0.202 4.301 4.470 0.055 0.000 0.238 524 S C 1.644 176.343 174.600 0.163 0.000 1.010 524 S CA 1.067 59.347 58.200 0.133 0.000 0.972 524 S CB -0.556 62.654 63.200 0.016 0.000 0.774 524 S HN 0.597 nan 8.310 nan 0.000 0.501 525 R N 1.521 122.046 120.500 0.042 0.000 2.152 525 R HA 0.016 4.389 4.340 0.055 0.000 0.232 525 R C 1.637 177.908 176.300 -0.049 0.000 1.117 525 R CA 1.102 57.207 56.100 0.008 0.000 0.981 525 R CB -0.761 29.528 30.300 -0.019 0.000 0.870 525 R HN 0.354 nan 8.270 nan 0.000 0.451 526 L N 0.195 121.288 121.223 -0.217 0.000 2.465 526 L HA 0.132 4.505 4.340 0.055 0.000 0.224 526 L C 0.224 176.821 176.870 -0.454 0.000 1.145 526 L CA 0.280 54.791 54.840 -0.549 0.000 0.834 526 L CB -0.182 41.026 42.059 -1.418 0.000 0.944 526 L HN 0.014 nan 8.230 nan 0.000 0.451 527 F N -0.515 119.377 119.950 -0.097 0.000 2.399 527 F HA 0.235 4.795 4.527 0.055 0.000 0.328 527 F C 0.766 176.557 175.800 -0.015 0.000 1.084 527 F CA -0.829 57.145 58.000 -0.043 0.000 1.053 527 F CB 0.633 39.591 39.000 -0.070 0.000 1.209 527 F HN -0.144 nan 8.300 nan 0.000 0.502 528 N N 2.754 121.539 118.700 0.141 0.000 2.589 528 N HA 0.148 4.921 4.740 0.055 0.000 0.232 528 N C 0.103 175.744 175.510 0.218 0.000 1.015 528 N CA -0.364 52.777 53.050 0.152 0.000 0.931 528 N CB 0.508 39.064 38.487 0.115 0.000 1.150 528 N HN 0.526 nan 8.380 nan 0.000 0.512 529 M N 1.460 121.187 119.600 0.212 0.000 2.514 529 M HA 0.018 4.531 4.480 0.055 0.000 0.258 529 M C 0.322 176.781 176.300 0.265 0.000 1.159 529 M CA 0.075 55.502 55.300 0.211 0.000 1.116 529 M CB -1.252 31.456 32.600 0.180 0.000 1.333 529 M HN 0.609 nan 8.290 nan 0.000 0.487 530 D N 1.265 121.803 120.400 0.230 0.000 2.128 530 D HA -0.194 4.479 4.640 0.055 0.000 0.214 530 D C -0.202 176.220 176.300 0.204 0.000 1.396 530 D CA 0.710 54.826 54.000 0.193 0.000 0.868 530 D CB -0.043 40.850 40.800 0.155 0.000 1.340 530 D HN 0.458 nan 8.370 nan 0.000 0.585 531 C N -1.985 117.390 119.300 0.125 0.000 2.781 531 C HA 0.613 5.106 4.460 0.055 0.000 0.348 531 C C -2.597 172.413 174.990 0.034 0.000 1.051 531 C CA -1.541 57.534 59.018 0.095 0.000 1.347 531 C CB -0.037 27.722 27.740 0.031 0.000 1.846 531 C HN 0.563 nan 8.230 nan 0.000 0.473 532 P HA 0.313 nan 4.420 nan 0.000 0.272 532 P C 0.381 177.629 177.300 -0.086 0.000 1.223 532 P CA 0.303 63.416 63.100 0.021 0.000 0.784 532 P CB 0.571 32.314 31.700 0.072 0.000 0.923 533 N N 0.530 119.172 118.700 -0.097 0.000 2.744 533 N HA -0.014 4.759 4.740 0.055 0.000 0.290 533 N C 0.928 176.353 175.510 -0.141 0.000 1.206 533 N CA -0.259 52.682 53.050 -0.180 0.000 1.119 533 N CB -1.299 37.129 38.487 -0.098 0.000 1.449 533 N HN 0.651 nan 8.380 nan 0.000 0.514 534 H N -0.831 118.259 119.070 0.034 0.000 2.462 534 H HA 0.258 4.847 4.556 0.055 0.000 0.292 534 H C 1.860 177.122 175.328 -0.110 0.000 1.049 534 H CA 0.827 56.888 56.048 0.022 0.000 1.334 534 H CB 0.074 29.931 29.762 0.158 0.000 1.404 534 H HN 0.729 nan 8.280 nan 0.000 0.544 535 G N -0.785 108.068 108.800 0.088 0.000 2.159 535 G HA2 -0.280 3.714 3.960 0.055 0.000 0.256 535 G HA3 -0.280 3.714 3.960 0.055 0.000 0.256 535 G C -0.210 174.662 174.900 -0.047 0.000 0.977 535 G CA 0.058 45.148 45.100 -0.016 0.000 0.652 535 G HN 0.345 nan 8.290 nan 0.000 0.531 536 F N 1.229 121.359 119.950 0.300 0.000 2.443 536 F HA 0.575 5.135 4.527 0.055 0.000 0.353 536 F C 0.864 176.731 175.800 0.112 0.000 1.101 536 F CA -0.034 58.004 58.000 0.064 0.000 1.226 536 F CB 1.415 40.312 39.000 -0.172 0.000 1.140 536 F HN -0.024 nan 8.300 nan 0.000 0.557 537 K N 1.447 121.995 120.400 0.247 0.000 2.426 537 K HA 0.517 4.870 4.320 0.055 0.000 0.251 537 K C -1.022 175.663 176.600 0.141 0.000 0.941 537 K CA -1.046 55.343 56.287 0.170 0.000 0.808 537 K CB 2.413 34.979 32.500 0.110 0.000 1.265 537 K HN 0.388 nan 8.250 nan 0.000 0.432 538 V N 2.077 122.055 119.914 0.106 0.000 2.617 538 V HA 0.281 4.435 4.120 0.055 0.000 0.304 538 V C 1.651 177.789 176.094 0.073 0.000 1.040 538 V CA 2.344 64.687 62.300 0.073 0.000 1.149 538 V CB 0.376 32.231 31.823 0.054 0.000 0.914 538 V HN 1.235 nan 8.190 nan 0.000 0.487 539 G N 4.254 113.092 108.800 0.062 0.000 2.232 539 G HA2 -0.226 3.767 3.960 0.055 0.000 0.226 539 G HA3 -0.226 3.767 3.960 0.055 0.000 0.226 539 G C 0.204 175.159 174.900 0.092 0.000 0.996 539 G CA 0.059 45.203 45.100 0.073 0.000 0.626 539 G HN 0.544 nan 8.290 nan 0.000 0.509 540 M N 1.601 121.265 119.600 0.107 0.000 2.228 540 M HA 0.317 4.830 4.480 0.055 0.000 0.351 540 M C 0.549 176.917 176.300 0.113 0.000 1.233 540 M CA 0.144 55.518 55.300 0.123 0.000 1.129 540 M CB 0.645 33.332 32.600 0.145 0.000 1.604 540 M HN -0.051 nan 8.290 nan 0.000 0.457 541 K N 3.412 123.873 120.400 0.102 0.000 2.118 541 K HA 0.741 5.095 4.320 0.055 0.000 0.264 541 K C -0.658 175.976 176.600 0.057 0.000 1.000 541 K CA -0.456 55.895 56.287 0.106 0.000 0.929 541 K CB 1.142 33.736 32.500 0.157 0.000 1.021 541 K HN 0.557 nan 8.250 nan 0.000 0.463 542 L N -2.284 119.006 121.223 0.111 0.000 2.963 542 L HA 0.488 4.861 4.340 0.055 0.000 0.273 542 L C -1.107 175.878 176.870 0.192 0.000 1.078 542 L CA -0.832 54.061 54.840 0.087 0.000 0.970 542 L CB 0.930 43.122 42.059 0.221 0.000 1.564 542 L HN 0.477 nan 8.230 nan 0.000 0.381 543 E N 0.320 120.609 120.200 0.147 0.000 2.133 543 E HA 0.778 5.161 4.350 0.055 0.000 0.274 543 E C -1.045 175.644 176.600 0.148 0.000 0.930 543 E CA -0.808 55.723 56.400 0.217 0.000 0.770 543 E CB 1.946 31.816 29.700 0.284 0.000 1.104 543 E HN 0.873 nan 8.360 nan 0.000 0.403 544 A N 2.734 125.644 122.820 0.150 0.000 2.355 544 A HA 0.475 4.828 4.320 0.055 0.000 0.317 544 A C -0.333 177.354 177.584 0.171 0.000 1.094 544 A CA -0.720 51.391 52.037 0.125 0.000 0.764 544 A CB 1.147 20.168 19.000 0.035 0.000 1.230 544 A HN 0.429 nan 8.150 nan 0.000 0.448 545 V N 2.434 122.389 119.914 0.070 0.000 2.585 545 V HA 0.035 4.188 4.120 0.055 0.000 0.296 545 V C 0.408 176.524 176.094 0.037 0.000 1.035 545 V CA 0.086 62.382 62.300 -0.008 0.000 1.084 545 V CB 0.842 32.627 31.823 -0.063 0.000 0.953 545 V HN 0.896 nan 8.190 nan 0.000 0.483 546 D N 4.487 124.790 120.400 -0.161 0.000 2.359 546 D HA 0.123 4.796 4.640 0.055 0.000 0.250 546 D C 0.833 177.032 176.300 -0.168 0.000 1.264 546 D CA 0.086 53.874 54.000 -0.353 0.000 0.911 546 D CB 0.806 41.196 40.800 -0.683 0.000 1.056 546 D HN 0.475 nan 8.370 nan 0.000 0.499 547 L N 3.112 124.306 121.223 -0.048 0.000 2.376 547 L HA -0.085 4.288 4.340 0.055 0.000 0.219 547 L C 2.096 178.968 176.870 0.002 0.000 1.133 547 L CA 0.459 55.293 54.840 -0.010 0.000 0.816 547 L CB -0.146 41.937 42.059 0.040 0.000 0.933 547 L HN 0.480 nan 8.230 nan 0.000 0.449 548 M N -0.944 118.633 119.600 -0.038 0.000 2.419 548 M HA -0.013 4.500 4.480 0.055 0.000 0.264 548 M C 0.723 177.010 176.300 -0.023 0.000 1.082 548 M CA 0.993 56.279 55.300 -0.023 0.000 1.119 548 M CB -0.455 32.108 32.600 -0.063 0.000 1.398 548 M HN 0.131 nan 8.290 nan 0.000 0.453 549 E N 1.020 121.168 120.200 -0.087 0.000 3.117 549 E HA 0.171 4.554 4.350 0.055 0.000 0.262 549 E C -1.997 174.523 176.600 -0.134 0.000 1.202 549 E CA -1.210 55.139 56.400 -0.085 0.000 0.853 549 E CB 1.281 30.899 29.700 -0.136 0.000 1.426 549 E HN -0.025 nan 8.360 nan 0.000 0.387 550 P HA -0.118 nan 4.420 nan 0.000 0.242 550 P C 0.861 177.990 177.300 -0.284 0.000 1.197 550 P CA 0.278 63.271 63.100 -0.178 0.000 0.765 550 P CB -0.068 31.504 31.700 -0.213 0.000 0.936 551 R N -0.276 120.001 120.500 -0.371 0.000 2.235 551 R HA 0.062 4.435 4.340 0.055 0.000 0.213 551 R C 0.720 176.766 176.300 -0.423 0.000 1.059 551 R CA 0.372 55.978 56.100 -0.823 0.000 0.997 551 R CB -0.811 29.080 30.300 -0.682 0.000 0.884 551 R HN 0.186 nan 8.270 nan 0.000 0.462 552 L N 2.145 123.205 121.223 -0.272 0.000 2.276 552 L HA 0.422 4.795 4.340 0.055 0.000 0.286 552 L C -0.164 176.612 176.870 -0.156 0.000 1.061 552 L CA -0.650 54.074 54.840 -0.193 0.000 0.807 552 L CB 1.459 43.368 42.059 -0.249 0.000 1.177 552 L HN 0.057 nan 8.230 nan 0.000 0.429 553 I N 2.214 122.759 120.570 -0.042 0.000 2.474 553 I HA 0.478 4.681 4.170 0.055 0.000 0.294 553 I C -0.581 175.535 176.117 -0.002 0.000 1.005 553 I CA -0.390 60.893 61.300 -0.028 0.000 1.113 553 I CB 2.057 40.030 38.000 -0.046 0.000 1.289 553 I HN 0.608 nan 8.210 nan 0.000 0.436 554 C N 4.218 123.536 119.300 0.031 0.000 2.994 554 C HA 0.445 4.938 4.460 0.055 0.000 0.304 554 C C 0.055 175.069 174.990 0.040 0.000 1.273 554 C CA -0.852 58.166 59.018 -0.001 0.000 1.537 554 C CB 1.807 29.554 27.740 0.012 0.000 2.001 554 C HN 0.428 nan 8.230 nan 0.000 0.471 555 V N 2.390 122.200 119.914 -0.174 0.000 2.540 555 V HA 0.439 4.593 4.120 0.055 0.000 0.297 555 V C 0.638 176.713 176.094 -0.033 0.000 1.024 555 V CA 0.964 63.110 62.300 -0.256 0.000 1.105 555 V CB 0.167 31.433 31.823 -0.928 0.000 0.938 555 V HN 1.153 nan 8.190 nan 0.000 0.482 556 A N 4.457 127.319 122.820 0.070 0.000 2.593 556 A HA 0.910 5.263 4.320 0.055 0.000 0.290 556 A C -0.490 177.109 177.584 0.023 0.000 1.126 556 A CA -0.641 51.371 52.037 -0.041 0.000 0.695 556 A CB 2.169 21.026 19.000 -0.238 0.000 1.290 556 A HN 0.640 nan 8.150 nan 0.000 0.414 557 T N 0.467 114.992 114.554 -0.048 0.000 2.886 557 T HA 0.504 4.887 4.350 0.055 0.000 0.292 557 T C -0.712 173.959 174.700 -0.049 0.000 1.012 557 T CA -0.451 61.651 62.100 0.003 0.000 0.982 557 T CB 1.517 70.413 68.868 0.047 0.000 1.018 557 T HN 0.689 nan 8.240 nan 0.000 0.451 558 V N 3.800 123.706 119.914 -0.013 0.000 2.421 558 V HA 0.155 4.308 4.120 0.055 0.000 0.271 558 V C 1.465 177.533 176.094 -0.042 0.000 1.031 558 V CA 0.194 62.467 62.300 -0.045 0.000 1.032 558 V CB 0.576 32.415 31.823 0.026 0.000 1.009 558 V HN 0.886 nan 8.190 nan 0.000 0.477 559 K N 4.871 125.213 120.400 -0.097 0.000 2.242 559 K HA 0.201 4.554 4.320 0.055 0.000 0.200 559 K C 0.595 177.149 176.600 -0.076 0.000 1.050 559 K CA 0.422 56.649 56.287 -0.099 0.000 0.981 559 K CB 0.421 32.832 32.500 -0.149 0.000 0.795 559 K HN 0.549 nan 8.250 nan 0.000 0.477 560 R N 0.457 120.911 120.500 -0.076 0.000 2.698 560 R HA 0.366 4.740 4.340 0.055 0.000 0.275 560 R C -1.555 174.790 176.300 0.074 0.000 1.001 560 R CA -0.805 55.310 56.100 0.025 0.000 0.896 560 R CB 2.254 32.617 30.300 0.104 0.000 1.218 560 R HN -0.127 nan 8.270 nan 0.000 0.462 561 V N 2.028 122.018 119.914 0.125 0.000 2.407 561 V HA 0.388 4.541 4.120 0.055 0.000 0.291 561 V C -0.425 175.796 176.094 0.211 0.000 1.018 561 V CA -0.777 61.619 62.300 0.159 0.000 0.842 561 V CB 2.024 33.964 31.823 0.195 0.000 0.996 561 V HN 0.460 nan 8.190 nan 0.000 0.426 562 V N 5.842 125.905 119.914 0.248 0.000 2.327 562 V HA 0.460 4.613 4.120 0.055 0.000 0.272 562 V C 0.643 176.964 176.094 0.377 0.000 1.019 562 V CA -0.274 62.177 62.300 0.252 0.000 0.814 562 V CB -0.446 31.437 31.823 0.100 0.000 1.040 562 V HN 1.096 nan 8.190 nan 0.000 0.440 563 H N 2.461 121.628 119.070 0.162 0.000 1.452 563 H HA -0.328 4.261 4.556 0.055 0.000 0.090 563 H C 1.488 176.975 175.328 0.266 0.000 0.632 563 H CA 1.899 58.063 56.048 0.193 0.000 1.901 563 H CB -0.443 29.439 29.762 0.200 0.000 2.257 563 H HN 0.490 nan 8.280 nan 0.000 0.961 564 R N 1.345 122.063 120.500 0.364 0.000 2.313 564 R HA 0.141 4.515 4.340 0.055 0.000 0.199 564 R C -0.121 176.211 176.300 0.054 0.000 0.958 564 R CA 0.142 56.346 56.100 0.174 0.000 1.047 564 R CB 0.080 30.411 30.300 0.053 0.000 0.955 564 R HN 0.013 nan 8.270 nan 0.000 0.481 565 L N 1.156 122.458 121.223 0.133 0.000 2.329 565 L HA 0.431 4.804 4.340 0.055 0.000 0.279 565 L C -0.827 176.130 176.870 0.145 0.000 1.014 565 L CA -0.600 54.329 54.840 0.150 0.000 0.814 565 L CB 1.679 43.849 42.059 0.185 0.000 1.257 565 L HN -0.105 nan 8.230 nan 0.000 0.424 566 L N 2.152 123.414 121.223 0.065 0.000 2.334 566 L HA 0.609 4.982 4.340 0.055 0.000 0.273 566 L C 0.084 176.978 176.870 0.040 0.000 1.013 566 L CA -0.630 54.197 54.840 -0.022 0.000 0.816 566 L CB 1.778 43.635 42.059 -0.336 0.000 1.278 566 L HN 0.544 nan 8.230 nan 0.000 0.431 567 S N 2.658 118.238 115.700 -0.200 0.000 2.442 567 S HA 0.586 5.089 4.470 0.055 0.000 0.297 567 S C -0.412 173.945 174.600 -0.404 0.000 1.131 567 S CA -0.637 57.179 58.200 -0.641 0.000 1.092 567 S CB 0.369 62.883 63.200 -1.143 0.000 0.998 567 S HN 0.355 nan 8.310 nan 0.000 0.478 568 I N 5.075 125.399 120.570 -0.410 0.000 2.321 568 I HA 0.294 4.497 4.170 0.055 0.000 0.291 568 I C 0.110 175.938 176.117 -0.482 0.000 0.998 568 I CA -0.521 60.529 61.300 -0.417 0.000 1.227 568 I CB 0.892 38.612 38.000 -0.468 0.000 1.368 568 I HN 0.784 nan 8.210 nan 0.000 0.466 569 H N 6.462 125.249 119.070 -0.472 0.000 2.459 569 H HA 0.493 5.082 4.556 0.055 0.000 0.332 569 H C -1.359 173.697 175.328 -0.453 0.000 1.094 569 H CA -0.400 55.426 56.048 -0.369 0.000 1.224 569 H CB 0.959 30.616 29.762 -0.174 0.000 1.449 569 H HN 0.273 nan 8.280 nan 0.000 0.484 570 F N 3.411 123.035 119.950 -0.543 0.000 2.375 570 F HA 0.158 4.718 4.527 0.054 0.000 0.362 570 F C 0.204 175.755 175.800 -0.414 0.000 1.129 570 F CA -0.807 56.987 58.000 -0.344 0.000 1.154 570 F CB 0.209 39.035 39.000 -0.291 0.000 1.205 570 F HN 0.601 nan 8.300 nan 0.000 0.513 571 D N 2.205 122.553 120.400 -0.086 0.000 2.586 571 D HA 0.320 4.994 4.640 0.055 0.000 0.234 571 D C 1.182 177.496 176.300 0.022 0.000 1.132 571 D CA 1.804 55.827 54.000 0.039 0.000 0.860 571 D CB 0.582 41.400 40.800 0.031 0.000 1.159 571 D HN 0.836 nan 8.370 nan 0.000 0.490 572 G N 1.088 109.903 108.800 0.026 0.000 2.232 572 G HA2 -0.251 3.742 3.960 0.055 0.000 0.226 572 G HA3 -0.251 3.742 3.960 0.055 0.000 0.226 572 G C -0.123 174.586 174.900 -0.317 0.000 0.996 572 G CA -0.425 44.566 45.100 -0.182 0.000 0.626 572 G HN 0.445 nan 8.290 nan 0.000 0.509 573 W N 0.991 122.212 121.300 -0.132 0.000 2.576 573 W HA 0.576 5.268 4.660 0.054 0.000 0.360 573 W C 0.609 177.156 176.519 0.046 0.000 1.109 573 W CA 0.203 57.434 57.345 -0.190 0.000 1.237 573 W CB 0.482 29.684 29.460 -0.430 0.000 1.369 573 W HN 0.410 nan 8.180 nan 0.000 0.609 574 D N -0.198 120.457 120.400 0.425 0.000 2.382 574 D HA 0.165 4.839 4.640 0.055 0.000 0.240 574 D C 1.054 177.642 176.300 0.480 0.000 1.146 574 D CA 0.192 54.445 54.000 0.421 0.000 0.897 574 D CB 0.838 41.870 40.800 0.388 0.000 1.197 574 D HN 0.501 nan 8.370 nan 0.000 0.432 575 S N -0.654 115.247 115.700 0.335 0.000 2.420 575 S HA -0.194 4.309 4.470 0.055 0.000 0.237 575 S C 2.323 177.026 174.600 0.173 0.000 1.023 575 S CA 1.710 60.059 58.200 0.249 0.000 0.991 575 S CB -0.242 63.032 63.200 0.123 0.000 0.792 575 S HN 0.826 nan 8.310 nan 0.000 0.488 576 E N -0.102 120.179 120.200 0.134 0.000 2.331 576 E HA -0.182 4.201 4.350 0.055 0.000 0.199 576 E C 1.207 177.711 176.600 -0.160 0.000 1.008 576 E CA 1.118 57.490 56.400 -0.047 0.000 0.843 576 E CB -1.286 28.327 29.700 -0.145 0.000 0.761 576 E HN 0.898 nan 8.360 nan 0.000 0.507 577 Y N 1.154 121.494 120.300 0.067 0.000 2.511 577 Y HA 0.238 4.821 4.550 0.055 0.000 0.279 577 Y C 0.706 176.682 175.900 0.127 0.000 1.157 577 Y CA -0.209 57.918 58.100 0.044 0.000 1.300 577 Y CB 0.030 38.482 38.460 -0.013 0.000 1.052 577 Y HN 0.088 nan 8.280 nan 0.000 0.529 578 D N 1.297 121.804 120.400 0.178 0.000 2.419 578 D HA 0.044 4.717 4.640 0.055 0.000 0.236 578 D C -0.261 175.992 176.300 -0.078 0.000 1.165 578 D CA 0.618 54.611 54.000 -0.011 0.000 0.882 578 D CB 0.559 41.293 40.800 -0.110 0.000 1.201 578 D HN 0.262 nan 8.370 nan 0.000 0.443 579 Q N 0.227 119.916 119.800 -0.185 0.000 2.305 579 Q HA 0.321 4.694 4.340 0.055 0.000 0.271 579 Q C -1.070 174.794 176.000 -0.226 0.000 1.046 579 Q CA -0.741 54.990 55.803 -0.120 0.000 0.798 579 Q CB 1.770 30.526 28.738 0.029 0.000 1.286 579 Q HN 0.438 nan 8.270 nan 0.000 0.435 580 W N 3.472 124.772 121.300 -0.001 0.000 2.311 580 W HA 0.457 5.150 4.660 0.055 0.000 0.310 580 W C -0.050 176.464 176.519 -0.009 0.000 1.274 580 W CA -0.384 56.958 57.345 -0.005 0.000 1.215 580 W CB 0.885 30.368 29.460 0.039 0.000 1.227 580 W HN 0.365 nan 8.180 nan 0.000 0.523 581 V N 0.505 120.541 119.914 0.204 0.000 3.114 581 V HA 0.475 4.628 4.120 0.055 0.000 0.308 581 V C -0.752 175.361 176.094 0.032 0.000 1.168 581 V CA -1.265 61.080 62.300 0.075 0.000 1.015 581 V CB 1.726 33.516 31.823 -0.055 0.000 1.050 581 V HN 0.463 nan 8.190 nan 0.000 0.433 582 D N 1.759 122.159 120.400 -0.000 0.000 2.382 582 D HA 0.170 4.843 4.640 0.055 0.000 0.245 582 D C 1.292 177.479 176.300 -0.188 0.000 1.120 582 D CA 0.421 54.391 54.000 -0.051 0.000 0.890 582 D CB 1.588 42.396 40.800 0.013 0.000 1.201 582 D HN 1.056 nan 8.370 nan 0.000 0.433 583 C N 2.131 121.272 119.300 -0.265 0.000 2.409 583 C HA -0.006 4.487 4.460 0.055 0.000 0.288 583 C C 1.472 176.353 174.990 -0.182 0.000 1.395 583 C CA 0.242 59.009 59.018 -0.419 0.000 1.792 583 C CB -1.088 26.381 27.740 -0.452 0.000 1.847 583 C HN 0.713 nan 8.230 nan 0.000 0.534 584 E N 1.280 121.417 120.200 -0.105 0.000 2.465 584 E HA 0.106 4.489 4.350 0.055 0.000 0.195 584 E C 0.729 177.288 176.600 -0.068 0.000 1.028 584 E CA -0.202 56.184 56.400 -0.023 0.000 0.899 584 E CB 0.271 29.985 29.700 0.022 0.000 1.032 584 E HN 0.604 nan 8.360 nan 0.000 0.468 585 S N 2.522 118.138 115.700 -0.139 0.000 2.626 585 S HA -0.026 4.477 4.470 0.055 0.000 0.303 585 S C -1.351 172.938 174.600 -0.519 0.000 1.256 585 S CA -0.949 57.117 58.200 -0.223 0.000 1.069 585 S CB 0.664 63.744 63.200 -0.199 0.000 0.807 585 S HN 0.061 nan 8.310 nan 0.000 0.500 586 P HA 0.101 nan 4.420 nan 0.000 0.242 586 P C -0.130 176.455 177.300 -1.192 0.000 1.197 586 P CA 0.418 62.665 63.100 -1.422 0.000 0.765 586 P CB 0.083 31.251 31.700 -0.886 0.000 0.936 587 D N 0.186 120.149 120.400 -0.728 0.000 2.402 587 D HA 0.183 4.856 4.640 0.055 0.000 0.216 587 D C 0.929 176.903 176.300 -0.542 0.000 1.128 587 D CA 0.074 53.772 54.000 -0.504 0.000 0.833 587 D CB 0.722 41.378 40.800 -0.241 0.000 0.971 587 D HN 0.381 nan 8.370 nan 0.000 0.503 588 I N -2.701 117.442 120.570 -0.711 0.000 2.689 588 I HA 0.607 4.810 4.170 0.055 0.000 0.299 588 I C -1.409 174.277 176.117 -0.718 0.000 1.059 588 I CA -0.973 60.058 61.300 -0.447 0.000 1.055 588 I CB 1.937 39.890 38.000 -0.078 0.000 1.243 588 I HN -0.340 nan 8.210 nan 0.000 0.425 589 Y N 2.943 123.021 120.300 -0.370 0.000 2.562 589 Y HA 0.596 5.181 4.550 0.058 0.000 0.345 589 Y C -2.656 172.567 175.900 -1.128 0.000 1.045 589 Y CA -2.280 55.260 58.100 -0.933 0.000 1.028 589 Y CB 2.051 39.994 38.460 -0.861 0.000 1.297 589 Y HN 0.436 nan 8.280 nan 0.000 0.463 590 P HA 0.097 nan 4.420 nan 0.000 0.274 590 P C -0.440 176.662 177.300 -0.331 0.000 1.246 590 P CA -0.294 62.307 63.100 -0.832 0.000 0.795 590 P CB 0.845 32.001 31.700 -0.906 0.000 1.006 591 V N 1.046 120.719 119.914 -0.403 0.000 2.625 591 V HA 0.144 4.297 4.120 0.055 0.000 0.305 591 V C 1.841 177.803 176.094 -0.220 0.000 1.055 591 V CA 2.212 64.147 62.300 -0.608 0.000 1.209 591 V CB -1.022 30.218 31.823 -0.971 0.000 0.877 591 V HN 1.100 nan 8.190 nan 0.000 0.489 592 G N 4.056 112.852 108.800 -0.007 0.000 2.176 592 G HA2 -0.319 3.674 3.960 0.055 0.000 0.232 592 G HA3 -0.319 3.674 3.960 0.055 0.000 0.232 592 G C 0.459 175.529 174.900 0.283 0.000 0.986 592 G CA 0.563 45.782 45.100 0.197 0.000 0.643 592 G HN 0.933 nan 8.290 nan 0.000 0.522 593 W N 0.452 121.850 121.300 0.163 0.000 2.381 593 W HA 0.014 4.714 4.660 0.067 0.000 0.301 593 W C 2.485 178.985 176.519 -0.032 0.000 1.205 593 W CA 2.441 59.839 57.345 0.088 0.000 1.285 593 W CB -0.518 28.951 29.460 0.014 0.000 1.133 593 W HN 0.297 nan 8.180 nan 0.000 0.521 594 C N 0.260 119.672 119.300 0.187 0.000 2.429 594 C HA -0.187 4.306 4.460 0.055 0.000 0.277 594 C C 2.664 177.596 174.990 -0.097 0.000 1.262 594 C CA 1.740 60.785 59.018 0.045 0.000 1.733 594 C CB -1.339 26.564 27.740 0.270 0.000 2.010 594 C HN 0.541 nan 8.230 nan 0.000 0.483 595 E N 0.372 120.573 120.200 0.001 0.000 2.047 595 E HA -0.219 4.164 4.350 0.055 0.000 0.191 595 E C 2.123 178.641 176.600 -0.137 0.000 0.987 595 E CA 0.986 57.371 56.400 -0.025 0.000 0.799 595 E CB -0.277 29.464 29.700 0.069 0.000 0.752 595 E HN 0.620 nan 8.360 nan 0.000 0.449 596 L N 0.804 121.889 121.223 -0.231 0.000 2.042 596 L HA -0.170 4.203 4.340 0.055 0.000 0.210 596 L C 2.504 179.144 176.870 -0.384 0.000 1.076 596 L CA 2.242 56.878 54.840 -0.341 0.000 0.749 596 L CB -0.285 41.423 42.059 -0.585 0.000 0.893 596 L HN 0.363 nan 8.230 nan 0.000 0.432 597 T N -4.603 109.607 114.554 -0.574 0.000 3.044 597 T HA 0.284 4.667 4.350 0.055 0.000 0.250 597 T C 1.333 175.851 174.700 -0.303 0.000 1.081 597 T CA 0.310 62.092 62.100 -0.531 0.000 1.040 597 T CB 0.393 68.692 68.868 -0.949 0.000 0.962 597 T HN 0.542 nan 8.240 nan 0.000 0.506 598 G N 0.482 109.136 108.800 -0.244 0.000 2.132 598 G HA2 -0.259 3.735 3.960 0.055 0.000 0.234 598 G HA3 -0.259 3.735 3.960 0.055 0.000 0.234 598 G C -0.209 174.624 174.900 -0.112 0.000 0.989 598 G CA -0.014 45.005 45.100 -0.135 0.000 0.676 598 G HN 0.679 nan 8.290 nan 0.000 0.522 599 Y N 1.076 121.227 120.300 -0.248 0.000 2.301 599 Y HA 0.539 5.121 4.550 0.052 0.000 0.328 599 Y C 0.991 176.826 175.900 -0.109 0.000 1.242 599 Y CA -0.177 57.818 58.100 -0.175 0.000 1.323 599 Y CB 0.748 39.098 38.460 -0.182 0.000 1.266 599 Y HN 0.313 nan 8.280 nan 0.000 0.527 600 Q N 3.618 123.211 119.800 -0.345 0.000 2.288 600 Q HA 0.284 4.657 4.340 0.055 0.000 0.254 600 Q C -1.498 174.532 176.000 0.050 0.000 0.932 600 Q CA -0.708 55.009 55.803 -0.142 0.000 0.902 600 Q CB 1.322 29.911 28.738 -0.248 0.000 1.203 600 Q HN 0.469 nan 8.270 nan 0.000 0.415 601 L N 3.239 124.496 121.223 0.055 0.000 2.296 601 L HA 0.216 4.589 4.340 0.055 0.000 0.286 601 L C -0.757 176.079 176.870 -0.057 0.000 1.023 601 L CA -0.313 54.559 54.840 0.054 0.000 0.812 601 L CB 1.516 43.625 42.059 0.083 0.000 1.223 601 L HN 0.475 nan 8.230 nan 0.000 0.421 602 Q N 6.315 126.057 119.800 -0.096 0.000 2.313 602 Q HA 0.310 4.683 4.340 0.055 0.000 0.266 602 Q C -2.186 173.650 176.000 -0.273 0.000 0.989 602 Q CA -1.716 54.007 55.803 -0.133 0.000 0.890 602 Q CB 0.445 29.122 28.738 -0.101 0.000 1.200 602 Q HN 0.474 nan 8.270 nan 0.000 0.396 603 P HA 0.109 nan 4.420 nan 0.000 0.272 603 P C -2.346 174.727 177.300 -0.379 0.000 1.240 603 P CA -1.440 61.412 63.100 -0.414 0.000 0.791 603 P CB -0.246 31.382 31.700 -0.119 0.000 0.978 604 P HA 0.103 nan 4.420 nan 0.000 0.212 604 P C -0.903 176.262 177.300 -0.226 0.000 1.816 604 P CA 0.007 62.919 63.100 -0.315 0.000 0.944 604 P CB -0.268 31.207 31.700 -0.376 0.000 1.896 605 V N -0.611 119.130 119.914 -0.289 0.000 2.876 605 V HA 0.672 4.825 4.120 0.055 0.000 0.312 605 V C 0.438 176.051 176.094 -0.801 0.000 1.085 605 V CA -1.604 60.451 62.300 -0.407 0.000 0.945 605 V CB 1.848 33.517 31.823 -0.256 0.000 1.017 605 V HN 0.176 nan 8.190 nan 0.000 0.428 606 A N 2.319 124.480 122.820 -1.099 0.000 2.899 606 A HA 0.745 5.098 4.320 0.055 0.000 0.287 606 A C 0.471 177.583 177.584 -0.785 0.000 1.715 606 A CA 0.674 51.718 52.037 -1.654 0.000 1.393 606 A CB -1.007 17.238 19.000 -1.258 0.000 1.070 606 A HN 1.752 nan 8.150 nan 0.000 0.587 607 A N 1.135 123.667 122.820 -0.480 0.000 2.593 607 A HA 0.839 5.192 4.320 0.055 0.000 0.290 607 A C -0.030 177.599 177.584 0.075 0.000 1.126 607 A CA 0.006 51.966 52.037 -0.128 0.000 0.695 607 A CB 0.191 19.121 19.000 -0.115 0.000 1.290 607 A HN 1.333 nan 8.150 nan 0.000 0.414 608 E N 0.616 120.853 120.200 0.062 0.000 2.408 608 E HA 0.524 4.907 4.350 0.055 0.000 0.259 608 E C -2.127 174.487 176.600 0.022 0.000 1.110 608 E CA -0.780 55.655 56.400 0.060 0.000 0.929 608 E CB -1.059 28.662 29.700 0.035 0.000 0.971 608 E HN 0.645 nan 8.360 nan 0.000 0.438 609 P HA 0.000 nan 4.420 nan 0.000 0.216 609 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 609 P CB 0.000 31.669 31.700 -0.051 0.000 0.726