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 3c49_1_A DATA FIRST_RESID 176 DATA SEQUENCE SMKRVQPCSL DPATQKLITN IFSKEMFKNT MALMDLDVKK MPLGKLSKQQ DATA SEQUENCE IARGFEALEA LEEALKGPTD GGQSLEELSS HFYTVIPHNF GHSQPPPINS DATA SEQUENCE PELLQAKKDM LLVLADIELA QALQAVSEQE KTVEEVPHPL DRDYQLLKCQ DATA SEQUENCE LQLLDSGAPE YKVIQTYLEQ TGSNHRCPTL QHIWKVNQEG EEDRFQAHSK DATA SEQUENCE LGNRKLLWHG TNMAVVAAIL TSGLRIMPHS GGRVGKGIYF ASENSKSAGY DATA SEQUENCE VIGMKCGAHH VGYMFLGEVA LGREHHINTD NPSLKSPPPG FDSVIARGHT DATA SEQUENCE EPDPTQDTEL ELDGQQVVVP QGQPVPCPEF SSSTFSQSEY LIYQESQCRL DATA SEQUENCE RYLLEVH 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 176 S HA 0.000 nan 4.470 nan 0.000 0.327 176 S C 0.000 174.596 174.600 -0.006 0.000 1.055 176 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 176 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 177 M N 4.012 123.608 119.600 -0.006 0.000 2.261 177 M HA 0.487 4.934 4.480 -0.054 0.000 0.349 177 M C -0.445 175.850 176.300 -0.008 0.000 1.305 177 M CA -0.081 55.214 55.300 -0.007 0.000 1.240 177 M CB 0.094 32.690 32.600 -0.007 0.000 1.394 177 M HN 0.099 nan 8.290 nan 0.000 0.438 178 K N 3.091 123.485 120.400 -0.010 0.000 2.414 178 K HA 0.102 4.389 4.320 -0.054 0.000 0.272 178 K C -0.020 176.573 176.600 -0.011 0.000 0.993 178 K CA -0.077 56.204 56.287 -0.010 0.000 0.964 178 K CB 0.572 33.065 32.500 -0.012 0.000 0.925 178 K HN 0.627 nan 8.250 nan 0.000 0.487 179 R N 1.863 122.359 120.500 -0.008 0.000 2.349 179 R HA 0.187 4.494 4.340 -0.054 0.000 0.299 179 R C -0.989 175.306 176.300 -0.009 0.000 1.027 179 R CA -0.543 55.553 56.100 -0.006 0.000 0.958 179 R CB 0.819 31.119 30.300 -0.000 0.000 1.047 179 R HN 0.289 nan 8.270 nan 0.000 0.468 180 V N 5.237 125.141 119.914 -0.015 0.000 2.383 180 V HA 0.158 4.245 4.120 -0.054 0.000 0.275 180 V C 0.129 176.228 176.094 0.008 0.000 1.036 180 V CA -0.558 61.729 62.300 -0.022 0.000 0.889 180 V CB 1.206 32.990 31.823 -0.066 0.000 0.985 180 V HN 0.835 nan 8.190 nan 0.000 0.459 181 Q N 5.281 125.098 119.800 0.030 0.000 2.354 181 Q HA 0.301 4.609 4.340 -0.054 0.000 0.244 181 Q C -2.325 173.731 176.000 0.094 0.000 0.969 181 Q CA -1.607 54.227 55.803 0.050 0.000 0.885 181 Q CB 0.464 29.231 28.738 0.047 0.000 1.241 181 Q HN 0.494 nan 8.270 nan 0.000 0.461 182 P HA -0.061 nan 4.420 nan 0.000 0.268 182 P C -0.678 176.673 177.300 0.085 0.000 1.205 182 P CA -0.245 62.915 63.100 0.099 0.000 0.771 182 P CB 0.435 32.166 31.700 0.051 0.000 0.858 183 C N 2.750 122.073 119.300 0.038 0.000 2.662 183 C HA 0.125 4.552 4.460 -0.054 0.000 0.420 183 C C 2.030 176.967 174.990 -0.088 0.000 1.314 183 C CA 0.773 59.709 59.018 -0.137 0.000 1.963 183 C CB -0.855 26.545 27.740 -0.567 0.000 2.686 183 C HN 0.734 nan 8.230 nan 0.000 0.609 184 S N 4.326 119.983 115.700 -0.073 0.000 2.517 184 S HA 0.211 4.648 4.470 -0.054 0.000 0.214 184 S C 0.198 174.746 174.600 -0.088 0.000 0.991 184 S CA -0.075 58.093 58.200 -0.053 0.000 0.906 184 S CB -0.305 62.885 63.200 -0.018 0.000 0.789 184 S HN 0.698 nan 8.310 nan 0.000 0.513 185 L N 3.085 124.226 121.223 -0.136 0.000 2.375 185 L HA 0.443 4.751 4.340 -0.054 0.000 0.271 185 L C 0.116 176.922 176.870 -0.107 0.000 1.107 185 L CA -0.942 53.804 54.840 -0.156 0.000 0.806 185 L CB 0.412 42.343 42.059 -0.214 0.000 1.146 185 L HN 0.238 nan 8.230 nan 0.000 0.447 186 D N 1.226 121.581 120.400 -0.074 0.000 2.377 186 D HA 0.188 4.795 4.640 -0.054 0.000 0.245 186 D C -2.083 174.196 176.300 -0.036 0.000 1.196 186 D CA -1.719 52.252 54.000 -0.047 0.000 0.962 186 D CB 0.184 40.963 40.800 -0.036 0.000 1.127 186 D HN 0.149 nan 8.370 nan 0.000 0.471 187 P HA -0.161 nan 4.420 nan 0.000 0.215 187 P C 1.292 178.601 177.300 0.016 0.000 1.157 187 P CA 2.386 65.483 63.100 -0.006 0.000 0.868 187 P CB -0.138 31.564 31.700 0.002 0.000 0.788 188 A N -0.829 121.973 122.820 -0.029 0.000 1.908 188 A HA -0.196 4.091 4.320 -0.054 0.000 0.218 188 A C 2.199 179.946 177.584 0.271 0.000 1.181 188 A CA 2.580 54.593 52.037 -0.039 0.000 0.627 188 A CB -1.908 16.750 19.000 -0.569 0.000 0.818 188 A HN 0.205 nan 8.150 nan 0.000 0.445 189 T N -0.221 114.473 114.554 0.234 0.000 2.951 189 T HA -0.100 4.217 4.350 -0.054 0.000 0.268 189 T C 1.981 176.652 174.700 -0.048 0.000 1.073 189 T CA 1.347 63.499 62.100 0.087 0.000 1.134 189 T CB -0.167 68.715 68.868 0.023 0.000 0.884 189 T HN 0.581 nan 8.240 nan 0.000 0.479 190 Q N 0.889 120.679 119.800 -0.017 0.000 2.046 190 Q HA -0.135 4.172 4.340 -0.054 0.000 0.200 190 Q C 2.663 178.681 176.000 0.030 0.000 0.975 190 Q CA 1.294 57.085 55.803 -0.020 0.000 0.836 190 Q CB -0.207 28.511 28.738 -0.033 0.000 0.896 190 Q HN 0.366 nan 8.270 nan 0.000 0.428 191 K N 0.975 121.421 120.400 0.075 0.000 2.032 191 K HA -0.180 4.107 4.320 -0.054 0.000 0.209 191 K C 2.096 178.761 176.600 0.109 0.000 1.048 191 K CA 1.256 57.618 56.287 0.125 0.000 0.927 191 K CB -0.859 31.762 32.500 0.201 0.000 0.712 191 K HN 0.308 nan 8.250 nan 0.000 0.441 192 L N 0.741 121.990 121.223 0.045 0.000 1.989 192 L HA -0.054 4.254 4.340 -0.054 0.000 0.211 192 L C 2.293 179.055 176.870 -0.178 0.000 1.071 192 L CA 1.960 56.696 54.840 -0.174 0.000 0.749 192 L CB -0.594 41.098 42.059 -0.612 0.000 0.890 192 L HN 0.288 nan 8.230 nan 0.000 0.431 193 I N -0.485 120.032 120.570 -0.088 0.000 2.226 193 I HA -0.244 3.893 4.170 -0.054 0.000 0.245 193 I C 2.378 178.588 176.117 0.155 0.000 1.100 193 I CA 1.549 62.891 61.300 0.070 0.000 1.374 193 I CB -1.842 36.233 38.000 0.125 0.000 1.057 193 I HN 0.323 nan 8.210 nan 0.000 0.413 194 T N 1.849 116.462 114.554 0.099 0.000 2.607 194 T HA -0.182 4.135 4.350 -0.054 0.000 0.267 194 T C 1.742 176.487 174.700 0.074 0.000 1.049 194 T CA 1.819 63.983 62.100 0.106 0.000 1.162 194 T CB -0.330 68.590 68.868 0.086 0.000 0.863 194 T HN 0.290 nan 8.240 nan 0.000 0.424 195 N N 1.798 120.523 118.700 0.041 0.000 2.018 195 N HA -0.110 4.598 4.740 -0.054 0.000 0.196 195 N C 1.959 177.398 175.510 -0.118 0.000 1.043 195 N CA 1.609 54.664 53.050 0.008 0.000 0.856 195 N CB -0.698 37.868 38.487 0.132 0.000 1.042 195 N HN 0.651 nan 8.380 nan 0.000 0.423 196 I N -3.923 116.534 120.570 -0.189 0.000 3.291 196 I HA 0.075 4.212 4.170 -0.054 0.000 0.279 196 I C 0.624 176.455 176.117 -0.476 0.000 1.294 196 I CA 0.999 62.079 61.300 -0.366 0.000 1.428 196 I CB -0.249 37.487 38.000 -0.440 0.000 1.070 196 I HN -0.173 nan 8.210 nan 0.000 0.478 197 F N 0.923 120.822 119.950 -0.086 0.000 2.682 197 F HA 0.313 4.808 4.527 -0.054 0.000 0.308 197 F C 1.481 177.317 175.800 0.060 0.000 1.093 197 F CA -0.554 57.504 58.000 0.096 0.000 1.244 197 F CB 0.155 39.228 39.000 0.123 0.000 1.052 197 F HN -0.047 nan 8.300 nan 0.000 0.573 198 S N 1.009 116.687 115.700 -0.037 0.000 2.515 198 S HA 0.007 4.445 4.470 -0.054 0.000 0.285 198 S C 1.454 176.056 174.600 0.003 0.000 1.265 198 S CA -0.202 57.983 58.200 -0.025 0.000 1.079 198 S CB 0.553 63.700 63.200 -0.088 0.000 0.877 198 S HN 0.367 nan 8.310 nan 0.000 0.493 199 K N 3.362 123.875 120.400 0.189 0.000 2.097 199 K HA -0.139 4.149 4.320 -0.054 0.000 0.206 199 K C 1.911 178.607 176.600 0.161 0.000 1.049 199 K CA 1.581 58.033 56.287 0.276 0.000 0.933 199 K CB -0.097 32.511 32.500 0.180 0.000 0.717 199 K HN 0.665 nan 8.250 nan 0.000 0.442 200 E N 1.112 121.350 120.200 0.063 0.000 2.031 200 E HA -0.177 4.140 4.350 -0.054 0.000 0.193 200 E C 1.910 178.507 176.600 -0.006 0.000 0.994 200 E CA 1.145 57.559 56.400 0.023 0.000 0.800 200 E CB -0.056 29.642 29.700 -0.003 0.000 0.752 200 E HN 0.108 nan 8.360 nan 0.000 0.447 201 M N -0.281 119.270 119.600 -0.081 0.000 2.106 201 M HA -0.189 4.259 4.480 -0.054 0.000 0.259 201 M C 1.490 177.720 176.300 -0.117 0.000 1.068 201 M CA 1.627 56.835 55.300 -0.153 0.000 1.100 201 M CB -0.505 31.928 32.600 -0.279 0.000 1.351 201 M HN 0.150 nan 8.290 nan 0.000 0.404 202 F N 0.931 120.890 119.950 0.015 0.000 2.146 202 F HA -0.135 4.359 4.527 -0.054 0.000 0.298 202 F C 2.411 178.208 175.800 -0.004 0.000 1.096 202 F CA 1.472 59.478 58.000 0.009 0.000 1.275 202 F CB -0.793 38.219 39.000 0.020 0.000 1.008 202 F HN 0.195 nan 8.300 nan 0.000 0.480 203 K N -0.137 120.371 120.400 0.180 0.000 2.097 203 K HA -0.133 4.154 4.320 -0.054 0.000 0.205 203 K C 1.763 178.385 176.600 0.037 0.000 1.050 203 K CA 1.279 57.616 56.287 0.083 0.000 0.938 203 K CB -0.331 32.204 32.500 0.057 0.000 0.718 203 K HN 0.167 nan 8.250 nan 0.000 0.442 204 N N 0.589 119.304 118.700 0.025 0.000 2.069 204 N HA -0.127 4.580 4.740 -0.054 0.000 0.191 204 N C 1.772 177.285 175.510 0.005 0.000 1.031 204 N CA 1.710 54.759 53.050 -0.001 0.000 0.852 204 N CB -0.834 37.643 38.487 -0.017 0.000 1.018 204 N HN 0.115 nan 8.380 nan 0.000 0.423 205 T N 1.314 115.885 114.554 0.028 0.000 2.720 205 T HA -0.089 4.228 4.350 -0.054 0.000 0.268 205 T C 2.038 176.752 174.700 0.023 0.000 1.037 205 T CA 1.159 63.282 62.100 0.038 0.000 1.144 205 T CB -0.195 68.721 68.868 0.080 0.000 0.864 205 T HN 0.208 nan 8.240 nan 0.000 0.444 206 M N 0.856 120.470 119.600 0.024 0.000 2.117 206 M HA -0.045 4.402 4.480 -0.054 0.000 0.262 206 M C 2.839 179.100 176.300 -0.065 0.000 1.065 206 M CA 1.600 56.886 55.300 -0.022 0.000 1.114 206 M CB -0.464 32.123 32.600 -0.023 0.000 1.361 206 M HN 0.323 nan 8.290 nan 0.000 0.408 207 A N 0.375 123.162 122.820 -0.055 0.000 1.902 207 A HA -0.130 4.157 4.320 -0.054 0.000 0.217 207 A C 2.036 179.573 177.584 -0.078 0.000 1.181 207 A CA 1.362 53.351 52.037 -0.081 0.000 0.623 207 A CB -1.012 17.952 19.000 -0.061 0.000 0.818 207 A HN 0.480 nan 8.150 nan 0.000 0.443 208 L N -1.236 119.962 121.223 -0.043 0.000 2.456 208 L HA -0.036 4.271 4.340 -0.054 0.000 0.224 208 L C 1.743 178.601 176.870 -0.020 0.000 1.148 208 L CA 0.693 55.518 54.840 -0.026 0.000 0.825 208 L CB -0.316 41.739 42.059 -0.007 0.000 0.937 208 L HN 0.448 nan 8.230 nan 0.000 0.450 209 M N -0.984 118.595 119.600 -0.036 0.000 2.475 209 M HA 0.114 4.561 4.480 -0.054 0.000 0.283 209 M C -0.378 175.878 176.300 -0.073 0.000 1.165 209 M CA -0.016 55.274 55.300 -0.017 0.000 0.976 209 M CB 0.517 33.115 32.600 -0.003 0.000 1.428 209 M HN 0.009 nan 8.290 nan 0.000 0.495 210 D N 1.317 121.621 120.400 -0.160 0.000 2.870 210 D HA -0.150 4.458 4.640 -0.054 0.000 0.228 210 D C -0.557 175.482 176.300 -0.436 0.000 1.147 210 D CA 0.833 54.615 54.000 -0.362 0.000 0.757 210 D CB -1.402 39.133 40.800 -0.442 0.000 1.091 210 D HN 0.393 nan 8.370 nan 0.000 0.429 211 L N 0.662 121.681 121.223 -0.340 0.000 2.307 211 L HA 0.241 4.549 4.340 -0.054 0.000 0.282 211 L C 0.952 177.678 176.870 -0.241 0.000 1.051 211 L CA -0.512 54.107 54.840 -0.369 0.000 0.804 211 L CB 1.269 43.163 42.059 -0.276 0.000 1.197 211 L HN -0.143 nan 8.230 nan 0.000 0.431 212 D N 2.413 122.694 120.400 -0.199 0.000 2.374 212 D HA 0.067 4.674 4.640 -0.054 0.000 0.240 212 D C 0.849 177.097 176.300 -0.087 0.000 1.229 212 D CA -0.113 53.818 54.000 -0.114 0.000 0.895 212 D CB 1.577 42.342 40.800 -0.058 0.000 1.046 212 D HN 0.233 nan 8.370 nan 0.000 0.498 213 V N 4.732 124.603 119.914 -0.073 0.000 2.548 213 V HA -0.162 3.925 4.120 -0.054 0.000 0.249 213 V C 2.400 178.474 176.094 -0.033 0.000 1.055 213 V CA 1.204 63.474 62.300 -0.051 0.000 1.065 213 V CB -0.264 31.538 31.823 -0.036 0.000 0.681 213 V HN 0.466 nan 8.190 nan 0.000 0.462 214 K N 0.251 120.637 120.400 -0.024 0.000 2.103 214 K HA -0.058 4.229 4.320 -0.054 0.000 0.204 214 K C 2.087 178.679 176.600 -0.015 0.000 1.052 214 K CA 0.965 57.245 56.287 -0.012 0.000 0.945 214 K CB -0.112 32.389 32.500 0.001 0.000 0.722 214 K HN 0.339 nan 8.250 nan 0.000 0.443 215 K N 0.064 120.454 120.400 -0.018 0.000 2.486 215 K HA 0.060 4.347 4.320 -0.054 0.000 0.194 215 K C 0.674 177.254 176.600 -0.034 0.000 1.033 215 K CA 0.417 56.692 56.287 -0.020 0.000 1.004 215 K CB 0.279 32.772 32.500 -0.013 0.000 0.798 215 K HN 0.095 nan 8.250 nan 0.000 0.495 216 M N 1.216 120.791 119.600 -0.041 0.000 2.297 216 M HA 0.240 4.688 4.480 -0.054 0.000 0.241 216 M C -2.985 173.287 176.300 -0.046 0.000 1.106 216 M CA -1.717 53.552 55.300 -0.051 0.000 0.809 216 M CB 1.356 33.912 32.600 -0.073 0.000 2.236 216 M HN -0.274 nan 8.290 nan 0.000 0.362 217 P HA 0.162 nan 4.420 nan 0.000 0.272 217 P C 0.801 178.080 177.300 -0.034 0.000 1.223 217 P CA -0.363 62.721 63.100 -0.027 0.000 0.784 217 P CB 0.872 32.560 31.700 -0.019 0.000 0.923 218 L N 1.173 122.378 121.223 -0.030 0.000 2.081 218 L HA -0.157 4.150 4.340 -0.054 0.000 0.212 218 L C 2.184 179.021 176.870 -0.055 0.000 1.080 218 L CA 2.088 56.897 54.840 -0.052 0.000 0.754 218 L CB -1.032 41.005 42.059 -0.036 0.000 0.893 218 L HN 0.597 nan 8.230 nan 0.000 0.433 219 G N -1.255 107.524 108.800 -0.034 0.000 2.985 219 G HA2 -0.115 3.813 3.960 -0.054 0.000 0.209 219 G HA3 -0.115 3.813 3.960 -0.054 0.000 0.209 219 G C 1.494 176.376 174.900 -0.029 0.000 1.165 219 G CA -0.048 45.035 45.100 -0.029 0.000 0.776 219 G HN 0.242 nan 8.290 nan 0.000 0.541 220 K N -0.486 119.895 120.400 -0.033 0.000 2.380 220 K HA 0.253 4.540 4.320 -0.054 0.000 0.198 220 K C 0.079 176.658 176.600 -0.035 0.000 1.070 220 K CA -0.544 55.725 56.287 -0.030 0.000 1.040 220 K CB 0.170 32.653 32.500 -0.028 0.000 0.903 220 K HN 0.090 nan 8.250 nan 0.000 0.549 221 L N 2.688 123.884 121.223 -0.045 0.000 2.615 221 L HA -0.033 4.275 4.340 -0.054 0.000 0.271 221 L C -0.028 176.821 176.870 -0.034 0.000 1.183 221 L CA 0.755 55.566 54.840 -0.048 0.000 0.933 221 L CB 0.467 42.486 42.059 -0.067 0.000 1.199 221 L HN 0.146 nan 8.230 nan 0.000 0.487 222 S N 2.332 118.018 115.700 -0.023 0.000 2.566 222 S HA 0.523 4.960 4.470 -0.054 0.000 0.298 222 S C 0.686 175.291 174.600 0.007 0.000 1.083 222 S CA -1.040 57.155 58.200 -0.009 0.000 0.978 222 S CB 1.687 64.883 63.200 -0.006 0.000 1.073 222 S HN 0.528 nan 8.310 nan 0.000 0.491 223 K N 0.596 121.007 120.400 0.019 0.000 2.211 223 K HA -0.103 4.184 4.320 -0.054 0.000 0.203 223 K C 2.065 178.697 176.600 0.053 0.000 1.050 223 K CA 1.033 57.345 56.287 0.042 0.000 0.945 223 K CB -0.140 32.384 32.500 0.039 0.000 0.732 223 K HN 0.694 nan 8.250 nan 0.000 0.451 224 Q N 1.433 121.255 119.800 0.036 0.000 2.079 224 Q HA -0.219 4.088 4.340 -0.054 0.000 0.200 224 Q C 2.300 178.324 176.000 0.039 0.000 0.974 224 Q CA 1.408 57.234 55.803 0.039 0.000 0.840 224 Q CB 0.119 28.873 28.738 0.026 0.000 0.898 224 Q HN 0.361 nan 8.270 nan 0.000 0.430 225 Q N 0.179 119.989 119.800 0.018 0.000 2.084 225 Q HA -0.164 4.144 4.340 -0.054 0.000 0.202 225 Q C 2.065 178.068 176.000 0.005 0.000 0.978 225 Q CA 1.446 57.247 55.803 -0.003 0.000 0.844 225 Q CB -0.089 28.632 28.738 -0.028 0.000 0.898 225 Q HN 0.482 nan 8.270 nan 0.000 0.426 226 I N 0.586 121.172 120.570 0.027 0.000 2.226 226 I HA -0.270 3.868 4.170 -0.054 0.000 0.245 226 I C 2.433 178.647 176.117 0.163 0.000 1.100 226 I CA 0.914 62.245 61.300 0.051 0.000 1.374 226 I CB -0.412 37.643 38.000 0.092 0.000 1.057 226 I HN 0.284 nan 8.210 nan 0.000 0.413 227 A N 0.900 123.830 122.820 0.182 0.000 1.877 227 A HA -0.215 4.073 4.320 -0.054 0.000 0.216 227 A C 2.393 180.090 177.584 0.189 0.000 1.186 227 A CA 1.529 53.700 52.037 0.223 0.000 0.620 227 A CB -0.604 18.480 19.000 0.141 0.000 0.822 227 A HN 0.290 nan 8.150 nan 0.000 0.443 228 R N -0.868 119.702 120.500 0.116 0.000 2.105 228 R HA -0.120 4.187 4.340 -0.054 0.000 0.239 228 R C 2.354 178.718 176.300 0.106 0.000 1.135 228 R CA 1.085 57.247 56.100 0.102 0.000 0.967 228 R CB -0.639 29.696 30.300 0.058 0.000 0.861 228 R HN 0.563 nan 8.270 nan 0.000 0.442 229 G N 0.482 109.319 108.800 0.061 0.000 2.446 229 G HA2 -0.267 3.660 3.960 -0.054 0.000 0.217 229 G HA3 -0.267 3.660 3.960 -0.054 0.000 0.217 229 G C 1.102 176.056 174.900 0.091 0.000 1.168 229 G CA 0.622 45.752 45.100 0.050 0.000 0.771 229 G HN 0.161 nan 8.290 nan 0.000 0.551 230 F N 1.290 121.271 119.950 0.051 0.000 2.102 230 F HA 0.009 4.503 4.527 -0.055 0.000 0.298 230 F C 2.802 178.570 175.800 -0.052 0.000 1.105 230 F CA 1.605 59.557 58.000 -0.080 0.000 1.239 230 F CB -0.406 38.511 39.000 -0.139 0.000 0.991 230 F HN 0.224 nan 8.300 nan 0.000 0.474 231 E N -0.179 120.153 120.200 0.221 0.000 2.130 231 E HA -0.271 4.046 4.350 -0.054 0.000 0.196 231 E C 2.372 179.053 176.600 0.134 0.000 0.998 231 E CA 1.132 57.628 56.400 0.160 0.000 0.806 231 E CB -0.404 29.384 29.700 0.147 0.000 0.738 231 E HN 0.403 nan 8.360 nan 0.000 0.459 232 A N 1.034 123.955 122.820 0.169 0.000 1.933 232 A HA -0.151 4.137 4.320 -0.054 0.000 0.218 232 A C 2.163 179.768 177.584 0.035 0.000 1.175 232 A CA 1.026 53.175 52.037 0.187 0.000 0.628 232 A CB -0.479 18.729 19.000 0.345 0.000 0.814 232 A HN 0.138 nan 8.150 nan 0.000 0.444 233 L N -1.067 120.124 121.223 -0.053 0.000 2.109 233 L HA -0.137 4.170 4.340 -0.054 0.000 0.207 233 L C 2.551 179.392 176.870 -0.048 0.000 1.086 233 L CA 1.205 55.940 54.840 -0.174 0.000 0.760 233 L CB -0.580 41.328 42.059 -0.251 0.000 0.910 233 L HN 0.480 nan 8.230 nan 0.000 0.437 234 E N 0.500 120.719 120.200 0.031 0.000 2.031 234 E HA -0.235 4.082 4.350 -0.054 0.000 0.193 234 E C 2.326 178.953 176.600 0.045 0.000 0.994 234 E CA 1.299 57.747 56.400 0.079 0.000 0.800 234 E CB -0.176 29.602 29.700 0.131 0.000 0.752 234 E HN 0.468 nan 8.360 nan 0.000 0.447 235 A N 1.121 123.963 122.820 0.037 0.000 1.908 235 A HA -0.204 4.083 4.320 -0.054 0.000 0.218 235 A C 2.153 179.738 177.584 0.002 0.000 1.181 235 A CA 1.178 53.227 52.037 0.019 0.000 0.627 235 A CB -0.589 18.421 19.000 0.016 0.000 0.818 235 A HN 0.193 nan 8.150 nan 0.000 0.445 236 L N -0.055 121.158 121.223 -0.017 0.000 2.083 236 L HA -0.160 4.147 4.340 -0.054 0.000 0.209 236 L C 2.341 179.193 176.870 -0.029 0.000 1.083 236 L CA 2.470 57.285 54.840 -0.041 0.000 0.752 236 L CB -0.571 41.424 42.059 -0.107 0.000 0.899 236 L HN 0.635 nan 8.230 nan 0.000 0.433 237 E N -0.934 119.256 120.200 -0.015 0.000 2.072 237 E HA -0.205 4.113 4.350 -0.054 0.000 0.191 237 E C 1.864 178.470 176.600 0.009 0.000 0.985 237 E CA 0.896 57.298 56.400 0.002 0.000 0.801 237 E CB 0.054 29.771 29.700 0.028 0.000 0.750 237 E HN 0.484 nan 8.360 nan 0.000 0.452 238 E N 0.162 120.370 120.200 0.013 0.000 2.160 238 E HA -0.210 4.107 4.350 -0.054 0.000 0.195 238 E C 1.862 178.466 176.600 0.006 0.000 0.991 238 E CA 1.074 57.481 56.400 0.013 0.000 0.810 238 E CB -0.129 29.579 29.700 0.014 0.000 0.742 238 E HN 0.348 nan 8.360 nan 0.000 0.466 239 A N 0.782 123.602 122.820 0.001 0.000 1.930 239 A HA -0.019 4.268 4.320 -0.054 0.000 0.215 239 A C 2.312 179.896 177.584 -0.001 0.000 1.176 239 A CA 0.496 52.532 52.037 -0.001 0.000 0.632 239 A CB -0.432 18.565 19.000 -0.004 0.000 0.819 239 A HN 0.126 nan 8.150 nan 0.000 0.445 240 L N -0.544 120.677 121.223 -0.004 0.000 2.056 240 L HA -0.154 4.154 4.340 -0.054 0.000 0.207 240 L C 3.205 180.076 176.870 0.002 0.000 1.078 240 L CA 1.701 56.539 54.840 -0.003 0.000 0.749 240 L CB -0.372 41.682 42.059 -0.008 0.000 0.901 240 L HN 0.499 nan 8.230 nan 0.000 0.433 241 K N 0.454 120.858 120.400 0.006 0.000 2.076 241 K HA 0.117 4.404 4.320 -0.054 0.000 0.204 241 K C 1.263 177.867 176.600 0.007 0.000 1.051 241 K CA 0.829 57.121 56.287 0.009 0.000 0.949 241 K CB -1.396 31.112 32.500 0.013 0.000 0.726 241 K HN 0.372 nan 8.250 nan 0.000 0.443 242 G N 2.712 111.516 108.800 0.006 0.000 2.334 242 G HA2 0.408 4.335 3.960 -0.054 0.000 0.261 242 G HA3 0.408 4.335 3.960 -0.054 0.000 0.261 242 G C -2.591 172.312 174.900 0.004 0.000 1.257 242 G CA -0.709 44.394 45.100 0.005 0.000 0.935 242 G HN 0.252 nan 8.290 nan 0.000 0.480 243 P HA 0.146 nan 4.420 nan 0.000 0.263 243 P C 0.372 177.674 177.300 0.003 0.000 1.247 243 P CA 0.135 63.237 63.100 0.003 0.000 0.876 243 P CB 0.145 31.848 31.700 0.004 0.000 0.928 244 T N 1.391 115.946 114.554 0.002 0.000 3.151 244 T HA -0.273 4.044 4.350 -0.054 0.000 0.438 244 T C 1.272 175.973 174.700 0.002 0.000 0.772 244 T CA 1.285 63.386 62.100 0.002 0.000 2.200 244 T CB -1.823 67.046 68.868 0.002 0.000 1.653 244 T HN 0.637 nan 8.240 nan 0.000 0.581 245 D N 0.620 121.021 120.400 0.002 0.000 2.116 245 D HA 0.125 4.733 4.640 -0.054 0.000 0.193 245 D C 2.011 178.312 176.300 0.001 0.000 0.998 245 D CA 1.576 55.577 54.000 0.002 0.000 0.836 245 D CB -0.679 40.122 40.800 0.002 0.000 0.951 245 D HN 1.731 nan 8.370 nan 0.000 0.449 246 G N -2.581 106.219 108.800 0.001 0.000 2.205 246 G HA2 0.258 4.186 3.960 -0.054 0.000 0.180 246 G HA3 0.258 4.186 3.960 -0.054 0.000 0.180 246 G C 0.911 175.811 174.900 -0.000 0.000 1.004 246 G CA 0.611 45.711 45.100 0.001 0.000 0.670 246 G HN 1.286 nan 8.290 nan 0.000 0.496 247 G N -0.291 108.508 108.800 -0.001 0.000 2.735 247 G HA2 0.503 4.431 3.960 -0.054 0.000 0.192 247 G HA3 0.503 4.431 3.960 -0.054 0.000 0.192 247 G C 0.207 175.106 174.900 -0.003 0.000 1.547 247 G CA -0.137 44.961 45.100 -0.003 0.000 1.080 247 G HN 0.482 nan 8.290 nan 0.000 0.569 248 Q N -0.034 119.763 119.800 -0.005 0.000 2.299 248 Q HA 0.396 4.703 4.340 -0.054 0.000 0.246 248 Q C 0.492 176.493 176.000 0.002 0.000 0.935 248 Q CA -0.381 55.420 55.803 -0.003 0.000 0.887 248 Q CB 1.388 30.121 28.738 -0.008 0.000 1.223 248 Q HN 0.596 nan 8.270 nan 0.000 0.439 249 S N 1.352 117.056 115.700 0.006 0.000 2.589 249 S HA 0.108 4.545 4.470 -0.054 0.000 0.265 249 S C 1.126 175.733 174.600 0.012 0.000 1.342 249 S CA -0.526 57.679 58.200 0.009 0.000 1.005 249 S CB 0.469 63.675 63.200 0.011 0.000 0.909 249 S HN 0.651 nan 8.310 nan 0.000 0.555 250 L N 0.846 122.075 121.223 0.010 0.000 2.042 250 L HA -0.142 4.165 4.340 -0.054 0.000 0.210 250 L C 3.145 180.031 176.870 0.028 0.000 1.076 250 L CA 1.837 56.683 54.840 0.010 0.000 0.749 250 L CB -1.241 40.820 42.059 0.003 0.000 0.893 250 L HN 0.759 nan 8.230 nan 0.000 0.432 251 E N -0.327 119.891 120.200 0.030 0.000 2.049 251 E HA -0.321 3.996 4.350 -0.054 0.000 0.198 251 E C 1.994 178.633 176.600 0.065 0.000 1.007 251 E CA 1.551 57.978 56.400 0.045 0.000 0.809 251 E CB -0.432 29.286 29.700 0.031 0.000 0.749 251 E HN 0.600 nan 8.360 nan 0.000 0.450 252 E N -0.291 119.940 120.200 0.052 0.000 2.047 252 E HA -0.117 4.200 4.350 -0.054 0.000 0.191 252 E C 2.292 178.943 176.600 0.084 0.000 0.987 252 E CA 0.946 57.383 56.400 0.062 0.000 0.799 252 E CB -0.149 29.574 29.700 0.038 0.000 0.752 252 E HN 0.278 nan 8.360 nan 0.000 0.449 253 L N 0.292 121.553 121.223 0.062 0.000 2.141 253 L HA -0.157 4.150 4.340 -0.054 0.000 0.209 253 L C 2.543 179.481 176.870 0.113 0.000 1.094 253 L CA 0.673 55.556 54.840 0.071 0.000 0.763 253 L CB -0.112 41.963 42.059 0.026 0.000 0.908 253 L HN 0.101 nan 8.230 nan 0.000 0.437 254 S N -1.007 114.752 115.700 0.097 0.000 2.356 254 S HA -0.226 4.211 4.470 -0.054 0.000 0.223 254 S C 2.179 176.919 174.600 0.234 0.000 1.032 254 S CA 1.584 59.853 58.200 0.115 0.000 1.005 254 S CB -0.229 63.070 63.200 0.165 0.000 0.867 254 S HN 0.475 nan 8.310 nan 0.000 0.449 255 S N 0.625 116.477 115.700 0.254 0.000 2.380 255 S HA -0.286 4.152 4.470 -0.054 0.000 0.229 255 S C 1.810 176.544 174.600 0.224 0.000 1.043 255 S CA 2.105 60.462 58.200 0.262 0.000 1.038 255 S CB -0.499 62.802 63.200 0.169 0.000 0.872 255 S HN 0.716 nan 8.310 nan 0.000 0.456 256 H N -0.364 118.771 119.070 0.109 0.000 2.353 256 H HA -0.041 4.482 4.556 -0.054 0.000 0.300 256 H C 1.742 177.111 175.328 0.069 0.000 1.090 256 H CA 2.065 58.160 56.048 0.078 0.000 1.327 256 H CB -0.673 29.128 29.762 0.065 0.000 1.383 256 H HN 0.534 nan 8.280 nan 0.000 0.508 257 F N 0.102 120.009 119.950 -0.071 0.000 2.095 257 F HA -0.254 4.240 4.527 -0.055 0.000 0.298 257 F C 1.531 177.189 175.800 -0.237 0.000 1.104 257 F CA 1.471 59.336 58.000 -0.227 0.000 1.232 257 F CB -0.851 37.929 39.000 -0.368 0.000 0.987 257 F HN 0.176 nan 8.300 nan 0.000 0.475 258 Y N 0.573 120.777 120.300 -0.160 0.000 2.333 258 Y HA -0.156 4.361 4.550 -0.055 0.000 0.290 258 Y C 2.669 178.462 175.900 -0.179 0.000 1.144 258 Y CA 1.656 59.627 58.100 -0.215 0.000 1.228 258 Y CB -1.501 36.938 38.460 -0.035 0.000 0.985 258 Y HN 0.045 nan 8.280 nan 0.000 0.542 259 T N -0.802 113.728 114.554 -0.040 0.000 2.788 259 T HA -0.127 4.190 4.350 -0.054 0.000 0.268 259 T C 2.081 176.679 174.700 -0.170 0.000 1.044 259 T CA 1.558 63.605 62.100 -0.089 0.000 1.139 259 T CB -0.539 68.261 68.868 -0.113 0.000 0.867 259 T HN 0.131 nan 8.240 nan 0.000 0.454 260 V N 0.981 120.724 119.914 -0.286 0.000 2.446 260 V HA 0.095 4.182 4.120 -0.054 0.000 0.244 260 V C 0.875 176.821 176.094 -0.247 0.000 1.039 260 V CA 0.824 62.968 62.300 -0.259 0.000 1.045 260 V CB -0.126 31.535 31.823 -0.270 0.000 0.681 260 V HN 0.393 nan 8.190 nan 0.000 0.459 261 I N 1.865 122.205 120.570 -0.385 0.000 2.460 261 I HA 0.376 4.513 4.170 -0.054 0.000 0.277 261 I C -2.790 173.252 176.117 -0.126 0.000 1.057 261 I CA -3.004 58.099 61.300 -0.329 0.000 1.179 261 I CB 0.318 38.007 38.000 -0.518 0.000 1.329 261 I HN 0.125 nan 8.210 nan 0.000 0.478 262 P HA 0.061 nan 4.420 nan 0.000 0.262 262 P C -0.609 176.723 177.300 0.053 0.000 1.182 262 P CA 0.665 63.790 63.100 0.041 0.000 0.761 262 P CB 0.299 31.986 31.700 -0.021 0.000 0.795 263 H N 1.310 120.414 119.070 0.056 0.000 2.670 263 H HA 0.578 5.101 4.556 -0.054 0.000 0.361 263 H C -0.049 175.222 175.328 -0.095 0.000 1.169 263 H CA -0.438 55.617 56.048 0.012 0.000 1.198 263 H CB 1.201 31.120 29.762 0.261 0.000 1.700 263 H HN 0.252 nan 8.280 nan 0.000 0.542 264 N N 1.237 119.775 118.700 -0.270 0.000 2.399 264 N HA 0.254 4.961 4.740 -0.054 0.000 0.284 264 N C -1.721 173.428 175.510 -0.600 0.000 1.025 264 N CA -0.419 52.463 53.050 -0.281 0.000 0.885 264 N CB 0.583 38.934 38.487 -0.227 0.000 1.339 264 N HN 0.435 nan 8.380 nan 0.000 0.487 265 F N 1.747 121.667 119.950 -0.050 0.000 2.619 265 F HA 0.372 4.866 4.527 -0.055 0.000 0.382 265 F C 1.216 176.961 175.800 -0.091 0.000 1.466 265 F CA -0.557 57.410 58.000 -0.056 0.000 1.137 265 F CB 0.916 39.889 39.000 -0.043 0.000 1.205 265 F HN 0.685 nan 8.300 nan 0.000 0.525 266 G N 0.670 109.417 108.800 -0.089 0.000 2.273 266 G HA2 -0.346 3.581 3.960 -0.054 0.000 0.280 266 G HA3 -0.346 3.581 3.960 -0.054 0.000 0.280 266 G C 0.044 174.878 174.900 -0.110 0.000 1.047 266 G CA 0.387 45.382 45.100 -0.175 0.000 0.869 266 G HN 0.870 nan 8.290 nan 0.000 0.502 267 H N -1.875 117.226 119.070 0.052 0.000 2.677 267 H HA -0.115 4.408 4.556 -0.054 0.000 0.321 267 H C 0.723 176.074 175.328 0.038 0.000 1.171 267 H CA 0.609 56.680 56.048 0.039 0.000 1.139 267 H CB -1.571 28.202 29.762 0.018 0.000 1.515 267 H HN 0.583 nan 8.280 nan 0.000 0.423 268 S N 0.584 116.368 115.700 0.140 0.000 2.634 268 S HA 0.284 4.722 4.470 -0.054 0.000 0.296 268 S C -0.116 174.497 174.600 0.022 0.000 1.104 268 S CA -1.323 56.917 58.200 0.067 0.000 0.920 268 S CB 1.942 65.165 63.200 0.038 0.000 1.111 268 S HN 0.237 nan 8.310 nan 0.000 0.493 269 Q N 1.701 121.479 119.800 -0.037 0.000 2.255 269 Q HA 0.180 4.487 4.340 -0.054 0.000 0.280 269 Q C -2.313 173.549 176.000 -0.230 0.000 1.068 269 Q CA -1.055 54.691 55.803 -0.096 0.000 0.911 269 Q CB -0.753 27.938 28.738 -0.079 0.000 1.157 269 Q HN 0.298 nan 8.270 nan 0.000 0.380 270 P HA 0.069 nan 4.420 nan 0.000 0.267 270 P C -2.386 174.555 177.300 -0.599 0.000 1.200 270 P CA -0.838 61.827 63.100 -0.724 0.000 0.772 270 P CB -0.246 30.665 31.700 -1.315 0.000 0.855 271 P HA 0.184 nan 4.420 nan 0.000 0.276 271 P C -2.360 174.924 177.300 -0.027 0.000 1.243 271 P CA -1.615 61.317 63.100 -0.280 0.000 0.768 271 P CB -0.656 30.861 31.700 -0.304 0.000 0.856 272 P HA 0.079 nan 4.420 nan 0.000 0.267 272 P C -0.124 177.203 177.300 0.045 0.000 1.209 272 P CA 0.321 63.463 63.100 0.071 0.000 0.763 272 P CB 0.478 32.193 31.700 0.025 0.000 0.816 273 I N 4.096 124.691 120.570 0.041 0.000 2.406 273 I HA -0.008 4.129 4.170 -0.054 0.000 0.293 273 I C 0.875 176.976 176.117 -0.027 0.000 1.101 273 I CA 0.245 61.531 61.300 -0.024 0.000 1.334 273 I CB -0.522 37.406 38.000 -0.120 0.000 1.421 273 I HN 0.392 nan 8.210 nan 0.000 0.513 274 N N 3.315 122.003 118.700 -0.019 0.000 2.466 274 N HA 0.145 4.853 4.740 -0.054 0.000 0.272 274 N C -0.726 174.777 175.510 -0.013 0.000 1.455 274 N CA -0.535 52.507 53.050 -0.014 0.000 0.875 274 N CB 0.760 39.242 38.487 -0.008 0.000 1.372 274 N HN 0.449 nan 8.380 nan 0.000 0.492 275 S N -2.086 113.605 115.700 -0.016 0.000 2.542 275 S HA 0.444 4.881 4.470 -0.054 0.000 0.276 275 S C -2.552 172.043 174.600 -0.009 0.000 1.148 275 S CA -0.905 57.289 58.200 -0.009 0.000 0.886 275 S CB 2.151 65.348 63.200 -0.005 0.000 1.109 275 S HN -0.141 nan 8.310 nan 0.000 0.458 276 P HA -0.169 nan 4.420 nan 0.000 0.216 276 P C 0.946 178.250 177.300 0.007 0.000 1.150 276 P CA 1.644 64.747 63.100 0.005 0.000 0.843 276 P CB 0.021 31.728 31.700 0.012 0.000 0.787 277 E N -0.300 119.905 120.200 0.008 0.000 2.058 277 E HA -0.155 4.162 4.350 -0.054 0.000 0.194 277 E C 2.042 178.649 176.600 0.010 0.000 0.997 277 E CA 0.846 57.253 56.400 0.013 0.000 0.801 277 E CB -1.164 28.543 29.700 0.012 0.000 0.746 277 E HN 0.136 nan 8.360 nan 0.000 0.450 278 L N 0.018 121.241 121.223 0.001 0.000 2.179 278 L HA 0.007 4.314 4.340 -0.054 0.000 0.208 278 L C 1.914 178.763 176.870 -0.035 0.000 1.096 278 L CA 0.936 55.773 54.840 -0.004 0.000 0.779 278 L CB -0.314 41.741 42.059 -0.008 0.000 0.922 278 L HN 0.177 nan 8.230 nan 0.000 0.443 279 L N -0.711 120.485 121.223 -0.046 0.000 2.083 279 L HA -0.192 4.116 4.340 -0.054 0.000 0.209 279 L C 2.407 179.249 176.870 -0.047 0.000 1.083 279 L CA 1.748 56.541 54.840 -0.077 0.000 0.752 279 L CB -0.694 41.335 42.059 -0.051 0.000 0.899 279 L HN 0.377 nan 8.230 nan 0.000 0.433 280 Q N -0.542 119.258 119.800 -0.001 0.000 2.230 280 Q HA 0.011 4.319 4.340 -0.054 0.000 0.202 280 Q C 2.080 178.099 176.000 0.032 0.000 0.963 280 Q CA 1.429 57.250 55.803 0.031 0.000 0.866 280 Q CB -0.234 28.530 28.738 0.043 0.000 0.931 280 Q HN 0.581 nan 8.270 nan 0.000 0.452 281 A N 0.507 123.341 122.820 0.023 0.000 1.877 281 A HA -0.155 4.133 4.320 -0.054 0.000 0.216 281 A C 1.856 179.470 177.584 0.050 0.000 1.186 281 A CA 1.524 53.588 52.037 0.045 0.000 0.620 281 A CB -0.348 18.685 19.000 0.056 0.000 0.822 281 A HN 0.173 nan 8.150 nan 0.000 0.443 282 K N 0.265 120.665 120.400 0.000 0.000 2.155 282 K HA -0.023 4.264 4.320 -0.054 0.000 0.203 282 K C 1.810 178.379 176.600 -0.052 0.000 1.052 282 K CA 1.206 57.484 56.287 -0.015 0.000 0.948 282 K CB -0.301 32.049 32.500 -0.251 0.000 0.728 282 K HN 0.537 nan 8.250 nan 0.000 0.448 283 K N 0.929 121.301 120.400 -0.047 0.000 2.057 283 K HA -0.130 4.157 4.320 -0.054 0.000 0.207 283 K C 1.615 178.275 176.600 0.100 0.000 1.049 283 K CA 1.432 57.738 56.287 0.032 0.000 0.931 283 K CB -0.072 32.514 32.500 0.143 0.000 0.714 283 K HN 0.044 nan 8.250 nan 0.000 0.440 284 D N 0.959 121.412 120.400 0.089 0.000 2.092 284 D HA -0.215 4.393 4.640 -0.054 0.000 0.193 284 D C 1.774 178.125 176.300 0.085 0.000 0.994 284 D CA 1.103 55.161 54.000 0.095 0.000 0.828 284 D CB -0.218 40.628 40.800 0.077 0.000 0.963 284 D HN 0.093 nan 8.370 nan 0.000 0.450 285 M N 0.448 120.089 119.600 0.070 0.000 2.080 285 M HA -0.153 4.295 4.480 -0.054 0.000 0.260 285 M C 2.081 178.397 176.300 0.026 0.000 1.068 285 M CA 1.291 56.628 55.300 0.063 0.000 1.109 285 M CB -0.646 32.012 32.600 0.097 0.000 1.342 285 M HN 0.047 nan 8.290 nan 0.000 0.405 286 L N 0.250 121.448 121.223 -0.041 0.000 2.079 286 L HA -0.255 4.052 4.340 -0.054 0.000 0.210 286 L C 2.527 179.399 176.870 0.003 0.000 1.081 286 L CA 1.154 55.884 54.840 -0.183 0.000 0.752 286 L CB -0.596 41.026 42.059 -0.728 0.000 0.896 286 L HN 0.394 nan 8.230 nan 0.000 0.433 287 L N -1.392 119.924 121.223 0.154 0.000 2.093 287 L HA -0.185 4.122 4.340 -0.054 0.000 0.208 287 L C 2.453 179.411 176.870 0.147 0.000 1.085 287 L CA 0.722 55.710 54.840 0.247 0.000 0.755 287 L CB -0.360 41.848 42.059 0.248 0.000 0.904 287 L HN 0.056 nan 8.230 nan 0.000 0.435 288 V N -0.245 119.733 119.914 0.106 0.000 2.270 288 V HA -0.293 3.795 4.120 -0.054 0.000 0.245 288 V C 2.387 178.525 176.094 0.074 0.000 1.043 288 V CA 1.514 63.868 62.300 0.091 0.000 1.014 288 V CB -0.412 31.461 31.823 0.083 0.000 0.645 288 V HN 0.284 nan 8.190 nan 0.000 0.447 289 L N 0.905 122.156 121.223 0.047 0.000 2.051 289 L HA -0.222 4.086 4.340 -0.054 0.000 0.214 289 L C 2.459 179.340 176.870 0.019 0.000 1.076 289 L CA 2.434 57.282 54.840 0.014 0.000 0.758 289 L CB -0.954 41.093 42.059 -0.020 0.000 0.890 289 L HN 0.278 nan 8.230 nan 0.000 0.433 290 A N -1.266 121.591 122.820 0.062 0.000 1.940 290 A HA -0.229 4.058 4.320 -0.054 0.000 0.219 290 A C 1.986 179.602 177.584 0.053 0.000 1.176 290 A CA 2.007 54.095 52.037 0.084 0.000 0.631 290 A CB -0.684 18.418 19.000 0.169 0.000 0.814 290 A HN 0.527 nan 8.150 nan 0.000 0.446 291 D N -0.601 119.835 120.400 0.059 0.000 2.323 291 D HA 0.055 4.662 4.640 -0.054 0.000 0.209 291 D C 1.763 178.074 176.300 0.019 0.000 0.973 291 D CA 0.446 54.477 54.000 0.050 0.000 0.874 291 D CB -0.112 40.733 40.800 0.076 0.000 0.930 291 D HN 0.530 nan 8.370 nan 0.000 0.521 292 I N 0.761 121.321 120.570 -0.018 0.000 2.286 292 I HA -0.159 3.979 4.170 -0.054 0.000 0.245 292 I C 2.432 178.384 176.117 -0.277 0.000 1.104 292 I CA 0.788 61.971 61.300 -0.196 0.000 1.397 292 I CB -0.033 37.870 38.000 -0.162 0.000 1.072 292 I HN -0.067 nan 8.210 nan 0.000 0.417 293 E N 1.704 121.822 120.200 -0.138 0.000 2.077 293 E HA -0.248 4.070 4.350 -0.054 0.000 0.193 293 E C 2.304 178.863 176.600 -0.069 0.000 0.989 293 E CA 1.286 57.623 56.400 -0.104 0.000 0.800 293 E CB -0.242 29.430 29.700 -0.047 0.000 0.746 293 E HN 0.493 nan 8.360 nan 0.000 0.452 294 L N 0.506 121.710 121.223 -0.032 0.000 2.043 294 L HA -0.216 4.092 4.340 -0.054 0.000 0.212 294 L C 2.503 179.381 176.870 0.012 0.000 1.075 294 L CA 1.918 56.759 54.840 0.001 0.000 0.752 294 L CB -0.395 41.675 42.059 0.020 0.000 0.891 294 L HN 0.180 nan 8.230 nan 0.000 0.432 295 A N -1.141 121.673 122.820 -0.010 0.000 1.930 295 A HA -0.206 4.081 4.320 -0.054 0.000 0.217 295 A C 2.138 179.755 177.584 0.055 0.000 1.175 295 A CA 1.358 53.437 52.037 0.071 0.000 0.627 295 A CB -0.404 18.621 19.000 0.042 0.000 0.815 295 A HN 0.554 nan 8.150 nan 0.000 0.443 296 Q N -0.438 119.303 119.800 -0.098 0.000 2.079 296 Q HA -0.048 4.259 4.340 -0.054 0.000 0.200 296 Q C 2.368 178.354 176.000 -0.023 0.000 0.974 296 Q CA 1.659 57.413 55.803 -0.081 0.000 0.840 296 Q CB -0.807 27.847 28.738 -0.141 0.000 0.898 296 Q HN 0.642 nan 8.270 nan 0.000 0.430 297 A N 0.527 123.337 122.820 -0.017 0.000 2.015 297 A HA -0.106 4.181 4.320 -0.054 0.000 0.219 297 A C 2.084 179.674 177.584 0.010 0.000 1.163 297 A CA 0.806 52.840 52.037 -0.005 0.000 0.646 297 A CB -0.458 18.540 19.000 -0.003 0.000 0.806 297 A HN 0.299 nan 8.150 nan 0.000 0.448 298 L N -0.224 121.022 121.223 0.038 0.000 2.131 298 L HA -0.154 4.153 4.340 -0.054 0.000 0.210 298 L C 2.290 179.166 176.870 0.011 0.000 1.092 298 L CA 1.930 56.803 54.840 0.055 0.000 0.759 298 L CB -0.433 41.713 42.059 0.144 0.000 0.903 298 L HN 0.474 nan 8.230 nan 0.000 0.435 299 Q N -0.247 119.551 119.800 -0.004 0.000 2.389 299 Q HA 0.185 4.492 4.340 -0.054 0.000 0.204 299 Q C 0.908 176.878 176.000 -0.050 0.000 0.944 299 Q CA 0.396 56.157 55.803 -0.069 0.000 0.908 299 Q CB -0.128 28.564 28.738 -0.077 0.000 1.002 299 Q HN 0.560 nan 8.270 nan 0.000 0.493 300 A N 1.378 124.182 122.820 -0.028 0.000 2.598 300 A HA 0.055 4.342 4.320 -0.054 0.000 0.239 300 A C 0.302 177.870 177.584 -0.028 0.000 1.032 300 A CA 0.072 52.095 52.037 -0.024 0.000 0.760 300 A CB 0.143 19.133 19.000 -0.016 0.000 0.946 300 A HN 0.086 nan 8.150 nan 0.000 0.512 301 V N 4.301 124.199 119.914 -0.027 0.000 2.572 301 V HA 0.260 4.348 4.120 -0.054 0.000 0.291 301 V C 1.247 177.329 176.094 -0.020 0.000 1.039 301 V CA 0.484 62.768 62.300 -0.026 0.000 1.055 301 V CB 0.568 32.377 31.823 -0.024 0.000 0.969 301 V HN 1.228 nan 8.190 nan 0.000 0.482 302 S N 4.484 120.172 115.700 -0.019 0.000 2.397 302 S HA 0.354 4.791 4.470 -0.054 0.000 0.261 302 S C 0.672 175.265 174.600 -0.012 0.000 1.187 302 S CA -0.334 57.858 58.200 -0.014 0.000 1.023 302 S CB 0.810 64.001 63.200 -0.014 0.000 1.103 302 S HN 0.644 nan 8.310 nan 0.000 0.474 303 E N -0.004 120.191 120.200 -0.010 0.000 2.372 303 E HA 0.123 4.440 4.350 -0.054 0.000 0.201 303 E C 2.140 178.735 176.600 -0.008 0.000 0.938 303 E CA 0.305 56.700 56.400 -0.008 0.000 0.944 303 E CB -0.422 29.274 29.700 -0.007 0.000 0.937 303 E HN 0.661 nan 8.360 nan 0.000 0.495 304 Q N 0.853 120.648 119.800 -0.008 0.000 2.170 304 Q HA -0.113 4.194 4.340 -0.054 0.000 0.203 304 Q C 1.445 177.440 176.000 -0.007 0.000 0.976 304 Q CA 1.240 57.039 55.803 -0.007 0.000 0.858 304 Q CB -0.029 28.705 28.738 -0.007 0.000 0.907 304 Q HN 0.288 nan 8.270 nan 0.000 0.433 305 E N 0.096 120.290 120.200 -0.010 0.000 2.481 305 E HA -0.047 4.271 4.350 -0.054 0.000 0.195 305 E C 1.227 177.820 176.600 -0.011 0.000 1.047 305 E CA 0.413 56.806 56.400 -0.012 0.000 0.867 305 E CB 0.282 29.972 29.700 -0.017 0.000 0.858 305 E HN 0.242 nan 8.360 nan 0.000 0.513 306 K N -0.238 120.156 120.400 -0.010 0.000 2.313 306 K HA 0.013 4.300 4.320 -0.054 0.000 0.197 306 K C 2.211 178.807 176.600 -0.007 0.000 1.061 306 K CA 1.131 57.412 56.287 -0.010 0.000 0.980 306 K CB 0.385 32.879 32.500 -0.010 0.000 0.888 306 K HN 0.070 nan 8.250 nan 0.000 0.502 307 T N -0.938 113.612 114.554 -0.006 0.000 2.985 307 T HA 0.048 4.365 4.350 -0.054 0.000 0.266 307 T C 1.031 175.728 174.700 -0.004 0.000 1.076 307 T CA 0.017 62.114 62.100 -0.005 0.000 1.135 307 T CB -0.192 68.674 68.868 -0.004 0.000 0.890 307 T HN -0.208 nan 8.240 nan 0.000 0.480 308 V N 2.752 122.663 119.914 -0.004 0.000 2.637 308 V HA 0.116 4.204 4.120 -0.054 0.000 0.296 308 V C 1.272 177.365 176.094 -0.003 0.000 1.046 308 V CA -0.067 62.231 62.300 -0.002 0.000 1.066 308 V CB 1.192 33.014 31.823 -0.002 0.000 0.968 308 V HN 0.414 nan 8.190 nan 0.000 0.483 309 E N 2.651 122.850 120.200 -0.002 0.000 2.474 309 E HA 0.099 4.416 4.350 -0.054 0.000 0.194 309 E C 0.039 176.638 176.600 -0.002 0.000 1.041 309 E CA 0.265 56.663 56.400 -0.002 0.000 0.874 309 E CB 0.514 30.213 29.700 -0.001 0.000 0.914 309 E HN 0.727 nan 8.360 nan 0.000 0.498 310 E N 1.086 121.286 120.200 0.000 0.000 2.279 310 E HA 0.202 4.520 4.350 -0.054 0.000 0.252 310 E C -0.495 176.107 176.600 0.003 0.000 0.894 310 E CA -0.416 55.985 56.400 0.002 0.000 0.785 310 E CB 2.292 31.996 29.700 0.006 0.000 1.237 310 E HN -0.105 nan 8.360 nan 0.000 0.418 311 V N 0.844 120.757 119.914 -0.002 0.000 2.686 311 V HA 0.559 4.647 4.120 -0.054 0.000 0.295 311 V C -2.512 173.586 176.094 0.008 0.000 1.057 311 V CA -2.215 60.083 62.300 -0.003 0.000 1.012 311 V CB 0.686 32.500 31.823 -0.015 0.000 1.006 311 V HN 0.375 nan 8.190 nan 0.000 0.477 312 P HA 0.181 nan 4.420 nan 0.000 0.276 312 P C -0.392 176.947 177.300 0.065 0.000 1.244 312 P CA -0.244 62.888 63.100 0.052 0.000 0.801 312 P CB 0.202 31.936 31.700 0.057 0.000 1.006 313 H N 3.003 122.077 119.070 0.008 0.000 3.094 313 H HA -0.029 4.495 4.556 -0.054 0.000 0.320 313 H C -1.390 173.938 175.328 0.001 0.000 1.000 313 H CA -0.732 55.319 56.048 0.005 0.000 1.413 313 H CB 0.160 29.927 29.762 0.008 0.000 1.405 313 H HN 0.225 nan 8.280 nan 0.000 0.586 314 P HA -0.212 nan 4.420 nan 0.000 0.218 314 P C 1.848 179.234 177.300 0.144 0.000 1.154 314 P CA 1.380 64.505 63.100 0.042 0.000 0.872 314 P CB 0.190 31.865 31.700 -0.041 0.000 0.790 315 L N -1.016 120.419 121.223 0.353 0.000 2.056 315 L HA -0.160 4.147 4.340 -0.054 0.000 0.207 315 L C 2.231 179.180 176.870 0.133 0.000 1.078 315 L CA 1.470 56.415 54.840 0.175 0.000 0.749 315 L CB -0.993 41.109 42.059 0.073 0.000 0.901 315 L HN -0.040 nan 8.230 nan 0.000 0.433 316 D N -0.123 120.360 120.400 0.139 0.000 2.123 316 D HA -0.218 4.389 4.640 -0.054 0.000 0.196 316 D C 2.244 178.639 176.300 0.159 0.000 0.992 316 D CA 1.146 55.231 54.000 0.143 0.000 0.833 316 D CB -0.032 40.840 40.800 0.121 0.000 0.954 316 D HN 0.192 nan 8.370 nan 0.000 0.455 317 R N 0.618 121.176 120.500 0.095 0.000 2.070 317 R HA -0.146 4.161 4.340 -0.054 0.000 0.233 317 R C 1.561 177.846 176.300 -0.025 0.000 1.137 317 R CA 1.669 57.785 56.100 0.027 0.000 0.945 317 R CB -0.054 30.242 30.300 -0.008 0.000 0.845 317 R HN -0.011 nan 8.270 nan 0.000 0.430 318 D N -0.365 119.987 120.400 -0.080 0.000 2.123 318 D HA -0.207 4.401 4.640 -0.054 0.000 0.196 318 D C 1.590 177.893 176.300 0.004 0.000 0.992 318 D CA 1.238 55.080 54.000 -0.263 0.000 0.833 318 D CB -0.482 40.010 40.800 -0.512 0.000 0.954 318 D HN 0.315 nan 8.370 nan 0.000 0.455 319 Y N 1.432 121.743 120.300 0.018 0.000 2.207 319 Y HA -0.230 4.286 4.550 -0.056 0.000 0.287 319 Y C 2.064 177.991 175.900 0.045 0.000 1.156 319 Y CA 1.691 59.828 58.100 0.062 0.000 1.182 319 Y CB -0.248 38.227 38.460 0.025 0.000 0.979 319 Y HN 0.032 nan 8.280 nan 0.000 0.521 320 Q N -0.220 119.513 119.800 -0.112 0.000 2.172 320 Q HA -0.089 4.218 4.340 -0.054 0.000 0.200 320 Q C 2.235 178.150 176.000 -0.141 0.000 0.964 320 Q CA 1.376 57.066 55.803 -0.189 0.000 0.855 320 Q CB -0.136 28.575 28.738 -0.046 0.000 0.918 320 Q HN 0.509 nan 8.270 nan 0.000 0.444 321 L N 0.479 121.655 121.223 -0.079 0.000 2.261 321 L HA -0.191 4.116 4.340 -0.054 0.000 0.216 321 L C 2.059 178.928 176.870 -0.003 0.000 1.114 321 L CA 0.737 55.554 54.840 -0.038 0.000 0.777 321 L CB -0.334 41.695 42.059 -0.049 0.000 0.910 321 L HN 0.299 nan 8.230 nan 0.000 0.440 322 L N -0.393 120.817 121.223 -0.021 0.000 2.141 322 L HA -0.125 4.182 4.340 -0.054 0.000 0.209 322 L C 0.751 177.571 176.870 -0.084 0.000 1.094 322 L CA 0.490 55.319 54.840 -0.018 0.000 0.763 322 L CB -0.313 41.721 42.059 -0.042 0.000 0.908 322 L HN 0.232 nan 8.230 nan 0.000 0.437 323 K N 0.042 120.352 120.400 -0.149 0.000 3.653 323 K HA -0.231 4.056 4.320 -0.054 0.000 0.275 323 K C -0.692 175.838 176.600 -0.115 0.000 0.962 323 K CA 0.433 56.645 56.287 -0.126 0.000 0.773 323 K CB -1.671 30.788 32.500 -0.068 0.000 1.463 323 K HN 0.422 nan 8.250 nan 0.000 0.450 324 C N 1.416 120.613 119.300 -0.171 0.000 3.008 324 C HA 0.119 4.546 4.460 -0.054 0.000 0.405 324 C C -0.565 174.378 174.990 -0.079 0.000 1.046 324 C CA -0.722 58.237 59.018 -0.098 0.000 1.249 324 C CB 1.238 28.940 27.740 -0.064 0.000 1.656 324 C HN 0.607 nan 8.230 nan 0.000 0.517 325 Q N 3.812 123.620 119.800 0.014 0.000 2.271 325 Q HA 0.455 4.762 4.340 -0.054 0.000 0.273 325 Q C -0.674 175.442 176.000 0.194 0.000 1.051 325 Q CA 0.580 56.465 55.803 0.136 0.000 0.901 325 Q CB 0.810 29.614 28.738 0.110 0.000 1.174 325 Q HN 0.685 nan 8.270 nan 0.000 0.385 326 L N 3.445 124.865 121.223 0.329 0.000 2.318 326 L HA 0.288 4.595 4.340 -0.054 0.000 0.277 326 L C -0.573 176.481 176.870 0.306 0.000 1.008 326 L CA -0.717 54.287 54.840 0.274 0.000 0.846 326 L CB 1.367 43.522 42.059 0.160 0.000 1.220 326 L HN 0.490 nan 8.230 nan 0.000 0.423 327 Q N 3.513 123.503 119.800 0.317 0.000 2.372 327 Q HA 0.373 4.680 4.340 -0.054 0.000 0.259 327 Q C -0.996 175.181 176.000 0.296 0.000 0.993 327 Q CA -0.546 55.416 55.803 0.266 0.000 0.854 327 Q CB 1.669 30.511 28.738 0.173 0.000 1.231 327 Q HN 0.516 nan 8.270 nan 0.000 0.462 328 L N 5.099 126.465 121.223 0.238 0.000 2.455 328 L HA 0.313 4.620 4.340 -0.054 0.000 0.272 328 L C -1.112 175.708 176.870 -0.085 0.000 1.174 328 L CA 0.492 55.271 54.840 -0.102 0.000 0.869 328 L CB 0.210 42.146 42.059 -0.205 0.000 1.130 328 L HN 0.755 nan 8.230 nan 0.000 0.474 329 L N 4.075 125.230 121.223 -0.114 0.000 2.376 329 L HA 0.623 4.930 4.340 -0.054 0.000 0.267 329 L C -0.107 176.630 176.870 -0.222 0.000 1.035 329 L CA -0.842 53.956 54.840 -0.069 0.000 0.800 329 L CB 1.396 43.503 42.059 0.080 0.000 1.290 329 L HN 0.763 nan 8.230 nan 0.000 0.462 330 D N -1.919 118.261 120.400 -0.366 0.000 2.867 330 D HA 0.174 4.781 4.640 -0.054 0.000 0.308 330 D C 0.192 175.885 176.300 -1.012 0.000 1.202 330 D CA -0.447 53.200 54.000 -0.589 0.000 1.035 330 D CB 1.403 42.016 40.800 -0.312 0.000 1.427 330 D HN 0.330 nan 8.370 nan 0.000 0.570 331 S N -0.995 114.267 115.700 -0.729 0.000 2.419 331 S HA 0.015 4.452 4.470 -0.054 0.000 0.235 331 S C 1.628 176.068 174.600 -0.267 0.000 1.019 331 S CA 1.122 59.005 58.200 -0.528 0.000 0.982 331 S CB -0.346 62.716 63.200 -0.230 0.000 0.789 331 S HN 0.689 nan 8.310 nan 0.000 0.490 332 G N 0.378 109.045 108.800 -0.222 0.000 3.609 332 G HA2 0.566 4.494 3.960 -0.054 0.000 0.280 332 G HA3 0.566 4.494 3.960 -0.054 0.000 0.280 332 G C -0.006 174.855 174.900 -0.065 0.000 1.155 332 G CA 0.021 45.061 45.100 -0.101 0.000 0.876 332 G HN 0.523 nan 8.290 nan 0.000 0.535 333 A N 0.740 123.519 122.820 -0.068 0.000 2.310 333 A HA 0.688 4.976 4.320 -0.054 0.000 0.299 333 A C -0.823 176.799 177.584 0.062 0.000 1.147 333 A CA -1.257 50.786 52.037 0.010 0.000 0.818 333 A CB 1.382 20.402 19.000 0.033 0.000 1.096 333 A HN 0.071 nan 8.150 nan 0.000 0.495 334 P HA -0.224 nan 4.420 nan 0.000 0.216 334 P C 0.954 178.282 177.300 0.048 0.000 1.157 334 P CA 1.765 64.894 63.100 0.047 0.000 0.880 334 P CB 0.183 31.912 31.700 0.048 0.000 0.791 335 E N -1.963 118.263 120.200 0.044 0.000 2.403 335 E HA -0.094 4.223 4.350 -0.054 0.000 0.187 335 E C 1.166 177.734 176.600 -0.054 0.000 1.073 335 E CA 0.026 56.409 56.400 -0.028 0.000 0.888 335 E CB -0.782 28.865 29.700 -0.089 0.000 1.035 335 E HN 0.319 nan 8.360 nan 0.000 0.471 336 Y N 2.254 122.500 120.300 -0.090 0.000 2.201 336 Y HA 0.053 4.570 4.550 -0.056 0.000 0.292 336 Y C 2.035 177.901 175.900 -0.057 0.000 1.119 336 Y CA 1.377 59.425 58.100 -0.086 0.000 1.127 336 Y CB 0.240 38.661 38.460 -0.065 0.000 1.019 336 Y HN -0.118 nan 8.280 nan 0.000 0.514 337 K N -0.660 119.788 120.400 0.080 0.000 2.360 337 K HA -0.097 4.190 4.320 -0.054 0.000 0.201 337 K C 1.819 178.402 176.600 -0.028 0.000 1.046 337 K CA 1.106 57.406 56.287 0.022 0.000 0.945 337 K CB -0.110 32.419 32.500 0.047 0.000 0.750 337 K HN 0.220 nan 8.250 nan 0.000 0.464 338 V N 1.301 121.187 119.914 -0.046 0.000 2.379 338 V HA -0.142 3.945 4.120 -0.054 0.000 0.243 338 V C 2.048 178.121 176.094 -0.035 0.000 1.035 338 V CA 1.205 63.477 62.300 -0.047 0.000 1.035 338 V CB -0.177 31.608 31.823 -0.064 0.000 0.673 338 V HN 0.225 nan 8.190 nan 0.000 0.457 339 I N -0.076 120.425 120.570 -0.115 0.000 2.493 339 I HA -0.267 3.871 4.170 -0.054 0.000 0.254 339 I C 2.508 178.621 176.117 -0.006 0.000 1.160 339 I CA 1.467 62.722 61.300 -0.074 0.000 1.445 339 I CB -0.227 37.607 38.000 -0.277 0.000 1.086 339 I HN 0.404 nan 8.210 nan 0.000 0.433 340 Q N 0.380 120.103 119.800 -0.129 0.000 2.163 340 Q HA -0.124 4.183 4.340 -0.054 0.000 0.198 340 Q C 2.124 178.130 176.000 0.009 0.000 0.954 340 Q CA 1.563 57.299 55.803 -0.111 0.000 0.851 340 Q CB 0.186 28.797 28.738 -0.211 0.000 0.928 340 Q HN 0.377 nan 8.270 nan 0.000 0.459 341 T N 0.236 114.812 114.554 0.036 0.000 2.821 341 T HA -0.168 4.149 4.350 -0.054 0.000 0.267 341 T C 1.309 176.114 174.700 0.176 0.000 1.046 341 T CA 1.102 63.246 62.100 0.074 0.000 1.139 341 T CB -0.435 68.464 68.868 0.051 0.000 0.871 341 T HN 0.344 nan 8.240 nan 0.000 0.454 342 Y N 2.012 122.349 120.300 0.062 0.000 2.097 342 Y HA -0.114 4.422 4.550 -0.022 0.000 0.282 342 Y C 2.224 178.274 175.900 0.251 0.000 1.152 342 Y CA 0.637 58.834 58.100 0.162 0.000 1.136 342 Y CB -1.108 37.446 38.460 0.156 0.000 0.975 342 Y HN 0.142 nan 8.280 nan 0.000 0.498 343 L N 0.648 122.043 121.223 0.286 0.000 1.990 343 L HA -0.234 4.074 4.340 -0.054 0.000 0.213 343 L C 2.134 178.969 176.870 -0.059 0.000 1.072 343 L CA 2.463 57.326 54.840 0.039 0.000 0.755 343 L CB -0.776 41.295 42.059 0.021 0.000 0.889 343 L HN 0.273 nan 8.230 nan 0.000 0.432 344 E N -1.363 118.837 120.200 -0.000 0.000 2.112 344 E HA -0.164 4.153 4.350 -0.054 0.000 0.190 344 E C 2.173 178.774 176.600 0.002 0.000 0.979 344 E CA 0.813 57.200 56.400 -0.022 0.000 0.814 344 E CB -0.094 29.597 29.700 -0.016 0.000 0.762 344 E HN 0.520 nan 8.360 nan 0.000 0.460 345 Q N -0.113 119.719 119.800 0.054 0.000 2.119 345 Q HA -0.094 4.213 4.340 -0.054 0.000 0.201 345 Q C 2.346 178.386 176.000 0.067 0.000 0.972 345 Q CA 1.860 57.704 55.803 0.068 0.000 0.847 345 Q CB -0.363 28.436 28.738 0.102 0.000 0.903 345 Q HN 0.423 nan 8.270 nan 0.000 0.433 346 T N -2.723 111.875 114.554 0.074 0.000 3.051 346 T HA 0.193 4.510 4.350 -0.054 0.000 0.255 346 T C 1.142 175.804 174.700 -0.063 0.000 1.085 346 T CA 0.355 62.483 62.100 0.047 0.000 1.109 346 T CB -0.166 68.770 68.868 0.114 0.000 0.921 346 T HN 0.168 nan 8.240 nan 0.000 0.488 347 G N 2.026 110.752 108.800 -0.124 0.000 2.647 347 G HA2 0.382 4.310 3.960 -0.054 0.000 0.271 347 G HA3 0.382 4.310 3.960 -0.054 0.000 0.271 347 G C 0.066 174.913 174.900 -0.088 0.000 1.300 347 G CA -0.145 44.856 45.100 -0.164 0.000 0.997 347 G HN 0.665 nan 8.290 nan 0.000 0.533 348 S N -0.296 115.353 115.700 -0.085 0.000 2.549 348 S HA 0.082 4.519 4.470 -0.054 0.000 0.279 348 S C 1.114 175.702 174.600 -0.019 0.000 1.321 348 S CA -0.524 57.652 58.200 -0.039 0.000 1.054 348 S CB 1.313 64.492 63.200 -0.035 0.000 0.899 348 S HN 0.503 nan 8.310 nan 0.000 0.497 349 N N 1.690 120.397 118.700 0.011 0.000 2.120 349 N HA -0.109 4.598 4.740 -0.054 0.000 0.188 349 N C 1.370 176.898 175.510 0.030 0.000 1.024 349 N CA 1.823 54.885 53.050 0.021 0.000 0.852 349 N CB -0.657 37.853 38.487 0.039 0.000 1.003 349 N HN 0.918 nan 8.380 nan 0.000 0.424 350 H N -0.297 118.753 119.070 -0.034 0.000 2.297 350 H HA 0.278 4.801 4.556 -0.054 0.000 0.317 350 H C 1.211 176.514 175.328 -0.042 0.000 1.062 350 H CA 1.413 57.441 56.048 -0.034 0.000 1.431 350 H CB -0.125 29.619 29.762 -0.031 0.000 1.452 350 H HN 0.066 nan 8.280 nan 0.000 0.565 351 R N 0.917 121.477 120.500 0.100 0.000 4.874 351 R HA 0.157 4.465 4.340 -0.054 0.000 0.173 351 R C 0.233 176.502 176.300 -0.052 0.000 2.034 351 R CA 0.500 56.608 56.100 0.013 0.000 1.630 351 R CB -2.510 27.799 30.300 0.015 0.000 1.372 351 R HN 0.502 nan 8.270 nan 0.000 0.843 352 C N 3.658 122.908 119.300 -0.084 0.000 2.517 352 C HA 0.190 4.617 4.460 -0.054 0.000 0.403 352 C C -1.580 173.358 174.990 -0.085 0.000 1.467 352 C CA -1.546 57.419 59.018 -0.088 0.000 1.542 352 C CB 0.033 27.715 27.740 -0.097 0.000 2.482 352 C HN 0.763 nan 8.230 nan 0.000 0.610 353 P HA 0.277 nan 4.420 nan 0.000 0.279 353 P C -0.797 176.446 177.300 -0.095 0.000 1.239 353 P CA 0.127 63.165 63.100 -0.103 0.000 0.789 353 P CB 0.736 32.343 31.700 -0.155 0.000 0.933 354 T N 3.195 117.705 114.554 -0.073 0.000 2.770 354 T HA 0.281 4.598 4.350 -0.054 0.000 0.283 354 T C 0.064 174.690 174.700 -0.124 0.000 0.988 354 T CA -0.541 61.504 62.100 -0.092 0.000 0.957 354 T CB 0.723 69.541 68.868 -0.083 0.000 0.930 354 T HN 0.198 nan 8.240 nan 0.000 0.443 355 L N 3.798 124.942 121.223 -0.132 0.000 2.453 355 L HA 0.232 4.539 4.340 -0.054 0.000 0.272 355 L C 0.988 177.724 176.870 -0.225 0.000 1.182 355 L CA 0.809 55.563 54.840 -0.143 0.000 0.858 355 L CB 0.507 42.488 42.059 -0.130 0.000 1.120 355 L HN 0.628 nan 8.230 nan 0.000 0.474 356 Q N 2.914 122.548 119.800 -0.277 0.000 2.631 356 Q HA 0.295 4.602 4.340 -0.054 0.000 0.220 356 Q C -0.341 175.267 176.000 -0.654 0.000 0.819 356 Q CA 0.438 55.917 55.803 -0.540 0.000 0.914 356 Q CB 0.741 29.088 28.738 -0.652 0.000 1.248 356 Q HN 0.624 nan 8.270 nan 0.000 0.629 357 H N -0.592 118.405 119.070 -0.123 0.000 2.851 357 H HA 0.541 5.063 4.556 -0.057 0.000 0.372 357 H C -0.638 174.525 175.328 -0.274 0.000 1.158 357 H CA -0.549 55.304 56.048 -0.324 0.000 1.159 357 H CB 2.129 31.455 29.762 -0.726 0.000 1.757 357 H HN 0.003 nan 8.280 nan 0.000 0.546 358 I N 1.837 122.312 120.570 -0.158 0.000 2.447 358 I HA 0.155 4.292 4.170 -0.054 0.000 0.287 358 I C -0.662 175.394 176.117 -0.101 0.000 1.023 358 I CA -0.535 60.766 61.300 0.001 0.000 1.083 358 I CB 1.949 40.014 38.000 0.108 0.000 1.245 358 I HN 0.244 nan 8.210 nan 0.000 0.434 359 W N 5.587 127.027 121.300 0.234 0.000 2.478 359 W HA 0.375 5.003 4.660 -0.054 0.000 0.318 359 W C 0.140 176.823 176.519 0.273 0.000 1.062 359 W CA -0.799 56.669 57.345 0.205 0.000 1.210 359 W CB 1.907 31.456 29.460 0.148 0.000 1.325 359 W HN 0.344 nan 8.180 nan 0.000 0.496 360 K N 2.206 122.873 120.400 0.446 0.000 2.322 360 K HA 0.325 4.612 4.320 -0.054 0.000 0.283 360 K C -0.795 175.939 176.600 0.224 0.000 1.042 360 K CA -0.058 56.433 56.287 0.339 0.000 0.958 360 K CB 0.897 33.555 32.500 0.263 0.000 0.984 360 K HN 0.233 nan 8.250 nan 0.000 0.473 361 V N 4.668 124.634 119.914 0.087 0.000 2.334 361 V HA 0.101 4.188 4.120 -0.054 0.000 0.281 361 V C -0.243 175.842 176.094 -0.015 0.000 1.016 361 V CA -0.908 61.438 62.300 0.076 0.000 0.832 361 V CB 1.004 32.894 31.823 0.112 0.000 0.999 361 V HN 0.713 nan 8.190 nan 0.000 0.439 362 N N 3.736 122.445 118.700 0.015 0.000 3.194 362 N HA 0.152 4.859 4.740 -0.054 0.000 0.271 362 N C 0.068 175.567 175.510 -0.019 0.000 1.308 362 N CA -0.495 52.546 53.050 -0.015 0.000 1.042 362 N CB 0.721 39.214 38.487 0.010 0.000 1.310 362 N HN 0.683 nan 8.380 nan 0.000 0.502 363 Q N 1.510 121.283 119.800 -0.044 0.000 2.337 363 Q HA 0.045 4.352 4.340 -0.054 0.000 0.255 363 Q C -0.709 175.263 176.000 -0.046 0.000 1.205 363 Q CA 0.501 56.274 55.803 -0.050 0.000 0.902 363 Q CB -0.182 28.510 28.738 -0.076 0.000 1.433 363 Q HN 0.386 nan 8.270 nan 0.000 0.471 364 E N 2.344 122.525 120.200 -0.032 0.000 2.223 364 E HA 0.417 4.735 4.350 -0.054 0.000 0.282 364 E C 0.387 176.975 176.600 -0.020 0.000 1.046 364 E CA 0.460 56.847 56.400 -0.021 0.000 0.857 364 E CB 0.619 30.311 29.700 -0.014 0.000 1.055 364 E HN 0.961 nan 8.360 nan 0.000 0.409 365 G N 3.569 112.362 108.800 -0.012 0.000 2.551 365 G HA2 -0.199 3.729 3.960 -0.054 0.000 0.186 365 G HA3 -0.199 3.729 3.960 -0.054 0.000 0.186 365 G C 0.776 175.676 174.900 -0.001 0.000 1.002 365 G CA -0.251 44.845 45.100 -0.007 0.000 0.723 365 G HN 0.547 nan 8.290 nan 0.000 0.481 366 E N -0.033 120.161 120.200 -0.009 0.000 2.307 366 E HA 0.076 4.394 4.350 -0.054 0.000 0.195 366 E C 1.973 178.601 176.600 0.048 0.000 0.975 366 E CA 0.168 56.568 56.400 0.001 0.000 0.878 366 E CB 0.097 29.760 29.700 -0.062 0.000 0.845 366 E HN 0.324 nan 8.360 nan 0.000 0.488 367 E N 1.785 122.005 120.200 0.032 0.000 2.070 367 E HA -0.238 4.080 4.350 -0.054 0.000 0.197 367 E C 1.359 178.022 176.600 0.104 0.000 1.004 367 E CA 1.296 57.738 56.400 0.070 0.000 0.805 367 E CB 0.039 29.761 29.700 0.037 0.000 0.744 367 E HN 0.238 nan 8.360 nan 0.000 0.451 368 D N 0.069 120.507 120.400 0.064 0.000 2.084 368 D HA -0.170 4.437 4.640 -0.054 0.000 0.196 368 D C 2.169 178.502 176.300 0.054 0.000 0.985 368 D CA 1.576 55.604 54.000 0.047 0.000 0.826 368 D CB -0.266 40.548 40.800 0.024 0.000 0.978 368 D HN 0.375 nan 8.370 nan 0.000 0.456 369 R N -0.126 120.417 120.500 0.072 0.000 2.189 369 R HA -0.055 4.252 4.340 -0.054 0.000 0.223 369 R C 2.155 178.532 176.300 0.128 0.000 1.092 369 R CA 0.680 56.823 56.100 0.070 0.000 0.989 369 R CB -0.727 29.619 30.300 0.077 0.000 0.876 369 R HN 0.093 nan 8.270 nan 0.000 0.457 370 F N 2.074 122.039 119.950 0.025 0.000 2.456 370 F HA 0.053 4.545 4.527 -0.058 0.000 0.298 370 F C 2.146 177.972 175.800 0.044 0.000 1.104 370 F CA 0.907 58.949 58.000 0.069 0.000 1.435 370 F CB 0.080 39.100 39.000 0.033 0.000 1.078 370 F HN -0.056 nan 8.300 nan 0.000 0.546 371 Q N 0.340 120.142 119.800 0.004 0.000 2.181 371 Q HA -0.191 4.116 4.340 -0.054 0.000 0.205 371 Q C 2.500 178.387 176.000 -0.189 0.000 0.980 371 Q CA 1.256 57.007 55.803 -0.087 0.000 0.862 371 Q CB -0.709 28.013 28.738 -0.027 0.000 0.905 371 Q HN 0.517 nan 8.270 nan 0.000 0.429 372 A N 1.029 123.705 122.820 -0.241 0.000 1.917 372 A HA -0.196 4.091 4.320 -0.054 0.000 0.219 372 A C 1.370 178.686 177.584 -0.447 0.000 1.182 372 A CA 1.463 53.277 52.037 -0.371 0.000 0.633 372 A CB -0.727 17.965 19.000 -0.514 0.000 0.819 372 A HN 0.426 nan 8.150 nan 0.000 0.448 373 H N 0.325 119.238 119.070 -0.262 0.000 2.610 373 H HA 0.142 4.665 4.556 -0.055 0.000 0.302 373 H C 1.894 177.053 175.328 -0.280 0.000 1.063 373 H CA 0.652 56.540 56.048 -0.266 0.000 1.159 373 H CB -0.251 29.322 29.762 -0.315 0.000 1.427 373 H HN 0.710 nan 8.280 nan 0.000 0.553 374 S N 0.336 115.930 115.700 -0.177 0.000 2.383 374 S HA -0.198 4.239 4.470 -0.054 0.000 0.229 374 S C 2.356 176.908 174.600 -0.081 0.000 1.030 374 S CA 1.330 59.449 58.200 -0.135 0.000 1.002 374 S CB -0.194 62.943 63.200 -0.105 0.000 0.829 374 S HN 0.547 nan 8.310 nan 0.000 0.467 375 K N 0.695 121.055 120.400 -0.067 0.000 2.296 375 K HA 0.363 4.651 4.320 -0.054 0.000 0.200 375 K C 0.876 177.459 176.600 -0.029 0.000 1.048 375 K CA 0.754 57.015 56.287 -0.042 0.000 0.966 375 K CB -0.949 31.527 32.500 -0.040 0.000 0.754 375 K HN 0.396 nan 8.250 nan 0.000 0.466 376 L N 1.934 123.143 121.223 -0.023 0.000 2.407 376 L HA 0.415 4.723 4.340 -0.054 0.000 0.282 376 L C 1.032 177.888 176.870 -0.023 0.000 1.110 376 L CA -0.549 54.286 54.840 -0.008 0.000 0.863 376 L CB 0.229 42.304 42.059 0.027 0.000 1.207 376 L HN 0.329 nan 8.230 nan 0.000 0.454 377 G N 3.232 112.025 108.800 -0.011 0.000 2.624 377 G HA2 0.050 3.977 3.960 -0.054 0.000 0.217 377 G HA3 0.050 3.977 3.960 -0.054 0.000 0.217 377 G C 0.099 175.001 174.900 0.004 0.000 1.506 377 G CA -0.231 44.866 45.100 -0.005 0.000 1.072 377 G HN 0.829 nan 8.290 nan 0.000 0.568 378 N N -0.613 118.095 118.700 0.014 0.000 2.642 378 N HA -0.162 4.545 4.740 -0.054 0.000 0.269 378 N C -0.315 175.205 175.510 0.017 0.000 1.073 378 N CA 0.466 53.532 53.050 0.026 0.000 0.748 378 N CB -0.778 37.736 38.487 0.045 0.000 0.894 378 N HN 0.584 nan 8.380 nan 0.000 0.548 379 R N 1.212 121.717 120.500 0.010 0.000 2.294 379 R HA 0.452 4.760 4.340 -0.054 0.000 0.319 379 R C 0.150 176.438 176.300 -0.020 0.000 0.984 379 R CA -0.657 55.444 56.100 0.003 0.000 0.861 379 R CB 1.731 32.047 30.300 0.026 0.000 1.104 379 R HN 0.264 nan 8.270 nan 0.000 0.451 380 K N 2.544 122.912 120.400 -0.055 0.000 2.385 380 K HA 0.367 4.654 4.320 -0.054 0.000 0.248 380 K C -1.383 175.131 176.600 -0.143 0.000 0.955 380 K CA -0.989 55.240 56.287 -0.096 0.000 0.816 380 K CB 1.517 33.959 32.500 -0.097 0.000 1.250 380 K HN 0.251 nan 8.250 nan 0.000 0.434 381 L N 5.077 126.210 121.223 -0.149 0.000 2.255 381 L HA 0.411 4.718 4.340 -0.054 0.000 0.289 381 L C -1.361 175.437 176.870 -0.119 0.000 1.046 381 L CA -0.085 54.676 54.840 -0.131 0.000 0.816 381 L CB 0.464 42.467 42.059 -0.095 0.000 1.197 381 L HN 0.520 nan 8.230 nan 0.000 0.427 382 L N 3.363 124.504 121.223 -0.137 0.000 2.303 382 L HA 0.525 4.832 4.340 -0.054 0.000 0.266 382 L C -0.868 176.044 176.870 0.071 0.000 1.011 382 L CA -0.753 54.055 54.840 -0.052 0.000 0.818 382 L CB 1.457 43.448 42.059 -0.113 0.000 1.326 382 L HN 0.489 nan 8.230 nan 0.000 0.435 383 W N -0.443 120.995 121.300 0.230 0.000 2.313 383 W HA 0.378 5.020 4.660 -0.029 0.000 0.328 383 W C -0.150 176.544 176.519 0.292 0.000 1.197 383 W CA 0.122 57.585 57.345 0.197 0.000 1.235 383 W CB 0.645 30.119 29.460 0.024 0.000 1.158 383 W HN 0.360 nan 8.180 nan 0.000 0.578 384 H N 0.872 120.192 119.070 0.418 0.000 3.177 384 H HA 0.393 4.915 4.556 -0.057 0.000 0.314 384 H C 0.114 175.581 175.328 0.232 0.000 1.059 384 H CA -0.553 55.594 56.048 0.165 0.000 1.515 384 H CB 0.307 30.042 29.762 -0.044 0.000 1.672 384 H HN 0.507 nan 8.280 nan 0.000 0.514 385 G N 2.490 111.215 108.800 -0.124 0.000 2.432 385 G HA2 0.436 4.363 3.960 -0.054 0.000 0.257 385 G HA3 0.436 4.363 3.960 -0.054 0.000 0.257 385 G C -0.606 174.210 174.900 -0.139 0.000 1.238 385 G CA -0.001 45.077 45.100 -0.037 0.000 0.838 385 G HN 0.598 nan 8.290 nan 0.000 0.547 386 T N 0.014 114.590 114.554 0.037 0.000 2.932 386 T HA 0.436 4.753 4.350 -0.054 0.000 0.318 386 T C -0.357 174.406 174.700 0.105 0.000 1.265 386 T CA -0.887 61.262 62.100 0.082 0.000 1.036 386 T CB 0.985 69.997 68.868 0.240 0.000 1.209 386 T HN 0.815 nan 8.240 nan 0.000 0.484 387 N N 3.355 122.114 118.700 0.098 0.000 2.503 387 N HA 0.234 4.941 4.740 -0.054 0.000 0.267 387 N C 1.372 176.939 175.510 0.095 0.000 1.214 387 N CA -0.630 52.471 53.050 0.084 0.000 0.959 387 N CB 0.443 38.972 38.487 0.070 0.000 1.142 387 N HN 0.710 nan 8.380 nan 0.000 0.455 388 M N 0.628 120.271 119.600 0.073 0.000 2.435 388 M HA -0.116 4.332 4.480 -0.054 0.000 0.262 388 M C 1.449 177.752 176.300 0.004 0.000 1.065 388 M CA 1.344 56.681 55.300 0.062 0.000 1.076 388 M CB -0.194 32.433 32.600 0.046 0.000 1.403 388 M HN 0.838 nan 8.290 nan 0.000 0.454 389 A N -0.546 122.301 122.820 0.046 0.000 2.066 389 A HA -0.054 4.233 4.320 -0.054 0.000 0.218 389 A C 1.785 179.497 177.584 0.214 0.000 1.157 389 A CA 1.488 53.605 52.037 0.132 0.000 0.670 389 A CB -0.655 18.465 19.000 0.200 0.000 0.804 389 A HN 0.564 nan 8.150 nan 0.000 0.453 390 V N -4.199 115.803 119.914 0.146 0.000 3.643 390 V HA 0.107 4.194 4.120 -0.054 0.000 0.280 390 V C 1.791 177.963 176.094 0.131 0.000 1.351 390 V CA 0.823 63.206 62.300 0.139 0.000 1.073 390 V CB -0.346 31.555 31.823 0.130 0.000 0.863 390 V HN 0.068 nan 8.190 nan 0.000 0.436 391 V N 1.908 121.905 119.914 0.139 0.000 2.282 391 V HA -0.294 3.794 4.120 -0.054 0.000 0.249 391 V C 3.175 179.323 176.094 0.091 0.000 1.057 391 V CA 2.827 65.249 62.300 0.203 0.000 1.032 391 V CB -1.360 30.493 31.823 0.050 0.000 0.645 391 V HN 0.701 nan 8.190 nan 0.000 0.447 392 A N -0.017 122.756 122.820 -0.078 0.000 1.865 392 A HA -0.200 4.088 4.320 -0.054 0.000 0.217 392 A C 2.481 180.031 177.584 -0.056 0.000 1.191 392 A CA 2.518 54.438 52.037 -0.195 0.000 0.623 392 A CB -1.081 17.634 19.000 -0.475 0.000 0.826 392 A HN 0.641 nan 8.150 nan 0.000 0.444 393 A N -0.201 122.618 122.820 -0.003 0.000 1.917 393 A HA -0.179 4.108 4.320 -0.054 0.000 0.219 393 A C 2.141 179.717 177.584 -0.014 0.000 1.182 393 A CA 1.814 53.859 52.037 0.014 0.000 0.633 393 A CB -0.699 18.323 19.000 0.037 0.000 0.819 393 A HN 0.551 nan 8.150 nan 0.000 0.448 394 I N -0.639 119.915 120.570 -0.026 0.000 2.252 394 I HA -0.197 3.940 4.170 -0.054 0.000 0.245 394 I C 2.135 178.160 176.117 -0.153 0.000 1.102 394 I CA 0.885 62.102 61.300 -0.137 0.000 1.385 394 I CB -0.304 37.520 38.000 -0.292 0.000 1.064 394 I HN 0.267 nan 8.210 nan 0.000 0.414 395 L N 0.267 121.458 121.223 -0.054 0.000 2.450 395 L HA -0.161 4.147 4.340 -0.054 0.000 0.224 395 L C 2.161 179.009 176.870 -0.037 0.000 1.149 395 L CA 1.126 55.953 54.840 -0.021 0.000 0.816 395 L CB -0.638 41.441 42.059 0.033 0.000 0.932 395 L HN 0.344 nan 8.230 nan 0.000 0.449 396 T N -2.865 111.669 114.554 -0.034 0.000 3.045 396 T HA 0.021 4.338 4.350 -0.054 0.000 0.239 396 T C 1.825 176.506 174.700 -0.032 0.000 1.008 396 T CA 0.741 62.829 62.100 -0.020 0.000 1.143 396 T CB 0.375 69.250 68.868 0.012 0.000 0.894 396 T HN 0.131 nan 8.240 nan 0.000 0.451 397 S N -0.114 115.562 115.700 -0.040 0.000 2.512 397 S HA 0.534 4.971 4.470 -0.054 0.000 0.216 397 S C 1.038 175.600 174.600 -0.063 0.000 1.006 397 S CA 0.154 58.331 58.200 -0.039 0.000 0.915 397 S CB 0.508 63.694 63.200 -0.023 0.000 0.824 397 S HN 0.848 nan 8.310 nan 0.000 0.497 398 G N 1.613 110.352 108.800 -0.103 0.000 2.760 398 G HA2 -0.195 3.732 3.960 -0.054 0.000 0.246 398 G HA3 -0.195 3.732 3.960 -0.054 0.000 0.246 398 G C -0.707 174.100 174.900 -0.155 0.000 1.359 398 G CA -0.916 44.096 45.100 -0.147 0.000 0.861 398 G HN 0.321 nan 8.290 nan 0.000 0.541 399 L N 0.304 121.419 121.223 -0.180 0.000 2.416 399 L HA 0.549 4.856 4.340 -0.054 0.000 0.272 399 L C 1.046 177.860 176.870 -0.093 0.000 1.161 399 L CA -0.001 54.733 54.840 -0.177 0.000 0.845 399 L CB 0.691 42.606 42.059 -0.240 0.000 1.119 399 L HN 0.579 nan 8.230 nan 0.000 0.464 400 R N 3.570 124.029 120.500 -0.068 0.000 2.628 400 R HA 0.503 4.810 4.340 -0.054 0.000 0.288 400 R C -0.943 175.353 176.300 -0.006 0.000 0.980 400 R CA -0.672 55.413 56.100 -0.026 0.000 0.891 400 R CB 2.184 32.476 30.300 -0.015 0.000 1.188 400 R HN 0.494 nan 8.270 nan 0.000 0.450 401 I N 4.339 124.915 120.570 0.009 0.000 2.389 401 I HA 0.089 4.226 4.170 -0.054 0.000 0.295 401 I C 0.024 176.155 176.117 0.023 0.000 1.117 401 I CA 0.204 61.522 61.300 0.029 0.000 1.317 401 I CB 0.333 38.359 38.000 0.043 0.000 1.431 401 I HN 0.331 nan 8.210 nan 0.000 0.521 402 M N 8.438 128.058 119.600 0.032 0.000 2.314 402 M HA 0.410 4.858 4.480 -0.054 0.000 0.342 402 M C -2.309 173.987 176.300 -0.008 0.000 1.171 402 M CA -2.784 52.528 55.300 0.019 0.000 1.098 402 M CB 0.328 32.960 32.600 0.053 0.000 1.559 402 M HN 0.084 nan 8.290 nan 0.000 0.459 403 P HA 0.185 nan 4.420 nan 0.000 0.271 403 P C -0.613 176.593 177.300 -0.156 0.000 1.216 403 P CA 0.517 63.486 63.100 -0.220 0.000 0.776 403 P CB 0.292 31.783 31.700 -0.348 0.000 0.881 404 H N -1.724 117.324 119.070 -0.036 0.000 3.636 404 H HA -0.141 4.382 4.556 -0.055 0.000 0.179 404 H C -0.042 175.340 175.328 0.091 0.000 0.968 404 H CA 1.044 57.114 56.048 0.037 0.000 1.220 404 H CB -1.979 27.826 29.762 0.072 0.000 1.023 404 H HN 0.478 nan 8.280 nan 0.000 0.366 405 S N 0.765 116.558 115.700 0.156 0.000 2.465 405 S HA 0.617 5.054 4.470 -0.054 0.000 0.279 405 S C 0.804 175.480 174.600 0.126 0.000 1.201 405 S CA -0.002 58.280 58.200 0.137 0.000 1.053 405 S CB 2.020 65.290 63.200 0.116 0.000 0.953 405 S HN 0.601 nan 8.310 nan 0.000 0.488 406 G N 1.193 110.061 108.800 0.113 0.000 2.644 406 G HA2 0.879 4.807 3.960 -0.054 0.000 0.307 406 G HA3 0.879 4.807 3.960 -0.054 0.000 0.307 406 G C -0.219 174.734 174.900 0.089 0.000 1.250 406 G CA -0.703 44.470 45.100 0.121 0.000 0.996 406 G HN 1.213 nan 8.290 nan 0.000 0.489 407 G N -1.438 107.451 108.800 0.148 0.000 2.548 407 G HA2 0.393 4.320 3.960 -0.054 0.000 0.301 407 G HA3 0.393 4.320 3.960 -0.054 0.000 0.301 407 G C 0.161 175.205 174.900 0.240 0.000 1.349 407 G CA -0.722 44.447 45.100 0.115 0.000 0.792 407 G HN 0.511 nan 8.290 nan 0.000 0.481 408 R N -1.191 119.478 120.500 0.282 0.000 2.280 408 R HA 0.073 4.381 4.340 -0.054 0.000 0.207 408 R C 0.949 177.495 176.300 0.411 0.000 1.043 408 R CA 0.947 57.243 56.100 0.328 0.000 1.006 408 R CB 0.003 30.532 30.300 0.382 0.000 0.885 408 R HN 0.197 nan 8.270 nan 0.000 0.467 409 V N -0.813 119.369 119.914 0.447 0.000 3.078 409 V HA 0.340 4.428 4.120 -0.054 0.000 0.344 409 V C 0.627 176.887 176.094 0.277 0.000 1.409 409 V CA 0.137 62.608 62.300 0.286 0.000 1.146 409 V CB 0.295 32.167 31.823 0.082 0.000 1.126 409 V HN 0.551 nan 8.190 nan 0.000 0.513 410 G N 1.319 110.312 108.800 0.321 0.000 2.545 410 G HA2 -0.226 3.701 3.960 -0.054 0.000 0.216 410 G HA3 -0.226 3.701 3.960 -0.054 0.000 0.216 410 G C -0.220 174.883 174.900 0.338 0.000 1.314 410 G CA -0.043 45.224 45.100 0.280 0.000 0.906 410 G HN 0.405 nan 8.290 nan 0.000 0.563 411 K N 1.069 121.650 120.400 0.303 0.000 2.290 411 K HA 0.570 4.858 4.320 -0.054 0.000 0.250 411 K C 0.566 177.338 176.600 0.287 0.000 1.092 411 K CA 0.389 56.833 56.287 0.262 0.000 1.006 411 K CB -0.241 32.358 32.500 0.165 0.000 1.549 411 K HN 1.252 nan 8.250 nan 0.000 0.436 412 G N 2.615 111.511 108.800 0.160 0.000 2.815 412 G HA2 0.400 4.327 3.960 -0.054 0.000 0.305 412 G HA3 0.400 4.327 3.960 -0.054 0.000 0.305 412 G C -1.238 173.637 174.900 -0.041 0.000 1.277 412 G CA -0.841 44.202 45.100 -0.094 0.000 0.795 412 G HN 0.369 nan 8.290 nan 0.000 0.528 413 I N 0.897 121.380 120.570 -0.145 0.000 2.321 413 I HA 0.332 4.470 4.170 -0.054 0.000 0.291 413 I C -0.979 175.093 176.117 -0.075 0.000 0.998 413 I CA -0.538 60.735 61.300 -0.046 0.000 1.227 413 I CB 1.203 39.202 38.000 -0.002 0.000 1.368 413 I HN 0.323 nan 8.210 nan 0.000 0.466 414 Y N 5.712 125.897 120.300 -0.193 0.000 2.308 414 Y HA 0.526 5.042 4.550 -0.056 0.000 0.329 414 Y C -0.309 175.435 175.900 -0.260 0.000 1.111 414 Y CA -0.227 57.813 58.100 -0.100 0.000 1.179 414 Y CB 1.162 39.566 38.460 -0.093 0.000 1.201 414 Y HN 0.349 nan 8.280 nan 0.000 0.483 415 F N 0.940 121.023 119.950 0.222 0.000 2.599 415 F HA 0.780 5.275 4.527 -0.053 0.000 0.311 415 F C -0.330 175.587 175.800 0.195 0.000 1.076 415 F CA -1.088 57.035 58.000 0.206 0.000 0.937 415 F CB 1.845 40.890 39.000 0.076 0.000 1.282 415 F HN 0.439 nan 8.300 nan 0.000 0.460 416 A N 0.245 123.280 122.820 0.358 0.000 2.401 416 A HA 0.591 4.878 4.320 -0.054 0.000 0.310 416 A C 0.267 177.986 177.584 0.225 0.000 1.075 416 A CA -0.002 52.205 52.037 0.283 0.000 0.746 416 A CB 1.400 20.560 19.000 0.267 0.000 1.277 416 A HN 0.863 nan 8.150 nan 0.000 0.425 417 S N 0.679 116.466 115.700 0.145 0.000 2.470 417 S HA 0.086 4.523 4.470 -0.054 0.000 0.222 417 S C 0.244 175.070 174.600 0.378 0.000 1.024 417 S CA 0.417 58.736 58.200 0.200 0.000 0.931 417 S CB -0.197 63.053 63.200 0.084 0.000 0.791 417 S HN 0.708 nan 8.310 nan 0.000 0.513 418 E N 2.566 122.916 120.200 0.250 0.000 2.167 418 E HA 0.219 4.536 4.350 -0.054 0.000 0.284 418 E C 0.572 177.150 176.600 -0.037 0.000 1.016 418 E CA -0.400 56.082 56.400 0.136 0.000 0.817 418 E CB 0.743 30.508 29.700 0.107 0.000 1.080 418 E HN 0.333 nan 8.360 nan 0.000 0.397 419 N N 2.684 121.181 118.700 -0.337 0.000 2.094 419 N HA -0.222 4.485 4.740 -0.054 0.000 0.191 419 N C 1.473 176.725 175.510 -0.430 0.000 1.023 419 N CA 2.010 54.549 53.050 -0.851 0.000 0.857 419 N CB 0.107 37.956 38.487 -1.063 0.000 1.013 419 N HN 0.425 nan 8.380 nan 0.000 0.426 420 S N -0.066 115.490 115.700 -0.239 0.000 2.469 420 S HA -0.124 4.314 4.470 -0.054 0.000 0.238 420 S C 1.815 176.366 174.600 -0.082 0.000 0.998 420 S CA 1.023 59.134 58.200 -0.149 0.000 0.957 420 S CB -0.118 63.028 63.200 -0.089 0.000 0.764 420 S HN 0.302 nan 8.310 nan 0.000 0.514 421 K N 1.911 122.298 120.400 -0.021 0.000 2.031 421 K HA 0.182 4.469 4.320 -0.054 0.000 0.205 421 K C 2.208 178.916 176.600 0.181 0.000 1.049 421 K CA 1.648 57.988 56.287 0.087 0.000 0.939 421 K CB -0.871 31.724 32.500 0.158 0.000 0.717 421 K HN 0.277 nan 8.250 nan 0.000 0.438 422 S N 0.151 115.926 115.700 0.126 0.000 2.406 422 S HA 0.015 4.452 4.470 -0.054 0.000 0.228 422 S C 1.844 176.526 174.600 0.135 0.000 1.020 422 S CA 0.898 59.211 58.200 0.189 0.000 0.965 422 S CB -0.294 62.973 63.200 0.112 0.000 0.798 422 S HN 0.510 nan 8.310 nan 0.000 0.488 423 A N 1.115 123.905 122.820 -0.049 0.000 2.121 423 A HA 0.157 4.445 4.320 -0.054 0.000 0.218 423 A C 2.127 179.651 177.584 -0.100 0.000 1.154 423 A CA 1.283 53.262 52.037 -0.096 0.000 0.679 423 A CB -0.923 17.972 19.000 -0.176 0.000 0.795 423 A HN 0.504 nan 8.150 nan 0.000 0.458 424 G N -1.794 106.914 108.800 -0.154 0.000 2.509 424 G HA2 -0.088 3.839 3.960 -0.054 0.000 0.218 424 G HA3 -0.088 3.839 3.960 -0.054 0.000 0.218 424 G C 1.010 175.645 174.900 -0.442 0.000 1.124 424 G CA 0.900 45.797 45.100 -0.339 0.000 0.776 424 G HN 0.651 nan 8.290 nan 0.000 0.547 425 Y N -0.527 119.728 120.300 -0.075 0.000 2.507 425 Y HA 0.374 4.891 4.550 -0.056 0.000 0.254 425 Y C 0.652 176.515 175.900 -0.061 0.000 1.171 425 Y CA -0.578 57.478 58.100 -0.073 0.000 1.238 425 Y CB 0.778 39.175 38.460 -0.105 0.000 1.148 425 Y HN -0.087 nan 8.280 nan 0.000 0.525 426 V N 3.501 123.440 119.914 0.042 0.000 2.258 426 V HA 0.102 4.190 4.120 -0.054 0.000 0.258 426 V C 0.173 176.262 176.094 -0.008 0.000 1.121 426 V CA -0.824 61.487 62.300 0.019 0.000 0.942 426 V CB -0.416 31.401 31.823 -0.010 0.000 1.170 426 V HN 0.134 nan 8.190 nan 0.000 0.487 427 I N 3.847 124.423 120.570 0.010 0.000 2.662 427 I HA 0.088 4.225 4.170 -0.054 0.000 0.285 427 I C 1.278 177.399 176.117 0.007 0.000 1.161 427 I CA 0.763 62.064 61.300 0.002 0.000 1.415 427 I CB 0.308 38.317 38.000 0.016 0.000 1.385 427 I HN 0.564 nan 8.210 nan 0.000 0.552 428 G N 8.116 116.924 108.800 0.014 0.000 2.355 428 G HA2 0.428 4.355 3.960 -0.054 0.000 0.276 428 G HA3 0.428 4.355 3.960 -0.054 0.000 0.276 428 G C -0.016 174.974 174.900 0.150 0.000 1.198 428 G CA -0.647 44.503 45.100 0.083 0.000 0.876 428 G HN 0.445 nan 8.290 nan 0.000 0.478 429 M N 2.019 121.639 119.600 0.033 0.000 2.268 429 M HA 0.295 4.742 4.480 -0.054 0.000 0.344 429 M C 0.182 176.332 176.300 -0.250 0.000 1.106 429 M CA -0.494 54.765 55.300 -0.069 0.000 1.010 429 M CB 2.085 34.643 32.600 -0.071 0.000 1.649 429 M HN 0.400 nan 8.290 nan 0.000 0.443 430 K N 1.201 121.383 120.400 -0.364 0.000 2.270 430 K HA 0.307 4.594 4.320 -0.054 0.000 0.276 430 K C -0.546 175.799 176.600 -0.424 0.000 1.023 430 K CA -0.127 55.819 56.287 -0.569 0.000 0.955 430 K CB 0.818 33.036 32.500 -0.470 0.000 0.975 430 K HN 0.660 nan 8.250 nan 0.000 0.471 431 C N 2.950 121.907 119.300 -0.571 0.000 3.493 431 C HA 0.345 4.772 4.460 -0.054 0.000 0.228 431 C C 1.048 175.702 174.990 -0.559 0.000 1.227 431 C CA -0.012 58.688 59.018 -0.530 0.000 1.291 431 C CB -0.582 26.821 27.740 -0.562 0.000 1.820 431 C HN 1.176 nan 8.230 nan 0.000 0.547 432 G N 2.155 110.766 108.800 -0.315 0.000 4.526 432 G HA2 -0.180 3.748 3.960 -0.054 0.000 0.217 432 G HA3 -0.180 3.748 3.960 -0.054 0.000 0.217 432 G C 0.826 175.632 174.900 -0.157 0.000 1.428 432 G CA 0.720 45.711 45.100 -0.183 0.000 0.928 432 G HN 1.458 nan 8.290 nan 0.000 0.639 433 A N -0.241 122.477 122.820 -0.170 0.000 2.295 433 A HA 0.618 4.905 4.320 -0.054 0.000 0.193 433 A C 0.408 177.970 177.584 -0.037 0.000 1.512 433 A CA 1.268 53.273 52.037 -0.054 0.000 1.103 433 A CB 0.111 19.140 19.000 0.047 0.000 1.331 433 A HN 1.743 nan 8.150 nan 0.000 0.501 434 H N -1.676 117.322 119.070 -0.121 0.000 2.616 434 H HA 0.735 5.259 4.556 -0.054 0.000 0.353 434 H C -0.733 174.416 175.328 -0.299 0.000 1.170 434 H CA -0.813 55.135 56.048 -0.166 0.000 1.212 434 H CB 0.544 30.161 29.762 -0.241 0.000 1.653 434 H HN 0.177 nan 8.280 nan 0.000 0.537 435 H N 1.782 120.743 119.070 -0.182 0.000 2.597 435 H HA 0.282 4.805 4.556 -0.055 0.000 0.303 435 H C -0.520 174.659 175.328 -0.248 0.000 1.057 435 H CA -0.673 55.253 56.048 -0.203 0.000 1.261 435 H CB 1.302 30.986 29.762 -0.129 0.000 1.397 435 H HN 0.360 nan 8.280 nan 0.000 0.461 436 V N 3.035 122.839 119.914 -0.184 0.000 2.546 436 V HA 0.518 4.605 4.120 -0.054 0.000 0.284 436 V C 0.875 176.839 176.094 -0.217 0.000 1.050 436 V CA -0.517 61.655 62.300 -0.213 0.000 0.981 436 V CB 1.532 33.261 31.823 -0.157 0.000 0.990 436 V HN 0.902 nan 8.190 nan 0.000 0.474 437 G N 2.538 111.146 108.800 -0.321 0.000 2.696 437 G HA2 0.660 4.588 3.960 -0.054 0.000 0.295 437 G HA3 0.660 4.588 3.960 -0.054 0.000 0.295 437 G C -2.139 172.479 174.900 -0.471 0.000 1.398 437 G CA -0.469 44.453 45.100 -0.297 0.000 0.920 437 G HN 0.402 nan 8.290 nan 0.000 0.492 438 Y N 0.323 120.618 120.300 -0.008 0.000 2.376 438 Y HA 0.710 5.225 4.550 -0.058 0.000 0.340 438 Y C 0.481 176.311 175.900 -0.118 0.000 0.965 438 Y CA -0.784 57.279 58.100 -0.062 0.000 1.078 438 Y CB 2.403 40.780 38.460 -0.139 0.000 1.193 438 Y HN 0.315 nan 8.280 nan 0.000 0.452 439 M N 3.543 123.177 119.600 0.056 0.000 2.464 439 M HA 0.502 4.949 4.480 -0.054 0.000 0.308 439 M C -1.599 174.734 176.300 0.055 0.000 1.127 439 M CA -0.611 54.741 55.300 0.086 0.000 0.913 439 M CB 2.211 34.931 32.600 0.200 0.000 1.689 439 M HN 0.403 nan 8.290 nan 0.000 0.445 440 F N 2.032 122.188 119.950 0.343 0.000 2.399 440 F HA 0.596 5.087 4.527 -0.060 0.000 0.334 440 F C -0.216 175.759 175.800 0.291 0.000 1.097 440 F CA -0.553 57.626 58.000 0.299 0.000 1.076 440 F CB 0.987 40.130 39.000 0.239 0.000 1.162 440 F HN 0.357 nan 8.300 nan 0.000 0.495 441 L N 1.935 123.377 121.223 0.366 0.000 2.317 441 L HA 0.727 5.035 4.340 -0.054 0.000 0.281 441 L C 0.188 177.158 176.870 0.166 0.000 1.024 441 L CA -0.550 54.364 54.840 0.123 0.000 0.810 441 L CB 1.642 43.684 42.059 -0.030 0.000 1.240 441 L HN 0.776 nan 8.230 nan 0.000 0.427 442 G N 1.520 110.390 108.800 0.117 0.000 2.495 442 G HA2 0.367 4.295 3.960 -0.054 0.000 0.318 442 G HA3 0.367 4.295 3.960 -0.054 0.000 0.318 442 G C -1.330 173.483 174.900 -0.145 0.000 1.257 442 G CA -0.367 44.743 45.100 0.016 0.000 0.962 442 G HN 0.568 nan 8.290 nan 0.000 0.483 443 E N 1.321 121.399 120.200 -0.203 0.000 2.152 443 E HA 0.412 4.729 4.350 -0.054 0.000 0.285 443 E C -0.764 175.710 176.600 -0.211 0.000 1.043 443 E CA -0.363 55.926 56.400 -0.186 0.000 0.839 443 E CB 1.099 30.697 29.700 -0.169 0.000 1.069 443 E HN 0.142 nan 8.360 nan 0.000 0.399 444 V N 3.305 123.093 119.914 -0.210 0.000 2.448 444 V HA 0.431 4.519 4.120 -0.054 0.000 0.295 444 V C 0.057 176.110 176.094 -0.068 0.000 1.025 444 V CA -0.923 61.240 62.300 -0.229 0.000 0.859 444 V CB 1.495 33.007 31.823 -0.518 0.000 0.988 444 V HN 0.784 nan 8.190 nan 0.000 0.431 445 A N 4.988 127.804 122.820 -0.007 0.000 2.666 445 A HA 0.516 4.803 4.320 -0.054 0.000 0.312 445 A C 0.941 178.479 177.584 -0.078 0.000 1.471 445 A CA -0.198 51.809 52.037 -0.049 0.000 1.134 445 A CB -0.253 18.665 19.000 -0.138 0.000 1.129 445 A HN 0.918 nan 8.150 nan 0.000 0.539 446 L N 2.395 123.599 121.223 -0.032 0.000 2.109 446 L HA 0.085 4.393 4.340 -0.054 0.000 0.207 446 L C 2.149 179.039 176.870 0.034 0.000 1.086 446 L CA 1.082 55.926 54.840 0.007 0.000 0.760 446 L CB -0.784 41.310 42.059 0.058 0.000 0.910 446 L HN 0.949 nan 8.230 nan 0.000 0.437 447 G N 0.213 109.030 108.800 0.029 0.000 2.622 447 G HA2 -0.391 3.537 3.960 -0.054 0.000 0.307 447 G HA3 -0.391 3.537 3.960 -0.054 0.000 0.307 447 G C 0.265 175.217 174.900 0.087 0.000 1.226 447 G CA 0.202 45.327 45.100 0.042 0.000 0.997 447 G HN 0.309 nan 8.290 nan 0.000 0.551 448 R N 2.076 122.642 120.500 0.109 0.000 2.242 448 R HA 0.349 4.656 4.340 -0.054 0.000 0.334 448 R C 0.033 176.558 176.300 0.375 0.000 1.071 448 R CA 0.020 56.231 56.100 0.185 0.000 0.922 448 R CB 0.046 30.384 30.300 0.063 0.000 1.023 448 R HN 0.580 nan 8.270 nan 0.000 0.458 449 E N 2.203 122.607 120.200 0.339 0.000 2.313 449 E HA 0.018 4.336 4.350 -0.054 0.000 0.276 449 E C -0.847 175.922 176.600 0.281 0.000 1.031 449 E CA -0.330 56.256 56.400 0.309 0.000 0.857 449 E CB 1.050 30.945 29.700 0.326 0.000 1.040 449 E HN 0.429 nan 8.360 nan 0.000 0.408 450 H N 2.504 121.525 119.070 -0.081 0.000 2.595 450 H HA 0.173 4.696 4.556 -0.055 0.000 0.313 450 H C -1.057 174.212 175.328 -0.099 0.000 1.023 450 H CA -0.465 55.300 56.048 -0.472 0.000 1.218 450 H CB 0.298 29.553 29.762 -0.846 0.000 1.403 450 H HN 0.493 nan 8.280 nan 0.000 0.477 451 H N 6.864 125.542 119.070 -0.654 0.000 2.594 451 H HA 0.241 4.764 4.556 -0.055 0.000 0.304 451 H C 0.235 175.252 175.328 -0.519 0.000 1.068 451 H CA -0.668 55.090 56.048 -0.483 0.000 1.308 451 H CB 1.110 30.734 29.762 -0.230 0.000 1.409 451 H HN 0.591 nan 8.280 nan 0.000 0.460 452 I N 1.142 121.514 120.570 -0.330 0.000 2.750 452 I HA 0.313 4.450 4.170 -0.054 0.000 0.308 452 I C 0.450 176.530 176.117 -0.062 0.000 1.016 452 I CA -1.022 60.181 61.300 -0.163 0.000 1.098 452 I CB 1.903 39.850 38.000 -0.089 0.000 1.279 452 I HN 0.511 nan 8.210 nan 0.000 0.454 453 N N 1.791 120.556 118.700 0.109 0.000 2.305 453 N HA 0.201 4.908 4.740 -0.054 0.000 0.248 453 N C -0.816 174.851 175.510 0.261 0.000 1.290 453 N CA -0.267 52.914 53.050 0.217 0.000 0.873 453 N CB 0.825 39.514 38.487 0.338 0.000 1.261 453 N HN 0.779 nan 8.380 nan 0.000 0.504 454 T N -0.306 114.411 114.554 0.273 0.000 2.900 454 T HA 0.260 4.577 4.350 -0.054 0.000 0.303 454 T C -1.256 173.615 174.700 0.284 0.000 1.142 454 T CA -0.574 61.649 62.100 0.206 0.000 1.007 454 T CB 2.034 70.974 68.868 0.120 0.000 1.156 454 T HN -0.105 nan 8.240 nan 0.000 0.490 455 D N 2.137 122.613 120.400 0.126 0.000 2.423 455 D HA 0.377 4.985 4.640 -0.054 0.000 0.238 455 D C 0.200 176.596 176.300 0.161 0.000 1.142 455 D CA 0.621 54.714 54.000 0.155 0.000 0.884 455 D CB 0.315 41.117 40.800 0.004 0.000 1.199 455 D HN 0.452 nan 8.370 nan 0.000 0.438 456 N N 1.197 120.010 118.700 0.187 0.000 3.153 456 N HA 0.172 4.879 4.740 -0.054 0.000 0.208 456 N C -2.674 172.922 175.510 0.143 0.000 1.462 456 N CA -1.090 52.043 53.050 0.138 0.000 0.754 456 N CB 1.022 39.583 38.487 0.124 0.000 1.558 456 N HN -0.021 nan 8.380 nan 0.000 0.605 457 P HA 0.065 nan 4.420 nan 0.000 0.247 457 P C 0.555 177.920 177.300 0.108 0.000 1.225 457 P CA 0.646 63.828 63.100 0.137 0.000 0.768 457 P CB 0.138 31.904 31.700 0.110 0.000 1.020 458 S N -2.227 113.521 115.700 0.080 0.000 2.524 458 S HA 0.150 4.587 4.470 -0.054 0.000 0.215 458 S C 0.638 175.250 174.600 0.019 0.000 0.986 458 S CA -0.272 57.956 58.200 0.048 0.000 0.911 458 S CB -0.673 62.546 63.200 0.031 0.000 0.805 458 S HN 0.021 nan 8.310 nan 0.000 0.501 459 L N 2.028 123.264 121.223 0.020 0.000 2.455 459 L HA 0.272 4.579 4.340 -0.054 0.000 0.272 459 L C 1.075 177.869 176.870 -0.126 0.000 1.174 459 L CA 0.149 54.939 54.840 -0.083 0.000 0.869 459 L CB 0.559 42.571 42.059 -0.079 0.000 1.130 459 L HN 0.198 nan 8.230 nan 0.000 0.474 460 K N 1.109 121.350 120.400 -0.264 0.000 2.477 460 K HA 0.181 4.469 4.320 -0.054 0.000 0.208 460 K C -0.260 176.070 176.600 -0.451 0.000 1.117 460 K CA -0.010 56.151 56.287 -0.210 0.000 1.039 460 K CB 0.964 33.425 32.500 -0.065 0.000 0.937 460 K HN 0.721 nan 8.250 nan 0.000 0.570 461 S N 0.035 115.268 115.700 -0.778 0.000 2.587 461 S HA 0.503 4.940 4.470 -0.054 0.000 0.269 461 S C -3.171 171.028 174.600 -0.670 0.000 1.154 461 S CA -1.425 56.360 58.200 -0.692 0.000 0.824 461 S CB 1.940 64.999 63.200 -0.235 0.000 1.118 461 S HN -0.256 nan 8.310 nan 0.000 0.462 462 P HA 0.491 nan 4.420 nan 0.000 0.275 462 P C -2.691 174.536 177.300 -0.123 0.000 1.266 462 P CA -1.238 61.785 63.100 -0.129 0.000 0.793 462 P CB -0.823 30.945 31.700 0.113 0.000 1.074 463 P HA 0.165 nan 4.420 nan 0.000 0.270 463 P C -2.364 175.003 177.300 0.112 0.000 1.223 463 P CA -0.936 62.121 63.100 -0.072 0.000 0.785 463 P CB -1.208 30.359 31.700 -0.221 0.000 0.923 464 P HA 0.095 nan 4.420 nan 0.000 0.263 464 P C 0.899 178.175 177.300 -0.039 0.000 1.195 464 P CA 1.189 64.295 63.100 0.011 0.000 0.762 464 P CB -0.014 31.680 31.700 -0.011 0.000 0.799 465 G N 1.550 110.290 108.800 -0.100 0.000 2.213 465 G HA2 -0.210 3.717 3.960 -0.054 0.000 0.226 465 G HA3 -0.210 3.717 3.960 -0.054 0.000 0.226 465 G C -0.184 174.463 174.900 -0.421 0.000 0.992 465 G CA -0.578 44.355 45.100 -0.278 0.000 0.632 465 G HN 0.391 nan 8.290 nan 0.000 0.511 466 F N 1.118 121.061 119.950 -0.012 0.000 2.470 466 F HA 0.618 5.111 4.527 -0.056 0.000 0.329 466 F C 0.883 176.698 175.800 0.025 0.000 1.072 466 F CA -0.776 57.234 58.000 0.016 0.000 0.989 466 F CB 1.527 40.540 39.000 0.022 0.000 1.193 466 F HN -0.098 nan 8.300 nan 0.000 0.481 467 D N -0.338 120.207 120.400 0.241 0.000 2.454 467 D HA 0.075 4.682 4.640 -0.054 0.000 0.214 467 D C 0.007 176.399 176.300 0.154 0.000 1.088 467 D CA 0.575 54.661 54.000 0.144 0.000 0.855 467 D CB 0.666 41.511 40.800 0.076 0.000 1.025 467 D HN 0.401 nan 8.370 nan 0.000 0.502 468 S N -0.361 115.455 115.700 0.193 0.000 2.579 468 S HA 0.606 5.043 4.470 -0.054 0.000 0.272 468 S C -0.899 173.792 174.600 0.152 0.000 1.141 468 S CA -0.783 57.505 58.200 0.146 0.000 0.843 468 S CB 2.553 65.788 63.200 0.059 0.000 1.122 468 S HN -0.166 nan 8.310 nan 0.000 0.468 469 V N 1.747 121.731 119.914 0.116 0.000 2.555 469 V HA 0.581 4.668 4.120 -0.054 0.000 0.302 469 V C -0.764 175.220 176.094 -0.183 0.000 1.038 469 V CA -0.668 61.658 62.300 0.044 0.000 0.887 469 V CB 1.426 33.357 31.823 0.180 0.000 0.991 469 V HN 0.894 nan 8.190 nan 0.000 0.434 470 I N 3.730 124.088 120.570 -0.354 0.000 2.466 470 I HA 0.444 4.581 4.170 -0.054 0.000 0.279 470 I C 0.547 176.245 176.117 -0.699 0.000 1.033 470 I CA -0.637 60.271 61.300 -0.653 0.000 1.123 470 I CB 1.668 39.080 38.000 -0.980 0.000 1.237 470 I HN 0.686 nan 8.210 nan 0.000 0.460 471 A N 7.020 129.430 122.820 -0.684 0.000 2.535 471 A HA 0.215 4.503 4.320 -0.054 0.000 0.290 471 A C 0.397 177.485 177.584 -0.826 0.000 1.270 471 A CA -0.105 51.386 52.037 -0.910 0.000 0.937 471 A CB -0.340 17.669 19.000 -1.650 0.000 1.096 471 A HN 0.560 nan 8.150 nan 0.000 0.534 472 R N 2.176 122.218 120.500 -0.764 0.000 2.316 472 R HA 0.250 4.557 4.340 -0.054 0.000 0.314 472 R C 0.941 176.972 176.300 -0.449 0.000 1.069 472 R CA 0.573 56.202 56.100 -0.786 0.000 0.959 472 R CB 0.929 30.323 30.300 -1.510 0.000 0.987 472 R HN 0.742 nan 8.270 nan 0.000 0.446 473 G N 0.698 109.353 108.800 -0.242 0.000 2.535 473 G HA2 0.063 3.990 3.960 -0.054 0.000 0.282 473 G HA3 0.063 3.990 3.960 -0.054 0.000 0.282 473 G C 0.567 175.464 174.900 -0.005 0.000 1.350 473 G CA -0.393 44.655 45.100 -0.087 0.000 1.039 473 G HN 0.738 nan 8.290 nan 0.000 0.509 474 H N -1.354 117.798 119.070 0.137 0.000 2.457 474 H HA 0.090 4.613 4.556 -0.055 0.000 0.294 474 H C 1.278 176.683 175.328 0.128 0.000 1.064 474 H CA 1.250 57.383 56.048 0.142 0.000 1.330 474 H CB 0.248 30.077 29.762 0.112 0.000 1.395 474 H HN 0.511 nan 8.280 nan 0.000 0.541 475 T N -2.083 112.599 114.554 0.212 0.000 2.901 475 T HA 0.579 4.897 4.350 -0.054 0.000 0.293 475 T C -0.903 173.877 174.700 0.134 0.000 1.084 475 T CA -1.134 61.063 62.100 0.163 0.000 1.008 475 T CB 3.307 72.260 68.868 0.142 0.000 1.170 475 T HN 0.050 nan 8.240 nan 0.000 0.509 476 E N 0.560 120.838 120.200 0.131 0.000 2.343 476 E HA 0.546 4.863 4.350 -0.054 0.000 0.278 476 E C -3.095 173.584 176.600 0.130 0.000 0.910 476 E CA -2.223 54.258 56.400 0.134 0.000 0.757 476 E CB 2.128 31.905 29.700 0.129 0.000 1.218 476 E HN 0.386 nan 8.360 nan 0.000 0.435 477 P HA -0.041 nan 4.420 nan 0.000 0.258 477 P C -0.699 176.665 177.300 0.106 0.000 1.172 477 P CA 0.198 63.379 63.100 0.135 0.000 0.762 477 P CB 0.318 32.120 31.700 0.171 0.000 0.764 478 D N 6.189 126.643 120.400 0.089 0.000 2.660 478 D HA -0.096 4.511 4.640 -0.054 0.000 0.253 478 D C -1.289 175.049 176.300 0.064 0.000 1.256 478 D CA -0.951 53.093 54.000 0.073 0.000 0.914 478 D CB 0.348 41.184 40.800 0.061 0.000 1.137 478 D HN 0.203 nan 8.370 nan 0.000 0.542 479 P HA -0.116 nan 4.420 nan 0.000 0.222 479 P C 1.238 178.563 177.300 0.041 0.000 1.147 479 P CA 1.218 64.353 63.100 0.058 0.000 0.790 479 P CB 0.006 31.749 31.700 0.072 0.000 0.780 480 T N -4.276 110.303 114.554 0.040 0.000 3.118 480 T HA -0.040 4.277 4.350 -0.054 0.000 0.260 480 T C 1.442 176.156 174.700 0.023 0.000 1.139 480 T CA 0.699 62.817 62.100 0.031 0.000 1.085 480 T CB -0.561 68.326 68.868 0.032 0.000 0.934 480 T HN 0.022 nan 8.240 nan 0.000 0.518 481 Q N 1.015 120.830 119.800 0.024 0.000 2.282 481 Q HA 0.211 4.519 4.340 -0.054 0.000 0.206 481 Q C -0.353 175.647 176.000 -0.000 0.000 0.878 481 Q CA -0.029 55.784 55.803 0.017 0.000 0.944 481 Q CB 0.144 28.898 28.738 0.027 0.000 1.100 481 Q HN 0.591 nan 8.270 nan 0.000 0.509 482 D N 1.295 121.692 120.400 -0.005 0.000 2.419 482 D HA 0.063 4.671 4.640 -0.054 0.000 0.236 482 D C 0.221 176.498 176.300 -0.038 0.000 1.165 482 D CA 0.806 54.787 54.000 -0.032 0.000 0.882 482 D CB 1.010 41.797 40.800 -0.021 0.000 1.201 482 D HN -0.096 nan 8.370 nan 0.000 0.443 483 T N 0.138 114.652 114.554 -0.065 0.000 2.716 483 T HA 0.495 4.813 4.350 -0.054 0.000 0.286 483 T C -1.374 173.289 174.700 -0.061 0.000 1.052 483 T CA -0.649 61.420 62.100 -0.053 0.000 1.024 483 T CB 1.190 70.027 68.868 -0.051 0.000 1.349 483 T HN 0.286 nan 8.240 nan 0.000 0.525 484 E N 0.811 120.986 120.200 -0.042 0.000 2.314 484 E HA 0.577 4.894 4.350 -0.054 0.000 0.272 484 E C -1.103 175.485 176.600 -0.021 0.000 0.884 484 E CA -0.678 55.702 56.400 -0.033 0.000 0.753 484 E CB 2.445 32.135 29.700 -0.017 0.000 1.213 484 E HN 0.409 nan 8.360 nan 0.000 0.432 485 L N 0.987 122.203 121.223 -0.011 0.000 2.286 485 L HA 0.487 4.794 4.340 -0.054 0.000 0.265 485 L C -0.207 176.679 176.870 0.026 0.000 1.012 485 L CA -0.760 54.089 54.840 0.014 0.000 0.818 485 L CB 1.775 43.854 42.059 0.033 0.000 1.337 485 L HN 0.522 nan 8.230 nan 0.000 0.438 486 E N 1.748 121.971 120.200 0.038 0.000 2.149 486 E HA 0.415 4.732 4.350 -0.054 0.000 0.255 486 E C -1.574 175.057 176.600 0.051 0.000 0.888 486 E CA -0.382 56.041 56.400 0.039 0.000 0.742 486 E CB 0.869 30.588 29.700 0.032 0.000 1.164 486 E HN 0.388 nan 8.360 nan 0.000 0.422 487 L N 4.775 126.029 121.223 0.053 0.000 2.276 487 L HA 0.333 4.640 4.340 -0.054 0.000 0.286 487 L C -0.326 176.577 176.870 0.054 0.000 1.024 487 L CA -0.626 54.245 54.840 0.051 0.000 0.826 487 L CB 1.156 43.238 42.059 0.038 0.000 1.211 487 L HN 0.595 nan 8.230 nan 0.000 0.422 488 D N 3.394 123.822 120.400 0.048 0.000 2.800 488 D HA -0.188 4.420 4.640 -0.054 0.000 0.232 488 D C 1.143 177.471 176.300 0.047 0.000 1.137 488 D CA 1.447 55.478 54.000 0.051 0.000 0.718 488 D CB -0.751 40.092 40.800 0.073 0.000 1.084 488 D HN 1.096 nan 8.370 nan 0.000 0.432 489 G N -1.015 107.808 108.800 0.039 0.000 2.176 489 G HA2 -0.317 3.610 3.960 -0.054 0.000 0.253 489 G HA3 -0.317 3.610 3.960 -0.054 0.000 0.253 489 G C 0.108 175.026 174.900 0.029 0.000 0.979 489 G CA 0.379 45.496 45.100 0.030 0.000 0.641 489 G HN 0.401 nan 8.290 nan 0.000 0.530 490 Q N 0.520 120.344 119.800 0.039 0.000 2.256 490 Q HA 0.433 4.741 4.340 -0.054 0.000 0.257 490 Q C -0.197 175.822 176.000 0.033 0.000 0.936 490 Q CA -0.600 55.225 55.803 0.037 0.000 0.903 490 Q CB 1.450 30.222 28.738 0.057 0.000 1.263 490 Q HN 0.360 nan 8.270 nan 0.000 0.440 491 Q N 1.603 121.416 119.800 0.022 0.000 2.286 491 Q HA 0.263 4.570 4.340 -0.054 0.000 0.267 491 Q C -0.480 175.528 176.000 0.014 0.000 1.028 491 Q CA -0.008 55.804 55.803 0.015 0.000 0.901 491 Q CB 0.845 29.588 28.738 0.008 0.000 1.183 491 Q HN 0.307 nan 8.270 nan 0.000 0.392 492 V N 3.204 123.123 119.914 0.008 0.000 2.448 492 V HA 0.289 4.377 4.120 -0.054 0.000 0.295 492 V C 0.118 176.191 176.094 -0.036 0.000 1.025 492 V CA -0.923 61.374 62.300 -0.005 0.000 0.859 492 V CB 2.067 33.894 31.823 0.006 0.000 0.988 492 V HN 0.487 nan 8.190 nan 0.000 0.431 493 V N 5.471 125.354 119.914 -0.051 0.000 2.572 493 V HA 0.269 4.357 4.120 -0.054 0.000 0.291 493 V C 0.049 176.048 176.094 -0.158 0.000 1.039 493 V CA -0.101 62.151 62.300 -0.080 0.000 1.055 493 V CB 1.380 33.170 31.823 -0.054 0.000 0.969 493 V HN 0.614 nan 8.190 nan 0.000 0.482 494 V N 7.350 127.138 119.914 -0.210 0.000 2.409 494 V HA 0.343 4.430 4.120 -0.054 0.000 0.290 494 V C -2.438 173.394 176.094 -0.437 0.000 1.017 494 V CA -1.958 60.096 62.300 -0.411 0.000 0.841 494 V CB 1.844 33.454 31.823 -0.355 0.000 1.003 494 V HN 0.729 nan 8.190 nan 0.000 0.426 495 P HA 0.195 nan 4.420 nan 0.000 0.268 495 P C 0.013 177.168 177.300 -0.242 0.000 1.204 495 P CA 0.123 63.044 63.100 -0.299 0.000 0.768 495 P CB 0.577 32.215 31.700 -0.103 0.000 0.842 496 Q N 0.712 120.489 119.800 -0.040 0.000 2.081 496 Q HA 0.233 4.540 4.340 -0.054 0.000 0.220 496 Q C 0.665 176.709 176.000 0.075 0.000 0.775 496 Q CA 0.093 55.912 55.803 0.027 0.000 0.983 496 Q CB 1.416 30.146 28.738 -0.015 0.000 1.188 496 Q HN 0.560 nan 8.270 nan 0.000 0.458 497 G N 0.526 109.376 108.800 0.082 0.000 2.489 497 G HA2 0.480 4.408 3.960 -0.054 0.000 0.327 497 G HA3 0.480 4.408 3.960 -0.054 0.000 0.327 497 G C -0.441 174.518 174.900 0.099 0.000 1.189 497 G CA -0.376 44.772 45.100 0.079 0.000 0.962 497 G HN -0.048 nan 8.290 nan 0.000 0.486 498 Q N 0.414 120.261 119.800 0.079 0.000 2.395 498 Q HA 0.131 4.438 4.340 -0.054 0.000 0.271 498 Q C -2.158 173.893 176.000 0.084 0.000 1.026 498 Q CA -1.025 54.824 55.803 0.076 0.000 0.900 498 Q CB 0.542 29.314 28.738 0.057 0.000 1.266 498 Q HN 0.238 nan 8.270 nan 0.000 0.430 499 P HA -0.059 nan 4.420 nan 0.000 0.265 499 P C -1.032 176.319 177.300 0.085 0.000 1.193 499 P CA 0.153 63.310 63.100 0.096 0.000 0.765 499 P CB 0.509 32.265 31.700 0.094 0.000 0.823 500 V N 1.174 121.144 119.914 0.092 0.000 3.001 500 V HA 0.744 4.832 4.120 -0.054 0.000 0.314 500 V C -2.762 173.393 176.094 0.101 0.000 1.099 500 V CA -3.365 58.986 62.300 0.085 0.000 0.989 500 V CB 1.689 33.558 31.823 0.076 0.000 1.040 500 V HN 0.218 nan 8.190 nan 0.000 0.434 501 P HA 0.314 nan 4.420 nan 0.000 0.271 501 P C -0.703 176.674 177.300 0.128 0.000 1.216 501 P CA -0.145 63.021 63.100 0.111 0.000 0.776 501 P CB 0.426 32.173 31.700 0.079 0.000 0.881 502 C N 6.231 125.636 119.300 0.175 0.000 2.184 502 C HA 0.225 4.652 4.460 -0.054 0.000 0.328 502 C C -0.952 174.143 174.990 0.175 0.000 1.081 502 C CA -1.129 58.012 59.018 0.206 0.000 1.533 502 C CB 0.093 28.029 27.740 0.326 0.000 1.905 502 C HN 0.586 nan 8.230 nan 0.000 0.439 503 P HA -0.212 nan 4.420 nan 0.000 0.217 503 P C 1.448 178.740 177.300 -0.013 0.000 1.148 503 P CA 1.327 64.453 63.100 0.043 0.000 0.834 503 P CB 0.245 31.957 31.700 0.020 0.000 0.783 504 E N -1.307 118.842 120.200 -0.084 0.000 2.153 504 E HA -0.150 4.167 4.350 -0.054 0.000 0.194 504 E C 0.380 176.658 176.600 -0.537 0.000 0.988 504 E CA 0.917 57.098 56.400 -0.365 0.000 0.811 504 E CB -0.267 29.099 29.700 -0.556 0.000 0.746 504 E HN 0.231 nan 8.360 nan 0.000 0.466 505 F N 0.041 120.045 119.950 0.090 0.000 2.855 505 F HA 0.209 4.703 4.527 -0.054 0.000 0.317 505 F C 1.521 177.447 175.800 0.210 0.000 1.169 505 F CA -0.115 57.953 58.000 0.115 0.000 1.299 505 F CB 0.662 39.713 39.000 0.084 0.000 0.962 505 F HN -0.018 nan 8.300 nan 0.000 0.506 506 S N -0.914 114.941 115.700 0.260 0.000 2.469 506 S HA -0.151 4.286 4.470 -0.054 0.000 0.238 506 S C 1.644 176.390 174.600 0.243 0.000 0.998 506 S CA 1.171 59.508 58.200 0.229 0.000 0.957 506 S CB -0.498 62.748 63.200 0.077 0.000 0.764 506 S HN 0.353 nan 8.310 nan 0.000 0.514 507 S N 0.280 116.132 115.700 0.252 0.000 2.593 507 S HA 0.357 4.794 4.470 -0.054 0.000 0.236 507 S C 0.480 175.246 174.600 0.276 0.000 0.991 507 S CA -0.204 58.129 58.200 0.221 0.000 0.963 507 S CB -0.044 63.224 63.200 0.114 0.000 0.865 507 S HN 0.406 nan 8.310 nan 0.000 0.488 508 S N 2.091 117.989 115.700 0.330 0.000 2.580 508 S HA 0.167 4.605 4.470 -0.054 0.000 0.266 508 S C 1.506 176.157 174.600 0.086 0.000 1.354 508 S CA 0.561 58.880 58.200 0.197 0.000 1.008 508 S CB 0.591 63.887 63.200 0.160 0.000 0.898 508 S HN 0.628 nan 8.310 nan 0.000 0.555 509 T N 0.626 115.184 114.554 0.008 0.000 3.100 509 T HA 0.269 4.586 4.350 -0.054 0.000 0.253 509 T C 0.114 174.583 174.700 -0.385 0.000 1.118 509 T CA 0.028 62.023 62.100 -0.176 0.000 1.058 509 T CB -0.506 68.195 68.868 -0.278 0.000 0.953 509 T HN 0.379 nan 8.240 nan 0.000 0.515 510 F N 1.508 121.347 119.950 -0.185 0.000 2.415 510 F HA 0.550 5.046 4.527 -0.052 0.000 0.348 510 F C 1.559 177.125 175.800 -0.390 0.000 1.119 510 F CA -0.938 56.946 58.000 -0.193 0.000 1.069 510 F CB 1.799 40.715 39.000 -0.139 0.000 1.124 510 F HN -0.084 nan 8.300 nan 0.000 0.472 511 S N 1.212 116.891 115.700 -0.035 0.000 2.357 511 S HA -0.034 4.403 4.470 -0.054 0.000 0.221 511 S C 0.406 175.055 174.600 0.082 0.000 1.031 511 S CA 0.830 59.054 58.200 0.039 0.000 0.982 511 S CB -0.052 63.234 63.200 0.143 0.000 0.853 511 S HN 0.625 nan 8.310 nan 0.000 0.458 512 Q N 0.385 120.258 119.800 0.121 0.000 2.387 512 Q HA 0.484 4.791 4.340 -0.054 0.000 0.273 512 Q C -0.879 175.186 176.000 0.109 0.000 1.089 512 Q CA -0.428 55.449 55.803 0.123 0.000 0.824 512 Q CB 1.902 30.722 28.738 0.137 0.000 1.367 512 Q HN 0.067 nan 8.270 nan 0.000 0.443 513 S N 1.281 117.028 115.700 0.078 0.000 2.568 513 S HA 0.051 4.489 4.470 -0.054 0.000 0.282 513 S C -0.575 174.078 174.600 0.089 0.000 1.338 513 S CA 0.072 58.270 58.200 -0.004 0.000 1.045 513 S CB 0.229 63.481 63.200 0.085 0.000 0.873 513 S HN 0.370 nan 8.310 nan 0.000 0.516 514 E N 1.463 121.602 120.200 -0.101 0.000 2.255 514 E HA 0.232 4.549 4.350 -0.054 0.000 0.256 514 E C -1.485 175.083 176.600 -0.053 0.000 0.887 514 E CA -0.248 56.178 56.400 0.043 0.000 0.782 514 E CB 1.143 30.855 29.700 0.019 0.000 1.214 514 E HN 0.579 nan 8.360 nan 0.000 0.417 515 Y N 2.656 122.924 120.300 -0.053 0.000 2.316 515 Y HA 0.266 4.789 4.550 -0.045 0.000 0.331 515 Y C 0.050 175.875 175.900 -0.125 0.000 1.083 515 Y CA -0.717 57.333 58.100 -0.082 0.000 1.206 515 Y CB 0.862 39.323 38.460 0.002 0.000 1.195 515 Y HN 0.228 nan 8.280 nan 0.000 0.497 516 L N 5.936 127.076 121.223 -0.138 0.000 2.381 516 L HA 0.537 4.844 4.340 -0.054 0.000 0.274 516 L C -0.399 176.243 176.870 -0.380 0.000 0.988 516 L CA -0.789 53.821 54.840 -0.383 0.000 0.824 516 L CB 1.550 43.279 42.059 -0.550 0.000 1.263 516 L HN 0.643 nan 8.230 nan 0.000 0.410 517 I N -0.321 119.988 120.570 -0.435 0.000 2.740 517 I HA 0.470 4.607 4.170 -0.054 0.000 0.303 517 I C -0.836 174.955 176.117 -0.544 0.000 1.044 517 I CA -0.676 60.423 61.300 -0.336 0.000 1.064 517 I CB 2.154 40.075 38.000 -0.132 0.000 1.249 517 I HN 0.423 nan 8.210 nan 0.000 0.433 518 Y N 1.997 122.292 120.300 -0.008 0.000 2.641 518 Y HA 0.288 4.807 4.550 -0.052 0.000 0.248 518 Y C -0.103 175.804 175.900 0.012 0.000 1.170 518 Y CA -0.477 57.623 58.100 -0.000 0.000 1.201 518 Y CB 0.554 39.011 38.460 -0.005 0.000 1.232 518 Y HN 0.578 nan 8.280 nan 0.000 0.537 519 Q N -1.040 118.817 119.800 0.094 0.000 2.305 519 Q HA 0.345 4.652 4.340 -0.054 0.000 0.271 519 Q C -0.221 175.812 176.000 0.055 0.000 1.046 519 Q CA -0.648 55.204 55.803 0.082 0.000 0.798 519 Q CB 1.881 30.682 28.738 0.104 0.000 1.286 519 Q HN 0.281 nan 8.270 nan 0.000 0.435 520 E N 1.145 121.382 120.200 0.060 0.000 2.130 520 E HA -0.239 4.078 4.350 -0.054 0.000 0.196 520 E C 1.502 178.154 176.600 0.087 0.000 0.998 520 E CA 2.003 58.434 56.400 0.052 0.000 0.806 520 E CB 0.042 29.765 29.700 0.039 0.000 0.738 520 E HN 0.817 nan 8.360 nan 0.000 0.459 521 S N 0.905 116.691 115.700 0.144 0.000 2.469 521 S HA -0.189 4.248 4.470 -0.054 0.000 0.238 521 S C 1.670 176.455 174.600 0.308 0.000 0.998 521 S CA 0.806 59.163 58.200 0.262 0.000 0.957 521 S CB -0.157 63.246 63.200 0.338 0.000 0.764 521 S HN 0.254 nan 8.310 nan 0.000 0.514 522 Q N -0.003 119.819 119.800 0.036 0.000 2.373 522 Q HA 0.240 4.547 4.340 -0.054 0.000 0.206 522 Q C -0.054 176.021 176.000 0.125 0.000 0.942 522 Q CA -0.093 55.630 55.803 -0.132 0.000 0.953 522 Q CB 0.036 28.590 28.738 -0.307 0.000 1.022 522 Q HN 0.643 nan 8.270 nan 0.000 0.502 523 C N 0.377 119.765 119.300 0.147 0.000 2.535 523 C HA 0.688 5.116 4.460 -0.054 0.000 0.319 523 C C -1.286 173.546 174.990 -0.263 0.000 1.171 523 C CA -0.762 58.221 59.018 -0.058 0.000 1.394 523 C CB 1.327 29.053 27.740 -0.024 0.000 1.990 523 C HN 0.360 nan 8.230 nan 0.000 0.466 524 R N 5.107 125.280 120.500 -0.545 0.000 2.502 524 R HA 0.649 4.957 4.340 -0.054 0.000 0.300 524 R C -1.382 174.687 176.300 -0.385 0.000 0.984 524 R CA -0.465 55.239 56.100 -0.661 0.000 0.882 524 R CB 0.793 30.283 30.300 -1.350 0.000 1.180 524 R HN 0.866 nan 8.270 nan 0.000 0.444 525 L N 5.405 126.471 121.223 -0.262 0.000 2.462 525 L HA 0.214 4.521 4.340 -0.054 0.000 0.272 525 L C 1.001 177.750 176.870 -0.201 0.000 1.166 525 L CA -0.149 54.591 54.840 -0.166 0.000 0.880 525 L CB 0.656 42.627 42.059 -0.147 0.000 1.142 525 L HN 0.671 nan 8.230 nan 0.000 0.473 526 R N 2.359 122.728 120.500 -0.218 0.000 2.167 526 R HA 0.222 4.529 4.340 -0.054 0.000 0.195 526 R C -0.604 175.305 176.300 -0.652 0.000 1.027 526 R CA 0.590 56.374 56.100 -0.526 0.000 1.114 526 R CB 0.306 30.193 30.300 -0.689 0.000 1.075 526 R HN 0.399 nan 8.270 nan 0.000 0.538 527 Y N -0.333 120.047 120.300 0.134 0.000 2.524 527 Y HA 0.539 5.061 4.550 -0.046 0.000 0.347 527 Y C -0.714 175.347 175.900 0.268 0.000 1.005 527 Y CA -1.348 56.860 58.100 0.180 0.000 1.025 527 Y CB 1.817 40.338 38.460 0.102 0.000 1.275 527 Y HN -0.192 nan 8.280 nan 0.000 0.460 528 L N 3.370 124.874 121.223 0.468 0.000 2.385 528 L HA 0.776 5.083 4.340 -0.054 0.000 0.273 528 L C -1.974 175.169 176.870 0.455 0.000 0.990 528 L CA -0.692 54.352 54.840 0.341 0.000 0.821 528 L CB 1.332 43.540 42.059 0.248 0.000 1.279 528 L HN 0.544 nan 8.230 nan 0.000 0.412 529 L N 3.694 125.133 121.223 0.361 0.000 2.354 529 L HA 0.610 4.917 4.340 -0.054 0.000 0.269 529 L C -0.358 176.778 176.870 0.443 0.000 1.005 529 L CA -0.278 54.790 54.840 0.379 0.000 0.819 529 L CB 1.927 44.160 42.059 0.289 0.000 1.311 529 L HN 0.635 nan 8.230 nan 0.000 0.423 530 E N 1.437 121.872 120.200 0.391 0.000 2.171 530 E HA 0.705 5.022 4.350 -0.054 0.000 0.271 530 E C -1.481 175.137 176.600 0.030 0.000 0.916 530 E CA -0.688 55.833 56.400 0.202 0.000 0.774 530 E CB 1.768 31.718 29.700 0.417 0.000 1.128 530 E HN 0.450 nan 8.360 nan 0.000 0.403 531 V N 0.623 120.525 119.914 -0.020 0.000 3.040 531 V HA 0.608 4.696 4.120 -0.054 0.000 0.312 531 V C -0.701 175.497 176.094 0.174 0.000 1.115 531 V CA -0.783 61.523 62.300 0.009 0.000 0.998 531 V CB 1.781 33.573 31.823 -0.051 0.000 1.042 531 V HN 0.784 nan 8.190 nan 0.000 0.433 532 H N 0.000 119.014 119.070 -0.094 0.000 2.539 532 H HA 0.000 4.524 4.556 -0.054 0.000 0.296 532 H CA 0.000 56.022 56.048 -0.043 0.000 1.023 532 H CB 0.000 29.728 29.762 -0.057 0.000 1.292 532 H HN 0.000 nan 8.280 nan 0.000 0.496