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 1dkq_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSEPELKLES VVIVSRAGVR APTKATQLMQ DVTPDAWPTW PVKLGWLTPR DATA SEQUENCE GGELIAYLGH YQRQRLVADG LLAKKGcPQS GQVAIIADVD ERTRKTGEAF DATA SEQUENCE AAGLAPDcAI TVHTQTDTSS PDPLFNPLKT GVcQLDNANV TDAILSRAGG DATA SEQUENCE SIADFTGHRQ TAFRELERVL NFPQSNLcLK REKQDEScSL TQALPSELKV DATA SEQUENCE SADNVSLTGA VSLASMLTEI FLLQQAQGMP EPGWGRITDS HQWNTLLSLH DATA SEQUENCE NAQFYLLQRT PEVARSRATP LLDLIKTALT PHPPQKQAYG VTLPTSVLFI DATA SEQUENCE AGHDTNLANL GGALELNWTL PGQPDNTPPG GELVFERWRR LSDNSQWIQV DATA SEQUENCE SLVFQTLQQM RDKTPLSLNT PPGEVKLTLA GcEERNAQGM cSLAGFTQIV DATA SEQUENCE NEARIPAcSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 1 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 2 S N 1.744 117.441 115.700 -0.005 0.000 2.573 2 S HA 0.088 4.559 4.470 0.001 0.000 0.297 2 S C 0.039 174.637 174.600 -0.003 0.000 1.280 2 S CA 0.475 58.671 58.200 -0.007 0.000 1.061 2 S CB 0.259 63.451 63.200 -0.012 0.000 0.812 2 S HN 0.537 nan 8.310 nan 0.000 0.500 3 E N 2.116 122.316 120.200 -0.001 0.000 2.202 3 E HA 0.500 4.850 4.350 0.001 0.000 0.272 3 E C -2.527 174.077 176.600 0.007 0.000 0.951 3 E CA -2.078 54.325 56.400 0.006 0.000 0.813 3 E CB 0.562 30.268 29.700 0.010 0.000 1.151 3 E HN 0.261 nan 8.360 nan 0.000 0.398 4 P HA 0.079 nan 4.420 nan 0.000 0.267 4 P C -0.477 176.841 177.300 0.030 0.000 1.205 4 P CA 0.151 63.266 63.100 0.024 0.000 0.765 4 P CB 0.616 32.355 31.700 0.065 0.000 0.828 5 E N 2.194 122.397 120.200 0.005 0.000 2.474 5 E HA 0.086 4.437 4.350 0.001 0.000 0.194 5 E C -0.087 176.541 176.600 0.047 0.000 1.041 5 E CA 0.119 56.525 56.400 0.010 0.000 0.874 5 E CB 0.161 29.843 29.700 -0.030 0.000 0.914 5 E HN 0.188 nan 8.360 nan 0.000 0.498 6 L N 1.789 123.060 121.223 0.081 0.000 2.365 6 L HA 0.453 4.794 4.340 0.001 0.000 0.273 6 L C -0.519 176.591 176.870 0.401 0.000 1.000 6 L CA -0.594 54.376 54.840 0.217 0.000 0.819 6 L CB 1.790 43.915 42.059 0.110 0.000 1.284 6 L HN 0.017 nan 8.230 nan 0.000 0.418 7 K N 3.656 124.276 120.400 0.367 0.000 2.307 7 K HA 0.432 4.753 4.320 0.001 0.000 0.263 7 K C -0.812 175.823 176.600 0.058 0.000 0.973 7 K CA -0.643 55.780 56.287 0.226 0.000 0.846 7 K CB 1.651 34.216 32.500 0.108 0.000 1.100 7 K HN 0.549 nan 8.250 nan 0.000 0.438 8 L N 4.608 125.634 121.223 -0.328 0.000 2.462 8 L HA 0.044 4.385 4.340 0.001 0.000 0.272 8 L C 0.543 177.185 176.870 -0.380 0.000 1.166 8 L CA 0.802 55.141 54.840 -0.835 0.000 0.880 8 L CB 0.545 41.951 42.059 -1.089 0.000 1.142 8 L HN 0.897 nan 8.230 nan 0.000 0.473 9 E N 1.516 121.530 120.200 -0.310 0.000 2.536 9 E HA 0.113 4.464 4.350 0.001 0.000 0.220 9 E C -0.329 176.187 176.600 -0.140 0.000 0.876 9 E CA -0.057 56.246 56.400 -0.161 0.000 1.190 9 E CB 1.299 30.952 29.700 -0.078 0.000 1.191 9 E HN 0.462 nan 8.360 nan 0.000 0.557 10 S N 0.537 116.132 115.700 -0.175 0.000 2.543 10 S HA 0.453 4.924 4.470 0.001 0.000 0.273 10 S C -1.619 172.917 174.600 -0.107 0.000 1.152 10 S CA -0.564 57.572 58.200 -0.106 0.000 0.910 10 S CB 1.767 64.936 63.200 -0.053 0.000 1.105 10 S HN -0.056 nan 8.310 nan 0.000 0.465 11 V N 4.008 123.892 119.914 -0.051 0.000 2.638 11 V HA 0.679 4.800 4.120 0.001 0.000 0.306 11 V C -0.897 175.223 176.094 0.043 0.000 1.052 11 V CA -0.624 61.673 62.300 -0.005 0.000 0.885 11 V CB 1.913 33.735 31.823 -0.003 0.000 0.999 11 V HN 0.703 nan 8.190 nan 0.000 0.424 12 V N 5.948 125.914 119.914 0.088 0.000 2.483 12 V HA 0.550 4.671 4.120 0.001 0.000 0.297 12 V C -0.477 175.696 176.094 0.132 0.000 1.027 12 V CA -0.345 62.006 62.300 0.085 0.000 0.855 12 V CB 1.878 33.732 31.823 0.051 0.000 0.995 12 V HN 0.708 nan 8.190 nan 0.000 0.424 13 I N 4.899 125.481 120.570 0.019 0.000 2.378 13 I HA 0.486 4.656 4.170 0.001 0.000 0.291 13 I C -0.622 175.342 176.117 -0.255 0.000 0.992 13 I CA -0.885 60.372 61.300 -0.071 0.000 1.154 13 I CB 2.156 40.099 38.000 -0.095 0.000 1.315 13 I HN 0.268 nan 8.210 nan 0.000 0.448 14 V N 5.136 124.969 119.914 -0.135 0.000 2.313 14 V HA 0.281 4.402 4.120 0.001 0.000 0.278 14 V C 0.138 176.101 176.094 -0.218 0.000 1.017 14 V CA -0.296 61.904 62.300 -0.167 0.000 0.823 14 V CB 1.190 33.039 31.823 0.044 0.000 1.010 14 V HN 0.791 nan 8.190 nan 0.000 0.443 15 S N 5.335 120.788 115.700 -0.412 0.000 2.549 15 S HA 0.641 5.111 4.470 0.001 0.000 0.297 15 S C -0.138 174.382 174.600 -0.133 0.000 1.115 15 S CA -0.782 57.259 58.200 -0.265 0.000 1.059 15 S CB 1.337 64.323 63.200 -0.356 0.000 1.046 15 S HN 0.810 nan 8.310 nan 0.000 0.506 16 R N 2.369 122.856 120.500 -0.022 0.000 2.560 16 R HA 0.636 4.977 4.340 0.001 0.000 0.270 16 R C 0.345 176.647 176.300 0.003 0.000 1.074 16 R CA -0.292 55.814 56.100 0.011 0.000 1.140 16 R CB 0.503 30.848 30.300 0.076 0.000 1.073 16 R HN 0.769 nan 8.270 nan 0.000 0.527 17 A N 1.783 124.587 122.820 -0.026 0.000 2.429 17 A HA 0.360 4.681 4.320 0.001 0.000 0.242 17 A C 0.480 178.090 177.584 0.044 0.000 1.088 17 A CA 0.230 52.262 52.037 -0.008 0.000 0.784 17 A CB 0.046 19.023 19.000 -0.037 0.000 1.038 17 A HN 0.892 nan 8.150 nan 0.000 0.501 18 G N -1.257 107.575 108.800 0.053 0.000 2.510 18 G HA2 0.455 4.416 3.960 0.001 0.000 0.280 18 G HA3 0.455 4.416 3.960 0.001 0.000 0.280 18 G C -0.096 174.837 174.900 0.054 0.000 1.386 18 G CA -0.377 44.762 45.100 0.065 0.000 1.047 18 G HN 0.934 nan 8.290 nan 0.000 0.527 19 V N 0.705 120.661 119.914 0.070 0.000 2.584 19 V HA 0.217 4.338 4.120 0.001 0.000 0.303 19 V C 0.763 176.897 176.094 0.067 0.000 1.035 19 V CA 0.662 63.011 62.300 0.083 0.000 1.172 19 V CB -0.508 31.401 31.823 0.142 0.000 0.896 19 V HN 0.912 nan 8.190 nan 0.000 0.486 20 R N 4.124 124.607 120.500 -0.028 0.000 2.855 20 R HA 0.893 5.234 4.340 0.001 0.000 0.266 20 R C -0.597 175.406 176.300 -0.495 0.000 1.034 20 R CA -0.780 55.258 56.100 -0.103 0.000 0.944 20 R CB 1.711 31.970 30.300 -0.068 0.000 1.219 20 R HN 0.613 nan 8.270 nan 0.000 0.474 21 A N 1.652 124.149 122.820 -0.538 0.000 2.322 21 A HA 0.500 4.820 4.320 0.001 0.000 0.269 21 A C -2.093 175.011 177.584 -0.799 0.000 1.094 21 A CA -1.745 49.597 52.037 -1.158 0.000 0.807 21 A CB -0.242 18.455 19.000 -0.505 0.000 1.047 21 A HN 0.620 nan 8.150 nan 0.000 0.487 22 P HA -0.033 nan 4.420 nan 0.000 0.267 22 P C 0.954 178.077 177.300 -0.294 0.000 1.201 22 P CA 0.736 63.551 63.100 -0.474 0.000 0.775 22 P CB 0.251 31.691 31.700 -0.434 0.000 0.854 23 T N -1.055 113.382 114.554 -0.195 0.000 3.023 23 T HA -0.023 4.328 4.350 0.001 0.000 0.266 23 T C 0.710 175.345 174.700 -0.108 0.000 1.093 23 T CA 0.698 62.729 62.100 -0.115 0.000 1.129 23 T CB -0.238 68.588 68.868 -0.070 0.000 0.899 23 T HN 0.605 nan 8.240 nan 0.000 0.491 24 K N -0.341 119.975 120.400 -0.141 0.000 2.522 24 K HA 0.744 5.064 4.320 0.001 0.000 0.275 24 K C -1.842 174.667 176.600 -0.152 0.000 1.006 24 K CA -1.282 54.934 56.287 -0.118 0.000 0.890 24 K CB 1.932 34.378 32.500 -0.089 0.000 1.475 24 K HN -0.048 nan 8.250 nan 0.000 0.441 25 A N 1.412 124.167 122.820 -0.108 0.000 2.984 25 A HA 0.326 4.647 4.320 0.001 0.000 0.320 25 A C -0.283 177.272 177.584 -0.050 0.000 1.142 25 A CA -0.551 51.425 52.037 -0.102 0.000 0.772 25 A CB 0.098 19.067 19.000 -0.051 0.000 1.195 25 A HN 0.759 nan 8.150 nan 0.000 0.459 26 T N -1.731 112.791 114.554 -0.054 0.000 2.824 26 T HA 0.361 4.712 4.350 0.001 0.000 0.277 26 T C 1.014 175.735 174.700 0.034 0.000 0.975 26 T CA -0.026 62.069 62.100 -0.008 0.000 0.966 26 T CB 1.081 69.944 68.868 -0.008 0.000 1.054 26 T HN 0.306 nan 8.240 nan 0.000 0.533 27 Q N -0.265 119.564 119.800 0.049 0.000 2.172 27 Q HA 0.093 4.433 4.340 0.001 0.000 0.200 27 Q C 1.933 177.993 176.000 0.101 0.000 0.964 27 Q CA 1.225 57.072 55.803 0.075 0.000 0.855 27 Q CB -0.738 28.035 28.738 0.059 0.000 0.918 27 Q HN 0.767 nan 8.270 nan 0.000 0.444 28 L N -0.590 120.685 121.223 0.088 0.000 2.046 28 L HA -0.182 4.159 4.340 0.001 0.000 0.208 28 L C 2.071 179.042 176.870 0.167 0.000 1.077 28 L CA 1.443 56.352 54.840 0.114 0.000 0.747 28 L CB -0.148 41.964 42.059 0.088 0.000 0.896 28 L HN 0.377 nan 8.230 nan 0.000 0.432 29 M N -0.858 118.824 119.600 0.136 0.000 2.202 29 M HA -0.262 4.219 4.480 0.001 0.000 0.262 29 M C 2.133 178.723 176.300 0.483 0.000 1.063 29 M CA 1.704 57.124 55.300 0.201 0.000 1.097 29 M CB -0.211 32.335 32.600 -0.090 0.000 1.382 29 M HN 0.292 nan 8.290 nan 0.000 0.413 30 Q N 0.545 120.557 119.800 0.354 0.000 2.250 30 Q HA -0.100 4.241 4.340 0.001 0.000 0.200 30 Q C 1.153 177.312 176.000 0.265 0.000 0.941 30 Q CA 1.370 57.405 55.803 0.386 0.000 0.872 30 Q CB 0.066 28.964 28.738 0.267 0.000 0.965 30 Q HN 0.347 nan 8.270 nan 0.000 0.480 31 D N -0.538 119.990 120.400 0.213 0.000 2.310 31 D HA -0.099 4.542 4.640 0.001 0.000 0.212 31 D C 1.348 177.769 176.300 0.201 0.000 0.965 31 D CA 1.173 55.271 54.000 0.163 0.000 0.879 31 D CB 0.184 41.064 40.800 0.133 0.000 0.921 31 D HN 0.348 nan 8.370 nan 0.000 0.510 32 V N -2.778 117.319 119.914 0.305 0.000 3.633 32 V HA 0.232 4.353 4.120 0.001 0.000 0.283 32 V C 0.638 176.953 176.094 0.369 0.000 1.305 32 V CA 0.085 62.648 62.300 0.439 0.000 1.153 32 V CB -0.170 31.924 31.823 0.451 0.000 0.950 32 V HN 0.008 nan 8.190 nan 0.000 0.432 33 T N 0.728 115.396 114.554 0.189 0.000 3.041 33 T HA 0.505 4.856 4.350 0.001 0.000 0.321 33 T C -2.564 172.058 174.700 -0.130 0.000 1.184 33 T CA -0.685 61.393 62.100 -0.037 0.000 1.050 33 T CB 2.450 71.182 68.868 -0.225 0.000 1.159 33 T HN 0.078 nan 8.240 nan 0.000 0.469 34 P HA 0.193 nan 4.420 nan 0.000 0.240 34 P C -0.156 176.982 177.300 -0.271 0.000 1.190 34 P CA 0.196 63.181 63.100 -0.191 0.000 0.781 34 P CB 0.341 31.934 31.700 -0.179 0.000 0.931 35 D N 0.528 120.613 120.400 -0.525 0.000 2.348 35 D HA 0.351 4.991 4.640 0.001 0.000 0.249 35 D C 0.119 176.233 176.300 -0.310 0.000 1.110 35 D CA -0.209 53.405 54.000 -0.643 0.000 0.967 35 D CB 1.446 41.297 40.800 -1.582 0.000 1.139 35 D HN -0.030 nan 8.370 nan 0.000 0.466 36 A N 1.113 123.924 122.820 -0.015 0.000 2.274 36 A HA 0.308 4.629 4.320 0.001 0.000 0.309 36 A C -0.792 177.080 177.584 0.481 0.000 1.226 36 A CA -0.638 51.532 52.037 0.222 0.000 0.853 36 A CB 0.096 19.207 19.000 0.186 0.000 1.146 36 A HN 0.477 nan 8.150 nan 0.000 0.518 37 W N 3.380 124.970 121.300 0.483 0.000 2.223 37 W HA 0.331 4.992 4.660 0.001 0.000 0.334 37 W C -1.538 175.122 176.519 0.235 0.000 1.334 37 W CA -0.770 56.812 57.345 0.396 0.000 1.246 37 W CB 0.239 29.879 29.460 0.299 0.000 1.184 37 W HN 0.509 nan 8.180 nan 0.000 0.563 38 P HA 0.077 nan 4.420 nan 0.000 0.271 38 P C -0.131 177.290 177.300 0.202 0.000 1.216 38 P CA -0.198 63.005 63.100 0.172 0.000 0.776 38 P CB 0.750 32.448 31.700 -0.004 0.000 0.881 39 T N -0.345 114.283 114.554 0.124 0.000 2.904 39 T HA 0.360 4.711 4.350 0.001 0.000 0.290 39 T C -0.480 174.250 174.700 0.050 0.000 1.018 39 T CA -0.548 61.651 62.100 0.166 0.000 1.075 39 T CB 0.513 69.453 68.868 0.121 0.000 0.986 39 T HN 0.313 nan 8.240 nan 0.000 0.523 40 W N 1.541 122.863 121.300 0.037 0.000 2.509 40 W HA 0.464 5.125 4.660 0.001 0.000 0.351 40 W C -1.157 175.370 176.519 0.015 0.000 1.107 40 W CA -2.083 55.279 57.345 0.028 0.000 1.264 40 W CB 0.757 30.230 29.460 0.022 0.000 1.312 40 W HN 0.538 nan 8.180 nan 0.000 0.608 41 P HA -0.032 nan 4.420 nan 0.000 0.241 41 P C -0.052 177.329 177.300 0.134 0.000 1.191 41 P CA 0.852 64.031 63.100 0.131 0.000 0.771 41 P CB 0.352 32.111 31.700 0.098 0.000 0.929 42 V N -3.934 116.089 119.914 0.180 0.000 3.126 42 V HA 0.518 4.638 4.120 0.001 0.000 0.314 42 V C 0.015 176.084 176.094 -0.043 0.000 1.138 42 V CA -1.736 60.620 62.300 0.093 0.000 1.034 42 V CB 1.786 33.737 31.823 0.214 0.000 1.075 42 V HN -0.252 nan 8.190 nan 0.000 0.442 43 K N 1.090 121.293 120.400 -0.329 0.000 2.286 43 K HA 0.364 4.684 4.320 0.001 0.000 0.256 43 K C -0.363 176.043 176.600 -0.324 0.000 0.999 43 K CA -0.254 55.710 56.287 -0.538 0.000 0.908 43 K CB 0.186 31.911 32.500 -1.292 0.000 0.981 43 K HN 0.555 nan 8.250 nan 0.000 0.500 44 L N 1.268 122.342 121.223 -0.249 0.000 2.525 44 L HA -0.068 4.273 4.340 0.001 0.000 0.278 44 L C 1.484 178.341 176.870 -0.022 0.000 1.218 44 L CA 0.842 55.595 54.840 -0.144 0.000 0.878 44 L CB -0.144 41.844 42.059 -0.120 0.000 1.127 44 L HN 1.065 nan 8.230 nan 0.000 0.492 45 G N 1.426 110.212 108.800 -0.023 0.000 2.189 45 G HA2 -0.264 3.697 3.960 0.001 0.000 0.267 45 G HA3 -0.264 3.697 3.960 0.001 0.000 0.267 45 G C -0.279 174.773 174.900 0.253 0.000 0.975 45 G CA -0.235 44.914 45.100 0.082 0.000 0.644 45 G HN 0.512 nan 8.290 nan 0.000 0.537 46 W N -0.320 120.937 121.300 -0.072 0.000 2.375 46 W HA 0.750 5.410 4.660 0.001 0.000 0.336 46 W C 0.485 176.988 176.519 -0.027 0.000 1.160 46 W CA -1.566 55.759 57.345 -0.033 0.000 1.266 46 W CB 0.553 30.008 29.460 -0.008 0.000 1.195 46 W HN 0.143 nan 8.180 nan 0.000 0.599 47 L N 3.062 124.377 121.223 0.153 0.000 2.453 47 L HA 0.237 4.577 4.340 0.001 0.000 0.272 47 L C 0.967 177.931 176.870 0.157 0.000 1.182 47 L CA 0.385 55.285 54.840 0.100 0.000 0.858 47 L CB 0.197 42.275 42.059 0.031 0.000 1.120 47 L HN 0.493 nan 8.230 nan 0.000 0.474 48 T N 2.864 117.515 114.554 0.161 0.000 2.913 48 T HA 0.403 4.754 4.350 0.001 0.000 0.287 48 T C -1.693 173.077 174.700 0.117 0.000 1.008 48 T CA -1.430 60.782 62.100 0.187 0.000 1.067 48 T CB 1.046 70.074 68.868 0.266 0.000 0.996 48 T HN 0.587 nan 8.240 nan 0.000 0.513 49 P HA -0.191 nan 4.420 nan 0.000 0.216 49 P C 1.476 178.788 177.300 0.019 0.000 1.150 49 P CA 1.065 64.193 63.100 0.048 0.000 0.837 49 P CB 0.101 31.828 31.700 0.044 0.000 0.786 50 R N 0.407 120.931 120.500 0.041 0.000 2.096 50 R HA -0.074 4.267 4.340 0.001 0.000 0.235 50 R C 2.511 178.820 176.300 0.014 0.000 1.127 50 R CA 1.891 58.003 56.100 0.020 0.000 0.968 50 R CB -1.262 29.068 30.300 0.050 0.000 0.861 50 R HN 0.128 nan 8.270 nan 0.000 0.440 51 G N -0.387 108.448 108.800 0.059 0.000 2.442 51 G HA2 -0.230 3.731 3.960 0.001 0.000 0.219 51 G HA3 -0.230 3.731 3.960 0.001 0.000 0.219 51 G C 1.446 176.352 174.900 0.010 0.000 1.141 51 G CA 0.765 45.898 45.100 0.055 0.000 0.763 51 G HN 0.517 nan 8.290 nan 0.000 0.554 52 G N 0.343 109.138 108.800 -0.008 0.000 2.408 52 G HA2 -0.076 3.885 3.960 0.001 0.000 0.217 52 G HA3 -0.076 3.885 3.960 0.001 0.000 0.217 52 G C 1.594 176.423 174.900 -0.119 0.000 1.150 52 G CA 0.977 46.054 45.100 -0.039 0.000 0.776 52 G HN 0.518 nan 8.290 nan 0.000 0.542 53 E N 0.002 120.094 120.200 -0.180 0.000 2.077 53 E HA -0.040 4.311 4.350 0.001 0.000 0.193 53 E C 2.546 178.780 176.600 -0.610 0.000 0.989 53 E CA 0.524 56.680 56.400 -0.405 0.000 0.800 53 E CB -0.186 29.286 29.700 -0.381 0.000 0.746 53 E HN 0.372 nan 8.360 nan 0.000 0.452 54 L N 0.822 121.866 121.223 -0.297 0.000 2.083 54 L HA -0.200 4.141 4.340 0.001 0.000 0.209 54 L C 2.339 179.213 176.870 0.007 0.000 1.083 54 L CA 0.518 55.306 54.840 -0.087 0.000 0.752 54 L CB -0.291 41.800 42.059 0.052 0.000 0.899 54 L HN 0.217 nan 8.230 nan 0.000 0.433 55 I N 0.081 120.651 120.570 -0.000 0.000 2.252 55 I HA -0.203 3.968 4.170 0.001 0.000 0.245 55 I C 2.833 178.987 176.117 0.062 0.000 1.102 55 I CA 1.471 62.827 61.300 0.094 0.000 1.385 55 I CB -1.457 36.606 38.000 0.105 0.000 1.064 55 I HN 0.165 nan 8.210 nan 0.000 0.414 56 A N 0.257 123.033 122.820 -0.074 0.000 1.940 56 A HA -0.237 4.084 4.320 0.001 0.000 0.219 56 A C 2.173 179.770 177.584 0.021 0.000 1.176 56 A CA 1.397 53.369 52.037 -0.109 0.000 0.631 56 A CB -0.870 18.017 19.000 -0.187 0.000 0.814 56 A HN 0.346 nan 8.150 nan 0.000 0.446 57 Y N -0.109 120.210 120.300 0.032 0.000 2.181 57 Y HA -0.118 4.433 4.550 0.001 0.000 0.288 57 Y C 2.214 178.188 175.900 0.124 0.000 1.146 57 Y CA 0.800 58.944 58.100 0.073 0.000 1.164 57 Y CB -0.883 37.605 38.460 0.047 0.000 0.982 57 Y HN 0.201 nan 8.280 nan 0.000 0.515 58 L N -1.169 120.228 121.223 0.291 0.000 2.093 58 L HA -0.148 4.193 4.340 0.001 0.000 0.208 58 L C 2.626 179.640 176.870 0.239 0.000 1.085 58 L CA 1.316 56.334 54.840 0.296 0.000 0.755 58 L CB -1.052 41.198 42.059 0.319 0.000 0.904 58 L HN 0.291 nan 8.230 nan 0.000 0.435 59 G N -1.373 107.419 108.800 -0.012 0.000 2.422 59 G HA2 -0.337 3.624 3.960 0.001 0.000 0.218 59 G HA3 -0.337 3.624 3.960 0.001 0.000 0.218 59 G C 1.359 176.092 174.900 -0.279 0.000 1.146 59 G CA 0.931 45.657 45.100 -0.623 0.000 0.769 59 G HN 0.401 nan 8.290 nan 0.000 0.547 60 H N -0.890 118.105 119.070 -0.125 0.000 2.357 60 H HA -0.110 4.447 4.556 0.001 0.000 0.301 60 H C 2.081 177.399 175.328 -0.016 0.000 1.082 60 H CA 1.594 57.607 56.048 -0.058 0.000 1.342 60 H CB -0.401 29.383 29.762 0.037 0.000 1.389 60 H HN 0.363 nan 8.280 nan 0.000 0.511 61 Y N 0.950 121.200 120.300 -0.083 0.000 2.145 61 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 61 Y C 2.299 178.136 175.900 -0.106 0.000 1.145 61 Y CA 1.922 59.953 58.100 -0.116 0.000 1.148 61 Y CB -0.289 38.161 38.460 -0.017 0.000 0.981 61 Y HN 0.221 nan 8.280 nan 0.000 0.507 62 Q N 0.227 119.927 119.800 -0.166 0.000 2.181 62 Q HA -0.216 4.125 4.340 0.001 0.000 0.205 62 Q C 2.340 178.192 176.000 -0.246 0.000 0.980 62 Q CA 1.704 57.396 55.803 -0.185 0.000 0.862 62 Q CB -0.460 28.372 28.738 0.156 0.000 0.905 62 Q HN 0.364 nan 8.270 nan 0.000 0.429 63 R N 1.232 121.575 120.500 -0.260 0.000 2.081 63 R HA -0.101 4.240 4.340 0.001 0.000 0.235 63 R C 2.016 178.160 176.300 -0.261 0.000 1.131 63 R CA 1.666 57.627 56.100 -0.231 0.000 0.960 63 R CB -0.305 29.863 30.300 -0.220 0.000 0.856 63 R HN 0.318 nan 8.270 nan 0.000 0.436 64 Q N -0.375 119.206 119.800 -0.365 0.000 2.079 64 Q HA -0.127 4.213 4.340 0.001 0.000 0.200 64 Q C 2.193 178.013 176.000 -0.301 0.000 0.974 64 Q CA 1.331 56.939 55.803 -0.325 0.000 0.840 64 Q CB -0.256 28.265 28.738 -0.361 0.000 0.898 64 Q HN 0.270 nan 8.270 nan 0.000 0.430 65 R N 0.641 120.876 120.500 -0.442 0.000 2.070 65 R HA -0.157 4.184 4.340 0.001 0.000 0.233 65 R C 2.097 178.285 176.300 -0.187 0.000 1.137 65 R CA 1.190 57.076 56.100 -0.357 0.000 0.945 65 R CB -0.190 29.796 30.300 -0.524 0.000 0.845 65 R HN 0.182 nan 8.270 nan 0.000 0.430 66 L N 0.467 121.586 121.223 -0.173 0.000 2.131 66 L HA -0.127 4.214 4.340 0.001 0.000 0.210 66 L C 2.437 179.243 176.870 -0.106 0.000 1.092 66 L CA 1.065 55.833 54.840 -0.119 0.000 0.759 66 L CB -0.806 41.196 42.059 -0.094 0.000 0.903 66 L HN 0.009 nan 8.230 nan 0.000 0.435 67 V N -0.285 119.560 119.914 -0.115 0.000 2.295 67 V HA -0.291 3.830 4.120 0.001 0.000 0.246 67 V C 2.694 178.745 176.094 -0.072 0.000 1.049 67 V CA 1.611 63.857 62.300 -0.090 0.000 1.024 67 V CB -1.031 30.733 31.823 -0.098 0.000 0.648 67 V HN 0.493 nan 8.190 nan 0.000 0.447 68 A N -0.313 122.460 122.820 -0.078 0.000 1.978 68 A HA -0.243 4.077 4.320 0.001 0.000 0.220 68 A C 1.776 179.350 177.584 -0.018 0.000 1.170 68 A CA 2.027 54.036 52.037 -0.046 0.000 0.636 68 A CB -0.468 18.502 19.000 -0.049 0.000 0.810 68 A HN 0.592 nan 8.150 nan 0.000 0.448 69 D N -1.238 119.144 120.400 -0.029 0.000 2.339 69 D HA 0.257 4.898 4.640 0.001 0.000 0.217 69 D C 1.290 177.560 176.300 -0.051 0.000 1.050 69 D CA 0.916 54.907 54.000 -0.015 0.000 0.856 69 D CB -0.102 40.663 40.800 -0.060 0.000 0.922 69 D HN 0.569 nan 8.370 nan 0.000 0.518 70 G N 1.577 110.347 108.800 -0.050 0.000 2.179 70 G HA2 -0.315 3.646 3.960 0.001 0.000 0.257 70 G HA3 -0.315 3.646 3.960 0.001 0.000 0.257 70 G C 0.854 175.714 174.900 -0.066 0.000 1.010 70 G CA 0.626 45.697 45.100 -0.049 0.000 0.736 70 G HN 0.384 nan 8.290 nan 0.000 0.513 71 L N -1.511 119.659 121.223 -0.089 0.000 2.249 71 L HA 0.590 4.931 4.340 0.001 0.000 0.207 71 L C 0.917 177.747 176.870 -0.067 0.000 1.090 71 L CA 1.063 55.847 54.840 -0.094 0.000 0.802 71 L CB 0.076 42.059 42.059 -0.127 0.000 0.947 71 L HN 0.215 nan 8.230 nan 0.000 0.453 72 L N -0.667 120.517 121.223 -0.064 0.000 2.341 72 L HA 0.687 5.028 4.340 0.001 0.000 0.267 72 L C 0.036 176.876 176.870 -0.050 0.000 1.009 72 L CA -0.572 54.236 54.840 -0.053 0.000 0.819 72 L CB 1.240 43.265 42.059 -0.057 0.000 1.323 72 L HN -0.029 nan 8.230 nan 0.000 0.425 73 A N 1.203 123.998 122.820 -0.042 0.000 2.340 73 A HA 0.316 4.637 4.320 0.001 0.000 0.268 73 A C 1.076 178.634 177.584 -0.042 0.000 1.100 73 A CA -0.228 51.786 52.037 -0.037 0.000 0.803 73 A CB 0.201 19.183 19.000 -0.029 0.000 1.043 73 A HN 0.840 nan 8.150 nan 0.000 0.488 74 K N 0.049 120.425 120.400 -0.040 0.000 2.211 74 K HA -0.071 4.250 4.320 0.001 0.000 0.203 74 K C 0.067 176.647 176.600 -0.034 0.000 1.050 74 K CA 1.286 57.548 56.287 -0.042 0.000 0.945 74 K CB -0.056 32.422 32.500 -0.037 0.000 0.732 74 K HN 0.545 nan 8.250 nan 0.000 0.451 75 K N -0.832 119.552 120.400 -0.027 0.000 2.340 75 K HA 0.472 4.793 4.320 0.001 0.000 0.244 75 K C -0.719 175.868 176.600 -0.022 0.000 0.973 75 K CA 0.178 56.452 56.287 -0.022 0.000 0.828 75 K CB 1.960 34.450 32.500 -0.017 0.000 1.226 75 K HN 0.270 nan 8.250 nan 0.000 0.437 76 G N 0.209 108.998 108.800 -0.019 0.000 2.855 76 G HA2 -0.230 3.730 3.960 0.001 0.000 0.352 76 G HA3 -0.230 3.730 3.960 0.001 0.000 0.352 76 G C -0.366 174.521 174.900 -0.022 0.000 1.415 76 G CA -0.626 44.462 45.100 -0.019 0.000 0.871 76 G HN 0.719 nan 8.290 nan 0.000 0.543 77 c N 2.752 121.341 118.600 -0.019 0.000 2.601 77 c HA 0.596 5.167 4.570 0.001 0.000 0.409 77 c C -0.518 173.562 174.090 -0.017 0.000 1.293 77 c CA -0.364 55.953 56.329 -0.020 0.000 2.101 77 c CB 0.495 42.996 42.510 -0.016 0.000 2.639 77 c HN 0.830 nan 8.230 nan 0.000 0.592 78 P HA 0.067 nan 4.420 nan 0.000 0.269 78 P C -0.652 176.645 177.300 -0.005 0.000 1.215 78 P CA 0.072 63.165 63.100 -0.012 0.000 0.780 78 P CB 0.469 32.164 31.700 -0.008 0.000 0.898 79 Q N 0.208 120.005 119.800 -0.006 0.000 2.479 79 Q HA 0.075 4.415 4.340 0.001 0.000 0.267 79 Q C 0.638 176.641 176.000 0.005 0.000 1.071 79 Q CA 0.174 55.975 55.803 -0.003 0.000 0.935 79 Q CB 0.002 28.736 28.738 -0.006 0.000 1.295 79 Q HN 0.427 nan 8.270 nan 0.000 0.476 80 S N 0.097 115.801 115.700 0.007 0.000 2.544 80 S HA 0.213 4.684 4.470 0.001 0.000 0.290 80 S C 1.127 175.739 174.600 0.019 0.000 1.276 80 S CA 0.843 59.053 58.200 0.017 0.000 1.075 80 S CB -0.434 62.775 63.200 0.015 0.000 0.849 80 S HN 0.863 nan 8.310 nan 0.000 0.494 81 G N 3.786 112.607 108.800 0.035 0.000 2.234 81 G HA2 -0.376 3.584 3.960 0.001 0.000 0.260 81 G HA3 -0.376 3.584 3.960 0.001 0.000 0.260 81 G C 0.846 175.761 174.900 0.026 0.000 0.987 81 G CA 0.884 46.005 45.100 0.034 0.000 0.625 81 G HN 0.747 nan 8.290 nan 0.000 0.532 82 Q N -0.136 119.676 119.800 0.019 0.000 2.135 82 Q HA 0.089 4.430 4.340 0.001 0.000 0.204 82 Q C 0.765 176.782 176.000 0.029 0.000 0.981 82 Q CA 1.770 57.580 55.803 0.012 0.000 0.856 82 Q CB -0.032 28.708 28.738 0.003 0.000 0.902 82 Q HN 0.538 nan 8.270 nan 0.000 0.425 83 V N 1.043 120.986 119.914 0.049 0.000 2.409 83 V HA 0.627 4.748 4.120 0.001 0.000 0.291 83 V C -0.598 175.562 176.094 0.110 0.000 1.020 83 V CA -0.408 61.941 62.300 0.081 0.000 0.848 83 V CB 1.199 33.071 31.823 0.082 0.000 0.990 83 V HN 0.270 nan 8.190 nan 0.000 0.430 84 A N 6.545 129.439 122.820 0.123 0.000 2.330 84 A HA 0.931 5.252 4.320 0.001 0.000 0.327 84 A C -0.789 176.912 177.584 0.195 0.000 1.155 84 A CA -0.548 51.582 52.037 0.155 0.000 0.803 84 A CB 0.913 19.959 19.000 0.076 0.000 1.208 84 A HN 0.762 nan 8.150 nan 0.000 0.477 85 I N 2.788 123.518 120.570 0.267 0.000 2.466 85 I HA 0.420 4.591 4.170 0.001 0.000 0.289 85 I C -0.979 175.274 176.117 0.227 0.000 1.026 85 I CA -0.214 61.234 61.300 0.247 0.000 1.078 85 I CB 1.776 39.899 38.000 0.204 0.000 1.249 85 I HN 0.505 nan 8.210 nan 0.000 0.429 86 I N 5.064 125.693 120.570 0.098 0.000 2.509 86 I HA 0.763 4.934 4.170 0.001 0.000 0.293 86 I C -0.227 175.894 176.117 0.007 0.000 1.020 86 I CA -0.441 60.831 61.300 -0.048 0.000 1.088 86 I CB 2.179 39.959 38.000 -0.367 0.000 1.267 86 I HN 0.646 nan 8.210 nan 0.000 0.430 87 A N 3.751 126.581 122.820 0.017 0.000 2.515 87 A HA 0.575 4.896 4.320 0.001 0.000 0.296 87 A C -1.185 176.330 177.584 -0.116 0.000 1.094 87 A CA -0.596 51.420 52.037 -0.033 0.000 0.718 87 A CB 1.696 20.669 19.000 -0.046 0.000 1.307 87 A HN 0.635 nan 8.150 nan 0.000 0.408 88 D N -0.005 120.038 120.400 -0.595 0.000 2.361 88 D HA 0.195 4.835 4.640 0.001 0.000 0.239 88 D C 1.628 177.778 176.300 -0.251 0.000 1.200 88 D CA 0.551 54.083 54.000 -0.779 0.000 0.915 88 D CB 1.246 41.296 40.800 -1.250 0.000 1.170 88 D HN 0.702 nan 8.370 nan 0.000 0.444 89 V N -1.019 118.832 119.914 -0.104 0.000 3.078 89 V HA -0.025 4.096 4.120 0.001 0.000 0.265 89 V C 0.363 176.412 176.094 -0.075 0.000 1.122 89 V CA 0.633 62.908 62.300 -0.041 0.000 1.141 89 V CB -0.755 31.076 31.823 0.013 0.000 0.735 89 V HN 0.325 nan 8.190 nan 0.000 0.498 90 D N 1.455 121.799 120.400 -0.094 0.000 2.400 90 D HA 0.011 4.652 4.640 0.001 0.000 0.238 90 D C 1.411 177.608 176.300 -0.171 0.000 1.157 90 D CA 0.273 54.218 54.000 -0.091 0.000 0.889 90 D CB 0.670 41.461 40.800 -0.015 0.000 1.199 90 D HN 0.309 nan 8.370 nan 0.000 0.436 91 E N 1.967 122.005 120.200 -0.269 0.000 2.051 91 E HA -0.215 4.135 4.350 0.001 0.000 0.192 91 E C 1.824 178.218 176.600 -0.343 0.000 0.991 91 E CA 1.071 57.191 56.400 -0.467 0.000 0.799 91 E CB 0.112 29.179 29.700 -1.056 0.000 0.748 91 E HN 0.558 nan 8.360 nan 0.000 0.449 92 R N 0.175 120.531 120.500 -0.241 0.000 2.120 92 R HA -0.067 4.274 4.340 0.001 0.000 0.234 92 R C 2.330 178.563 176.300 -0.111 0.000 1.123 92 R CA 1.914 57.936 56.100 -0.129 0.000 0.975 92 R CB -1.009 29.266 30.300 -0.042 0.000 0.866 92 R HN 0.145 nan 8.270 nan 0.000 0.446 93 T N -0.876 113.589 114.554 -0.149 0.000 2.896 93 T HA -0.053 4.298 4.350 0.001 0.000 0.263 93 T C 2.028 176.659 174.700 -0.115 0.000 1.050 93 T CA 0.841 62.833 62.100 -0.181 0.000 1.140 93 T CB -0.242 68.415 68.868 -0.353 0.000 0.877 93 T HN 0.345 nan 8.240 nan 0.000 0.457 94 R N 1.326 121.749 120.500 -0.128 0.000 2.073 94 R HA -0.057 4.284 4.340 0.001 0.000 0.234 94 R C 2.217 178.474 176.300 -0.071 0.000 1.134 94 R CA 1.149 57.194 56.100 -0.092 0.000 0.952 94 R CB -0.114 30.117 30.300 -0.116 0.000 0.850 94 R HN 0.117 nan 8.270 nan 0.000 0.433 95 K N -0.146 120.196 120.400 -0.097 0.000 2.211 95 K HA -0.045 4.276 4.320 0.001 0.000 0.203 95 K C 1.924 178.511 176.600 -0.021 0.000 1.050 95 K CA 1.484 57.728 56.287 -0.071 0.000 0.945 95 K CB -0.171 32.271 32.500 -0.096 0.000 0.732 95 K HN 0.280 nan 8.250 nan 0.000 0.451 96 T N 0.067 114.623 114.554 0.003 0.000 2.857 96 T HA -0.058 4.292 4.350 0.001 0.000 0.266 96 T C 1.877 176.649 174.700 0.119 0.000 1.048 96 T CA 1.434 63.577 62.100 0.072 0.000 1.139 96 T CB -0.246 68.679 68.868 0.094 0.000 0.874 96 T HN 0.416 nan 8.240 nan 0.000 0.455 97 G N 1.293 110.165 108.800 0.120 0.000 2.422 97 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 97 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 97 G C 1.447 176.367 174.900 0.032 0.000 1.146 97 G CA 0.588 45.766 45.100 0.129 0.000 0.769 97 G HN 0.505 nan 8.290 nan 0.000 0.547 98 E N 0.544 120.746 120.200 0.004 0.000 2.047 98 E HA 0.029 4.379 4.350 0.001 0.000 0.191 98 E C 2.924 179.501 176.600 -0.039 0.000 0.987 98 E CA 0.718 57.102 56.400 -0.026 0.000 0.799 98 E CB -0.190 29.487 29.700 -0.039 0.000 0.752 98 E HN 0.382 nan 8.360 nan 0.000 0.449 99 A N 0.846 123.650 122.820 -0.027 0.000 1.972 99 A HA -0.179 4.142 4.320 0.001 0.000 0.219 99 A C 1.936 179.479 177.584 -0.068 0.000 1.169 99 A CA 0.981 52.990 52.037 -0.046 0.000 0.635 99 A CB -0.630 18.354 19.000 -0.026 0.000 0.810 99 A HN 0.330 nan 8.150 nan 0.000 0.446 100 F N 0.585 120.392 119.950 -0.237 0.000 2.163 100 F HA 0.075 4.603 4.527 0.002 0.000 0.297 100 F C 2.463 178.079 175.800 -0.307 0.000 1.094 100 F CA 1.108 58.877 58.000 -0.384 0.000 1.290 100 F CB -0.201 38.226 39.000 -0.954 0.000 1.017 100 F HN 0.238 nan 8.300 nan 0.000 0.483 101 A N 0.446 123.163 122.820 -0.171 0.000 1.930 101 A HA -0.043 4.277 4.320 0.001 0.000 0.217 101 A C 2.376 179.842 177.584 -0.196 0.000 1.175 101 A CA 1.548 53.484 52.037 -0.169 0.000 0.627 101 A CB -1.493 17.473 19.000 -0.057 0.000 0.815 101 A HN 0.481 nan 8.150 nan 0.000 0.443 102 A N -0.413 122.313 122.820 -0.157 0.000 1.883 102 A HA 0.080 4.401 4.320 0.001 0.000 0.217 102 A C 2.403 179.898 177.584 -0.149 0.000 1.186 102 A CA 2.031 53.991 52.037 -0.128 0.000 0.624 102 A CB -1.365 17.573 19.000 -0.103 0.000 0.822 102 A HN 0.727 nan 8.150 nan 0.000 0.444 103 G N -0.730 107.948 108.800 -0.204 0.000 2.403 103 G HA2 -0.025 3.936 3.960 0.001 0.000 0.216 103 G HA3 -0.025 3.936 3.960 0.001 0.000 0.216 103 G C 1.512 176.298 174.900 -0.190 0.000 1.154 103 G CA 1.055 46.056 45.100 -0.164 0.000 0.784 103 G HN 0.463 nan 8.290 nan 0.000 0.538 104 L N 0.527 121.509 121.223 -0.402 0.000 2.044 104 L HA 0.437 4.778 4.340 0.001 0.000 0.205 104 L C 1.440 178.198 176.870 -0.187 0.000 1.075 104 L CA 1.820 56.431 54.840 -0.383 0.000 0.747 104 L CB 0.023 41.732 42.059 -0.584 0.000 0.903 104 L HN 0.164 nan 8.230 nan 0.000 0.435 105 A N -0.503 122.225 122.820 -0.153 0.000 2.984 105 A HA 0.578 4.899 4.320 0.001 0.000 0.320 105 A C -2.579 174.962 177.584 -0.072 0.000 1.142 105 A CA -1.127 50.858 52.037 -0.087 0.000 0.772 105 A CB -0.181 18.775 19.000 -0.072 0.000 1.195 105 A HN 0.056 nan 8.150 nan 0.000 0.459 106 P HA -0.000 nan 4.420 nan 0.000 0.263 106 P C -0.190 177.084 177.300 -0.043 0.000 1.175 106 P CA 0.838 63.907 63.100 -0.052 0.000 0.761 106 P CB 0.244 31.919 31.700 -0.042 0.000 0.794 107 D N 0.565 120.940 120.400 -0.042 0.000 2.733 107 D HA -0.222 4.418 4.640 0.001 0.000 0.232 107 D C 0.125 176.407 176.300 -0.031 0.000 1.161 107 D CA 0.518 54.498 54.000 -0.034 0.000 0.653 107 D CB -1.416 39.368 40.800 -0.028 0.000 1.052 107 D HN 0.418 nan 8.370 nan 0.000 0.424 108 c N 0.188 118.767 118.600 -0.035 0.000 3.070 108 c HA 0.439 5.010 4.570 0.001 0.000 0.280 108 c C 1.216 175.291 174.090 -0.025 0.000 1.264 108 c CA 0.534 56.845 56.329 -0.029 0.000 1.690 108 c CB -0.681 41.810 42.510 -0.032 0.000 2.049 108 c HN 0.763 nan 8.230 nan 0.000 0.636 109 A N 1.250 124.052 122.820 -0.030 0.000 1.726 109 A HA -0.167 4.154 4.320 0.001 0.000 0.224 109 A C -0.411 177.158 177.584 -0.024 0.000 1.317 109 A CA 0.643 52.663 52.037 -0.028 0.000 0.685 109 A CB -1.826 17.162 19.000 -0.021 0.000 1.175 109 A HN 0.620 nan 8.150 nan 0.000 0.230 110 I N 2.660 123.211 120.570 -0.031 0.000 2.389 110 I HA 0.265 4.435 4.170 0.001 0.000 0.288 110 I C 0.870 176.951 176.117 -0.060 0.000 0.999 110 I CA -0.607 60.681 61.300 -0.020 0.000 1.129 110 I CB 2.015 40.014 38.000 -0.002 0.000 1.288 110 I HN 0.600 nan 8.210 nan 0.000 0.444 111 T N 5.351 119.842 114.554 -0.106 0.000 2.940 111 T HA 0.139 4.490 4.350 0.001 0.000 0.309 111 T C 0.114 174.590 174.700 -0.372 0.000 1.056 111 T CA -0.111 61.824 62.100 -0.276 0.000 1.137 111 T CB 0.912 69.511 68.868 -0.447 0.000 0.976 111 T HN 0.226 nan 8.240 nan 0.000 0.547 112 V N 5.673 125.408 119.914 -0.297 0.000 2.293 112 V HA 0.199 4.320 4.120 0.001 0.000 0.275 112 V C 0.273 176.260 176.094 -0.178 0.000 1.021 112 V CA -0.851 61.352 62.300 -0.162 0.000 0.815 112 V CB 0.089 31.878 31.823 -0.057 0.000 1.025 112 V HN 0.840 nan 8.190 nan 0.000 0.448 113 H N 3.249 122.360 119.070 0.069 0.000 2.582 113 H HA 0.561 5.118 4.556 0.001 0.000 0.345 113 H C 0.443 175.866 175.328 0.157 0.000 1.104 113 H CA 0.042 56.163 56.048 0.121 0.000 1.390 113 H CB 1.817 31.675 29.762 0.159 0.000 1.461 113 H HN 0.692 nan 8.280 nan 0.000 0.551 114 T N -0.844 113.919 114.554 0.348 0.000 2.812 114 T HA 0.198 4.549 4.350 0.001 0.000 0.294 114 T C -0.160 174.780 174.700 0.400 0.000 1.159 114 T CA -1.207 61.106 62.100 0.355 0.000 1.008 114 T CB 2.172 71.137 68.868 0.163 0.000 1.289 114 T HN 0.617 nan 8.240 nan 0.000 0.514 115 Q N 0.063 120.071 119.800 0.347 0.000 2.395 115 Q HA 0.173 4.514 4.340 0.001 0.000 0.271 115 Q C 0.681 176.731 176.000 0.084 0.000 1.026 115 Q CA 0.254 56.136 55.803 0.132 0.000 0.900 115 Q CB 0.422 29.239 28.738 0.132 0.000 1.266 115 Q HN 0.769 nan 8.270 nan 0.000 0.430 116 T N 2.130 116.701 114.554 0.027 0.000 2.746 116 T HA -0.148 4.202 4.350 0.001 0.000 0.267 116 T C 0.096 174.813 174.700 0.027 0.000 1.039 116 T CA 1.415 63.532 62.100 0.029 0.000 1.142 116 T CB -0.137 68.736 68.868 0.008 0.000 0.866 116 T HN 0.668 nan 8.240 nan 0.000 0.444 117 D N 1.301 121.714 120.400 0.021 0.000 2.374 117 D HA 0.136 4.777 4.640 0.001 0.000 0.240 117 D C 0.732 177.050 176.300 0.031 0.000 1.229 117 D CA 0.155 54.168 54.000 0.021 0.000 0.895 117 D CB 0.758 41.567 40.800 0.015 0.000 1.046 117 D HN -0.024 nan 8.370 nan 0.000 0.498 118 T N 1.197 115.767 114.554 0.028 0.000 3.088 118 T HA -0.084 4.267 4.350 0.001 0.000 0.259 118 T C 1.683 176.395 174.700 0.021 0.000 1.122 118 T CA 1.074 63.189 62.100 0.025 0.000 1.095 118 T CB 0.051 68.927 68.868 0.014 0.000 0.930 118 T HN 0.492 nan 8.240 nan 0.000 0.508 119 S N -0.106 115.607 115.700 0.022 0.000 2.593 119 S HA 0.243 4.713 4.470 0.001 0.000 0.217 119 S C 0.795 175.409 174.600 0.023 0.000 0.966 119 S CA -0.487 57.727 58.200 0.022 0.000 0.914 119 S CB 0.131 63.344 63.200 0.021 0.000 0.776 119 S HN 0.178 nan 8.310 nan 0.000 0.523 120 S N 2.474 118.190 115.700 0.026 0.000 2.566 120 S HA 0.648 5.119 4.470 0.001 0.000 0.298 120 S C -2.962 171.662 174.600 0.041 0.000 1.083 120 S CA -1.794 56.423 58.200 0.029 0.000 0.978 120 S CB 1.401 64.616 63.200 0.025 0.000 1.073 120 S HN 0.181 nan 8.310 nan 0.000 0.491 121 P HA 0.189 nan 4.420 nan 0.000 0.271 121 P C -1.236 176.122 177.300 0.097 0.000 1.218 121 P CA -0.194 62.943 63.100 0.063 0.000 0.780 121 P CB 0.406 32.135 31.700 0.049 0.000 0.901 122 D N 3.144 123.642 120.400 0.162 0.000 2.317 122 D HA 0.129 4.770 4.640 0.001 0.000 0.234 122 D C -1.282 175.168 176.300 0.249 0.000 1.112 122 D CA -2.573 51.569 54.000 0.237 0.000 0.840 122 D CB 0.857 41.895 40.800 0.396 0.000 1.078 122 D HN 0.151 nan 8.370 nan 0.000 0.486 123 P HA -0.165 nan 4.420 nan 0.000 0.223 123 P C 1.668 179.011 177.300 0.072 0.000 1.144 123 P CA 0.272 63.429 63.100 0.095 0.000 0.783 123 P CB 0.419 32.145 31.700 0.045 0.000 0.771 124 L N -0.707 120.560 121.223 0.074 0.000 2.079 124 L HA -0.100 4.241 4.340 0.001 0.000 0.210 124 L C 1.990 178.680 176.870 -0.300 0.000 1.081 124 L CA 1.948 56.710 54.840 -0.131 0.000 0.752 124 L CB -1.280 40.662 42.059 -0.195 0.000 0.896 124 L HN -0.209 nan 8.230 nan 0.000 0.433 125 F N -0.670 119.331 119.950 0.086 0.000 2.797 125 F HA 0.234 4.762 4.527 0.001 0.000 0.302 125 F C 0.664 176.507 175.800 0.073 0.000 1.130 125 F CA 0.009 58.067 58.000 0.098 0.000 1.387 125 F CB -0.048 39.051 39.000 0.164 0.000 1.107 125 F HN 0.232 nan 8.300 nan 0.000 0.577 126 N N -0.279 118.514 118.700 0.156 0.000 4.036 126 N HA 0.030 4.771 4.740 0.001 0.000 0.178 126 N C -2.557 172.983 175.510 0.050 0.000 1.378 126 N CA -0.832 52.268 53.050 0.084 0.000 0.851 126 N CB 0.864 39.397 38.487 0.077 0.000 1.714 126 N HN -0.236 nan 8.380 nan 0.000 0.771 127 P HA 0.025 nan 4.420 nan 0.000 0.233 127 P C 1.276 178.576 177.300 0.001 0.000 1.167 127 P CA 0.325 63.429 63.100 0.008 0.000 0.770 127 P CB 0.766 32.461 31.700 -0.009 0.000 0.837 128 L N -0.079 121.142 121.223 -0.002 0.000 2.095 128 L HA -0.017 4.324 4.340 0.001 0.000 0.204 128 L C 2.865 179.731 176.870 -0.007 0.000 1.080 128 L CA 1.284 56.117 54.840 -0.011 0.000 0.759 128 L CB -0.762 41.285 42.059 -0.020 0.000 0.914 128 L HN -0.069 nan 8.230 nan 0.000 0.439 129 K N 0.247 120.646 120.400 -0.000 0.000 2.097 129 K HA -0.163 4.158 4.320 0.001 0.000 0.206 129 K C 1.827 178.431 176.600 0.006 0.000 1.049 129 K CA 1.852 58.139 56.287 0.001 0.000 0.933 129 K CB 0.023 32.527 32.500 0.006 0.000 0.717 129 K HN 0.379 nan 8.250 nan 0.000 0.442 130 T N -3.535 111.027 114.554 0.013 0.000 3.107 130 T HA 0.215 4.565 4.350 0.001 0.000 0.249 130 T C 1.147 175.849 174.700 0.004 0.000 1.096 130 T CA 0.313 62.421 62.100 0.013 0.000 1.012 130 T CB 0.449 69.332 68.868 0.023 0.000 0.977 130 T HN 0.362 nan 8.240 nan 0.000 0.527 131 G N 0.630 109.429 108.800 -0.001 0.000 2.136 131 G HA2 -0.291 3.669 3.960 0.001 0.000 0.242 131 G HA3 -0.291 3.669 3.960 0.001 0.000 0.242 131 G C 0.810 175.706 174.900 -0.008 0.000 0.989 131 G CA 0.156 45.253 45.100 -0.006 0.000 0.682 131 G HN 0.477 nan 8.290 nan 0.000 0.522 132 V N -0.176 119.734 119.914 -0.007 0.000 2.343 132 V HA -0.053 4.068 4.120 0.001 0.000 0.247 132 V C 2.004 178.089 176.094 -0.015 0.000 1.051 132 V CA 2.084 64.377 62.300 -0.011 0.000 1.036 132 V CB -0.566 31.251 31.823 -0.010 0.000 0.654 132 V HN 1.438 nan 8.190 nan 0.000 0.451 133 c N -2.149 116.442 118.600 -0.016 0.000 3.285 133 c HA 0.787 5.358 4.570 0.001 0.000 0.320 133 c C -0.810 173.269 174.090 -0.019 0.000 1.411 133 c CA -1.088 55.229 56.329 -0.019 0.000 1.429 133 c CB 1.591 44.088 42.510 -0.022 0.000 1.812 133 c HN 0.418 nan 8.230 nan 0.000 0.454 134 Q N 0.329 120.116 119.800 -0.022 0.000 2.433 134 Q HA 0.696 5.037 4.340 0.001 0.000 0.279 134 Q C -1.232 174.752 176.000 -0.027 0.000 1.105 134 Q CA -0.625 55.164 55.803 -0.023 0.000 0.815 134 Q CB 2.376 31.101 28.738 -0.021 0.000 1.403 134 Q HN 0.680 nan 8.270 nan 0.000 0.435 135 L N 0.969 122.174 121.223 -0.030 0.000 2.399 135 L HA 0.259 4.600 4.340 0.001 0.000 0.266 135 L C -0.038 176.813 176.870 -0.032 0.000 1.114 135 L CA -0.564 54.256 54.840 -0.034 0.000 0.804 135 L CB 0.703 42.738 42.059 -0.040 0.000 1.146 135 L HN 0.594 nan 8.230 nan 0.000 0.451 136 D N 2.013 122.394 120.400 -0.033 0.000 2.393 136 D HA -0.021 4.620 4.640 0.001 0.000 0.232 136 D C 0.833 177.114 176.300 -0.032 0.000 1.192 136 D CA 0.028 54.011 54.000 -0.030 0.000 0.882 136 D CB 0.536 41.318 40.800 -0.029 0.000 1.038 136 D HN 0.424 nan 8.370 nan 0.000 0.499 137 N N 3.771 122.453 118.700 -0.030 0.000 2.021 137 N HA -0.275 4.466 4.740 0.001 0.000 0.198 137 N C 1.468 176.959 175.510 -0.032 0.000 1.041 137 N CA 1.943 54.975 53.050 -0.031 0.000 0.862 137 N CB -0.065 38.406 38.487 -0.026 0.000 1.048 137 N HN 0.537 nan 8.380 nan 0.000 0.427 138 A N 0.887 123.691 122.820 -0.027 0.000 1.908 138 A HA -0.179 4.142 4.320 0.001 0.000 0.218 138 A C 2.153 179.719 177.584 -0.029 0.000 1.181 138 A CA 1.757 53.778 52.037 -0.026 0.000 0.627 138 A CB -0.982 18.006 19.000 -0.021 0.000 0.818 138 A HN 0.664 nan 8.150 nan 0.000 0.445 139 N N -0.456 118.226 118.700 -0.030 0.000 2.216 139 N HA -0.112 4.629 4.740 0.001 0.000 0.183 139 N C 1.616 177.101 175.510 -0.042 0.000 1.017 139 N CA 1.303 54.333 53.050 -0.033 0.000 0.861 139 N CB -0.037 38.431 38.487 -0.032 0.000 0.986 139 N HN 0.228 nan 8.380 nan 0.000 0.428 140 V N 0.745 120.631 119.914 -0.047 0.000 2.358 140 V HA -0.171 3.950 4.120 0.001 0.000 0.246 140 V C 2.198 178.254 176.094 -0.063 0.000 1.047 140 V CA 1.721 63.985 62.300 -0.059 0.000 1.035 140 V CB -0.687 31.100 31.823 -0.060 0.000 0.658 140 V HN 0.420 nan 8.190 nan 0.000 0.452 141 T N -0.435 114.087 114.554 -0.052 0.000 2.684 141 T HA -0.244 4.107 4.350 0.001 0.000 0.267 141 T C 1.851 176.522 174.700 -0.049 0.000 1.036 141 T CA 1.816 63.886 62.100 -0.050 0.000 1.148 141 T CB -0.409 68.436 68.868 -0.038 0.000 0.863 141 T HN 0.569 nan 8.240 nan 0.000 0.436 142 D N 1.152 121.527 120.400 -0.041 0.000 2.117 142 D HA -0.072 4.568 4.640 0.001 0.000 0.197 142 D C 2.314 178.588 176.300 -0.043 0.000 0.987 142 D CA 1.305 55.284 54.000 -0.035 0.000 0.829 142 D CB -0.145 40.638 40.800 -0.027 0.000 0.961 142 D HN 0.373 nan 8.370 nan 0.000 0.460 143 A N 0.734 123.521 122.820 -0.054 0.000 1.898 143 A HA -0.086 4.235 4.320 0.001 0.000 0.216 143 A C 2.561 180.090 177.584 -0.092 0.000 1.181 143 A CA 0.945 52.942 52.037 -0.067 0.000 0.620 143 A CB -0.613 18.343 19.000 -0.074 0.000 0.819 143 A HN 0.336 nan 8.150 nan 0.000 0.442 144 I N -0.611 119.896 120.570 -0.105 0.000 2.202 144 I HA -0.182 3.989 4.170 0.001 0.000 0.242 144 I C 2.157 178.200 176.117 -0.123 0.000 1.091 144 I CA 0.644 61.859 61.300 -0.141 0.000 1.368 144 I CB -0.297 37.617 38.000 -0.145 0.000 1.058 144 I HN 0.190 nan 8.210 nan 0.000 0.410 145 L N 0.331 121.504 121.223 -0.083 0.000 2.042 145 L HA -0.211 4.130 4.340 0.001 0.000 0.210 145 L C 2.769 179.625 176.870 -0.024 0.000 1.076 145 L CA 1.726 56.534 54.840 -0.053 0.000 0.749 145 L CB -1.563 40.477 42.059 -0.031 0.000 0.893 145 L HN 0.230 nan 8.230 nan 0.000 0.432 146 S N -0.327 115.358 115.700 -0.024 0.000 2.359 146 S HA -0.189 4.282 4.470 0.001 0.000 0.224 146 S C 2.039 176.653 174.600 0.023 0.000 1.035 146 S CA 1.021 59.221 58.200 0.000 0.000 1.018 146 S CB -0.029 63.164 63.200 -0.011 0.000 0.876 146 S HN 0.427 nan 8.310 nan 0.000 0.448 147 R N 0.739 121.234 120.500 -0.008 0.000 2.235 147 R HA 0.130 4.471 4.340 0.001 0.000 0.213 147 R C 2.096 178.494 176.300 0.165 0.000 1.059 147 R CA 0.926 57.057 56.100 0.052 0.000 0.997 147 R CB -0.457 29.768 30.300 -0.126 0.000 0.884 147 R HN 0.475 nan 8.270 nan 0.000 0.462 148 A N 0.579 123.429 122.820 0.050 0.000 2.251 148 A HA 0.277 4.598 4.320 0.001 0.000 0.209 148 A C 1.407 179.139 177.584 0.246 0.000 1.187 148 A CA 0.661 52.753 52.037 0.092 0.000 0.823 148 A CB 0.029 18.950 19.000 -0.133 0.000 0.846 148 A HN 0.414 nan 8.150 nan 0.000 0.486 149 G N -2.722 106.178 108.800 0.167 0.000 2.141 149 G HA2 0.150 4.111 3.960 0.001 0.000 0.242 149 G HA3 0.150 4.111 3.960 0.001 0.000 0.242 149 G C 1.431 176.395 174.900 0.106 0.000 0.982 149 G CA 0.852 46.039 45.100 0.144 0.000 0.662 149 G HN 2.057 nan 8.290 nan 0.000 0.527 150 G N -1.964 106.883 108.800 0.078 0.000 2.376 150 G HA2 0.272 4.233 3.960 0.001 0.000 0.208 150 G HA3 0.272 4.233 3.960 0.001 0.000 0.208 150 G C 0.570 175.499 174.900 0.050 0.000 1.032 150 G CA 1.233 46.365 45.100 0.054 0.000 0.641 150 G HN 2.623 nan 8.290 nan 0.000 0.503 151 S N -0.532 115.214 115.700 0.077 0.000 2.550 151 S HA 0.724 5.195 4.470 0.001 0.000 0.270 151 S C 0.799 175.464 174.600 0.107 0.000 1.145 151 S CA -0.320 57.920 58.200 0.068 0.000 0.852 151 S CB 1.419 64.657 63.200 0.063 0.000 1.119 151 S HN 0.339 nan 8.310 nan 0.000 0.465 152 I N 1.299 121.914 120.570 0.075 0.000 2.394 152 I HA -0.030 4.141 4.170 0.001 0.000 0.251 152 I C 2.781 179.009 176.117 0.185 0.000 1.136 152 I CA 1.684 63.051 61.300 0.112 0.000 1.425 152 I CB -2.050 35.978 38.000 0.047 0.000 1.079 152 I HN 0.894 nan 8.210 nan 0.000 0.425 153 A N 0.831 123.720 122.820 0.115 0.000 1.877 153 A HA -0.285 4.036 4.320 0.001 0.000 0.216 153 A C 2.161 179.813 177.584 0.115 0.000 1.186 153 A CA 2.223 54.312 52.037 0.088 0.000 0.620 153 A CB -0.919 18.109 19.000 0.046 0.000 0.822 153 A HN 0.422 nan 8.150 nan 0.000 0.443 154 D N -1.923 118.561 120.400 0.140 0.000 2.178 154 D HA -0.144 4.497 4.640 0.001 0.000 0.202 154 D C 1.597 178.047 176.300 0.250 0.000 0.974 154 D CA 1.162 55.255 54.000 0.155 0.000 0.841 154 D CB -0.169 40.733 40.800 0.170 0.000 0.953 154 D HN 0.379 nan 8.370 nan 0.000 0.478 155 F N 0.819 120.853 119.950 0.139 0.000 2.075 155 F HA -0.176 4.352 4.527 0.001 0.000 0.297 155 F C 2.567 178.483 175.800 0.194 0.000 1.113 155 F CA 2.174 60.274 58.000 0.168 0.000 1.218 155 F CB -0.906 38.178 39.000 0.139 0.000 0.984 155 F HN 0.058 nan 8.300 nan 0.000 0.472 156 T N -2.305 112.445 114.554 0.327 0.000 2.867 156 T HA -0.030 4.320 4.350 0.001 0.000 0.268 156 T C 2.299 177.094 174.700 0.159 0.000 1.057 156 T CA 0.962 63.235 62.100 0.289 0.000 1.136 156 T CB -1.493 67.471 68.868 0.159 0.000 0.874 156 T HN 0.320 nan 8.240 nan 0.000 0.466 157 G N 0.736 109.578 108.800 0.069 0.000 2.442 157 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 157 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 157 G C 1.522 176.367 174.900 -0.091 0.000 1.141 157 G CA 0.625 45.706 45.100 -0.031 0.000 0.763 157 G HN 0.588 nan 8.290 nan 0.000 0.554 158 H N 0.113 119.173 119.070 -0.017 0.000 2.556 158 H HA 0.155 4.712 4.556 0.001 0.000 0.268 158 H C 1.555 176.841 175.328 -0.071 0.000 0.996 158 H CA 0.599 56.611 56.048 -0.060 0.000 1.157 158 H CB 0.384 30.076 29.762 -0.118 0.000 1.355 158 H HN 0.348 nan 8.280 nan 0.000 0.597 159 R N 0.006 120.548 120.500 0.069 0.000 2.629 159 R HA 0.087 4.427 4.340 0.001 0.000 0.386 159 R C 1.295 177.708 176.300 0.188 0.000 1.071 159 R CA -0.168 55.964 56.100 0.053 0.000 1.104 159 R CB 0.702 30.972 30.300 -0.050 0.000 1.370 159 R HN 0.051 nan 8.270 nan 0.000 0.574 160 Q N 0.279 120.195 119.800 0.192 0.000 2.135 160 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 160 Q C 1.460 177.552 176.000 0.153 0.000 0.981 160 Q CA 1.842 57.775 55.803 0.216 0.000 0.856 160 Q CB -0.154 28.638 28.738 0.090 0.000 0.902 160 Q HN 0.233 nan 8.270 nan 0.000 0.425 161 T N 1.171 115.771 114.554 0.076 0.000 2.720 161 T HA -0.134 4.216 4.350 0.001 0.000 0.268 161 T C 1.834 176.552 174.700 0.029 0.000 1.037 161 T CA 1.530 63.654 62.100 0.041 0.000 1.144 161 T CB -0.215 68.661 68.868 0.014 0.000 0.864 161 T HN 0.434 nan 8.240 nan 0.000 0.444 162 A N 0.641 123.457 122.820 -0.007 0.000 1.930 162 A HA 0.072 4.392 4.320 0.001 0.000 0.217 162 A C 1.941 179.471 177.584 -0.090 0.000 1.175 162 A CA 1.058 53.046 52.037 -0.082 0.000 0.627 162 A CB -0.882 18.009 19.000 -0.182 0.000 0.815 162 A HN 0.435 nan 8.150 nan 0.000 0.443 163 F N 0.036 119.994 119.950 0.013 0.000 2.234 163 F HA -0.063 4.464 4.527 0.001 0.000 0.299 163 F C 2.554 178.350 175.800 -0.007 0.000 1.087 163 F CA 1.388 59.389 58.000 0.002 0.000 1.340 163 F CB -0.179 38.815 39.000 -0.011 0.000 1.031 163 F HN 0.117 nan 8.300 nan 0.000 0.500 164 R N -0.360 120.246 120.500 0.177 0.000 2.115 164 R HA -0.135 4.206 4.340 0.001 0.000 0.226 164 R C 2.019 178.364 176.300 0.075 0.000 1.100 164 R CA 1.153 57.320 56.100 0.111 0.000 0.980 164 R CB -0.290 30.060 30.300 0.084 0.000 0.875 164 R HN 0.190 nan 8.270 nan 0.000 0.445 165 E N 1.232 121.462 120.200 0.049 0.000 2.047 165 E HA -0.181 4.170 4.350 0.001 0.000 0.191 165 E C 1.774 178.393 176.600 0.032 0.000 0.987 165 E CA 0.858 57.267 56.400 0.016 0.000 0.799 165 E CB -0.165 29.529 29.700 -0.009 0.000 0.752 165 E HN 0.114 nan 8.360 nan 0.000 0.449 166 L N 1.158 122.422 121.223 0.067 0.000 2.017 166 L HA -0.146 4.195 4.340 0.001 0.000 0.208 166 L C 1.835 178.793 176.870 0.147 0.000 1.073 166 L CA 2.033 56.956 54.840 0.138 0.000 0.745 166 L CB -0.611 41.540 42.059 0.153 0.000 0.894 166 L HN 0.176 nan 8.230 nan 0.000 0.432 167 E N -0.784 119.480 120.200 0.106 0.000 2.085 167 E HA -0.247 4.103 4.350 0.001 0.000 0.194 167 E C 2.282 178.973 176.600 0.152 0.000 0.994 167 E CA 0.927 57.401 56.400 0.122 0.000 0.801 167 E CB -0.254 29.520 29.700 0.123 0.000 0.743 167 E HN 0.348 nan 8.360 nan 0.000 0.453 168 R N 0.990 121.546 120.500 0.093 0.000 2.073 168 R HA -0.121 4.219 4.340 0.001 0.000 0.234 168 R C 2.204 178.521 176.300 0.028 0.000 1.134 168 R CA 1.101 57.231 56.100 0.050 0.000 0.952 168 R CB -0.483 29.827 30.300 0.017 0.000 0.850 168 R HN 0.111 nan 8.270 nan 0.000 0.433 169 V N 1.325 121.251 119.914 0.020 0.000 2.626 169 V HA -0.194 3.927 4.120 0.001 0.000 0.252 169 V C 2.270 178.437 176.094 0.123 0.000 1.067 169 V CA 1.301 63.591 62.300 -0.018 0.000 1.081 169 V CB -0.282 31.426 31.823 -0.191 0.000 0.686 169 V HN 0.279 nan 8.190 nan 0.000 0.468 170 L N -0.365 120.963 121.223 0.175 0.000 2.446 170 L HA 0.174 4.515 4.340 0.001 0.000 0.219 170 L C 1.227 178.073 176.870 -0.039 0.000 1.116 170 L CA 0.548 55.480 54.840 0.153 0.000 0.844 170 L CB -0.384 41.850 42.059 0.292 0.000 0.970 170 L HN 0.520 nan 8.230 nan 0.000 0.457 171 N N -0.791 117.917 118.700 0.013 0.000 2.758 171 N HA -0.303 4.438 4.740 0.001 0.000 0.248 171 N C 0.688 176.225 175.510 0.045 0.000 1.076 171 N CA 0.246 53.281 53.050 -0.024 0.000 0.696 171 N CB -1.493 36.906 38.487 -0.148 0.000 0.979 171 N HN 0.247 nan 8.380 nan 0.000 0.550 172 F N 1.573 121.511 119.950 -0.020 0.000 2.115 172 F HA -0.106 4.422 4.527 0.001 0.000 0.300 172 F C -0.517 175.279 175.800 -0.006 0.000 1.092 172 F CA 2.229 60.236 58.000 0.011 0.000 1.245 172 F CB -0.996 38.038 39.000 0.056 0.000 0.995 172 F HN 0.297 nan 8.300 nan 0.000 0.481 173 P HA -0.222 nan 4.420 nan 0.000 0.216 173 P C 0.707 177.895 177.300 -0.188 0.000 1.150 173 P CA 1.620 64.628 63.100 -0.153 0.000 0.843 173 P CB -0.171 31.503 31.700 -0.045 0.000 0.787 174 Q N 0.172 119.886 119.800 -0.143 0.000 2.212 174 Q HA 0.134 4.475 4.340 0.001 0.000 0.213 174 Q C 0.787 176.701 176.000 -0.144 0.000 0.874 174 Q CA -0.033 55.689 55.803 -0.134 0.000 0.965 174 Q CB -0.087 28.584 28.738 -0.111 0.000 1.074 174 Q HN 0.326 nan 8.270 nan 0.000 0.473 175 S N -0.926 114.661 115.700 -0.188 0.000 2.652 175 S HA 0.305 4.775 4.470 0.001 0.000 0.270 175 S C 1.043 175.562 174.600 -0.135 0.000 1.243 175 S CA -0.615 57.503 58.200 -0.136 0.000 0.999 175 S CB 1.306 64.450 63.200 -0.094 0.000 0.973 175 S HN 0.068 nan 8.310 nan 0.000 0.544 176 N N 0.076 118.738 118.700 -0.062 0.000 2.188 176 N HA -0.081 4.660 4.740 0.001 0.000 0.184 176 N C 1.562 177.039 175.510 -0.055 0.000 1.018 176 N CA 0.885 53.907 53.050 -0.046 0.000 0.858 176 N CB -0.761 37.723 38.487 -0.005 0.000 0.989 176 N HN 0.637 nan 8.380 nan 0.000 0.426 177 L N 1.101 122.303 121.223 -0.036 0.000 2.081 177 L HA -0.164 4.177 4.340 0.001 0.000 0.212 177 L C 2.249 179.044 176.870 -0.125 0.000 1.080 177 L CA 1.601 56.431 54.840 -0.017 0.000 0.754 177 L CB -0.811 41.317 42.059 0.116 0.000 0.893 177 L HN 0.140 nan 8.230 nan 0.000 0.433 178 c N -1.063 117.354 118.600 -0.304 0.000 2.543 178 c HA -0.031 4.539 4.570 0.001 0.000 0.281 178 c C 2.656 176.637 174.090 -0.182 0.000 1.276 178 c CA 0.504 56.628 56.329 -0.341 0.000 1.700 178 c CB -0.921 41.252 42.510 -0.562 0.000 2.093 178 c HN 0.563 nan 8.230 nan 0.000 0.488 179 L N 0.490 121.619 121.223 -0.156 0.000 2.191 179 L HA -0.134 4.207 4.340 0.001 0.000 0.212 179 L C 1.961 178.791 176.870 -0.067 0.000 1.103 179 L CA 1.470 56.250 54.840 -0.100 0.000 0.769 179 L CB -0.615 41.391 42.059 -0.088 0.000 0.908 179 L HN 0.440 nan 8.230 nan 0.000 0.438 180 K N 0.073 120.437 120.400 -0.060 0.000 2.410 180 K HA 0.084 4.405 4.320 0.001 0.000 0.200 180 K C 0.617 177.202 176.600 -0.027 0.000 1.023 180 K CA -0.255 56.011 56.287 -0.034 0.000 1.149 180 K CB 0.216 32.703 32.500 -0.021 0.000 0.859 180 K HN 0.163 nan 8.250 nan 0.000 0.514 181 R N 1.661 122.138 120.500 -0.038 0.000 2.438 181 R HA 0.015 4.356 4.340 0.001 0.000 0.287 181 R C 0.195 176.484 176.300 -0.018 0.000 1.077 181 R CA 0.242 56.328 56.100 -0.024 0.000 1.034 181 R CB 0.600 30.880 30.300 -0.034 0.000 0.993 181 R HN 0.135 nan 8.270 nan 0.000 0.459 182 E N 2.577 122.772 120.200 -0.008 0.000 2.318 182 E HA -0.076 4.275 4.350 0.001 0.000 0.193 182 E C -0.144 176.453 176.600 -0.006 0.000 0.998 182 E CA 0.697 57.093 56.400 -0.007 0.000 0.859 182 E CB 0.301 30.000 29.700 -0.002 0.000 0.812 182 E HN 0.488 nan 8.360 nan 0.000 0.492 183 K N 1.107 121.505 120.400 -0.004 0.000 2.997 183 K HA 0.151 4.472 4.320 0.001 0.000 0.249 183 K C 0.256 176.852 176.600 -0.005 0.000 1.284 183 K CA 0.052 56.337 56.287 -0.002 0.000 1.245 183 K CB 0.097 32.599 32.500 0.003 0.000 1.670 183 K HN -0.081 nan 8.250 nan 0.000 0.385 184 Q N 0.507 120.300 119.800 -0.011 0.000 2.344 184 Q HA -0.064 4.277 4.340 0.001 0.000 0.212 184 Q C 0.431 176.424 176.000 -0.011 0.000 0.943 184 Q CA 0.142 55.935 55.803 -0.016 0.000 0.955 184 Q CB 0.125 28.849 28.738 -0.023 0.000 1.000 184 Q HN 0.496 nan 8.270 nan 0.000 0.488 185 D N 0.873 121.269 120.400 -0.007 0.000 2.234 185 D HA -0.047 4.594 4.640 0.001 0.000 0.205 185 D C -0.088 176.211 176.300 -0.003 0.000 0.962 185 D CA 0.778 54.776 54.000 -0.005 0.000 0.855 185 D CB 0.542 41.340 40.800 -0.003 0.000 0.951 185 D HN 0.284 nan 8.370 nan 0.000 0.500 186 E N -0.543 119.656 120.200 -0.000 0.000 2.249 186 E HA 0.415 4.765 4.350 0.001 0.000 0.263 186 E C -0.385 176.219 176.600 0.006 0.000 0.950 186 E CA -0.779 55.623 56.400 0.004 0.000 0.827 186 E CB 1.741 31.445 29.700 0.007 0.000 1.220 186 E HN -0.172 nan 8.360 nan 0.000 0.411 187 S N 0.478 116.185 115.700 0.013 0.000 2.576 187 S HA -0.020 4.451 4.470 0.001 0.000 0.272 187 S C -0.120 174.503 174.600 0.038 0.000 1.352 187 S CA -0.568 57.644 58.200 0.020 0.000 1.021 187 S CB 0.523 63.741 63.200 0.029 0.000 0.887 187 S HN 0.544 nan 8.310 nan 0.000 0.542 188 c N 3.118 121.742 118.600 0.040 0.000 2.585 188 c HA 0.602 5.173 4.570 0.001 0.000 0.406 188 c C 0.530 174.777 174.090 0.261 0.000 1.312 188 c CA -0.062 56.313 56.329 0.078 0.000 1.924 188 c CB -0.504 41.945 42.510 -0.101 0.000 2.578 188 c HN 0.769 nan 8.230 nan 0.000 0.580 189 S N 4.645 120.542 115.700 0.328 0.000 2.575 189 S HA 0.429 4.899 4.470 0.001 0.000 0.278 189 S C 0.540 175.246 174.600 0.175 0.000 1.139 189 S CA -0.795 57.559 58.200 0.256 0.000 0.954 189 S CB 1.083 64.331 63.200 0.080 0.000 1.054 189 S HN 0.799 nan 8.310 nan 0.000 0.483 190 L N 3.151 124.279 121.223 -0.157 0.000 1.990 190 L HA -0.124 4.217 4.340 0.001 0.000 0.213 190 L C 2.884 179.624 176.870 -0.217 0.000 1.072 190 L CA 2.233 56.867 54.840 -0.343 0.000 0.755 190 L CB -0.760 41.039 42.059 -0.432 0.000 0.889 190 L HN 0.944 nan 8.230 nan 0.000 0.432 191 T N -3.965 110.379 114.554 -0.349 0.000 2.833 191 T HA -0.248 4.102 4.350 0.001 0.000 0.269 191 T C 1.733 176.339 174.700 -0.157 0.000 1.054 191 T CA 1.248 63.126 62.100 -0.371 0.000 1.135 191 T CB -0.157 68.395 68.868 -0.526 0.000 0.869 191 T HN 0.165 nan 8.240 nan 0.000 0.466 192 Q N 1.376 121.127 119.800 -0.081 0.000 2.062 192 Q HA 0.356 4.697 4.340 0.001 0.000 0.196 192 Q C 2.531 178.541 176.000 0.017 0.000 0.967 192 Q CA 1.527 57.319 55.803 -0.018 0.000 0.832 192 Q CB -0.828 27.918 28.738 0.013 0.000 0.899 192 Q HN 0.644 nan 8.270 nan 0.000 0.442 193 A N -0.445 122.413 122.820 0.064 0.000 2.015 193 A HA 0.029 4.350 4.320 0.001 0.000 0.219 193 A C 0.520 178.145 177.584 0.067 0.000 1.163 193 A CA 0.839 52.937 52.037 0.101 0.000 0.646 193 A CB -0.071 19.068 19.000 0.231 0.000 0.806 193 A HN 0.327 nan 8.150 nan 0.000 0.448 194 L N 1.243 122.484 121.223 0.029 0.000 2.488 194 L HA 0.280 4.621 4.340 0.001 0.000 0.250 194 L C -2.654 174.209 176.870 -0.011 0.000 1.280 194 L CA -1.969 52.883 54.840 0.019 0.000 0.929 194 L CB 1.444 43.521 42.059 0.031 0.000 1.200 194 L HN 0.038 nan 8.230 nan 0.000 0.495 195 P HA -0.011 nan 4.420 nan 0.000 0.264 195 P C -0.375 176.923 177.300 -0.002 0.000 1.183 195 P CA 0.199 63.291 63.100 -0.013 0.000 0.763 195 P CB 0.983 32.681 31.700 -0.003 0.000 0.807 196 S N 2.560 118.260 115.700 -0.000 0.000 2.410 196 S HA 0.243 4.714 4.470 0.001 0.000 0.304 196 S C -0.018 174.591 174.600 0.014 0.000 1.095 196 S CA -0.564 57.647 58.200 0.019 0.000 1.089 196 S CB 0.515 63.744 63.200 0.048 0.000 0.968 196 S HN 0.383 nan 8.310 nan 0.000 0.480 197 E N 1.598 121.802 120.200 0.007 0.000 2.195 197 E HA 0.360 4.711 4.350 0.001 0.000 0.271 197 E C -0.951 175.642 176.600 -0.013 0.000 0.923 197 E CA -0.989 55.410 56.400 -0.002 0.000 0.790 197 E CB 1.738 31.436 29.700 -0.003 0.000 1.155 197 E HN 0.340 nan 8.360 nan 0.000 0.402 198 L N 3.167 124.375 121.223 -0.024 0.000 2.313 198 L HA 0.201 4.542 4.340 0.001 0.000 0.282 198 L C -0.926 175.923 176.870 -0.035 0.000 1.092 198 L CA -0.058 54.758 54.840 -0.040 0.000 0.831 198 L CB 0.125 42.151 42.059 -0.055 0.000 1.159 198 L HN 0.241 nan 8.230 nan 0.000 0.442 199 K N 5.159 125.536 120.400 -0.038 0.000 2.274 199 K HA 0.602 4.922 4.320 0.001 0.000 0.262 199 K C -1.300 175.275 176.600 -0.042 0.000 0.961 199 K CA -0.541 55.726 56.287 -0.034 0.000 0.833 199 K CB 2.109 34.592 32.500 -0.028 0.000 1.102 199 K HN 0.417 nan 8.250 nan 0.000 0.436 200 V N 1.951 121.842 119.914 -0.039 0.000 2.577 200 V HA 0.437 4.557 4.120 0.001 0.000 0.303 200 V C -0.194 175.879 176.094 -0.035 0.000 1.042 200 V CA -0.675 61.600 62.300 -0.042 0.000 0.872 200 V CB 1.770 33.566 31.823 -0.046 0.000 0.998 200 V HN 0.961 nan 8.190 nan 0.000 0.423 201 S N 3.369 119.048 115.700 -0.035 0.000 2.740 201 S HA 0.820 5.290 4.470 0.001 0.000 0.300 201 S C 1.026 175.608 174.600 -0.031 0.000 1.147 201 S CA -0.025 58.157 58.200 -0.029 0.000 0.871 201 S CB 1.923 65.108 63.200 -0.026 0.000 1.173 201 S HN 1.068 nan 8.310 nan 0.000 0.510 202 A N 0.864 123.669 122.820 -0.026 0.000 1.940 202 A HA -0.087 4.234 4.320 0.001 0.000 0.219 202 A C 1.565 179.133 177.584 -0.027 0.000 1.176 202 A CA 2.085 54.106 52.037 -0.025 0.000 0.631 202 A CB -1.117 17.871 19.000 -0.021 0.000 0.814 202 A HN 0.944 nan 8.150 nan 0.000 0.446 203 D N -2.480 117.905 120.400 -0.025 0.000 2.379 203 D HA 0.190 4.831 4.640 0.001 0.000 0.208 203 D C 0.276 176.557 176.300 -0.032 0.000 1.065 203 D CA 0.210 54.195 54.000 -0.025 0.000 0.848 203 D CB -0.214 40.575 40.800 -0.019 0.000 0.949 203 D HN 0.363 nan 8.370 nan 0.000 0.509 204 N N -0.752 117.925 118.700 -0.038 0.000 3.046 204 N HA 0.455 5.196 4.740 0.001 0.000 0.243 204 N C -2.003 173.474 175.510 -0.055 0.000 1.452 204 N CA -0.559 52.462 53.050 -0.048 0.000 0.882 204 N CB 2.156 40.617 38.487 -0.044 0.000 1.425 204 N HN -0.071 nan 8.380 nan 0.000 0.517 205 V N -0.926 118.947 119.914 -0.069 0.000 2.888 205 V HA 1.003 5.124 4.120 0.001 0.000 0.309 205 V C -0.741 175.304 176.094 -0.082 0.000 1.114 205 V CA -0.412 61.842 62.300 -0.076 0.000 0.940 205 V CB 1.148 32.916 31.823 -0.092 0.000 1.021 205 V HN 0.944 nan 8.190 nan 0.000 0.426 206 S N 3.957 119.615 115.700 -0.070 0.000 2.588 206 S HA 0.852 5.323 4.470 0.001 0.000 0.269 206 S C -1.870 172.700 174.600 -0.050 0.000 1.157 206 S CA -0.851 57.311 58.200 -0.063 0.000 0.824 206 S CB 1.988 65.160 63.200 -0.047 0.000 1.126 206 S HN 0.992 nan 8.310 nan 0.000 0.464 207 L N 2.797 123.999 121.223 -0.035 0.000 2.349 207 L HA 0.661 5.002 4.340 0.001 0.000 0.278 207 L C 0.718 177.594 176.870 0.010 0.000 0.996 207 L CA 0.014 54.846 54.840 -0.012 0.000 0.825 207 L CB 1.379 43.440 42.059 0.003 0.000 1.243 207 L HN 1.185 nan 8.230 nan 0.000 0.412 208 T N -0.147 114.414 114.554 0.012 0.000 2.862 208 T HA 0.828 5.179 4.350 0.001 0.000 0.276 208 T C 0.583 175.304 174.700 0.034 0.000 0.974 208 T CA 0.194 62.306 62.100 0.020 0.000 0.966 208 T CB 1.833 70.709 68.868 0.012 0.000 1.072 208 T HN 1.127 nan 8.240 nan 0.000 0.538 209 G N 0.513 109.335 108.800 0.038 0.000 2.542 209 G HA2 0.083 4.044 3.960 0.001 0.000 0.235 209 G HA3 0.083 4.044 3.960 0.001 0.000 0.235 209 G C 1.009 175.947 174.900 0.064 0.000 1.286 209 G CA 0.382 45.506 45.100 0.040 0.000 0.904 209 G HN 1.649 nan 8.290 nan 0.000 0.577 210 A N -1.112 121.733 122.820 0.043 0.000 1.972 210 A HA 0.219 4.540 4.320 0.001 0.000 0.219 210 A C 2.747 180.496 177.584 0.275 0.000 1.169 210 A CA 3.212 55.303 52.037 0.089 0.000 0.635 210 A CB -0.534 18.387 19.000 -0.133 0.000 0.810 210 A HN 1.553 nan 8.150 nan 0.000 0.446 211 V N 0.837 120.900 119.914 0.249 0.000 2.261 211 V HA -0.258 3.863 4.120 0.001 0.000 0.246 211 V C 3.013 179.247 176.094 0.234 0.000 1.047 211 V CA 2.513 65.014 62.300 0.334 0.000 1.015 211 V CB -0.889 31.089 31.823 0.257 0.000 0.642 211 V HN 0.806 nan 8.190 nan 0.000 0.446 212 S N -0.050 115.742 115.700 0.154 0.000 2.414 212 S HA -0.105 4.366 4.470 0.001 0.000 0.227 212 S C 1.909 176.581 174.600 0.120 0.000 1.022 212 S CA 1.257 59.529 58.200 0.119 0.000 0.958 212 S CB -0.470 62.771 63.200 0.069 0.000 0.797 212 S HN 0.375 nan 8.310 nan 0.000 0.493 213 L N 2.383 123.679 121.223 0.121 0.000 2.017 213 L HA 0.186 4.527 4.340 0.001 0.000 0.208 213 L C 2.659 179.602 176.870 0.121 0.000 1.073 213 L CA 1.821 56.723 54.840 0.104 0.000 0.745 213 L CB -1.290 40.834 42.059 0.108 0.000 0.894 213 L HN 0.331 nan 8.230 nan 0.000 0.432 214 A N -1.583 121.347 122.820 0.182 0.000 1.933 214 A HA -0.215 4.106 4.320 0.001 0.000 0.218 214 A C 2.526 180.189 177.584 0.130 0.000 1.175 214 A CA 1.867 54.001 52.037 0.162 0.000 0.628 214 A CB -1.113 18.002 19.000 0.190 0.000 0.814 214 A HN 0.554 nan 8.150 nan 0.000 0.444 215 S N -1.085 114.723 115.700 0.180 0.000 2.368 215 S HA -0.178 4.292 4.470 0.001 0.000 0.225 215 S C 2.091 176.863 174.600 0.287 0.000 1.030 215 S CA 1.718 60.093 58.200 0.293 0.000 0.999 215 S CB -0.393 62.989 63.200 0.302 0.000 0.844 215 S HN 0.601 nan 8.310 nan 0.000 0.459 216 M N 0.036 119.725 119.600 0.147 0.000 2.123 216 M HA -0.029 4.451 4.480 0.001 0.000 0.263 216 M C 1.722 177.953 176.300 -0.113 0.000 1.069 216 M CA 1.331 56.647 55.300 0.028 0.000 1.133 216 M CB -0.229 32.367 32.600 -0.007 0.000 1.356 216 M HN 0.350 nan 8.290 nan 0.000 0.415 217 L N 0.627 121.778 121.223 -0.120 0.000 2.046 217 L HA -0.169 4.171 4.340 0.001 0.000 0.208 217 L C 2.842 179.429 176.870 -0.472 0.000 1.077 217 L CA 2.403 57.066 54.840 -0.295 0.000 0.747 217 L CB -1.543 40.466 42.059 -0.083 0.000 0.896 217 L HN 0.521 nan 8.230 nan 0.000 0.432 218 T N -3.570 110.897 114.554 -0.146 0.000 2.867 218 T HA -0.204 4.147 4.350 0.001 0.000 0.268 218 T C 1.765 176.461 174.700 -0.007 0.000 1.057 218 T CA 1.219 63.340 62.100 0.035 0.000 1.136 218 T CB -0.257 68.700 68.868 0.149 0.000 0.874 218 T HN 0.236 nan 8.240 nan 0.000 0.466 219 E N 1.461 121.552 120.200 -0.182 0.000 2.106 219 E HA 0.014 4.365 4.350 0.001 0.000 0.192 219 E C 1.966 178.492 176.600 -0.124 0.000 0.984 219 E CA 0.875 57.101 56.400 -0.290 0.000 0.806 219 E CB -0.693 28.701 29.700 -0.509 0.000 0.750 219 E HN 0.678 nan 8.360 nan 0.000 0.458 220 I N -0.026 120.439 120.570 -0.176 0.000 2.286 220 I HA -0.219 3.952 4.170 0.001 0.000 0.248 220 I C 1.555 177.762 176.117 0.151 0.000 1.115 220 I CA 0.693 61.929 61.300 -0.107 0.000 1.392 220 I CB -0.303 37.524 38.000 -0.289 0.000 1.065 220 I HN 0.103 nan 8.210 nan 0.000 0.418 221 F N 0.474 120.576 119.950 0.252 0.000 2.146 221 F HA -0.182 4.346 4.527 0.001 0.000 0.298 221 F C 2.329 178.402 175.800 0.455 0.000 1.096 221 F CA 1.067 59.265 58.000 0.329 0.000 1.275 221 F CB -1.109 38.040 39.000 0.248 0.000 1.008 221 F HN -0.010 nan 8.300 nan 0.000 0.480 222 L N -0.684 120.855 121.223 0.527 0.000 2.083 222 L HA -0.206 4.135 4.340 0.001 0.000 0.209 222 L C 2.162 179.122 176.870 0.151 0.000 1.083 222 L CA 1.118 56.095 54.840 0.227 0.000 0.752 222 L CB -0.394 41.716 42.059 0.085 0.000 0.899 222 L HN 0.008 nan 8.230 nan 0.000 0.433 223 L N -0.302 121.046 121.223 0.208 0.000 2.046 223 L HA -0.226 4.115 4.340 0.001 0.000 0.208 223 L C 2.610 179.783 176.870 0.505 0.000 1.077 223 L CA 1.744 56.757 54.840 0.287 0.000 0.747 223 L CB -1.139 41.020 42.059 0.167 0.000 0.896 223 L HN 0.395 nan 8.230 nan 0.000 0.432 224 Q N -1.308 118.800 119.800 0.513 0.000 2.030 224 Q HA -0.309 4.032 4.340 0.001 0.000 0.204 224 Q C 2.212 178.304 176.000 0.152 0.000 0.986 224 Q CA 1.898 57.877 55.803 0.293 0.000 0.843 224 Q CB -0.246 28.664 28.738 0.287 0.000 0.904 224 Q HN 0.435 nan 8.270 nan 0.000 0.420 225 Q N 0.694 120.613 119.800 0.198 0.000 2.030 225 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 225 Q C 1.895 177.896 176.000 0.002 0.000 0.986 225 Q CA 2.048 57.893 55.803 0.070 0.000 0.843 225 Q CB -0.460 28.197 28.738 -0.137 0.000 0.904 225 Q HN 0.378 nan 8.270 nan 0.000 0.420 226 A N -0.243 122.588 122.820 0.018 0.000 2.015 226 A HA -0.177 4.144 4.320 0.001 0.000 0.219 226 A C 1.980 179.610 177.584 0.076 0.000 1.163 226 A CA 1.611 53.667 52.037 0.032 0.000 0.646 226 A CB -0.595 18.436 19.000 0.052 0.000 0.806 226 A HN 0.496 nan 8.150 nan 0.000 0.448 227 Q N -0.798 119.069 119.800 0.112 0.000 2.435 227 Q HA 0.221 4.562 4.340 0.001 0.000 0.207 227 Q C 1.077 177.063 176.000 -0.024 0.000 0.956 227 Q CA 1.192 57.037 55.803 0.070 0.000 0.917 227 Q CB -0.393 28.339 28.738 -0.011 0.000 0.997 227 Q HN 1.019 nan 8.270 nan 0.000 0.497 228 G N 0.161 108.950 108.800 -0.019 0.000 2.136 228 G HA2 -0.275 3.685 3.960 0.001 0.000 0.242 228 G HA3 -0.275 3.685 3.960 0.001 0.000 0.242 228 G C -0.066 174.798 174.900 -0.061 0.000 0.989 228 G CA 0.301 45.385 45.100 -0.028 0.000 0.682 228 G HN 0.306 nan 8.290 nan 0.000 0.522 229 M N 0.130 119.668 119.600 -0.103 0.000 2.239 229 M HA 0.164 4.644 4.480 0.001 0.000 0.348 229 M C -0.342 175.922 176.300 -0.061 0.000 1.239 229 M CA -1.141 54.079 55.300 -0.133 0.000 1.114 229 M CB 0.238 32.709 32.600 -0.215 0.000 1.641 229 M HN -0.090 nan 8.290 nan 0.000 0.453 230 P HA -0.210 nan 4.420 nan 0.000 0.210 230 P C -0.578 176.716 177.300 -0.009 0.000 1.151 230 P CA 1.588 64.673 63.100 -0.025 0.000 0.949 230 P CB 0.189 31.873 31.700 -0.027 0.000 0.786 231 E N -1.182 119.003 120.200 -0.024 0.000 2.489 231 E HA 0.284 4.635 4.350 0.001 0.000 0.232 231 E C -2.494 174.063 176.600 -0.071 0.000 0.990 231 E CA -2.067 54.320 56.400 -0.021 0.000 0.768 231 E CB 0.799 30.494 29.700 -0.007 0.000 1.270 231 E HN 0.199 nan 8.360 nan 0.000 0.423 232 P HA -0.011 nan 4.420 nan 0.000 0.266 232 P C 0.714 177.869 177.300 -0.242 0.000 1.195 232 P CA 0.594 63.682 63.100 -0.021 0.000 0.768 232 P CB 0.649 32.494 31.700 0.242 0.000 0.838 233 G N 2.766 111.271 108.800 -0.491 0.000 2.249 233 G HA2 -0.232 3.728 3.960 0.001 0.000 0.273 233 G HA3 -0.232 3.728 3.960 0.001 0.000 0.273 233 G C 0.114 174.843 174.900 -0.285 0.000 1.036 233 G CA -0.056 44.558 45.100 -0.809 0.000 0.824 233 G HN 0.610 nan 8.290 nan 0.000 0.504 234 W N -1.954 119.251 121.300 -0.158 0.000 5.361 234 W HA -0.214 4.447 4.660 0.001 0.000 0.385 234 W C 1.507 177.953 176.519 -0.121 0.000 1.458 234 W CA 1.388 58.657 57.345 -0.126 0.000 0.922 234 W CB -2.054 27.316 29.460 -0.151 0.000 2.606 234 W HN 2.091 nan 8.180 nan 0.000 1.450 235 G N -0.682 108.119 108.800 0.001 0.000 2.175 235 G HA2 -0.422 3.539 3.960 0.001 0.000 0.265 235 G HA3 -0.422 3.539 3.960 0.001 0.000 0.265 235 G C 1.049 175.921 174.900 -0.046 0.000 0.979 235 G CA 0.968 46.060 45.100 -0.013 0.000 0.663 235 G HN 0.359 nan 8.290 nan 0.000 0.533 236 R N -0.362 120.090 120.500 -0.079 0.000 2.310 236 R HA 0.394 4.734 4.340 0.001 0.000 0.202 236 R C 0.937 177.108 176.300 -0.215 0.000 0.933 236 R CA 0.312 56.343 56.100 -0.114 0.000 1.054 236 R CB 0.140 30.391 30.300 -0.082 0.000 0.985 236 R HN 0.528 nan 8.270 nan 0.000 0.489 237 I N 1.006 121.394 120.570 -0.303 0.000 2.347 237 I HA 0.127 4.297 4.170 0.001 0.000 0.283 237 I C 0.643 176.597 176.117 -0.271 0.000 1.058 237 I CA -0.214 60.805 61.300 -0.468 0.000 1.202 237 I CB 1.639 39.090 38.000 -0.915 0.000 1.386 237 I HN 0.066 nan 8.210 nan 0.000 0.475 238 T N -0.365 114.088 114.554 -0.169 0.000 3.054 238 T HA 0.173 4.524 4.350 0.001 0.000 0.255 238 T C 0.198 174.914 174.700 0.027 0.000 1.035 238 T CA -0.221 61.855 62.100 -0.041 0.000 0.941 238 T CB -0.044 68.808 68.868 -0.027 0.000 1.026 238 T HN 0.654 nan 8.240 nan 0.000 0.533 239 D N 0.228 120.639 120.400 0.019 0.000 2.615 239 D HA 0.173 4.814 4.640 0.001 0.000 0.267 239 D C 0.840 177.271 176.300 0.218 0.000 1.236 239 D CA -0.080 53.993 54.000 0.121 0.000 0.839 239 D CB 1.475 42.331 40.800 0.094 0.000 1.380 239 D HN 0.071 nan 8.370 nan 0.000 0.433 240 S N -0.287 115.550 115.700 0.229 0.000 2.382 240 S HA -0.258 4.213 4.470 0.001 0.000 0.228 240 S C 1.570 176.270 174.600 0.166 0.000 1.027 240 S CA 1.054 59.393 58.200 0.232 0.000 0.991 240 S CB -0.809 62.436 63.200 0.076 0.000 0.823 240 S HN 0.547 nan 8.310 nan 0.000 0.469 241 H N 1.832 120.964 119.070 0.104 0.000 2.421 241 H HA 0.028 4.584 4.556 0.001 0.000 0.298 241 H C 2.372 177.726 175.328 0.042 0.000 1.087 241 H CA 1.855 57.941 56.048 0.063 0.000 1.330 241 H CB -0.211 29.570 29.762 0.032 0.000 1.388 241 H HN 0.673 nan 8.280 nan 0.000 0.526 242 Q N -1.021 118.851 119.800 0.121 0.000 2.083 242 Q HA -0.164 4.177 4.340 0.001 0.000 0.198 242 Q C 2.277 178.247 176.000 -0.049 0.000 0.969 242 Q CA 0.999 56.781 55.803 -0.035 0.000 0.838 242 Q CB -0.172 28.455 28.738 -0.186 0.000 0.900 242 Q HN 0.478 nan 8.270 nan 0.000 0.436 243 W N 1.671 122.998 121.300 0.045 0.000 2.355 243 W HA -0.166 4.494 4.660 0.001 0.000 0.309 243 W C 2.091 178.636 176.519 0.043 0.000 1.206 243 W CA 0.634 58.005 57.345 0.043 0.000 1.284 243 W CB -0.168 29.311 29.460 0.032 0.000 1.145 243 W HN 0.177 nan 8.180 nan 0.000 0.502 244 N N -0.527 118.338 118.700 0.275 0.000 2.084 244 N HA -0.131 4.610 4.740 0.001 0.000 0.190 244 N C 1.552 177.135 175.510 0.122 0.000 1.030 244 N CA 2.188 55.337 53.050 0.164 0.000 0.849 244 N CB -1.142 37.409 38.487 0.107 0.000 1.012 244 N HN 0.069 nan 8.380 nan 0.000 0.423 245 T N 2.139 116.759 114.554 0.110 0.000 2.746 245 T HA -0.028 4.323 4.350 0.001 0.000 0.267 245 T C 2.186 176.905 174.700 0.031 0.000 1.039 245 T CA 0.716 62.850 62.100 0.056 0.000 1.142 245 T CB -0.230 68.662 68.868 0.040 0.000 0.866 245 T HN 0.124 nan 8.240 nan 0.000 0.444 246 L N 0.364 121.622 121.223 0.057 0.000 2.005 246 L HA -0.022 4.319 4.340 0.001 0.000 0.207 246 L C 2.426 179.363 176.870 0.111 0.000 1.072 246 L CA 0.782 55.667 54.840 0.076 0.000 0.744 246 L CB -0.457 41.662 42.059 0.099 0.000 0.895 246 L HN 0.215 nan 8.230 nan 0.000 0.433 247 L N 0.041 121.364 121.223 0.166 0.000 2.275 247 L HA -0.132 4.209 4.340 0.001 0.000 0.215 247 L C 2.843 179.784 176.870 0.120 0.000 1.119 247 L CA 1.830 56.768 54.840 0.164 0.000 0.790 247 L CB -1.223 40.941 42.059 0.176 0.000 0.919 247 L HN 0.444 nan 8.230 nan 0.000 0.443 248 S N -0.774 114.964 115.700 0.062 0.000 2.419 248 S HA -0.179 4.291 4.470 0.001 0.000 0.235 248 S C 1.928 176.526 174.600 -0.004 0.000 1.019 248 S CA 0.646 58.854 58.200 0.014 0.000 0.982 248 S CB -0.368 62.818 63.200 -0.023 0.000 0.789 248 S HN 0.257 nan 8.310 nan 0.000 0.490 249 L N 1.377 122.585 121.223 -0.026 0.000 2.141 249 L HA 0.084 4.425 4.340 0.001 0.000 0.209 249 L C 2.481 179.402 176.870 0.085 0.000 1.094 249 L CA 1.728 56.524 54.840 -0.074 0.000 0.763 249 L CB -1.411 40.524 42.059 -0.207 0.000 0.908 249 L HN 0.510 nan 8.230 nan 0.000 0.437 250 H N -0.435 118.652 119.070 0.029 0.000 2.333 250 H HA -0.041 4.516 4.556 0.002 0.000 0.302 250 H C 1.979 177.362 175.328 0.092 0.000 1.075 250 H CA 1.688 57.774 56.048 0.063 0.000 1.348 250 H CB 0.165 29.925 29.762 -0.004 0.000 1.393 250 H HN 0.231 nan 8.280 nan 0.000 0.509 251 N N 0.479 119.193 118.700 0.023 0.000 2.289 251 N HA -0.100 4.641 4.740 0.001 0.000 0.184 251 N C 1.866 177.445 175.510 0.114 0.000 1.016 251 N CA 1.045 54.090 53.050 -0.008 0.000 0.872 251 N CB -0.437 38.049 38.487 -0.002 0.000 0.973 251 N HN 0.514 nan 8.380 nan 0.000 0.433 252 A N 1.057 123.962 122.820 0.141 0.000 1.898 252 A HA -0.182 4.139 4.320 0.001 0.000 0.216 252 A C 2.202 180.028 177.584 0.404 0.000 1.181 252 A CA 1.407 53.617 52.037 0.288 0.000 0.620 252 A CB -0.588 18.544 19.000 0.221 0.000 0.819 252 A HN 0.383 nan 8.150 nan 0.000 0.442 253 Q N -1.770 118.199 119.800 0.281 0.000 2.119 253 Q HA -0.137 4.204 4.340 0.001 0.000 0.201 253 Q C 1.626 177.709 176.000 0.138 0.000 0.972 253 Q CA 1.471 57.394 55.803 0.200 0.000 0.847 253 Q CB -0.230 28.610 28.738 0.169 0.000 0.903 253 Q HN 0.545 nan 8.270 nan 0.000 0.433 254 F N -0.320 119.594 119.950 -0.059 0.000 2.234 254 F HA -0.145 4.383 4.527 0.001 0.000 0.299 254 F C 2.069 177.860 175.800 -0.015 0.000 1.087 254 F CA 1.058 59.014 58.000 -0.074 0.000 1.340 254 F CB -0.648 38.273 39.000 -0.132 0.000 1.031 254 F HN 0.249 nan 8.300 nan 0.000 0.500 255 Y N -0.188 120.173 120.300 0.102 0.000 2.181 255 Y HA -0.221 4.330 4.550 0.000 0.000 0.288 255 Y C 2.037 177.925 175.900 -0.020 0.000 1.146 255 Y CA 1.489 59.612 58.100 0.039 0.000 1.164 255 Y CB -0.462 38.051 38.460 0.089 0.000 0.982 255 Y HN -0.024 nan 8.280 nan 0.000 0.515 256 L N -0.247 120.927 121.223 -0.082 0.000 2.068 256 L HA -0.102 4.238 4.340 0.001 0.000 0.204 256 L C 2.149 178.868 176.870 -0.252 0.000 1.076 256 L CA 1.663 56.343 54.840 -0.267 0.000 0.753 256 L CB -0.822 41.073 42.059 -0.275 0.000 0.910 256 L HN 0.317 nan 8.230 nan 0.000 0.439 257 L N -1.954 119.145 121.223 -0.207 0.000 2.416 257 L HA 0.031 4.371 4.340 0.001 0.000 0.216 257 L C 1.972 178.702 176.870 -0.233 0.000 1.098 257 L CA 0.216 54.924 54.840 -0.220 0.000 0.840 257 L CB -0.197 41.723 42.059 -0.232 0.000 0.981 257 L HN 0.245 nan 8.230 nan 0.000 0.462 258 Q N -0.503 119.150 119.800 -0.244 0.000 2.391 258 Q HA 0.143 4.484 4.340 0.001 0.000 0.243 258 Q C 1.985 177.919 176.000 -0.109 0.000 0.874 258 Q CA 0.404 56.089 55.803 -0.196 0.000 0.950 258 Q CB 0.645 29.218 28.738 -0.275 0.000 1.103 258 Q HN 0.390 nan 8.270 nan 0.000 0.544 259 R N 0.349 120.773 120.500 -0.126 0.000 2.223 259 R HA 0.143 4.484 4.340 0.001 0.000 0.198 259 R C 0.240 176.437 176.300 -0.173 0.000 0.984 259 R CA 0.256 56.281 56.100 -0.124 0.000 1.018 259 R CB 0.207 30.431 30.300 -0.127 0.000 0.945 259 R HN 0.016 nan 8.270 nan 0.000 0.479 260 T N 3.302 117.715 114.554 -0.235 0.000 2.822 260 T HA -0.007 4.343 4.350 0.001 0.000 0.288 260 T C -1.873 172.747 174.700 -0.133 0.000 0.991 260 T CA -0.792 61.178 62.100 -0.217 0.000 1.176 260 T CB 1.048 69.783 68.868 -0.222 0.000 0.951 260 T HN 0.013 nan 8.240 nan 0.000 0.526 261 P HA -0.120 nan 4.420 nan 0.000 0.216 261 P C 1.253 178.515 177.300 -0.063 0.000 1.153 261 P CA 0.939 63.998 63.100 -0.068 0.000 0.858 261 P CB 0.174 31.841 31.700 -0.054 0.000 0.789 262 E N -1.358 118.800 120.200 -0.070 0.000 2.333 262 E HA -0.087 4.264 4.350 0.001 0.000 0.198 262 E C 1.669 178.231 176.600 -0.064 0.000 1.007 262 E CA 0.718 57.081 56.400 -0.062 0.000 0.845 262 E CB -0.557 29.105 29.700 -0.064 0.000 0.766 262 E HN 0.145 nan 8.360 nan 0.000 0.507 263 V N -0.647 119.222 119.914 -0.075 0.000 2.743 263 V HA 0.119 4.240 4.120 0.001 0.000 0.237 263 V C 1.993 178.050 176.094 -0.061 0.000 1.113 263 V CA 0.931 63.186 62.300 -0.074 0.000 1.141 263 V CB -0.434 31.330 31.823 -0.097 0.000 0.873 263 V HN 0.274 nan 8.190 nan 0.000 0.486 264 A N 0.586 123.369 122.820 -0.062 0.000 1.892 264 A HA -0.261 4.060 4.320 0.001 0.000 0.218 264 A C 2.298 179.867 177.584 -0.024 0.000 1.188 264 A CA 2.119 54.133 52.037 -0.037 0.000 0.631 264 A CB -0.575 18.405 19.000 -0.033 0.000 0.822 264 A HN 0.461 nan 8.150 nan 0.000 0.447 265 R N -0.440 120.042 120.500 -0.030 0.000 2.083 265 R HA -0.112 4.229 4.340 0.001 0.000 0.237 265 R C 2.544 178.825 176.300 -0.032 0.000 1.137 265 R CA 1.738 57.821 56.100 -0.028 0.000 0.951 265 R CB -0.516 29.765 30.300 -0.033 0.000 0.851 265 R HN 0.544 nan 8.270 nan 0.000 0.434 266 S N 0.259 115.938 115.700 -0.034 0.000 2.371 266 S HA -0.083 4.388 4.470 0.001 0.000 0.224 266 S C 1.860 176.443 174.600 -0.029 0.000 1.029 266 S CA 0.843 59.023 58.200 -0.033 0.000 0.978 266 S CB -0.120 63.060 63.200 -0.034 0.000 0.833 266 S HN 0.287 nan 8.310 nan 0.000 0.466 267 R N 0.881 121.366 120.500 -0.026 0.000 2.115 267 R HA 0.044 4.385 4.340 0.001 0.000 0.230 267 R C 1.704 177.999 176.300 -0.009 0.000 1.111 267 R CA 1.141 57.232 56.100 -0.016 0.000 0.976 267 R CB -0.168 30.122 30.300 -0.017 0.000 0.870 267 R HN 0.364 nan 8.270 nan 0.000 0.445 268 A N -1.076 121.737 122.820 -0.011 0.000 2.348 268 A HA 0.113 4.434 4.320 0.001 0.000 0.224 268 A C 1.552 179.112 177.584 -0.040 0.000 1.227 268 A CA 0.117 52.147 52.037 -0.012 0.000 0.885 268 A CB 0.106 19.117 19.000 0.019 0.000 0.933 268 A HN 0.227 nan 8.150 nan 0.000 0.506 269 T N 1.703 116.230 114.554 -0.045 0.000 2.684 269 T HA -0.095 4.256 4.350 0.001 0.000 0.267 269 T C -0.332 174.324 174.700 -0.073 0.000 1.036 269 T CA 2.150 64.215 62.100 -0.058 0.000 1.148 269 T CB -0.875 67.962 68.868 -0.051 0.000 0.863 269 T HN 0.365 nan 8.240 nan 0.000 0.436 270 P HA 0.036 nan 4.420 nan 0.000 0.217 270 P C 1.464 178.690 177.300 -0.123 0.000 1.150 270 P CA 0.824 63.871 63.100 -0.089 0.000 0.832 270 P CB -0.127 31.521 31.700 -0.086 0.000 0.787 271 L N -1.707 119.430 121.223 -0.144 0.000 2.109 271 L HA -0.117 4.224 4.340 0.001 0.000 0.207 271 L C 2.362 179.144 176.870 -0.147 0.000 1.086 271 L CA 1.043 55.781 54.840 -0.170 0.000 0.760 271 L CB -0.756 41.210 42.059 -0.154 0.000 0.910 271 L HN -0.037 nan 8.230 nan 0.000 0.437 272 L N -0.525 120.625 121.223 -0.120 0.000 2.046 272 L HA -0.235 4.106 4.340 0.001 0.000 0.208 272 L C 2.201 178.983 176.870 -0.146 0.000 1.077 272 L CA 1.077 55.833 54.840 -0.139 0.000 0.747 272 L CB -0.563 41.427 42.059 -0.116 0.000 0.896 272 L HN 0.292 nan 8.230 nan 0.000 0.432 273 D N -0.037 120.292 120.400 -0.119 0.000 2.097 273 D HA -0.191 4.449 4.640 0.001 0.000 0.195 273 D C 2.239 178.482 176.300 -0.095 0.000 0.989 273 D CA 1.025 54.963 54.000 -0.103 0.000 0.827 273 D CB -0.160 40.592 40.800 -0.081 0.000 0.966 273 D HN 0.222 nan 8.370 nan 0.000 0.456 274 L N 0.589 121.753 121.223 -0.098 0.000 2.017 274 L HA -0.144 4.196 4.340 0.001 0.000 0.208 274 L C 2.361 179.170 176.870 -0.101 0.000 1.073 274 L CA 1.002 55.791 54.840 -0.085 0.000 0.745 274 L CB -0.185 41.810 42.059 -0.106 0.000 0.894 274 L HN 0.010 nan 8.230 nan 0.000 0.432 275 I N -0.164 120.311 120.570 -0.158 0.000 2.226 275 I HA -0.361 3.810 4.170 0.001 0.000 0.245 275 I C 2.641 178.698 176.117 -0.100 0.000 1.100 275 I CA 1.386 62.558 61.300 -0.214 0.000 1.374 275 I CB -0.349 37.382 38.000 -0.448 0.000 1.057 275 I HN 0.283 nan 8.210 nan 0.000 0.413 276 K N 0.258 120.613 120.400 -0.076 0.000 2.026 276 K HA -0.218 4.102 4.320 0.001 0.000 0.208 276 K C 2.260 178.856 176.600 -0.007 0.000 1.048 276 K CA 2.026 58.309 56.287 -0.008 0.000 0.929 276 K CB -0.191 32.245 32.500 -0.107 0.000 0.713 276 K HN 0.158 nan 8.250 nan 0.000 0.439 277 T N -0.246 114.283 114.554 -0.040 0.000 2.867 277 T HA -0.027 4.324 4.350 0.001 0.000 0.268 277 T C 1.642 176.398 174.700 0.093 0.000 1.057 277 T CA 1.229 63.309 62.100 -0.033 0.000 1.136 277 T CB -0.180 68.665 68.868 -0.038 0.000 0.874 277 T HN 0.391 nan 8.240 nan 0.000 0.466 278 A N 0.453 123.306 122.820 0.054 0.000 2.015 278 A HA 0.203 4.523 4.320 0.001 0.000 0.219 278 A C 2.087 179.707 177.584 0.060 0.000 1.163 278 A CA 0.933 53.005 52.037 0.059 0.000 0.646 278 A CB -0.438 18.563 19.000 0.002 0.000 0.806 278 A HN 0.581 nan 8.150 nan 0.000 0.448 279 L N -0.579 120.678 121.223 0.056 0.000 2.585 279 L HA 0.075 4.416 4.340 0.001 0.000 0.226 279 L C 0.087 177.004 176.870 0.079 0.000 1.113 279 L CA 0.068 54.941 54.840 0.055 0.000 0.876 279 L CB 0.109 42.198 42.059 0.049 0.000 1.072 279 L HN 0.101 nan 8.230 nan 0.000 0.468 280 T N 1.800 116.413 114.554 0.099 0.000 2.728 280 T HA 0.261 4.612 4.350 0.001 0.000 0.296 280 T C -2.377 172.452 174.700 0.214 0.000 0.940 280 T CA -1.248 60.905 62.100 0.089 0.000 1.013 280 T CB 1.156 70.011 68.868 -0.022 0.000 0.912 280 T HN -0.179 nan 8.240 nan 0.000 0.484 281 P HA 0.119 nan 4.420 nan 0.000 0.264 281 P C -0.330 177.119 177.300 0.248 0.000 1.193 281 P CA 0.265 63.452 63.100 0.146 0.000 0.763 281 P CB 0.280 32.018 31.700 0.063 0.000 0.810 282 H N 1.668 120.732 119.070 -0.011 0.000 2.935 282 H HA 0.274 4.831 4.556 0.002 0.000 0.297 282 H C -3.236 172.086 175.328 -0.010 0.000 1.423 282 H CA -2.242 53.800 56.048 -0.011 0.000 1.161 282 H CB -0.051 29.704 29.762 -0.012 0.000 1.841 282 H HN 0.115 nan 8.280 nan 0.000 0.506 283 P HA 0.135 nan 4.420 nan 0.000 0.260 283 P C -2.572 174.610 177.300 -0.197 0.000 1.207 283 P CA -0.699 62.347 63.100 -0.091 0.000 0.780 283 P CB -0.444 31.250 31.700 -0.011 0.000 0.789 284 P HA -0.003 nan 4.420 nan 0.000 0.265 284 P C -0.397 176.838 177.300 -0.108 0.000 1.187 284 P CA 0.692 63.679 63.100 -0.187 0.000 0.766 284 P CB 0.275 31.901 31.700 -0.123 0.000 0.820 285 Q N 0.393 120.140 119.800 -0.088 0.000 2.386 285 Q HA 0.369 4.710 4.340 0.001 0.000 0.274 285 Q C -1.142 174.842 176.000 -0.028 0.000 1.011 285 Q CA -1.274 54.505 55.803 -0.040 0.000 0.867 285 Q CB 1.495 30.224 28.738 -0.014 0.000 1.409 285 Q HN 0.139 nan 8.270 nan 0.000 0.395 286 K N 1.933 122.320 120.400 -0.022 0.000 2.401 286 K HA 0.059 4.380 4.320 0.001 0.000 0.278 286 K C -0.250 176.343 176.600 -0.013 0.000 1.018 286 K CA 0.655 56.930 56.287 -0.021 0.000 0.981 286 K CB 0.611 33.100 32.500 -0.018 0.000 0.933 286 K HN 0.856 nan 8.250 nan 0.000 0.477 287 Q N 2.644 122.437 119.800 -0.012 0.000 2.555 287 Q HA 0.350 4.690 4.340 0.001 0.000 0.409 287 Q C -0.746 175.250 176.000 -0.007 0.000 0.669 287 Q CA -0.830 54.971 55.803 -0.004 0.000 0.911 287 Q CB 0.076 28.823 28.738 0.015 0.000 1.845 287 Q HN 0.502 nan 8.270 nan 0.000 0.292 288 A N 0.207 123.037 122.820 0.016 0.000 2.565 288 A HA 0.245 4.566 4.320 0.001 0.000 0.237 288 A C -0.750 176.909 177.584 0.124 0.000 1.053 288 A CA 0.741 52.781 52.037 0.004 0.000 0.755 288 A CB -1.065 17.992 19.000 0.095 0.000 0.980 288 A HN 0.730 nan 8.150 nan 0.000 0.506 289 Y N 0.037 120.320 120.300 -0.028 0.000 4.851 289 Y HA -0.282 4.269 4.550 0.001 0.000 0.235 289 Y C 1.687 177.523 175.900 -0.106 0.000 0.998 289 Y CA 1.567 59.652 58.100 -0.025 0.000 1.980 289 Y CB -1.691 36.763 38.460 -0.009 0.000 1.561 289 Y HN 2.216 nan 8.280 nan 0.000 0.585 290 G N -1.040 107.754 108.800 -0.010 0.000 2.153 290 G HA2 -0.223 3.738 3.960 0.001 0.000 0.252 290 G HA3 -0.223 3.738 3.960 0.001 0.000 0.252 290 G C -0.051 174.755 174.900 -0.157 0.000 0.994 290 G CA 0.056 45.126 45.100 -0.051 0.000 0.698 290 G HN 0.588 nan 8.290 nan 0.000 0.521 291 V N 0.712 120.523 119.914 -0.172 0.000 2.567 291 V HA 0.606 4.727 4.120 0.001 0.000 0.289 291 V C 0.820 176.866 176.094 -0.080 0.000 1.049 291 V CA 0.028 62.206 62.300 -0.204 0.000 0.969 291 V CB 1.783 33.492 31.823 -0.189 0.000 0.995 291 V HN 0.268 nan 8.190 nan 0.000 0.471 292 T N 6.693 121.208 114.554 -0.065 0.000 2.744 292 T HA 0.656 5.007 4.350 0.001 0.000 0.291 292 T C -0.404 174.268 174.700 -0.046 0.000 0.957 292 T CA -0.097 61.976 62.100 -0.045 0.000 1.002 292 T CB 0.263 69.107 68.868 -0.039 0.000 0.919 292 T HN 0.344 nan 8.240 nan 0.000 0.468 293 L N 5.020 126.212 121.223 -0.051 0.000 2.371 293 L HA 0.542 4.883 4.340 0.001 0.000 0.262 293 L C -2.439 174.313 176.870 -0.196 0.000 1.006 293 L CA -2.782 52.020 54.840 -0.062 0.000 0.818 293 L CB 2.509 44.573 42.059 0.008 0.000 1.354 293 L HN 0.356 nan 8.230 nan 0.000 0.415 294 P HA 0.325 nan 4.420 nan 0.000 0.274 294 P C -0.731 176.518 177.300 -0.086 0.000 1.256 294 P CA -0.206 62.822 63.100 -0.121 0.000 0.795 294 P CB 1.132 32.764 31.700 -0.115 0.000 1.038 295 T N -1.849 112.679 114.554 -0.043 0.000 2.665 295 T HA 0.286 4.637 4.350 0.001 0.000 0.303 295 T C 1.033 175.719 174.700 -0.023 0.000 1.334 295 T CA -0.221 61.860 62.100 -0.032 0.000 1.011 295 T CB 0.187 69.045 68.868 -0.016 0.000 1.573 295 T HN 0.095 nan 8.240 nan 0.000 0.492 296 S N -0.420 115.269 115.700 -0.018 0.000 2.345 296 S HA 0.203 4.673 4.470 0.001 0.000 0.219 296 S C 0.340 174.935 174.600 -0.008 0.000 1.031 296 S CA 0.691 58.876 58.200 -0.025 0.000 0.984 296 S CB 0.056 63.240 63.200 -0.027 0.000 0.874 296 S HN 0.544 nan 8.310 nan 0.000 0.451 297 V N 1.985 121.913 119.914 0.024 0.000 2.638 297 V HA 0.606 4.727 4.120 0.001 0.000 0.306 297 V C -1.210 174.934 176.094 0.084 0.000 1.052 297 V CA -0.809 61.528 62.300 0.062 0.000 0.885 297 V CB 1.804 33.687 31.823 0.100 0.000 0.999 297 V HN 0.252 nan 8.190 nan 0.000 0.424 298 L N 4.931 126.203 121.223 0.082 0.000 2.376 298 L HA 0.703 5.043 4.340 0.001 0.000 0.275 298 L C -1.431 175.488 176.870 0.081 0.000 0.987 298 L CA -0.286 54.597 54.840 0.071 0.000 0.828 298 L CB 1.468 43.536 42.059 0.015 0.000 1.249 298 L HN 0.592 nan 8.230 nan 0.000 0.409 299 F N 6.256 126.163 119.950 -0.072 0.000 2.426 299 F HA 0.688 5.216 4.527 0.002 0.000 0.348 299 F C -0.834 174.883 175.800 -0.138 0.000 1.124 299 F CA -0.569 57.315 58.000 -0.193 0.000 1.008 299 F CB 1.067 39.844 39.000 -0.372 0.000 1.139 299 F HN 0.361 nan 8.300 nan 0.000 0.452 300 I N 6.392 126.589 120.570 -0.621 0.000 2.382 300 I HA 0.414 4.585 4.170 0.001 0.000 0.286 300 I C -0.307 175.529 176.117 -0.469 0.000 1.002 300 I CA -0.857 60.231 61.300 -0.353 0.000 1.135 300 I CB 1.662 39.533 38.000 -0.216 0.000 1.288 300 I HN 0.737 nan 8.210 nan 0.000 0.448 301 A N 5.521 128.208 122.820 -0.222 0.000 2.415 301 A HA 0.712 5.033 4.320 0.001 0.000 0.309 301 A C 0.455 177.911 177.584 -0.212 0.000 1.356 301 A CA -0.079 51.842 52.037 -0.193 0.000 0.998 301 A CB -0.068 18.918 19.000 -0.024 0.000 1.145 301 A HN 0.871 nan 8.150 nan 0.000 0.545 302 G N 1.062 109.760 108.800 -0.170 0.000 3.175 302 G HA2 0.622 4.583 3.960 0.001 0.000 0.153 302 G HA3 0.622 4.583 3.960 0.001 0.000 0.153 302 G C -0.334 174.275 174.900 -0.485 0.000 1.216 302 G CA -0.356 44.615 45.100 -0.216 0.000 0.943 302 G HN 0.722 nan 8.290 nan 0.000 0.611 303 H N -0.750 118.396 119.070 0.126 0.000 2.908 303 H HA 0.231 4.787 4.556 0.001 0.000 0.350 303 H C 0.486 175.918 175.328 0.174 0.000 1.217 303 H CA 0.095 56.212 56.048 0.115 0.000 1.168 303 H CB 2.066 31.893 29.762 0.107 0.000 1.891 303 H HN 0.567 nan 8.280 nan 0.000 0.566 304 D N -0.484 120.126 120.400 0.351 0.000 2.144 304 D HA -0.176 4.465 4.640 0.001 0.000 0.199 304 D C 1.645 178.243 176.300 0.496 0.000 0.984 304 D CA 1.939 56.151 54.000 0.354 0.000 0.834 304 D CB -0.871 40.097 40.800 0.279 0.000 0.955 304 D HN 0.609 nan 8.370 nan 0.000 0.465 305 T N -1.739 113.101 114.554 0.478 0.000 2.833 305 T HA -0.174 4.176 4.350 0.001 0.000 0.269 305 T C 1.686 176.524 174.700 0.229 0.000 1.054 305 T CA 1.457 63.724 62.100 0.279 0.000 1.135 305 T CB -0.875 68.024 68.868 0.052 0.000 0.869 305 T HN 0.247 nan 8.240 nan 0.000 0.466 306 N N 1.297 120.155 118.700 0.264 0.000 2.084 306 N HA 0.076 4.817 4.740 0.001 0.000 0.190 306 N C 1.889 177.533 175.510 0.224 0.000 1.030 306 N CA 1.228 54.412 53.050 0.224 0.000 0.849 306 N CB -0.410 38.232 38.487 0.260 0.000 1.012 306 N HN 0.289 nan 8.380 nan 0.000 0.423 307 L N 0.578 121.958 121.223 0.262 0.000 2.046 307 L HA -0.130 4.211 4.340 0.001 0.000 0.208 307 L C 2.547 179.642 176.870 0.375 0.000 1.077 307 L CA 1.028 56.054 54.840 0.309 0.000 0.747 307 L CB -0.613 41.633 42.059 0.311 0.000 0.896 307 L HN 0.245 nan 8.230 nan 0.000 0.432 308 A N 0.424 123.444 122.820 0.333 0.000 1.898 308 A HA -0.213 4.108 4.320 0.001 0.000 0.216 308 A C 1.988 179.664 177.584 0.152 0.000 1.181 308 A CA 2.006 54.193 52.037 0.250 0.000 0.620 308 A CB -0.811 18.399 19.000 0.350 0.000 0.819 308 A HN 0.529 nan 8.150 nan 0.000 0.442 309 N N -0.174 118.608 118.700 0.136 0.000 2.120 309 N HA -0.091 4.650 4.740 0.001 0.000 0.188 309 N C 1.591 177.165 175.510 0.106 0.000 1.024 309 N CA 1.276 54.373 53.050 0.078 0.000 0.852 309 N CB -0.279 38.244 38.487 0.060 0.000 1.003 309 N HN 0.417 nan 8.380 nan 0.000 0.424 310 L N 0.352 121.678 121.223 0.171 0.000 2.093 310 L HA -0.049 4.292 4.340 0.001 0.000 0.208 310 L C 2.590 179.613 176.870 0.255 0.000 1.085 310 L CA 0.967 55.935 54.840 0.214 0.000 0.755 310 L CB -0.635 41.593 42.059 0.281 0.000 0.904 310 L HN 0.268 nan 8.230 nan 0.000 0.435 311 G N -0.439 108.537 108.800 0.293 0.000 2.418 311 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 311 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 311 G C 1.586 176.548 174.900 0.103 0.000 1.158 311 G CA 0.718 45.973 45.100 0.257 0.000 0.771 311 G HN 0.477 nan 8.290 nan 0.000 0.545 312 G N 0.953 109.782 108.800 0.048 0.000 2.402 312 G HA2 0.100 4.061 3.960 0.001 0.000 0.216 312 G HA3 0.100 4.061 3.960 0.001 0.000 0.216 312 G C 2.036 176.950 174.900 0.024 0.000 1.162 312 G CA 1.442 46.546 45.100 0.005 0.000 0.777 312 G HN 0.620 nan 8.290 nan 0.000 0.539 313 A N 0.197 123.043 122.820 0.044 0.000 1.930 313 A HA 0.154 4.475 4.320 0.001 0.000 0.217 313 A C 2.041 179.657 177.584 0.053 0.000 1.175 313 A CA 1.073 53.130 52.037 0.034 0.000 0.627 313 A CB -0.203 18.815 19.000 0.030 0.000 0.815 313 A HN 0.290 nan 8.150 nan 0.000 0.443 314 L N -0.324 120.963 121.223 0.107 0.000 2.592 314 L HA 0.165 4.506 4.340 0.001 0.000 0.227 314 L C 0.250 177.201 176.870 0.135 0.000 1.127 314 L CA 0.599 55.523 54.840 0.140 0.000 0.884 314 L CB -1.281 40.925 42.059 0.246 0.000 1.065 314 L HN 0.525 nan 8.230 nan 0.000 0.457 315 E N 0.229 120.490 120.200 0.103 0.000 2.320 315 E HA -0.233 4.118 4.350 0.001 0.000 0.234 315 E C -0.384 176.289 176.600 0.122 0.000 1.183 315 E CA 0.162 56.613 56.400 0.085 0.000 0.713 315 E CB -1.658 28.084 29.700 0.069 0.000 1.226 315 E HN 0.320 nan 8.360 nan 0.000 0.382 316 L N 1.259 122.581 121.223 0.166 0.000 2.280 316 L HA 0.408 4.749 4.340 0.001 0.000 0.287 316 L C 0.427 177.401 176.870 0.174 0.000 1.023 316 L CA -0.532 54.464 54.840 0.260 0.000 0.819 316 L CB 1.003 43.316 42.059 0.422 0.000 1.212 316 L HN 0.079 nan 8.230 nan 0.000 0.420 317 N N 3.180 121.963 118.700 0.138 0.000 2.319 317 N HA 0.610 5.350 4.740 0.001 0.000 0.305 317 N C -1.389 174.202 175.510 0.136 0.000 1.103 317 N CA -0.373 52.642 53.050 -0.057 0.000 0.815 317 N CB 2.792 41.259 38.487 -0.033 0.000 1.288 317 N HN 0.537 nan 8.380 nan 0.000 0.493 318 W N -0.235 121.068 121.300 0.005 0.000 3.059 318 W HA 0.532 5.194 4.660 0.002 0.000 0.329 318 W C -1.466 175.022 176.519 -0.052 0.000 1.246 318 W CA -0.777 56.553 57.345 -0.025 0.000 1.190 318 W CB 0.716 30.152 29.460 -0.040 0.000 1.423 318 W HN 0.282 nan 8.180 nan 0.000 0.571 319 T N 1.720 116.409 114.554 0.225 0.000 2.933 319 T HA 0.667 5.018 4.350 0.001 0.000 0.305 319 T C -1.705 173.021 174.700 0.042 0.000 1.092 319 T CA -0.724 61.428 62.100 0.087 0.000 1.008 319 T CB 0.741 69.623 68.868 0.023 0.000 1.102 319 T HN 0.619 nan 8.240 nan 0.000 0.469 320 L N 6.322 127.478 121.223 -0.111 0.000 2.301 320 L HA 0.441 4.782 4.340 0.001 0.000 0.278 320 L C -2.095 174.703 176.870 -0.121 0.000 1.022 320 L CA -2.169 52.431 54.840 -0.400 0.000 0.854 320 L CB 1.416 42.728 42.059 -1.246 0.000 1.226 320 L HN 0.469 nan 8.230 nan 0.000 0.429 321 P HA -0.019 nan 4.420 nan 0.000 0.260 321 P C 0.937 178.344 177.300 0.178 0.000 1.185 321 P CA 1.037 64.205 63.100 0.113 0.000 0.763 321 P CB 1.113 32.884 31.700 0.118 0.000 0.776 322 G N 2.158 111.016 108.800 0.096 0.000 2.213 322 G HA2 -0.224 3.737 3.960 0.001 0.000 0.236 322 G HA3 -0.224 3.737 3.960 0.001 0.000 0.236 322 G C 0.090 175.039 174.900 0.081 0.000 0.991 322 G CA 0.097 45.250 45.100 0.088 0.000 0.629 322 G HN 0.717 nan 8.290 nan 0.000 0.517 323 Q N 0.847 120.693 119.800 0.077 0.000 2.394 323 Q HA 0.571 4.912 4.340 0.001 0.000 0.261 323 Q C -1.176 174.805 176.000 -0.031 0.000 1.023 323 Q CA -1.988 53.825 55.803 0.018 0.000 0.720 323 Q CB 2.168 30.922 28.738 0.027 0.000 1.241 323 Q HN 0.200 nan 8.270 nan 0.000 0.483 324 P HA -0.083 nan 4.420 nan 0.000 0.222 324 P C -0.254 177.066 177.300 0.033 0.000 1.147 324 P CA 0.605 63.727 63.100 0.036 0.000 0.790 324 P CB 0.441 32.208 31.700 0.111 0.000 0.780 325 D N 0.284 120.691 120.400 0.011 0.000 2.313 325 D HA 0.054 4.695 4.640 0.001 0.000 0.239 325 D C 1.003 177.307 176.300 0.007 0.000 1.142 325 D CA -0.382 53.632 54.000 0.023 0.000 0.847 325 D CB 0.264 41.060 40.800 -0.006 0.000 1.082 325 D HN -0.241 nan 8.370 nan 0.000 0.480 326 N N 1.682 120.394 118.700 0.020 0.000 2.272 326 N HA -0.108 4.632 4.740 0.001 0.000 0.185 326 N C 0.472 176.129 175.510 0.246 0.000 1.014 326 N CA 0.999 54.101 53.050 0.086 0.000 0.870 326 N CB 0.085 38.552 38.487 -0.034 0.000 0.975 326 N HN 0.530 nan 8.380 nan 0.000 0.433 327 T N -1.095 113.528 114.554 0.115 0.000 3.504 327 T HA 0.284 4.635 4.350 0.001 0.000 0.286 327 T C -2.875 171.866 174.700 0.068 0.000 1.530 327 T CA -1.747 60.440 62.100 0.146 0.000 1.652 327 T CB 1.846 70.798 68.868 0.141 0.000 0.895 327 T HN -0.056 nan 8.240 nan 0.000 0.674 328 P HA 0.261 nan 4.420 nan 0.000 0.272 328 P C -2.609 174.732 177.300 0.068 0.000 1.230 328 P CA -1.398 61.731 63.100 0.048 0.000 0.788 328 P CB 0.014 31.750 31.700 0.059 0.000 0.949 329 P HA -0.040 nan 4.420 nan 0.000 0.264 329 P C 1.085 178.440 177.300 0.091 0.000 1.193 329 P CA 1.253 64.393 63.100 0.067 0.000 0.763 329 P CB -0.269 31.463 31.700 0.054 0.000 0.810 330 G N 2.156 111.014 108.800 0.097 0.000 2.234 330 G HA2 -0.218 3.743 3.960 0.001 0.000 0.260 330 G HA3 -0.218 3.743 3.960 0.001 0.000 0.260 330 G C 0.633 175.611 174.900 0.130 0.000 0.987 330 G CA 0.010 45.188 45.100 0.129 0.000 0.625 330 G HN 0.900 nan 8.290 nan 0.000 0.532 331 G N 0.148 109.015 108.800 0.112 0.000 2.391 331 G HA2 0.418 4.379 3.960 0.001 0.000 0.234 331 G HA3 0.418 4.379 3.960 0.001 0.000 0.234 331 G C -0.116 174.814 174.900 0.051 0.000 1.284 331 G CA 0.442 45.604 45.100 0.105 0.000 0.873 331 G HN 0.577 nan 8.290 nan 0.000 0.549 332 E N 1.113 121.329 120.200 0.026 0.000 2.224 332 E HA 0.240 4.591 4.350 0.001 0.000 0.265 332 E C -0.684 175.845 176.600 -0.119 0.000 0.878 332 E CA -0.675 55.708 56.400 -0.029 0.000 0.759 332 E CB 2.482 32.205 29.700 0.039 0.000 1.164 332 E HN 0.296 nan 8.360 nan 0.000 0.414 333 L N 4.343 125.477 121.223 -0.148 0.000 2.268 333 L HA 0.303 4.643 4.340 0.001 0.000 0.289 333 L C -0.993 175.733 176.870 -0.241 0.000 1.064 333 L CA -0.658 54.020 54.840 -0.269 0.000 0.824 333 L CB 0.675 42.646 42.059 -0.147 0.000 1.202 333 L HN 0.336 nan 8.230 nan 0.000 0.433 334 V N 5.446 125.182 119.914 -0.297 0.000 2.370 334 V HA 0.335 4.456 4.120 0.001 0.000 0.279 334 V C -0.296 175.625 176.094 -0.290 0.000 1.029 334 V CA -0.335 61.867 62.300 -0.164 0.000 0.870 334 V CB 1.255 33.051 31.823 -0.044 0.000 0.984 334 V HN 0.404 nan 8.190 nan 0.000 0.451 335 F N 2.952 122.889 119.950 -0.022 0.000 2.444 335 F HA 0.587 5.115 4.527 0.001 0.000 0.342 335 F C 0.539 176.313 175.800 -0.043 0.000 1.121 335 F CA -0.444 57.527 58.000 -0.049 0.000 0.997 335 F CB 1.550 40.512 39.000 -0.063 0.000 1.130 335 F HN 0.463 nan 8.300 nan 0.000 0.454 336 E N 2.536 122.817 120.200 0.134 0.000 2.272 336 E HA 0.405 4.756 4.350 0.001 0.000 0.269 336 E C -0.887 175.761 176.600 0.080 0.000 0.877 336 E CA -1.172 55.267 56.400 0.066 0.000 0.755 336 E CB 2.754 32.520 29.700 0.110 0.000 1.192 336 E HN 0.407 nan 8.360 nan 0.000 0.422 337 R N 2.645 123.120 120.500 -0.043 0.000 2.255 337 R HA 0.314 4.655 4.340 0.001 0.000 0.326 337 R C -1.482 174.805 176.300 -0.022 0.000 0.986 337 R CA -0.498 55.621 56.100 0.032 0.000 0.847 337 R CB 0.698 30.996 30.300 -0.002 0.000 1.111 337 R HN 0.489 nan 8.270 nan 0.000 0.452 338 W N 3.375 124.738 121.300 0.105 0.000 2.632 338 W HA 0.438 5.098 4.660 0.001 0.000 0.328 338 W C 0.306 176.942 176.519 0.195 0.000 1.044 338 W CA -0.634 56.785 57.345 0.125 0.000 1.225 338 W CB 1.152 30.681 29.460 0.116 0.000 1.396 338 W HN 0.151 nan 8.180 nan 0.000 0.499 339 R N 3.349 124.064 120.500 0.359 0.000 2.338 339 R HA 0.390 4.730 4.340 0.001 0.000 0.317 339 R C -0.261 176.229 176.300 0.317 0.000 0.968 339 R CA -1.000 55.278 56.100 0.297 0.000 0.849 339 R CB 1.071 31.466 30.300 0.160 0.000 1.128 339 R HN 0.641 nan 8.270 nan 0.000 0.448 340 R N 5.019 125.744 120.500 0.376 0.000 2.296 340 R HA 0.087 4.428 4.340 0.001 0.000 0.323 340 R C 1.247 177.653 176.300 0.176 0.000 1.067 340 R CA -0.104 56.150 56.100 0.256 0.000 0.946 340 R CB 0.463 30.941 30.300 0.296 0.000 0.991 340 R HN 0.714 nan 8.270 nan 0.000 0.448 341 L N 2.753 124.051 121.223 0.125 0.000 2.043 341 L HA -0.286 4.055 4.340 0.001 0.000 0.212 341 L C 2.453 179.370 176.870 0.078 0.000 1.075 341 L CA 1.734 56.629 54.840 0.091 0.000 0.752 341 L CB -0.760 41.342 42.059 0.070 0.000 0.891 341 L HN 0.775 nan 8.230 nan 0.000 0.432 342 S N 1.063 116.807 115.700 0.073 0.000 2.377 342 S HA -0.256 4.215 4.470 0.001 0.000 0.224 342 S C 1.328 175.971 174.600 0.072 0.000 1.042 342 S CA 1.817 60.054 58.200 0.062 0.000 1.086 342 S CB -0.580 62.652 63.200 0.053 0.000 0.995 342 S HN 0.686 nan 8.310 nan 0.000 0.428 343 D N -0.171 120.289 120.400 0.100 0.000 2.513 343 D HA 0.187 4.828 4.640 0.001 0.000 0.222 343 D C -0.105 176.254 176.300 0.098 0.000 1.210 343 D CA -0.326 53.730 54.000 0.093 0.000 0.825 343 D CB -1.675 39.186 40.800 0.102 0.000 1.037 343 D HN 0.626 nan 8.370 nan 0.000 0.506 344 N N 0.282 119.049 118.700 0.111 0.000 2.735 344 N HA -0.178 4.563 4.740 0.001 0.000 0.248 344 N C -0.723 174.846 175.510 0.097 0.000 1.083 344 N CA 0.603 53.713 53.050 0.101 0.000 0.703 344 N CB -0.889 37.636 38.487 0.063 0.000 1.005 344 N HN 0.477 nan 8.380 nan 0.000 0.550 345 S N -0.391 115.403 115.700 0.158 0.000 2.610 345 S HA 0.394 4.865 4.470 0.001 0.000 0.273 345 S C -0.036 174.545 174.600 -0.032 0.000 1.274 345 S CA -0.773 57.462 58.200 0.058 0.000 1.023 345 S CB 2.184 65.487 63.200 0.173 0.000 0.962 345 S HN 0.061 nan 8.310 nan 0.000 0.523 346 Q N 0.840 120.442 119.800 -0.330 0.000 2.241 346 Q HA 0.458 4.799 4.340 0.001 0.000 0.254 346 Q C -1.470 174.139 176.000 -0.651 0.000 0.917 346 Q CA 0.043 55.680 55.803 -0.276 0.000 0.919 346 Q CB 1.304 29.953 28.738 -0.150 0.000 1.237 346 Q HN 0.855 nan 8.270 nan 0.000 0.434 347 W N 1.773 123.139 121.300 0.109 0.000 3.032 347 W HA 0.532 5.192 4.660 0.001 0.000 0.335 347 W C -0.630 175.954 176.519 0.109 0.000 1.154 347 W CA -0.576 56.831 57.345 0.103 0.000 1.204 347 W CB 1.238 30.755 29.460 0.095 0.000 1.416 347 W HN 0.277 nan 8.180 nan 0.000 0.521 348 I N 2.397 123.119 120.570 0.254 0.000 2.406 348 I HA 0.305 4.476 4.170 0.001 0.000 0.290 348 I C -0.309 175.872 176.117 0.107 0.000 0.999 348 I CA -1.097 60.243 61.300 0.066 0.000 1.124 348 I CB 1.406 39.193 38.000 -0.354 0.000 1.289 348 I HN 0.516 nan 8.210 nan 0.000 0.441 349 Q N 5.480 125.371 119.800 0.152 0.000 2.342 349 Q HA 0.721 5.061 4.340 0.001 0.000 0.267 349 Q C -1.920 174.090 176.000 0.017 0.000 1.038 349 Q CA -0.560 55.305 55.803 0.104 0.000 0.832 349 Q CB 2.511 31.352 28.738 0.172 0.000 1.323 349 Q HN 0.493 nan 8.270 nan 0.000 0.448 350 V N 2.678 122.558 119.914 -0.056 0.000 2.656 350 V HA 0.688 4.809 4.120 0.001 0.000 0.307 350 V C -0.652 175.334 176.094 -0.180 0.000 1.051 350 V CA -0.522 61.646 62.300 -0.220 0.000 0.893 350 V CB 1.590 33.264 31.823 -0.249 0.000 0.999 350 V HN 0.941 nan 8.190 nan 0.000 0.426 351 S N 4.280 119.832 115.700 -0.247 0.000 2.638 351 S HA 0.770 5.241 4.470 0.001 0.000 0.274 351 S C -1.581 172.849 174.600 -0.285 0.000 1.157 351 S CA -0.825 57.263 58.200 -0.187 0.000 0.826 351 S CB 2.281 65.437 63.200 -0.074 0.000 1.139 351 S HN 0.602 nan 8.310 nan 0.000 0.474 352 L N 2.705 123.765 121.223 -0.271 0.000 2.316 352 L HA 0.624 4.964 4.340 0.001 0.000 0.280 352 L C -1.246 175.603 176.870 -0.034 0.000 1.006 352 L CA -0.620 54.010 54.840 -0.351 0.000 0.836 352 L CB 1.037 42.640 42.059 -0.760 0.000 1.221 352 L HN 0.761 nan 8.230 nan 0.000 0.418 353 V N 7.062 126.981 119.914 0.008 0.000 2.439 353 V HA 0.551 4.671 4.120 0.001 0.000 0.282 353 V C -0.104 176.087 176.094 0.162 0.000 1.039 353 V CA -0.343 61.996 62.300 0.066 0.000 0.913 353 V CB 1.260 33.116 31.823 0.054 0.000 0.983 353 V HN 0.675 nan 8.190 nan 0.000 0.460 354 F N 2.074 121.975 119.950 -0.081 0.000 2.711 354 F HA 0.735 5.263 4.527 0.002 0.000 0.313 354 F C -0.844 174.921 175.800 -0.058 0.000 1.141 354 F CA -1.267 56.702 58.000 -0.053 0.000 0.941 354 F CB 1.737 40.706 39.000 -0.053 0.000 1.349 354 F HN 0.312 nan 8.300 nan 0.000 0.464 355 Q N 1.389 121.183 119.800 -0.009 0.000 2.245 355 Q HA 0.482 4.822 4.340 0.001 0.000 0.256 355 Q C -0.342 175.708 176.000 0.084 0.000 0.942 355 Q CA -1.038 54.709 55.803 -0.094 0.000 0.896 355 Q CB 2.167 30.907 28.738 0.004 0.000 1.272 355 Q HN 0.822 nan 8.270 nan 0.000 0.442 356 T N -1.082 113.465 114.554 -0.012 0.000 2.813 356 T HA 0.066 4.417 4.350 0.001 0.000 0.297 356 T C 0.945 175.662 174.700 0.028 0.000 1.036 356 T CA -0.682 61.478 62.100 0.100 0.000 1.044 356 T CB 0.517 69.399 68.868 0.024 0.000 0.993 356 T HN 0.502 nan 8.240 nan 0.000 0.535 357 L N 0.542 121.754 121.223 -0.019 0.000 2.191 357 L HA -0.013 4.327 4.340 0.001 0.000 0.212 357 L C 2.596 179.389 176.870 -0.127 0.000 1.103 357 L CA 1.761 56.526 54.840 -0.125 0.000 0.769 357 L CB -1.286 40.605 42.059 -0.280 0.000 0.908 357 L HN 0.864 nan 8.230 nan 0.000 0.438 358 Q N -0.627 119.118 119.800 -0.093 0.000 2.083 358 Q HA -0.161 4.179 4.340 0.001 0.000 0.198 358 Q C 2.219 178.189 176.000 -0.050 0.000 0.969 358 Q CA 1.624 57.383 55.803 -0.073 0.000 0.838 358 Q CB -0.179 28.526 28.738 -0.055 0.000 0.900 358 Q HN 0.622 nan 8.270 nan 0.000 0.436 359 Q N -0.833 118.939 119.800 -0.047 0.000 2.226 359 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 359 Q C 2.001 178.000 176.000 -0.001 0.000 0.975 359 Q CA 1.496 57.274 55.803 -0.042 0.000 0.866 359 Q CB -0.081 28.615 28.738 -0.070 0.000 0.915 359 Q HN 0.467 nan 8.270 nan 0.000 0.440 360 M N -0.507 119.094 119.600 0.002 0.000 2.160 360 M HA -0.100 4.381 4.480 0.001 0.000 0.264 360 M C 2.208 178.521 176.300 0.021 0.000 1.073 360 M CA 1.087 56.406 55.300 0.031 0.000 1.142 360 M CB -0.173 32.436 32.600 0.016 0.000 1.358 360 M HN -0.011 nan 8.290 nan 0.000 0.422 361 R N 1.380 121.869 120.500 -0.019 0.000 2.094 361 R HA -0.163 4.178 4.340 0.001 0.000 0.239 361 R C 1.093 177.394 176.300 0.002 0.000 1.137 361 R CA 1.986 58.074 56.100 -0.020 0.000 0.943 361 R CB -0.679 29.590 30.300 -0.051 0.000 0.850 361 R HN 0.302 nan 8.270 nan 0.000 0.433 362 D N 0.399 120.798 120.400 -0.002 0.000 2.349 362 D HA -0.022 4.619 4.640 0.001 0.000 0.224 362 D C -0.055 176.261 176.300 0.026 0.000 1.029 362 D CA 0.254 54.256 54.000 0.003 0.000 0.879 362 D CB -0.028 40.762 40.800 -0.015 0.000 0.906 362 D HN 0.266 nan 8.370 nan 0.000 0.528 363 K N 1.307 121.744 120.400 0.062 0.000 3.278 363 K HA -0.194 4.127 4.320 0.001 0.000 0.270 363 K C -0.313 176.357 176.600 0.117 0.000 0.955 363 K CA 0.514 56.898 56.287 0.162 0.000 0.723 363 K CB -1.452 31.150 32.500 0.170 0.000 1.382 363 K HN 0.256 nan 8.250 nan 0.000 0.461 364 T N 1.023 115.560 114.554 -0.027 0.000 2.814 364 T HA 0.326 4.677 4.350 0.001 0.000 0.297 364 T C -2.072 172.307 174.700 -0.535 0.000 0.956 364 T CA -1.574 60.407 62.100 -0.198 0.000 1.123 364 T CB 1.039 69.824 68.868 -0.139 0.000 0.902 364 T HN 0.129 nan 8.240 nan 0.000 0.528 365 P HA 0.194 nan 4.420 nan 0.000 0.268 365 P C -0.494 176.526 177.300 -0.467 0.000 1.204 365 P CA -0.253 62.195 63.100 -1.086 0.000 0.768 365 P CB 0.633 31.966 31.700 -0.611 0.000 0.842 366 L N 2.510 123.559 121.223 -0.290 0.000 2.344 366 L HA 0.608 4.949 4.340 0.001 0.000 0.272 366 L C 0.903 177.846 176.870 0.121 0.000 1.035 366 L CA -0.264 54.539 54.840 -0.061 0.000 0.807 366 L CB 1.494 43.538 42.059 -0.026 0.000 1.237 366 L HN 0.575 nan 8.230 nan 0.000 0.442 367 S N 0.360 116.139 115.700 0.131 0.000 2.611 367 S HA 0.381 4.852 4.470 0.001 0.000 0.268 367 S C 0.338 175.070 174.600 0.219 0.000 1.156 367 S CA -0.973 57.327 58.200 0.167 0.000 0.817 367 S CB 0.895 64.147 63.200 0.085 0.000 1.122 367 S HN 0.501 nan 8.310 nan 0.000 0.466 368 L N 0.683 121.995 121.223 0.148 0.000 2.187 368 L HA -0.120 4.221 4.340 0.001 0.000 0.213 368 L C 2.015 178.936 176.870 0.086 0.000 1.100 368 L CA 1.416 56.344 54.840 0.148 0.000 0.765 368 L CB -0.875 41.200 42.059 0.028 0.000 0.904 368 L HN 0.647 nan 8.230 nan 0.000 0.437 369 N N -1.040 117.688 118.700 0.046 0.000 2.290 369 N HA -0.055 4.686 4.740 0.001 0.000 0.179 369 N C 0.397 175.903 175.510 -0.007 0.000 1.016 369 N CA 0.882 53.940 53.050 0.013 0.000 0.871 369 N CB 0.352 38.841 38.487 0.004 0.000 0.987 369 N HN 0.073 nan 8.380 nan 0.000 0.431 370 T N 2.464 117.010 114.554 -0.013 0.000 3.466 370 T HA 0.268 4.619 4.350 0.001 0.000 0.297 370 T C -2.776 171.863 174.700 -0.102 0.000 1.640 370 T CA -1.233 60.831 62.100 -0.060 0.000 1.631 370 T CB 1.544 70.370 68.868 -0.071 0.000 0.928 370 T HN 0.084 nan 8.240 nan 0.000 0.688 371 P HA 0.337 nan 4.420 nan 0.000 0.274 371 P C -2.667 174.364 177.300 -0.449 0.000 1.246 371 P CA -1.450 61.437 63.100 -0.356 0.000 0.795 371 P CB 0.472 32.030 31.700 -0.236 0.000 1.006 372 P HA 0.141 nan 4.420 nan 0.000 0.277 372 P C 0.324 177.257 177.300 -0.613 0.000 1.271 372 P CA -0.023 62.740 63.100 -0.561 0.000 0.795 372 P CB 0.289 31.665 31.700 -0.540 0.000 1.101 373 G N -0.236 108.031 108.800 -0.889 0.000 2.569 373 G HA2 0.355 4.316 3.960 0.001 0.000 0.249 373 G HA3 0.355 4.316 3.960 0.001 0.000 0.249 373 G C -0.795 173.642 174.900 -0.772 0.000 1.216 373 G CA -0.165 44.354 45.100 -0.969 0.000 0.845 373 G HN 0.657 nan 8.290 nan 0.000 0.568 374 E N -0.159 119.904 120.200 -0.227 0.000 2.321 374 E HA 0.434 4.784 4.350 0.001 0.000 0.281 374 E C -1.637 175.028 176.600 0.108 0.000 0.910 374 E CA -0.656 55.744 56.400 -0.001 0.000 0.770 374 E CB 2.245 31.922 29.700 -0.038 0.000 1.225 374 E HN 0.289 nan 8.360 nan 0.000 0.417 375 V N 4.717 124.707 119.914 0.126 0.000 2.409 375 V HA 0.363 4.483 4.120 0.001 0.000 0.291 375 V C -0.284 175.813 176.094 0.005 0.000 1.020 375 V CA -1.009 61.336 62.300 0.075 0.000 0.848 375 V CB 1.593 33.462 31.823 0.077 0.000 0.990 375 V HN 0.563 nan 8.190 nan 0.000 0.430 376 K N 4.360 124.767 120.400 0.011 0.000 2.339 376 K HA 0.438 4.759 4.320 0.001 0.000 0.286 376 K C -0.675 175.929 176.600 0.007 0.000 1.050 376 K CA -0.513 55.770 56.287 -0.008 0.000 0.956 376 K CB 1.242 33.736 32.500 -0.010 0.000 0.990 376 K HN 0.275 nan 8.250 nan 0.000 0.475 377 L N 1.353 122.571 121.223 -0.009 0.000 2.360 377 L HA 0.362 4.703 4.340 0.001 0.000 0.271 377 L C 0.696 177.599 176.870 0.055 0.000 1.057 377 L CA -0.146 54.717 54.840 0.037 0.000 0.803 377 L CB 1.400 43.470 42.059 0.018 0.000 1.207 377 L HN 0.556 nan 8.230 nan 0.000 0.445 378 T N 3.388 117.996 114.554 0.089 0.000 2.786 378 T HA 0.516 4.867 4.350 0.001 0.000 0.283 378 T C -0.331 174.440 174.700 0.118 0.000 0.992 378 T CA -0.556 61.597 62.100 0.089 0.000 0.954 378 T CB 0.208 69.121 68.868 0.073 0.000 0.934 378 T HN 0.366 nan 8.240 nan 0.000 0.440 379 L N 5.302 126.605 121.223 0.134 0.000 2.485 379 L HA 0.291 4.632 4.340 0.001 0.000 0.279 379 L C 1.890 178.834 176.870 0.124 0.000 1.124 379 L CA -0.584 54.352 54.840 0.160 0.000 0.888 379 L CB 0.535 42.719 42.059 0.209 0.000 1.217 379 L HN 0.938 nan 8.230 nan 0.000 0.464 380 A N 3.411 126.297 122.820 0.110 0.000 2.032 380 A HA -0.139 4.182 4.320 0.001 0.000 0.221 380 A C 1.926 179.556 177.584 0.076 0.000 1.165 380 A CA 1.828 53.915 52.037 0.084 0.000 0.645 380 A CB -0.434 18.610 19.000 0.073 0.000 0.807 380 A HN 0.866 nan 8.150 nan 0.000 0.453 381 G N -2.226 106.624 108.800 0.083 0.000 3.189 381 G HA2 0.268 4.228 3.960 0.001 0.000 0.225 381 G HA3 0.268 4.228 3.960 0.001 0.000 0.225 381 G C 0.336 175.283 174.900 0.078 0.000 1.159 381 G CA 0.476 45.617 45.100 0.069 0.000 0.763 381 G HN 0.488 nan 8.290 nan 0.000 0.549 382 c N 0.214 118.875 118.600 0.102 0.000 2.463 382 c HA 0.651 5.221 4.570 0.001 0.000 0.380 382 c C 1.392 175.541 174.090 0.099 0.000 1.264 382 c CA -0.310 56.088 56.329 0.115 0.000 2.161 382 c CB 1.842 44.446 42.510 0.157 0.000 2.515 382 c HN 0.541 nan 8.230 nan 0.000 0.565 383 E N 1.463 121.722 120.200 0.098 0.000 2.288 383 E HA 0.128 4.479 4.350 0.001 0.000 0.200 383 E C 0.432 177.098 176.600 0.110 0.000 0.880 383 E CA 0.371 56.823 56.400 0.086 0.000 0.971 383 E CB -0.144 29.596 29.700 0.067 0.000 0.954 383 E HN 0.807 nan 8.360 nan 0.000 0.489 384 E N 1.574 121.855 120.200 0.135 0.000 2.104 384 E HA 0.137 4.487 4.350 0.001 0.000 0.278 384 E C -0.702 176.088 176.600 0.316 0.000 1.127 384 E CA -0.105 56.412 56.400 0.196 0.000 0.897 384 E CB 0.287 30.087 29.700 0.166 0.000 1.043 384 E HN 0.060 nan 8.360 nan 0.000 0.410 385 R N 2.961 123.617 120.500 0.260 0.000 2.854 385 R HA 0.317 4.658 4.340 0.001 0.000 0.271 385 R C -0.163 176.110 176.300 -0.046 0.000 0.996 385 R CA -1.014 55.206 56.100 0.200 0.000 0.961 385 R CB 1.047 31.393 30.300 0.076 0.000 1.182 385 R HN 0.556 nan 8.270 nan 0.000 0.479 386 N N 0.269 118.702 118.700 -0.445 0.000 2.538 386 N HA 0.223 4.964 4.740 0.001 0.000 0.292 386 N C 0.621 175.888 175.510 -0.406 0.000 1.262 386 N CA -0.369 52.207 53.050 -0.790 0.000 0.976 386 N CB 0.119 37.665 38.487 -1.569 0.000 1.161 386 N HN 0.535 nan 8.380 nan 0.000 0.598 387 A N -0.940 121.657 122.820 -0.372 0.000 1.978 387 A HA -0.205 4.116 4.320 0.001 0.000 0.220 387 A C 1.609 179.062 177.584 -0.219 0.000 1.170 387 A CA 1.416 53.311 52.037 -0.236 0.000 0.636 387 A CB -0.761 18.117 19.000 -0.204 0.000 0.810 387 A HN 0.707 nan 8.150 nan 0.000 0.448 388 Q N -1.278 118.352 119.800 -0.283 0.000 2.444 388 Q HA 0.223 4.564 4.340 0.001 0.000 0.206 388 Q C 1.103 176.990 176.000 -0.190 0.000 0.948 388 Q CA 0.856 56.511 55.803 -0.246 0.000 0.946 388 Q CB -0.632 27.908 28.738 -0.329 0.000 1.027 388 Q HN 1.205 nan 8.270 nan 0.000 0.513 389 G N 1.054 109.753 108.800 -0.168 0.000 2.132 389 G HA2 -0.263 3.698 3.960 0.001 0.000 0.234 389 G HA3 -0.263 3.698 3.960 0.001 0.000 0.234 389 G C 0.039 174.914 174.900 -0.043 0.000 0.989 389 G CA 0.294 45.342 45.100 -0.087 0.000 0.676 389 G HN 0.271 nan 8.290 nan 0.000 0.522 390 M N -0.294 119.265 119.600 -0.068 0.000 2.291 390 M HA 0.473 4.953 4.480 0.001 0.000 0.324 390 M C 0.967 177.420 176.300 0.256 0.000 1.148 390 M CA -0.544 54.796 55.300 0.067 0.000 1.104 390 M CB 1.473 34.113 32.600 0.067 0.000 1.483 390 M HN 0.260 nan 8.290 nan 0.000 0.467 391 c N 1.935 120.716 118.600 0.302 0.000 2.405 391 c HA 0.510 5.080 4.570 0.001 0.000 0.365 391 c C 0.840 175.183 174.090 0.421 0.000 1.233 391 c CA -0.534 56.006 56.329 0.352 0.000 2.230 391 c CB 0.515 43.189 42.510 0.274 0.000 2.443 391 c HN 0.958 nan 8.230 nan 0.000 0.556 392 S N 5.186 121.040 115.700 0.257 0.000 2.584 392 S HA 0.111 4.582 4.470 0.001 0.000 0.270 392 S C 1.082 175.619 174.600 -0.106 0.000 1.346 392 S CA -0.448 57.558 58.200 -0.323 0.000 1.018 392 S CB 0.487 63.356 63.200 -0.552 0.000 0.899 392 S HN 0.896 nan 8.310 nan 0.000 0.542 393 L N 1.345 122.440 121.223 -0.214 0.000 2.042 393 L HA -0.115 4.225 4.340 0.001 0.000 0.210 393 L C 2.785 179.677 176.870 0.037 0.000 1.076 393 L CA 1.954 56.785 54.840 -0.015 0.000 0.749 393 L CB -1.174 40.842 42.059 -0.072 0.000 0.893 393 L HN 0.999 nan 8.230 nan 0.000 0.432 394 A N -0.143 122.639 122.820 -0.064 0.000 1.883 394 A HA -0.179 4.141 4.320 0.001 0.000 0.217 394 A C 2.291 179.879 177.584 0.008 0.000 1.186 394 A CA 1.768 53.783 52.037 -0.038 0.000 0.624 394 A CB -1.378 17.578 19.000 -0.072 0.000 0.822 394 A HN 0.531 nan 8.150 nan 0.000 0.444 395 G N -1.463 107.356 108.800 0.032 0.000 2.418 395 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 395 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 395 G C 1.525 176.500 174.900 0.124 0.000 1.158 395 G CA 1.101 46.248 45.100 0.078 0.000 0.771 395 G HN 0.533 nan 8.290 nan 0.000 0.545 396 F N 1.796 121.760 119.950 0.024 0.000 2.134 396 F HA -0.084 4.444 4.527 0.002 0.000 0.299 396 F C 2.865 178.673 175.800 0.014 0.000 1.097 396 F CA 1.987 60.014 58.000 0.045 0.000 1.264 396 F CB -0.180 38.862 39.000 0.069 0.000 1.001 396 F HN 0.104 nan 8.300 nan 0.000 0.479 397 T N 0.044 114.570 114.554 -0.047 0.000 2.788 397 T HA -0.270 4.081 4.350 0.001 0.000 0.268 397 T C 1.844 176.442 174.700 -0.170 0.000 1.044 397 T CA 1.638 63.641 62.100 -0.162 0.000 1.139 397 T CB -0.365 68.473 68.868 -0.051 0.000 0.867 397 T HN 0.472 nan 8.240 nan 0.000 0.454 398 Q N 0.346 120.087 119.800 -0.097 0.000 2.079 398 Q HA -0.041 4.300 4.340 0.001 0.000 0.200 398 Q C 2.298 178.239 176.000 -0.100 0.000 0.974 398 Q CA 1.203 56.960 55.803 -0.077 0.000 0.840 398 Q CB -0.240 28.478 28.738 -0.034 0.000 0.898 398 Q HN 0.510 nan 8.270 nan 0.000 0.430 399 I N 0.151 120.653 120.570 -0.112 0.000 2.226 399 I HA -0.260 3.910 4.170 0.001 0.000 0.245 399 I C 2.255 178.267 176.117 -0.175 0.000 1.100 399 I CA 0.812 62.048 61.300 -0.106 0.000 1.374 399 I CB -0.193 37.777 38.000 -0.050 0.000 1.057 399 I HN 0.129 nan 8.210 nan 0.000 0.413 400 V N 1.206 120.923 119.914 -0.328 0.000 2.343 400 V HA -0.263 3.858 4.120 0.001 0.000 0.247 400 V C 2.120 178.097 176.094 -0.195 0.000 1.051 400 V CA 1.852 63.959 62.300 -0.322 0.000 1.036 400 V CB -0.786 30.740 31.823 -0.496 0.000 0.654 400 V HN 0.457 nan 8.190 nan 0.000 0.451 401 N N 0.113 118.709 118.700 -0.174 0.000 2.223 401 N HA -0.151 4.590 4.740 0.001 0.000 0.185 401 N C 1.760 177.217 175.510 -0.088 0.000 1.016 401 N CA 1.265 54.244 53.050 -0.118 0.000 0.863 401 N CB -0.154 38.272 38.487 -0.102 0.000 0.983 401 N HN 0.634 nan 8.380 nan 0.000 0.429 402 E N 0.156 120.307 120.200 -0.082 0.000 2.230 402 E HA 0.096 4.446 4.350 0.001 0.000 0.192 402 E C 1.647 178.215 176.600 -0.053 0.000 0.987 402 E CA 0.490 56.856 56.400 -0.057 0.000 0.841 402 E CB 0.124 29.798 29.700 -0.044 0.000 0.783 402 E HN 0.301 nan 8.360 nan 0.000 0.481 403 A N 2.273 125.055 122.820 -0.065 0.000 1.935 403 A HA -0.046 4.274 4.320 0.001 0.000 0.214 403 A C 1.389 178.940 177.584 -0.055 0.000 1.178 403 A CA 0.062 52.068 52.037 -0.052 0.000 0.640 403 A CB -0.318 18.654 19.000 -0.048 0.000 0.825 403 A HN 0.138 nan 8.150 nan 0.000 0.447 404 R N -0.077 120.381 120.500 -0.070 0.000 2.738 404 R HA 0.330 4.671 4.340 0.001 0.000 0.268 404 R C -0.907 175.361 176.300 -0.054 0.000 1.062 404 R CA -0.192 55.869 56.100 -0.065 0.000 1.158 404 R CB 0.289 30.541 30.300 -0.080 0.000 1.046 404 R HN 0.116 nan 8.270 nan 0.000 0.493 405 I N 2.897 123.438 120.570 -0.048 0.000 2.359 405 I HA 0.210 4.380 4.170 0.001 0.000 0.284 405 I C -1.853 174.239 176.117 -0.042 0.000 1.018 405 I CA -3.195 58.080 61.300 -0.042 0.000 1.173 405 I CB 0.952 38.929 38.000 -0.038 0.000 1.326 405 I HN 0.445 nan 8.210 nan 0.000 0.462 406 P HA -0.228 nan 4.420 nan 0.000 0.218 406 P C 1.574 178.853 177.300 -0.036 0.000 1.154 406 P CA 1.936 65.012 63.100 -0.040 0.000 0.872 406 P CB 0.425 32.103 31.700 -0.037 0.000 0.790 407 A N -1.748 121.053 122.820 -0.032 0.000 2.131 407 A HA -0.194 4.127 4.320 0.001 0.000 0.220 407 A C 1.926 179.493 177.584 -0.029 0.000 1.158 407 A CA 1.535 53.555 52.037 -0.029 0.000 0.665 407 A CB -1.530 17.454 19.000 -0.026 0.000 0.795 407 A HN 0.289 nan 8.150 nan 0.000 0.460 408 c N 0.431 119.012 118.600 -0.032 0.000 2.906 408 c HA 0.260 4.830 4.570 0.001 0.000 0.274 408 c C 1.496 175.565 174.090 -0.035 0.000 1.257 408 c CA -0.194 56.116 56.329 -0.032 0.000 1.695 408 c CB -1.747 40.744 42.510 -0.033 0.000 1.958 408 c HN 0.662 nan 8.230 nan 0.000 0.619 409 S N 0.952 116.629 115.700 -0.038 0.000 2.593 409 S HA 0.528 4.999 4.470 0.001 0.000 0.269 409 S C -0.237 174.342 174.600 -0.035 0.000 1.334 409 S CA -0.311 57.864 58.200 -0.041 0.000 1.015 409 S CB 0.819 63.992 63.200 -0.044 0.000 0.912 409 S HN 0.149 nan 8.310 nan 0.000 0.541 410 L N 0.000 121.202 121.223 -0.035 0.000 2.949 410 L HA 0.000 4.341 4.340 0.001 0.000 0.249 410 L CA 0.000 54.822 54.840 -0.031 0.000 0.813 410 L CB 0.000 42.041 42.059 -0.030 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502