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 1k9a_1_D DATA FIRST_RESID 6 DATA SEQUENCE ASWPSGTECI AKYNFHGTAE QDLPFCKGDV LTIVAVTKDP NWYKAKNKVG DATA SEQUENCE REGIIPANYV QKREGVKAGT KLSLMPWFHG KITREQAERL LYPPETGLFL DATA SEQUENCE VREXXXXXXX YTLCVScEGK VEHYRIMYHA SKLSIDEEVY FENLMQLVEH DATA SEQUENCE YTTDADGLcT RLIKPKVMEG TVAAQDEFYR SGWALNMKEL KLLQTIGKGE DATA SEQUENCE FGDVMLGDYR GNKVAVKCIK NDATAQAFLA EASVMTQLRH SNLVQLLGVI DATA SEQUENCE VEEKGGLYIV TEYMAKGSLV DYLRSRGRSV LGGDCLLKFS LDVCEAMEYL DATA SEQUENCE EGNNFVHRDL AARNVLVSED NVAKVSDFGL TKEASSTXXX XXLPVKWTAP DATA SEQUENCE EALREKKFST KSDVWSFGIL LWEIYSFGRV PYPRIPLKDV VPRVEKGYKM DATA SEQUENCE DAPDGCPPAV YDVMKNCWHL DAATRPTFLQ LREQLEHIRT HELHL 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.540 177.584 -0.074 0.000 1.274 6 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 6 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 7 S N 0.371 116.044 115.700 -0.044 0.000 2.576 7 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 7 S C -0.059 174.617 174.600 0.128 0.000 1.339 7 S CA -0.290 57.900 58.200 -0.018 0.000 1.039 7 S CB 0.115 63.322 63.200 0.012 0.000 0.902 7 S HN 0.355 nan 8.310 nan 0.000 0.516 8 W N 2.300 123.755 121.300 0.259 0.000 2.264 8 W HA 0.280 4.940 4.660 -0.000 0.000 0.331 8 W C -2.394 174.213 176.519 0.146 0.000 1.364 8 W CA -2.122 55.280 57.345 0.095 0.000 1.253 8 W CB -1.054 28.309 29.460 -0.161 0.000 1.215 8 W HN 0.526 nan 8.180 nan 0.000 0.561 9 P HA 0.039 nan 4.420 nan 0.000 0.275 9 P C -0.000 177.393 177.300 0.155 0.000 1.228 9 P CA -0.270 62.941 63.100 0.186 0.000 0.786 9 P CB 0.852 32.627 31.700 0.125 0.000 0.927 10 S N 1.436 117.212 115.700 0.127 0.000 2.552 10 S HA 0.319 4.789 4.470 -0.000 0.000 0.289 10 S C 1.460 176.091 174.600 0.052 0.000 1.304 10 S CA 1.256 59.514 58.200 0.097 0.000 1.063 10 S CB -1.125 62.123 63.200 0.081 0.000 0.848 10 S HN 0.866 nan 8.310 nan 0.000 0.499 11 G N 3.160 111.975 108.800 0.025 0.000 2.254 11 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.225 11 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.225 11 G C 0.312 175.181 174.900 -0.051 0.000 1.003 11 G CA 0.134 45.231 45.100 -0.006 0.000 0.622 11 G HN 0.959 nan 8.290 nan 0.000 0.507 12 T N 2.232 116.744 114.554 -0.070 0.000 2.946 12 T HA 0.406 4.756 4.350 -0.000 0.000 0.311 12 T C 0.136 174.677 174.700 -0.266 0.000 1.063 12 T CA 0.619 62.616 62.100 -0.172 0.000 1.139 12 T CB 0.940 69.672 68.868 -0.227 0.000 0.994 12 T HN 0.427 nan 8.240 nan 0.000 0.547 13 E N 1.289 121.301 120.200 -0.314 0.000 2.133 13 E HA 0.406 4.756 4.350 -0.000 0.000 0.274 13 E C -0.908 175.392 176.600 -0.499 0.000 0.930 13 E CA -0.597 55.594 56.400 -0.349 0.000 0.770 13 E CB 0.986 30.522 29.700 -0.274 0.000 1.104 13 E HN 0.524 nan 8.360 nan 0.000 0.403 14 C N 3.756 122.726 119.300 -0.550 0.000 2.507 14 C HA 0.510 4.970 4.460 -0.000 0.000 0.319 14 C C -0.103 174.594 174.990 -0.488 0.000 1.208 14 C CA -0.946 57.690 59.018 -0.637 0.000 1.619 14 C CB 0.485 27.704 27.740 -0.869 0.000 2.230 14 C HN 0.632 nan 8.230 nan 0.000 0.492 15 I N 2.727 123.035 120.570 -0.436 0.000 2.353 15 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 15 I C 0.862 176.784 176.117 -0.324 0.000 0.992 15 I CA -0.273 60.814 61.300 -0.356 0.000 1.268 15 I CB 0.599 38.403 38.000 -0.327 0.000 1.387 15 I HN 0.838 nan 8.210 nan 0.000 0.478 16 A N 6.734 129.374 122.820 -0.300 0.000 2.522 16 A HA 0.116 4.436 4.320 -0.000 0.000 0.256 16 A C 1.185 178.691 177.584 -0.130 0.000 1.086 16 A CA 0.026 51.948 52.037 -0.191 0.000 0.763 16 A CB -0.048 18.929 19.000 -0.038 0.000 1.024 16 A HN 0.799 nan 8.150 nan 0.000 0.502 17 K N 1.060 121.313 120.400 -0.245 0.000 2.305 17 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 17 K C -0.731 175.463 176.600 -0.677 0.000 1.047 17 K CA 1.065 56.997 56.287 -0.591 0.000 0.976 17 K CB 0.050 31.951 32.500 -0.999 0.000 0.765 17 K HN 0.808 nan 8.250 nan 0.000 0.474 18 Y N -0.978 119.403 120.300 0.135 0.000 2.689 18 Y HA 0.258 4.808 4.550 -0.000 0.000 0.333 18 Y C -0.290 175.787 175.900 0.296 0.000 1.190 18 Y CA -1.719 56.464 58.100 0.138 0.000 1.063 18 Y CB 0.377 38.829 38.460 -0.014 0.000 1.294 18 Y HN -0.226 nan 8.280 nan 0.000 0.466 19 N N 0.931 119.855 118.700 0.374 0.000 2.525 19 N HA 0.231 4.970 4.740 -0.000 0.000 0.271 19 N C -1.557 173.989 175.510 0.060 0.000 1.194 19 N CA 0.066 53.192 53.050 0.127 0.000 0.964 19 N CB 0.804 39.282 38.487 -0.016 0.000 1.126 19 N HN 0.522 nan 8.380 nan 0.000 0.452 20 F N 1.923 121.495 119.950 -0.629 0.000 2.477 20 F HA 0.315 4.842 4.527 -0.000 0.000 0.335 20 F C 0.834 176.177 175.800 -0.762 0.000 1.130 20 F CA -0.756 56.769 58.000 -0.791 0.000 0.948 20 F CB 0.779 38.872 39.000 -1.512 0.000 1.154 20 F HN 0.496 nan 8.300 nan 0.000 0.439 21 H N 3.973 122.549 119.070 -0.822 0.000 2.575 21 H HA 0.341 4.897 4.556 -0.000 0.000 0.267 21 H C 0.955 175.789 175.328 -0.825 0.000 0.966 21 H CA 0.687 56.355 56.048 -0.634 0.000 1.165 21 H CB 0.370 29.936 29.762 -0.327 0.000 1.433 21 H HN 0.796 nan 8.280 nan 0.000 0.544 22 G N 0.812 108.698 108.800 -1.522 0.000 2.784 22 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 22 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 22 G C 0.620 175.291 174.900 -0.381 0.000 1.156 22 G CA 0.034 44.571 45.100 -0.938 0.000 0.757 22 G HN 0.302 nan 8.290 nan 0.000 0.642 23 T N -1.711 112.793 114.554 -0.083 0.000 3.004 23 T HA 0.791 5.141 4.350 -0.000 0.000 0.266 23 T C 0.880 175.556 174.700 -0.039 0.000 0.986 23 T CA 1.425 63.523 62.100 -0.003 0.000 0.902 23 T CB 0.568 69.509 68.868 0.122 0.000 1.118 23 T HN 2.450 nan 8.240 nan 0.000 0.522 24 A N 0.366 123.158 122.820 -0.048 0.000 2.599 24 A HA 0.657 4.977 4.320 -0.000 0.000 0.290 24 A C 0.315 177.875 177.584 -0.039 0.000 1.101 24 A CA -0.512 51.491 52.037 -0.058 0.000 0.674 24 A CB 0.629 19.572 19.000 -0.095 0.000 1.277 24 A HN -0.083 nan 8.150 nan 0.000 0.419 25 E N 0.394 120.572 120.200 -0.036 0.000 2.160 25 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 25 E C 1.856 178.454 176.600 -0.004 0.000 0.991 25 E CA 2.012 58.400 56.400 -0.020 0.000 0.810 25 E CB -0.168 29.520 29.700 -0.020 0.000 0.742 25 E HN 0.754 nan 8.360 nan 0.000 0.466 26 Q N 0.707 120.501 119.800 -0.010 0.000 2.472 26 Q HA -0.005 4.335 4.340 -0.000 0.000 0.208 26 Q C -0.197 175.837 176.000 0.056 0.000 0.958 26 Q CA 0.343 56.153 55.803 0.010 0.000 0.932 26 Q CB 0.030 28.758 28.738 -0.017 0.000 1.007 26 Q HN -0.040 nan 8.270 nan 0.000 0.508 27 D N 1.517 121.960 120.400 0.073 0.000 2.372 27 D HA 0.227 4.866 4.640 -0.000 0.000 0.243 27 D C -1.011 175.409 176.300 0.200 0.000 1.121 27 D CA -0.269 53.847 54.000 0.194 0.000 0.898 27 D CB 1.224 42.164 40.800 0.233 0.000 1.202 27 D HN 0.129 nan 8.370 nan 0.000 0.428 28 L N 3.627 125.047 121.223 0.328 0.000 2.295 28 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 28 L C -2.676 174.417 176.870 0.370 0.000 1.018 28 L CA -1.732 53.282 54.840 0.290 0.000 0.841 28 L CB 1.341 43.577 42.059 0.295 0.000 1.218 28 L HN 0.120 nan 8.230 nan 0.000 0.424 29 P HA 0.432 nan 4.420 nan 0.000 0.272 29 P C -1.456 175.925 177.300 0.135 0.000 1.240 29 P CA 0.118 63.185 63.100 -0.056 0.000 0.791 29 P CB 0.571 32.181 31.700 -0.150 0.000 0.978 30 F N -2.259 117.750 119.950 0.098 0.000 2.770 30 F HA 0.573 5.100 4.527 -0.000 0.000 0.313 30 F C -1.770 174.057 175.800 0.044 0.000 1.154 30 F CA -1.361 56.685 58.000 0.076 0.000 0.923 30 F CB -0.082 38.981 39.000 0.105 0.000 1.301 30 F HN 0.206 nan 8.300 nan 0.000 0.449 31 C N 1.149 120.656 119.300 0.344 0.000 2.399 31 C HA 0.633 5.093 4.460 -0.000 0.000 0.348 31 C C 0.148 175.301 174.990 0.271 0.000 1.183 31 C CA -1.046 58.101 59.018 0.214 0.000 2.023 31 C CB 1.499 29.304 27.740 0.108 0.000 2.361 31 C HN 0.980 nan 8.230 nan 0.000 0.521 32 K N 0.752 121.274 120.400 0.203 0.000 2.511 32 K HA 0.324 4.644 4.320 -0.000 0.000 0.280 32 K C 1.210 177.851 176.600 0.069 0.000 1.008 32 K CA 1.510 57.884 56.287 0.145 0.000 1.050 32 K CB -0.249 32.323 32.500 0.119 0.000 0.889 32 K HN 1.192 nan 8.250 nan 0.000 0.484 33 G N 3.061 111.868 108.800 0.012 0.000 2.234 33 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.235 33 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.235 33 G C -0.304 174.570 174.900 -0.043 0.000 0.997 33 G CA 0.142 45.231 45.100 -0.018 0.000 0.623 33 G HN 0.721 nan 8.290 nan 0.000 0.514 34 D N 0.324 120.708 120.400 -0.027 0.000 2.382 34 D HA 0.449 5.089 4.640 -0.000 0.000 0.240 34 D C 0.582 176.785 176.300 -0.161 0.000 1.146 34 D CA 0.089 54.055 54.000 -0.057 0.000 0.897 34 D CB 1.611 42.415 40.800 0.008 0.000 1.197 34 D HN 0.186 nan 8.370 nan 0.000 0.432 35 V N 2.833 122.656 119.914 -0.152 0.000 2.394 35 V HA 0.312 4.432 4.120 -0.000 0.000 0.282 35 V C 0.139 176.104 176.094 -0.215 0.000 1.031 35 V CA -0.576 61.601 62.300 -0.205 0.000 0.881 35 V CB 1.012 32.736 31.823 -0.163 0.000 0.982 35 V HN 0.281 nan 8.190 nan 0.000 0.451 36 L N 4.284 125.331 121.223 -0.294 0.000 2.341 36 L HA 0.568 4.908 4.340 -0.000 0.000 0.278 36 L C 0.222 176.950 176.870 -0.236 0.000 1.005 36 L CA -0.092 54.585 54.840 -0.271 0.000 0.818 36 L CB 2.232 44.047 42.059 -0.406 0.000 1.259 36 L HN 0.555 nan 8.230 nan 0.000 0.418 37 T N 3.851 118.316 114.554 -0.148 0.000 2.767 37 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 37 T C 0.118 174.770 174.700 -0.079 0.000 0.973 37 T CA -0.448 61.578 62.100 -0.122 0.000 0.996 37 T CB 0.864 69.688 68.868 -0.073 0.000 0.927 37 T HN 0.157 nan 8.240 nan 0.000 0.456 38 I N 4.339 124.855 120.570 -0.090 0.000 2.471 38 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 38 I C 1.306 177.467 176.117 0.074 0.000 1.079 38 I CA 0.220 61.525 61.300 0.009 0.000 1.398 38 I CB 0.957 38.964 38.000 0.012 0.000 1.403 38 I HN 0.475 nan 8.210 nan 0.000 0.530 39 V N 5.698 125.687 119.914 0.123 0.000 2.521 39 V HA 0.377 4.497 4.120 -0.000 0.000 0.239 39 V C 0.658 176.836 176.094 0.140 0.000 1.053 39 V CA 1.063 63.428 62.300 0.107 0.000 1.073 39 V CB 0.223 32.104 31.823 0.096 0.000 0.746 39 V HN 0.911 nan 8.190 nan 0.000 0.476 40 A N -0.986 121.954 122.820 0.201 0.000 2.586 40 A HA 0.561 4.881 4.320 -0.000 0.000 0.296 40 A C -1.141 176.546 177.584 0.173 0.000 1.040 40 A CA -0.207 51.943 52.037 0.188 0.000 0.701 40 A CB 1.008 20.068 19.000 0.099 0.000 1.277 40 A HN 0.085 nan 8.150 nan 0.000 0.413 41 V N 1.537 121.457 119.914 0.010 0.000 3.051 41 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 41 V C 1.035 177.006 176.094 -0.206 0.000 1.083 41 V CA 1.002 63.028 62.300 -0.457 0.000 1.104 41 V CB 1.533 32.952 31.823 -0.673 0.000 1.027 41 V HN 1.724 nan 8.190 nan 0.000 0.483 42 T N 2.672 117.103 114.554 -0.206 0.000 2.893 42 T HA 0.408 4.758 4.350 -0.000 0.000 0.279 42 T C 1.035 175.690 174.700 -0.075 0.000 0.991 42 T CA -0.600 61.457 62.100 -0.072 0.000 0.950 42 T CB 0.823 69.690 68.868 -0.001 0.000 1.223 42 T HN 0.630 nan 8.240 nan 0.000 0.585 43 K N 0.283 120.661 120.400 -0.038 0.000 2.160 43 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 43 K C 0.544 177.129 176.600 -0.024 0.000 1.047 43 K CA 1.104 57.373 56.287 -0.031 0.000 0.930 43 K CB -0.580 31.908 32.500 -0.020 0.000 0.720 43 K HN 0.664 nan 8.250 nan 0.000 0.450 44 D N 0.802 121.205 120.400 0.006 0.000 2.317 44 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 44 D C -2.019 174.286 176.300 0.007 0.000 1.112 44 D CA -2.612 51.422 54.000 0.058 0.000 0.840 44 D CB 1.610 42.520 40.800 0.184 0.000 1.078 44 D HN -0.201 nan 8.370 nan 0.000 0.486 45 P HA -0.088 nan 4.420 nan 0.000 0.222 45 P C 0.696 177.916 177.300 -0.134 0.000 1.142 45 P CA 0.679 63.691 63.100 -0.147 0.000 0.788 45 P CB 0.333 31.972 31.700 -0.102 0.000 0.767 46 N N -2.152 116.513 118.700 -0.058 0.000 2.463 46 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 46 N C -0.097 175.187 175.510 -0.377 0.000 1.078 46 N CA 0.655 53.581 53.050 -0.206 0.000 0.902 46 N CB 0.026 38.377 38.487 -0.227 0.000 0.970 46 N HN 0.266 nan 8.380 nan 0.000 0.451 47 W N -0.329 120.959 121.300 -0.020 0.000 2.819 47 W HA 0.460 5.120 4.660 -0.000 0.000 0.337 47 W C -0.777 175.718 176.519 -0.040 0.000 1.077 47 W CA -0.663 56.709 57.345 0.045 0.000 1.226 47 W CB 0.632 30.100 29.460 0.013 0.000 1.419 47 W HN -0.216 nan 8.180 nan 0.000 0.502 48 Y N 0.846 121.311 120.300 0.275 0.000 2.536 48 Y HA 0.406 4.956 4.550 -0.000 0.000 0.347 48 Y C -0.077 175.937 175.900 0.191 0.000 1.000 48 Y CA -1.794 56.428 58.100 0.204 0.000 1.051 48 Y CB 2.152 40.737 38.460 0.209 0.000 1.259 48 Y HN 0.231 nan 8.280 nan 0.000 0.468 49 K N 1.807 122.386 120.400 0.299 0.000 2.227 49 K HA 0.829 5.149 4.320 -0.000 0.000 0.280 49 K C -1.088 175.635 176.600 0.205 0.000 1.041 49 K CA -0.159 56.252 56.287 0.207 0.000 0.905 49 K CB 0.531 33.113 32.500 0.137 0.000 1.068 49 K HN 0.803 nan 8.250 nan 0.000 0.470 50 A N 4.054 126.974 122.820 0.166 0.000 2.552 50 A HA 0.661 4.981 4.320 -0.000 0.000 0.288 50 A C -1.476 176.156 177.584 0.079 0.000 1.193 50 A CA -0.920 51.180 52.037 0.105 0.000 0.713 50 A CB 1.398 20.439 19.000 0.068 0.000 1.305 50 A HN 0.696 nan 8.150 nan 0.000 0.424 51 K N 0.398 120.820 120.400 0.036 0.000 2.426 51 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 51 K C -0.940 175.662 176.600 0.004 0.000 0.941 51 K CA -0.875 55.432 56.287 0.032 0.000 0.808 51 K CB 2.000 34.514 32.500 0.023 0.000 1.265 51 K HN 0.853 nan 8.250 nan 0.000 0.432 52 N N 0.426 119.139 118.700 0.022 0.000 2.538 52 N HA 0.075 4.815 4.740 -0.000 0.000 0.292 52 N C 0.416 175.924 175.510 -0.003 0.000 1.262 52 N CA -0.662 52.392 53.050 0.006 0.000 0.976 52 N CB 0.311 38.825 38.487 0.045 0.000 1.161 52 N HN 0.549 nan 8.380 nan 0.000 0.598 53 K N -1.382 119.012 120.400 -0.009 0.000 2.519 53 K HA -0.002 4.318 4.320 -0.000 0.000 0.196 53 K C 0.334 176.934 176.600 -0.000 0.000 1.041 53 K CA 0.795 57.075 56.287 -0.011 0.000 0.954 53 K CB -0.123 32.368 32.500 -0.014 0.000 0.774 53 K HN 0.235 nan 8.250 nan 0.000 0.480 54 V N 0.219 120.139 119.914 0.010 0.000 3.528 54 V HA 0.221 4.341 4.120 -0.000 0.000 0.294 54 V C 1.070 177.173 176.094 0.016 0.000 1.404 54 V CA 0.677 62.985 62.300 0.013 0.000 1.065 54 V CB 0.579 32.413 31.823 0.018 0.000 0.904 54 V HN 0.710 nan 8.190 nan 0.000 0.435 55 G N 0.904 109.714 108.800 0.017 0.000 2.194 55 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 55 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 55 G C 0.395 175.313 174.900 0.030 0.000 0.987 55 G CA -0.082 45.030 45.100 0.020 0.000 0.635 55 G HN 0.453 nan 8.290 nan 0.000 0.520 56 R N 1.057 121.579 120.500 0.038 0.000 2.570 56 R HA 0.411 4.751 4.340 -0.000 0.000 0.277 56 R C 0.144 176.481 176.300 0.061 0.000 1.039 56 R CA 0.398 56.527 56.100 0.050 0.000 1.065 56 R CB 0.607 30.943 30.300 0.059 0.000 0.964 56 R HN 0.515 nan 8.270 nan 0.000 0.428 57 E N 0.862 121.101 120.200 0.064 0.000 2.199 57 E HA 0.570 4.920 4.350 -0.000 0.000 0.269 57 E C -0.767 175.889 176.600 0.093 0.000 0.899 57 E CA -0.708 55.737 56.400 0.075 0.000 0.772 57 E CB 1.781 31.516 29.700 0.060 0.000 1.155 57 E HN 0.733 nan 8.360 nan 0.000 0.408 58 G N 2.630 111.503 108.800 0.121 0.000 2.430 58 G HA2 0.283 4.243 3.960 -0.000 0.000 0.300 58 G HA3 0.283 4.243 3.960 -0.000 0.000 0.300 58 G C -1.484 173.528 174.900 0.187 0.000 1.330 58 G CA -0.818 44.367 45.100 0.141 0.000 0.813 58 G HN 0.388 nan 8.290 nan 0.000 0.487 59 I N 1.336 122.028 120.570 0.204 0.000 2.396 59 I HA 0.523 4.693 4.170 -0.000 0.000 0.292 59 I C 0.601 176.953 176.117 0.393 0.000 0.999 59 I CA -0.731 60.727 61.300 0.264 0.000 1.310 59 I CB 0.473 38.568 38.000 0.157 0.000 1.404 59 I HN 0.626 nan 8.210 nan 0.000 0.496 60 I N 4.974 125.795 120.570 0.418 0.000 2.828 60 I HA 0.684 4.854 4.170 -0.000 0.000 0.302 60 I C -2.879 173.346 176.117 0.180 0.000 1.101 60 I CA -2.264 59.200 61.300 0.273 0.000 1.031 60 I CB 2.942 41.120 38.000 0.298 0.000 1.231 60 I HN 0.234 nan 8.210 nan 0.000 0.427 61 P HA 0.243 nan 4.420 nan 0.000 0.297 61 P C 0.354 177.530 177.300 -0.207 0.000 1.319 61 P CA -0.317 62.318 63.100 -0.775 0.000 0.810 61 P CB 1.993 32.882 31.700 -1.351 0.000 0.947 62 A N 4.541 127.297 122.820 -0.107 0.000 1.892 62 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 62 A C 2.107 179.752 177.584 0.102 0.000 1.188 62 A CA 2.408 54.487 52.037 0.071 0.000 0.631 62 A CB -1.769 17.200 19.000 -0.052 0.000 0.822 62 A HN 0.588 nan 8.150 nan 0.000 0.447 63 N N -1.797 116.921 118.700 0.029 0.000 2.348 63 N HA -0.177 4.562 4.740 -0.000 0.000 0.185 63 N C 1.093 176.719 175.510 0.194 0.000 1.019 63 N CA 1.380 54.491 53.050 0.102 0.000 0.880 63 N CB -0.407 38.127 38.487 0.078 0.000 0.965 63 N HN 0.565 nan 8.380 nan 0.000 0.437 64 Y N -0.716 119.637 120.300 0.088 0.000 2.511 64 Y HA 0.171 4.721 4.550 -0.000 0.000 0.279 64 Y C 0.686 176.625 175.900 0.064 0.000 1.157 64 Y CA 0.018 58.247 58.100 0.216 0.000 1.300 64 Y CB 0.162 38.799 38.460 0.295 0.000 1.052 64 Y HN -0.043 nan 8.280 nan 0.000 0.529 65 V N -1.792 118.182 119.914 0.100 0.000 3.126 65 V HA 0.617 4.737 4.120 -0.000 0.000 0.314 65 V C -0.925 175.115 176.094 -0.091 0.000 1.138 65 V CA -1.136 61.101 62.300 -0.105 0.000 1.034 65 V CB 2.217 33.880 31.823 -0.266 0.000 1.075 65 V HN -0.040 nan 8.190 nan 0.000 0.442 66 Q N 1.451 121.102 119.800 -0.248 0.000 2.275 66 Q HA 0.391 4.731 4.340 -0.000 0.000 0.266 66 Q C -0.658 175.099 176.000 -0.405 0.000 1.002 66 Q CA -0.655 55.020 55.803 -0.214 0.000 0.761 66 Q CB 1.916 30.554 28.738 -0.166 0.000 1.255 66 Q HN 0.941 nan 8.270 nan 0.000 0.446 67 K N 3.477 123.575 120.400 -0.503 0.000 2.524 67 K HA -0.016 4.304 4.320 -0.000 0.000 0.279 67 K C -0.691 175.673 176.600 -0.393 0.000 0.993 67 K CA 0.184 56.093 56.287 -0.629 0.000 1.030 67 K CB 0.636 32.791 32.500 -0.575 0.000 0.891 67 K HN 0.614 nan 8.250 nan 0.000 0.488 68 R N 3.233 123.474 120.500 -0.433 0.000 2.338 68 R HA 0.149 4.489 4.340 -0.000 0.000 0.317 68 R C -0.877 175.284 176.300 -0.232 0.000 0.968 68 R CA -0.425 55.406 56.100 -0.449 0.000 0.849 68 R CB 0.884 30.758 30.300 -0.709 0.000 1.128 68 R HN 0.921 nan 8.270 nan 0.000 0.448 69 E N 2.447 122.638 120.200 -0.015 0.000 2.456 69 E HA 0.419 4.769 4.350 -0.000 0.000 0.276 69 E C -0.725 176.068 176.600 0.321 0.000 0.981 69 E CA -1.407 55.066 56.400 0.121 0.000 0.814 69 E CB 1.023 30.754 29.700 0.053 0.000 1.382 69 E HN 0.587 nan 8.360 nan 0.000 0.459 70 G N -0.006 108.914 108.800 0.200 0.000 2.441 70 G HA2 0.369 4.329 3.960 -0.000 0.000 0.243 70 G HA3 0.369 4.329 3.960 -0.000 0.000 0.243 70 G C -0.491 174.441 174.900 0.055 0.000 1.281 70 G CA -0.493 44.693 45.100 0.144 0.000 0.854 70 G HN 0.199 nan 8.290 nan 0.000 0.560 71 V N 2.944 122.821 119.914 -0.061 0.000 2.293 71 V HA 0.218 4.338 4.120 -0.000 0.000 0.275 71 V C 0.740 176.743 176.094 -0.152 0.000 1.021 71 V CA -0.486 61.702 62.300 -0.187 0.000 0.815 71 V CB 1.206 32.734 31.823 -0.491 0.000 1.025 71 V HN 0.904 nan 8.190 nan 0.000 0.448 72 K N 3.110 123.456 120.400 -0.090 0.000 2.400 72 K HA 0.171 4.491 4.320 -0.000 0.000 0.194 72 K C 2.134 178.698 176.600 -0.060 0.000 1.033 72 K CA 0.774 57.032 56.287 -0.048 0.000 1.021 72 K CB 0.178 32.669 32.500 -0.015 0.000 0.808 72 K HN 0.727 nan 8.250 nan 0.000 0.505 73 A N 2.022 124.785 122.820 -0.096 0.000 1.985 73 A HA -0.219 4.101 4.320 -0.000 0.000 0.223 73 A C 1.637 179.186 177.584 -0.059 0.000 1.189 73 A CA 2.152 54.140 52.037 -0.082 0.000 0.658 73 A CB -1.207 17.725 19.000 -0.112 0.000 0.820 73 A HN 0.497 nan 8.150 nan 0.000 0.464 74 G N -1.895 106.867 108.800 -0.063 0.000 2.596 74 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.304 74 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.304 74 G C 1.198 176.080 174.900 -0.031 0.000 1.189 74 G CA 1.995 47.071 45.100 -0.040 0.000 0.986 74 G HN 1.627 nan 8.290 nan 0.000 0.548 75 T N -1.009 113.527 114.554 -0.029 0.000 3.160 75 T HA 0.274 4.624 4.350 -0.000 0.000 0.257 75 T C 1.581 176.266 174.700 -0.025 0.000 1.147 75 T CA 1.673 63.757 62.100 -0.026 0.000 1.064 75 T CB 0.051 68.900 68.868 -0.031 0.000 0.949 75 T HN 0.582 nan 8.240 nan 0.000 0.526 76 K N 0.504 120.885 120.400 -0.031 0.000 2.417 76 K HA 0.319 4.639 4.320 -0.000 0.000 0.196 76 K C 0.072 176.648 176.600 -0.039 0.000 1.023 76 K CA -0.165 56.099 56.287 -0.038 0.000 1.122 76 K CB 0.089 32.564 32.500 -0.042 0.000 0.850 76 K HN 0.423 nan 8.250 nan 0.000 0.521 77 L N 0.986 122.194 121.223 -0.025 0.000 2.349 77 L HA 0.139 4.479 4.340 -0.000 0.000 0.275 77 L C 0.246 177.112 176.870 -0.007 0.000 1.115 77 L CA -0.206 54.630 54.840 -0.008 0.000 0.820 77 L CB 1.325 43.410 42.059 0.043 0.000 1.135 77 L HN -0.077 nan 8.230 nan 0.000 0.445 78 S N 2.302 117.986 115.700 -0.027 0.000 2.548 78 S HA 0.447 4.917 4.470 -0.000 0.000 0.276 78 S C 0.328 174.872 174.600 -0.093 0.000 1.129 78 S CA -0.713 57.447 58.200 -0.067 0.000 0.931 78 S CB 1.379 64.510 63.200 -0.115 0.000 1.068 78 S HN 0.600 nan 8.310 nan 0.000 0.480 79 L N 3.378 124.541 121.223 -0.099 0.000 2.599 79 L HA 0.318 4.658 4.340 -0.000 0.000 0.230 79 L C 0.260 176.966 176.870 -0.272 0.000 1.141 79 L CA 0.610 55.392 54.840 -0.098 0.000 0.877 79 L CB -0.174 41.861 42.059 -0.039 0.000 1.009 79 L HN 0.611 nan 8.230 nan 0.000 0.447 80 M N -0.636 118.671 119.600 -0.488 0.000 2.400 80 M HA 0.222 4.702 4.480 -0.000 0.000 0.241 80 M C -2.111 173.648 176.300 -0.903 0.000 1.158 80 M CA -1.211 53.404 55.300 -1.142 0.000 0.613 80 M CB 1.383 33.461 32.600 -0.869 0.000 1.615 80 M HN -0.224 nan 8.290 nan 0.000 0.371 81 P HA -0.117 nan 4.420 nan 0.000 0.215 81 P C 1.259 178.437 177.300 -0.204 0.000 1.157 81 P CA 1.343 64.225 63.100 -0.363 0.000 0.859 81 P CB -0.276 31.294 31.700 -0.216 0.000 0.786 82 W N -1.626 119.760 121.300 0.144 0.000 2.747 82 W HA 0.067 4.727 4.660 -0.000 0.000 0.244 82 W C -0.183 176.492 176.519 0.261 0.000 1.270 82 W CA -0.518 56.920 57.345 0.156 0.000 1.333 82 W CB -1.372 28.229 29.460 0.235 0.000 1.139 82 W HN -0.086 nan 8.180 nan 0.000 0.662 83 F N 3.233 123.292 119.950 0.181 0.000 2.309 83 F HA 0.326 4.853 4.527 -0.000 0.000 0.366 83 F C 1.420 177.356 175.800 0.227 0.000 1.104 83 F CA -1.233 56.924 58.000 0.262 0.000 1.179 83 F CB -0.065 38.931 39.000 -0.005 0.000 1.437 83 F HN -0.154 nan 8.300 nan 0.000 0.528 84 H N 3.083 121.884 119.070 -0.448 0.000 2.576 84 H HA 0.421 4.977 4.556 -0.000 0.000 0.311 84 H C 1.278 176.105 175.328 -0.835 0.000 1.037 84 H CA 0.325 56.103 56.048 -0.449 0.000 1.272 84 H CB 0.001 29.626 29.762 -0.229 0.000 1.497 84 H HN 0.630 nan 8.280 nan 0.000 0.642 85 G N -0.415 108.098 108.800 -0.479 0.000 2.566 85 G HA2 0.012 3.972 3.960 -0.000 0.000 0.138 85 G HA3 0.012 3.972 3.960 -0.000 0.000 0.138 85 G C -1.256 173.579 174.900 -0.107 0.000 1.133 85 G CA -0.805 44.035 45.100 -0.433 0.000 1.037 85 G HN 0.123 nan 8.290 nan 0.000 0.491 86 K N 1.591 121.981 120.400 -0.016 0.000 2.081 86 K HA 0.338 4.658 4.320 -0.000 0.000 0.230 86 K C 0.014 176.621 176.600 0.011 0.000 1.199 86 K CA 0.254 56.558 56.287 0.027 0.000 1.130 86 K CB -0.682 31.846 32.500 0.046 0.000 1.386 86 K HN 0.458 nan 8.250 nan 0.000 0.280 87 I N -1.902 118.671 120.570 0.004 0.000 2.436 87 I HA 0.273 4.442 4.170 -0.000 0.000 0.289 87 I C 0.174 176.295 176.117 0.008 0.000 1.010 87 I CA -0.897 60.408 61.300 0.008 0.000 1.098 87 I CB 1.902 39.912 38.000 0.017 0.000 1.266 87 I HN 0.002 nan 8.210 nan 0.000 0.434 88 T N 3.920 118.483 114.554 0.014 0.000 2.934 88 T HA -0.038 4.311 4.350 -0.000 0.000 0.321 88 T C 1.396 176.105 174.700 0.015 0.000 1.080 88 T CA 0.460 62.572 62.100 0.020 0.000 1.132 88 T CB 0.405 69.287 68.868 0.023 0.000 1.039 88 T HN 0.907 nan 8.240 nan 0.000 0.543 89 R N 2.479 122.994 120.500 0.024 0.000 2.377 89 R HA 0.024 4.364 4.340 -0.000 0.000 0.207 89 R C 1.522 177.872 176.300 0.084 0.000 1.075 89 R CA 1.416 57.528 56.100 0.020 0.000 1.035 89 R CB -0.224 30.125 30.300 0.081 0.000 0.857 89 R HN 0.657 nan 8.270 nan 0.000 0.475 90 E N 1.170 121.408 120.200 0.064 0.000 2.065 90 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 90 E C 1.534 178.158 176.600 0.040 0.000 0.960 90 E CA 1.056 57.493 56.400 0.062 0.000 0.824 90 E CB -0.106 29.619 29.700 0.043 0.000 0.793 90 E HN 0.639 nan 8.360 nan 0.000 0.459 91 Q N 0.132 119.947 119.800 0.025 0.000 2.561 91 Q HA 0.010 4.350 4.340 -0.000 0.000 0.217 91 Q C 1.328 177.344 176.000 0.026 0.000 0.980 91 Q CA 1.085 56.899 55.803 0.018 0.000 0.927 91 Q CB 0.131 28.878 28.738 0.016 0.000 0.980 91 Q HN 0.178 nan 8.270 nan 0.000 0.525 92 A N 1.188 124.021 122.820 0.022 0.000 1.993 92 A HA 0.026 4.346 4.320 -0.000 0.000 0.207 92 A C 1.686 179.290 177.584 0.034 0.000 1.224 92 A CA 0.269 52.306 52.037 0.000 0.000 0.749 92 A CB 0.150 19.113 19.000 -0.061 0.000 0.884 92 A HN 0.363 nan 8.150 nan 0.000 0.467 93 E N 0.288 120.533 120.200 0.076 0.000 2.268 93 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 93 E C 1.950 178.623 176.600 0.122 0.000 0.995 93 E CA 1.230 57.706 56.400 0.126 0.000 0.836 93 E CB -0.140 29.655 29.700 0.157 0.000 0.763 93 E HN 0.753 nan 8.360 nan 0.000 0.491 94 R N 0.432 120.975 120.500 0.072 0.000 2.276 94 R HA 0.047 4.387 4.340 -0.000 0.000 0.196 94 R C 1.770 178.121 176.300 0.085 0.000 0.961 94 R CA 0.434 56.558 56.100 0.040 0.000 1.024 94 R CB -0.134 30.136 30.300 -0.051 0.000 0.940 94 R HN 0.116 nan 8.270 nan 0.000 0.480 95 L N 0.217 121.489 121.223 0.081 0.000 2.446 95 L HA 0.127 4.467 4.340 -0.000 0.000 0.219 95 L C 0.568 177.491 176.870 0.088 0.000 1.116 95 L CA 0.314 55.206 54.840 0.086 0.000 0.844 95 L CB 0.198 42.306 42.059 0.082 0.000 0.970 95 L HN 0.161 nan 8.230 nan 0.000 0.457 96 L N -2.036 119.247 121.223 0.100 0.000 3.202 96 L HA 0.104 4.444 4.340 -0.000 0.000 0.278 96 L C 1.260 178.211 176.870 0.134 0.000 1.268 96 L CA 0.073 54.966 54.840 0.088 0.000 1.034 96 L CB -0.405 41.694 42.059 0.066 0.000 1.407 96 L HN -0.014 nan 8.230 nan 0.000 0.581 97 Y N 2.293 122.606 120.300 0.022 0.000 2.040 97 Y HA -0.132 4.418 4.550 -0.000 0.000 0.275 97 Y C -1.078 174.832 175.900 0.017 0.000 1.171 97 Y CA 0.684 58.796 58.100 0.021 0.000 1.123 97 Y CB -1.315 37.156 38.460 0.019 0.000 0.963 97 Y HN 0.165 nan 8.280 nan 0.000 0.493 98 P HA 0.117 nan 4.420 nan 0.000 0.269 98 P C -2.575 174.656 177.300 -0.116 0.000 1.263 98 P CA -0.945 62.030 63.100 -0.208 0.000 0.813 98 P CB 0.545 32.193 31.700 -0.088 0.000 0.868 99 P HA -0.060 nan 4.420 nan 0.000 0.243 99 P C -0.273 177.002 177.300 -0.041 0.000 1.134 99 P CA 0.755 63.814 63.100 -0.069 0.000 1.109 99 P CB -0.110 31.544 31.700 -0.077 0.000 1.140 100 E N 2.098 122.286 120.200 -0.020 0.000 2.165 100 E HA 0.212 4.561 4.350 -0.000 0.000 0.266 100 E C -0.581 176.022 176.600 0.005 0.000 0.889 100 E CA -0.636 55.758 56.400 -0.010 0.000 0.756 100 E CB 0.738 30.432 29.700 -0.009 0.000 1.131 100 E HN 0.096 nan 8.360 nan 0.000 0.411 101 T N 3.865 118.423 114.554 0.006 0.000 2.933 101 T HA 0.340 4.690 4.350 -0.000 0.000 0.263 101 T C 0.827 175.541 174.700 0.024 0.000 0.925 101 T CA 0.708 62.816 62.100 0.013 0.000 1.156 101 T CB 0.215 69.088 68.868 0.007 0.000 0.916 101 T HN 0.828 nan 8.240 nan 0.000 0.601 102 G N 2.374 111.198 108.800 0.040 0.000 2.624 102 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.190 102 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.190 102 G C -0.003 174.973 174.900 0.127 0.000 1.008 102 G CA -0.791 44.354 45.100 0.074 0.000 0.731 102 G HN 0.590 nan 8.290 nan 0.000 0.478 103 L N 2.480 123.739 121.223 0.060 0.000 2.490 103 L HA 0.587 4.927 4.340 -0.000 0.000 0.274 103 L C 0.260 177.174 176.870 0.073 0.000 1.201 103 L CA 0.487 55.325 54.840 -0.002 0.000 0.869 103 L CB -0.299 41.747 42.059 -0.022 0.000 1.123 103 L HN 0.449 nan 8.230 nan 0.000 0.484 104 F N 5.133 125.077 119.950 -0.010 0.000 2.650 104 F HA 0.782 5.309 4.527 -0.000 0.000 0.320 104 F C -1.588 174.198 175.800 -0.022 0.000 1.091 104 F CA -1.329 56.645 58.000 -0.042 0.000 0.962 104 F CB 1.208 40.147 39.000 -0.102 0.000 1.363 104 F HN 0.298 nan 8.300 nan 0.000 0.482 105 L N 1.792 123.159 121.223 0.240 0.000 2.518 105 L HA 0.722 5.062 4.340 -0.000 0.000 0.257 105 L C -1.834 175.106 176.870 0.117 0.000 0.980 105 L CA -0.785 54.107 54.840 0.087 0.000 0.837 105 L CB 2.416 44.372 42.059 -0.171 0.000 1.410 105 L HN 0.697 nan 8.230 nan 0.000 0.410 106 V N 4.249 124.256 119.914 0.156 0.000 2.483 106 V HA 0.607 4.727 4.120 -0.000 0.000 0.297 106 V C -0.176 175.980 176.094 0.103 0.000 1.027 106 V CA -0.698 61.711 62.300 0.181 0.000 0.855 106 V CB 1.981 34.017 31.823 0.355 0.000 0.995 106 V HN 0.861 nan 8.190 nan 0.000 0.424 107 R N 3.177 123.724 120.500 0.079 0.000 2.854 107 R HA 0.715 5.055 4.340 -0.000 0.000 0.271 107 R C -0.597 175.851 176.300 0.246 0.000 0.996 107 R CA -0.810 55.320 56.100 0.050 0.000 0.961 107 R CB 2.348 32.637 30.300 -0.018 0.000 1.182 107 R HN 0.586 nan 8.270 nan 0.000 0.479 117 T N 3.213 117.928 114.554 0.268 0.000 2.971 117 T HA 0.377 4.727 4.350 -0.000 0.000 0.304 117 T C -1.753 173.008 174.700 0.102 0.000 1.038 117 T CA -0.645 61.549 62.100 0.157 0.000 1.007 117 T CB 1.837 70.753 68.868 0.081 0.000 1.055 117 T HN 0.408 nan 8.240 nan 0.000 0.451 118 L N 3.740 125.023 121.223 0.099 0.000 2.264 118 L HA 0.583 4.923 4.340 -0.000 0.000 0.287 118 L C -0.806 176.093 176.870 0.049 0.000 1.039 118 L CA -0.537 54.313 54.840 0.018 0.000 0.829 118 L CB -0.336 41.681 42.059 -0.071 0.000 1.211 118 L HN 0.815 nan 8.230 nan 0.000 0.427 119 C N 5.268 124.587 119.300 0.033 0.000 2.239 119 C HA 0.648 5.108 4.460 -0.000 0.000 0.323 119 C C 0.153 175.201 174.990 0.096 0.000 1.205 119 C CA -1.134 57.931 59.018 0.078 0.000 1.584 119 C CB -0.158 27.562 27.740 -0.034 0.000 2.201 119 C HN 0.562 nan 8.230 nan 0.000 0.475 120 V N 3.076 123.041 119.914 0.084 0.000 2.417 120 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 120 V C 0.446 176.590 176.094 0.084 0.000 1.024 120 V CA -0.059 62.282 62.300 0.068 0.000 0.861 120 V CB 1.965 33.753 31.823 -0.057 0.000 0.985 120 V HN 0.853 nan 8.190 nan 0.000 0.436 121 S N 4.210 119.958 115.700 0.080 0.000 2.423 121 S HA 0.243 4.713 4.470 -0.000 0.000 0.302 121 S C -0.190 174.436 174.600 0.043 0.000 1.143 121 S CA -0.301 57.937 58.200 0.063 0.000 1.080 121 S CB -0.600 62.629 63.200 0.048 0.000 1.081 121 S HN 0.817 nan 8.310 nan 0.000 0.522 122 c N 4.277 122.903 118.600 0.043 0.000 2.493 122 c HA 0.480 5.050 4.570 -0.000 0.000 0.326 122 c C 0.856 174.959 174.090 0.022 0.000 1.200 122 c CA -0.632 55.714 56.329 0.029 0.000 1.739 122 c CB 1.100 43.630 42.510 0.034 0.000 2.300 122 c HN 1.036 nan 8.230 nan 0.000 0.500 123 E N 0.761 120.969 120.200 0.013 0.000 2.449 123 E HA -0.277 4.073 4.350 -0.000 0.000 0.244 123 E C 0.841 177.443 176.600 0.003 0.000 1.306 123 E CA 0.987 57.391 56.400 0.007 0.000 0.712 123 E CB -1.810 27.894 29.700 0.008 0.000 1.239 123 E HN 1.813 nan 8.360 nan 0.000 0.400 124 G N -0.063 108.739 108.800 0.003 0.000 2.141 124 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.242 124 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.242 124 G C -0.014 174.889 174.900 0.005 0.000 0.982 124 G CA 0.518 45.615 45.100 -0.004 0.000 0.662 124 G HN 0.606 nan 8.290 nan 0.000 0.527 125 K N -0.054 120.356 120.400 0.018 0.000 2.385 125 K HA 0.660 4.980 4.320 -0.000 0.000 0.248 125 K C 0.516 177.145 176.600 0.048 0.000 0.955 125 K CA -0.488 55.813 56.287 0.024 0.000 0.816 125 K CB 2.220 34.727 32.500 0.012 0.000 1.250 125 K HN 0.541 nan 8.250 nan 0.000 0.434 126 V N 1.357 121.302 119.914 0.050 0.000 2.276 126 V HA 0.292 4.412 4.120 -0.000 0.000 0.249 126 V C -0.223 175.932 176.094 0.101 0.000 1.160 126 V CA -0.571 61.793 62.300 0.107 0.000 1.042 126 V CB 0.153 32.061 31.823 0.142 0.000 1.224 126 V HN 0.582 nan 8.190 nan 0.000 0.496 127 E N 3.239 123.548 120.200 0.183 0.000 2.316 127 E HA 0.299 4.649 4.350 -0.000 0.000 0.275 127 E C -0.379 176.507 176.600 0.477 0.000 1.029 127 E CA 0.115 56.664 56.400 0.249 0.000 0.871 127 E CB 0.780 30.689 29.700 0.348 0.000 1.022 127 E HN 0.825 nan 8.360 nan 0.000 0.418 128 H N 2.965 122.129 119.070 0.157 0.000 2.685 128 H HA 0.219 4.775 4.556 -0.000 0.000 0.307 128 H C -0.852 174.565 175.328 0.148 0.000 1.017 128 H CA -0.639 55.501 56.048 0.154 0.000 1.237 128 H CB 0.525 30.329 29.762 0.071 0.000 1.409 128 H HN 0.345 nan 8.280 nan 0.000 0.488 129 Y N 2.383 122.742 120.300 0.098 0.000 2.353 129 Y HA 0.231 4.781 4.550 -0.000 0.000 0.340 129 Y C 0.608 176.546 175.900 0.063 0.000 0.972 129 Y CA -0.939 57.191 58.100 0.050 0.000 1.157 129 Y CB 0.649 39.106 38.460 -0.004 0.000 1.157 129 Y HN 0.418 nan 8.280 nan 0.000 0.495 130 R N 4.143 124.742 120.500 0.165 0.000 2.389 130 R HA 0.412 4.752 4.340 -0.000 0.000 0.295 130 R C -0.811 175.590 176.300 0.167 0.000 1.075 130 R CA -0.192 55.995 56.100 0.144 0.000 1.005 130 R CB 0.620 30.976 30.300 0.093 0.000 0.987 130 R HN 0.604 nan 8.270 nan 0.000 0.452 131 I N 4.372 125.059 120.570 0.195 0.000 2.312 131 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 131 I C 0.280 176.530 176.117 0.222 0.000 1.008 131 I CA -0.345 61.088 61.300 0.221 0.000 1.226 131 I CB 1.225 39.385 38.000 0.267 0.000 1.371 131 I HN 0.408 nan 8.210 nan 0.000 0.468 132 M N 6.030 125.749 119.600 0.199 0.000 2.216 132 M HA 0.177 4.656 4.480 -0.000 0.000 0.356 132 M C -0.675 175.807 176.300 0.304 0.000 1.205 132 M CA -0.283 55.137 55.300 0.200 0.000 1.122 132 M CB 0.948 33.633 32.600 0.140 0.000 1.571 132 M HN 0.437 nan 8.290 nan 0.000 0.464 133 Y N 3.034 123.414 120.300 0.132 0.000 2.635 133 Y HA 0.335 4.885 4.550 -0.000 0.000 0.373 133 Y C -1.110 174.886 175.900 0.159 0.000 1.000 133 Y CA -0.852 57.328 58.100 0.134 0.000 1.219 133 Y CB -0.268 38.219 38.460 0.046 0.000 1.294 133 Y HN 0.584 nan 8.280 nan 0.000 0.612 134 H N 2.340 121.372 119.070 -0.063 0.000 2.458 134 H HA 0.585 5.141 4.556 -0.000 0.000 0.330 134 H C 0.370 175.601 175.328 -0.162 0.000 1.111 134 H CA -0.084 55.888 56.048 -0.126 0.000 1.245 134 H CB 1.517 31.274 29.762 -0.008 0.000 1.456 134 H HN 0.516 nan 8.280 nan 0.000 0.488 135 A N 3.238 125.713 122.820 -0.574 0.000 2.519 135 A HA -0.209 4.111 4.320 -0.000 0.000 0.297 135 A C 1.060 178.486 177.584 -0.263 0.000 1.472 135 A CA 1.028 52.827 52.037 -0.398 0.000 0.739 135 A CB -2.381 16.449 19.000 -0.284 0.000 1.096 135 A HN 1.267 nan 8.150 nan 0.000 0.414 136 S N -1.642 113.844 115.700 -0.358 0.000 3.477 136 S HA -0.208 4.261 4.470 -0.000 0.000 0.357 136 S C 0.221 174.813 174.600 -0.012 0.000 1.083 136 S CA 1.994 60.080 58.200 -0.190 0.000 1.042 136 S CB -0.837 62.313 63.200 -0.082 0.000 0.911 136 S HN 1.048 nan 8.310 nan 0.000 0.490 137 K N -0.229 120.169 120.400 -0.004 0.000 2.482 137 K HA 0.677 4.997 4.320 -0.000 0.000 0.257 137 K C -0.493 176.314 176.600 0.346 0.000 0.969 137 K CA -0.580 55.824 56.287 0.195 0.000 0.842 137 K CB 1.638 34.240 32.500 0.170 0.000 1.359 137 K HN 0.148 nan 8.250 nan 0.000 0.441 138 L N 0.747 122.202 121.223 0.387 0.000 2.341 138 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 138 L C -0.073 176.983 176.870 0.308 0.000 1.005 138 L CA -0.600 54.476 54.840 0.392 0.000 0.818 138 L CB 1.987 44.278 42.059 0.386 0.000 1.259 138 L HN 0.599 nan 8.230 nan 0.000 0.418 139 S N 1.664 117.483 115.700 0.200 0.000 2.567 139 S HA 0.621 5.091 4.470 -0.000 0.000 0.270 139 S C -0.086 174.557 174.600 0.072 0.000 1.152 139 S CA -0.454 57.741 58.200 -0.009 0.000 0.835 139 S CB 1.560 64.441 63.200 -0.532 0.000 1.115 139 S HN 0.559 nan 8.310 nan 0.000 0.459 140 I N 0.841 121.462 120.570 0.085 0.000 3.570 140 I HA 0.174 4.344 4.170 -0.000 0.000 0.270 140 I C 1.017 177.173 176.117 0.064 0.000 1.162 140 I CA 0.155 61.540 61.300 0.142 0.000 1.413 140 I CB 0.054 38.224 38.000 0.282 0.000 1.437 140 I HN 0.752 nan 8.210 nan 0.000 0.457 141 D N 0.867 121.289 120.400 0.037 0.000 2.328 141 D HA -0.049 4.591 4.640 -0.000 0.000 0.221 141 D C 0.420 176.674 176.300 -0.077 0.000 1.072 141 D CA 0.142 54.143 54.000 0.002 0.000 0.850 141 D CB -0.230 40.598 40.800 0.048 0.000 0.922 141 D HN 0.340 nan 8.370 nan 0.000 0.516 142 E N -0.638 119.444 120.200 -0.197 0.000 3.065 142 E HA -0.301 4.049 4.350 -0.000 0.000 0.277 142 E C 0.468 176.970 176.600 -0.164 0.000 1.008 142 E CA 1.210 57.477 56.400 -0.222 0.000 0.864 142 E CB -0.913 28.782 29.700 -0.008 0.000 1.439 142 E HN 0.582 nan 8.360 nan 0.000 0.445 143 E N -0.770 119.291 120.200 -0.232 0.000 2.288 143 E HA 0.093 4.443 4.350 -0.000 0.000 0.200 143 E C 0.097 176.629 176.600 -0.114 0.000 0.880 143 E CA 0.567 56.931 56.400 -0.059 0.000 0.971 143 E CB 0.883 30.574 29.700 -0.014 0.000 0.954 143 E HN -0.001 nan 8.360 nan 0.000 0.489 144 V N 1.870 121.587 119.914 -0.328 0.000 2.459 144 V HA 0.345 4.465 4.120 -0.000 0.000 0.295 144 V C -0.948 174.612 176.094 -0.890 0.000 1.029 144 V CA -0.781 61.245 62.300 -0.457 0.000 0.874 144 V CB 0.468 32.000 31.823 -0.486 0.000 0.985 144 V HN 0.072 nan 8.190 nan 0.000 0.438 145 Y N 3.359 123.188 120.300 -0.786 0.000 2.621 145 Y HA 0.859 5.409 4.550 -0.000 0.000 0.334 145 Y C -0.393 174.791 175.900 -1.192 0.000 1.074 145 Y CA -1.163 56.492 58.100 -0.741 0.000 1.149 145 Y CB 1.845 40.123 38.460 -0.302 0.000 1.302 145 Y HN 0.536 nan 8.280 nan 0.000 0.501 146 F N -1.383 118.625 119.950 0.096 0.000 2.645 146 F HA 0.374 4.901 4.527 -0.000 0.000 0.310 146 F C 0.491 176.344 175.800 0.088 0.000 1.102 146 F CA -1.086 56.931 58.000 0.029 0.000 0.952 146 F CB 1.781 40.740 39.000 -0.068 0.000 1.326 146 F HN 0.444 nan 8.300 nan 0.000 0.456 147 E N 0.438 120.789 120.200 0.252 0.000 2.318 147 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 147 E C -0.542 176.166 176.600 0.181 0.000 0.998 147 E CA 0.457 56.971 56.400 0.191 0.000 0.859 147 E CB 0.088 29.866 29.700 0.131 0.000 0.812 147 E HN 0.639 nan 8.360 nan 0.000 0.492 148 N N -1.583 117.209 118.700 0.154 0.000 2.823 148 N HA 0.144 4.884 4.740 -0.000 0.000 0.251 148 N C -0.030 175.474 175.510 -0.009 0.000 1.392 148 N CA -0.652 52.438 53.050 0.066 0.000 0.864 148 N CB 0.589 39.098 38.487 0.036 0.000 1.481 148 N HN -0.210 nan 8.380 nan 0.000 0.508 149 L N -0.161 121.012 121.223 -0.083 0.000 2.079 149 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 149 L C 2.125 178.913 176.870 -0.137 0.000 1.081 149 L CA 1.451 56.192 54.840 -0.165 0.000 0.752 149 L CB -0.442 41.502 42.059 -0.192 0.000 0.896 149 L HN 0.629 nan 8.230 nan 0.000 0.433 150 M N -0.896 118.742 119.600 0.062 0.000 2.065 150 M HA -0.299 4.181 4.480 -0.000 0.000 0.259 150 M C 2.445 178.711 176.300 -0.056 0.000 1.069 150 M CA 1.903 57.288 55.300 0.142 0.000 1.110 150 M CB -0.447 32.241 32.600 0.146 0.000 1.328 150 M HN 0.284 nan 8.290 nan 0.000 0.405 151 Q N 0.685 120.439 119.800 -0.076 0.000 2.061 151 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 151 Q C 2.078 177.824 176.000 -0.424 0.000 0.984 151 Q CA 1.558 57.304 55.803 -0.095 0.000 0.846 151 Q CB -0.203 28.579 28.738 0.074 0.000 0.902 151 Q HN 0.569 nan 8.270 nan 0.000 0.421 152 L N -0.004 120.745 121.223 -0.790 0.000 1.970 152 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 152 L C 2.328 178.594 176.870 -1.007 0.000 1.071 152 L CA 1.468 55.334 54.840 -1.623 0.000 0.751 152 L CB -0.428 40.979 42.059 -1.087 0.000 0.889 152 L HN 0.154 nan 8.230 nan 0.000 0.432 153 V N 0.321 119.803 119.914 -0.719 0.000 2.324 153 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 153 V C 2.507 178.320 176.094 -0.468 0.000 1.060 153 V CA 2.308 64.180 62.300 -0.713 0.000 1.042 153 V CB -0.719 30.506 31.823 -0.997 0.000 0.650 153 V HN 0.633 nan 8.190 nan 0.000 0.450 154 E N -0.495 119.520 120.200 -0.308 0.000 2.085 154 E HA -0.312 4.037 4.350 -0.000 0.000 0.194 154 E C 2.341 178.843 176.600 -0.164 0.000 0.994 154 E CA 1.597 57.894 56.400 -0.171 0.000 0.801 154 E CB -0.348 29.297 29.700 -0.091 0.000 0.743 154 E HN 0.767 nan 8.360 nan 0.000 0.453 155 H N -0.204 118.673 119.070 -0.321 0.000 2.321 155 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 155 H C 1.195 176.421 175.328 -0.169 0.000 1.087 155 H CA 1.798 57.701 56.048 -0.241 0.000 1.319 155 H CB -0.372 29.230 29.762 -0.267 0.000 1.379 155 H HN 0.413 nan 8.280 nan 0.000 0.501 156 Y N 0.253 120.500 120.300 -0.088 0.000 2.553 156 Y HA -0.031 4.519 4.550 -0.000 0.000 0.303 156 Y C 1.969 177.708 175.900 -0.269 0.000 1.194 156 Y CA 0.212 58.216 58.100 -0.160 0.000 1.305 156 Y CB 0.516 38.819 38.460 -0.262 0.000 1.045 156 Y HN 0.225 nan 8.280 nan 0.000 0.514 157 T N -1.821 112.660 114.554 -0.121 0.000 3.046 157 T HA -0.057 4.293 4.350 -0.000 0.000 0.242 157 T C 1.838 176.488 174.700 -0.084 0.000 1.018 157 T CA 1.186 63.210 62.100 -0.127 0.000 1.131 157 T CB -0.005 68.787 68.868 -0.126 0.000 0.904 157 T HN 0.199 nan 8.240 nan 0.000 0.459 158 T N 1.293 115.781 114.554 -0.110 0.000 2.896 158 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 158 T C 1.426 176.060 174.700 -0.109 0.000 1.050 158 T CA 0.852 62.890 62.100 -0.103 0.000 1.140 158 T CB 0.056 68.852 68.868 -0.119 0.000 0.877 158 T HN 0.224 nan 8.240 nan 0.000 0.457 159 D N -0.345 119.963 120.400 -0.154 0.000 2.932 159 D HA 0.365 5.005 4.640 -0.000 0.000 0.294 159 D C 0.202 176.479 176.300 -0.038 0.000 1.119 159 D CA 0.940 54.871 54.000 -0.116 0.000 0.980 159 D CB 0.730 41.411 40.800 -0.199 0.000 1.361 159 D HN 0.249 nan 8.370 nan 0.000 0.466 160 A N 1.636 124.479 122.820 0.037 0.000 2.109 160 A HA -0.130 4.190 4.320 -0.000 0.000 0.556 160 A C 0.216 177.825 177.584 0.043 0.000 0.434 160 A CA 0.922 52.985 52.037 0.043 0.000 0.334 160 A CB -1.028 17.933 19.000 -0.065 0.000 3.228 160 A HN 0.332 nan 8.150 nan 0.000 0.445 161 D N 2.543 122.998 120.400 0.092 0.000 2.685 161 D HA 0.238 4.878 4.640 -0.000 0.000 0.254 161 D C 2.071 178.375 176.300 0.006 0.000 1.414 161 D CA 0.701 54.758 54.000 0.095 0.000 1.145 161 D CB -0.545 40.391 40.800 0.227 0.000 0.941 161 D HN 0.959 nan 8.370 nan 0.000 0.250 162 G N 0.606 109.411 108.800 0.007 0.000 2.708 162 G HA2 0.050 4.010 3.960 -0.000 0.000 0.210 162 G HA3 0.050 4.010 3.960 -0.000 0.000 0.210 162 G C 0.798 175.705 174.900 0.013 0.000 1.141 162 G CA 0.101 45.213 45.100 0.021 0.000 0.788 162 G HN 0.075 nan 8.290 nan 0.000 0.531 163 L N 0.974 122.095 121.223 -0.170 0.000 2.380 163 L HA 0.080 4.420 4.340 -0.000 0.000 0.273 163 L C 2.206 179.001 176.870 -0.124 0.000 1.138 163 L CA -0.958 53.708 54.840 -0.290 0.000 0.832 163 L CB 1.117 42.810 42.059 -0.610 0.000 1.124 163 L HN 0.295 nan 8.230 nan 0.000 0.454 164 c N -0.079 118.494 118.600 -0.046 0.000 2.401 164 c HA -0.056 4.514 4.570 -0.000 0.000 0.276 164 c C 1.031 175.095 174.090 -0.043 0.000 1.233 164 c CA 0.165 56.489 56.329 -0.007 0.000 1.753 164 c CB -1.061 41.473 42.510 0.040 0.000 2.029 164 c HN 0.840 nan 8.230 nan 0.000 0.478 165 T N 0.924 115.427 114.554 -0.085 0.000 3.295 165 T HA 0.394 4.744 4.350 -0.000 0.000 0.331 165 T C -0.443 174.196 174.700 -0.101 0.000 1.142 165 T CA -0.614 61.446 62.100 -0.067 0.000 1.078 165 T CB 1.214 70.063 68.868 -0.031 0.000 1.150 165 T HN 0.706 nan 8.240 nan 0.000 0.465 166 R N 2.825 123.273 120.500 -0.087 0.000 2.740 166 R HA 0.183 4.523 4.340 -0.000 0.000 0.263 166 R C -0.314 175.938 176.300 -0.081 0.000 0.997 166 R CA -0.310 55.731 56.100 -0.098 0.000 1.108 166 R CB -0.002 30.262 30.300 -0.059 0.000 0.969 166 R HN 0.550 nan 8.270 nan 0.000 0.431 167 L N 3.275 124.409 121.223 -0.147 0.000 2.562 167 L HA -0.040 4.300 4.340 -0.000 0.000 0.271 167 L C 1.129 178.078 176.870 0.132 0.000 1.167 167 L CA -0.238 54.539 54.840 -0.105 0.000 0.917 167 L CB 0.140 41.763 42.059 -0.727 0.000 1.187 167 L HN 0.695 nan 8.230 nan 0.000 0.482 168 I N 2.019 122.740 120.570 0.252 0.000 3.325 168 I HA 0.101 4.271 4.170 -0.000 0.000 0.237 168 I C 0.851 177.083 176.117 0.191 0.000 1.068 168 I CA 0.825 62.228 61.300 0.173 0.000 1.511 168 I CB -0.247 37.809 38.000 0.094 0.000 1.409 168 I HN 0.565 nan 8.210 nan 0.000 0.464 169 K N 2.486 122.947 120.400 0.103 0.000 2.292 169 K HA 0.430 4.750 4.320 -0.000 0.000 0.257 169 K C -2.726 173.628 176.600 -0.410 0.000 0.940 169 K CA -1.725 54.531 56.287 -0.051 0.000 0.811 169 K CB 2.315 34.790 32.500 -0.041 0.000 1.120 169 K HN -0.147 nan 8.250 nan 0.000 0.428 170 P HA 0.130 nan 4.420 nan 0.000 0.279 170 P C -1.477 175.606 177.300 -0.361 0.000 1.239 170 P CA -0.590 62.017 63.100 -0.823 0.000 0.789 170 P CB 0.814 32.407 31.700 -0.177 0.000 0.933 171 K N 4.142 124.366 120.400 -0.294 0.000 2.180 171 K HA 0.189 4.509 4.320 -0.000 0.000 0.250 171 K C -0.725 175.951 176.600 0.126 0.000 1.135 171 K CA -0.446 55.808 56.287 -0.055 0.000 1.037 171 K CB -1.310 31.166 32.500 -0.039 0.000 1.624 171 K HN 0.131 nan 8.250 nan 0.000 0.382 172 V N 4.177 124.117 119.914 0.043 0.000 3.083 172 V HA -0.127 3.993 4.120 -0.000 0.000 0.303 172 V C 1.164 177.258 176.094 -0.000 0.000 1.151 172 V CA 0.369 62.684 62.300 0.024 0.000 1.275 172 V CB 0.096 31.901 31.823 -0.029 0.000 0.950 172 V HN 0.789 nan 8.190 nan 0.000 0.506 173 M N 2.379 121.894 119.600 -0.142 0.000 2.371 173 M HA 0.389 4.869 4.480 -0.000 0.000 0.301 173 M C 0.245 176.412 176.300 -0.221 0.000 1.173 173 M CA -0.553 54.516 55.300 -0.386 0.000 1.020 173 M CB 0.875 33.193 32.600 -0.470 0.000 1.490 173 M HN 0.624 nan 8.290 nan 0.000 0.485 174 E N 1.451 121.517 120.200 -0.224 0.000 2.465 174 E HA 0.082 4.432 4.350 -0.000 0.000 0.260 174 E C 0.395 176.932 176.600 -0.104 0.000 0.980 174 E CA 1.299 57.619 56.400 -0.133 0.000 0.927 174 E CB -0.050 29.580 29.700 -0.117 0.000 0.934 174 E HN 0.960 nan 8.360 nan 0.000 0.459 175 G N 3.442 112.196 108.800 -0.076 0.000 2.338 175 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.296 175 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.296 175 G C -0.028 174.832 174.900 -0.067 0.000 1.040 175 G CA 0.828 45.891 45.100 -0.062 0.000 1.004 175 G HN 0.454 nan 8.290 nan 0.000 0.509 176 T N -1.331 113.179 114.554 -0.073 0.000 2.916 176 T HA 0.634 4.984 4.350 -0.000 0.000 0.305 176 T C -0.472 174.187 174.700 -0.068 0.000 1.119 176 T CA -0.399 61.655 62.100 -0.077 0.000 1.008 176 T CB 2.865 71.672 68.868 -0.102 0.000 1.129 176 T HN 0.725 nan 8.240 nan 0.000 0.480 177 V N 1.560 121.436 119.914 -0.064 0.000 2.760 177 V HA 0.717 4.837 4.120 -0.000 0.000 0.309 177 V C 0.074 176.139 176.094 -0.048 0.000 1.077 177 V CA -1.289 60.978 62.300 -0.055 0.000 0.910 177 V CB 1.881 33.669 31.823 -0.058 0.000 1.008 177 V HN 1.134 nan 8.190 nan 0.000 0.424 178 A N 3.174 125.974 122.820 -0.033 0.000 2.541 178 A HA 0.555 4.875 4.320 -0.000 0.000 0.293 178 A C 1.531 179.136 177.584 0.035 0.000 1.307 178 A CA 0.540 52.573 52.037 -0.007 0.000 0.978 178 A CB -0.110 18.905 19.000 0.025 0.000 1.111 178 A HN 1.485 nan 8.150 nan 0.000 0.535 179 A N 2.892 125.749 122.820 0.062 0.000 1.859 179 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 179 A C 1.983 179.765 177.584 0.329 0.000 1.209 179 A CA 2.241 54.394 52.037 0.192 0.000 0.639 179 A CB -0.674 18.453 19.000 0.213 0.000 0.835 179 A HN 0.792 nan 8.150 nan 0.000 0.450 180 Q N -0.124 119.808 119.800 0.220 0.000 2.181 180 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 180 Q C 1.763 177.880 176.000 0.195 0.000 0.980 180 Q CA 1.578 57.495 55.803 0.190 0.000 0.862 180 Q CB -0.330 28.399 28.738 -0.015 0.000 0.905 180 Q HN 0.727 nan 8.270 nan 0.000 0.429 181 D N 0.059 120.540 120.400 0.135 0.000 2.084 181 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 181 D C 1.740 178.139 176.300 0.165 0.000 0.985 181 D CA 0.819 54.894 54.000 0.125 0.000 0.826 181 D CB 0.283 41.130 40.800 0.079 0.000 0.978 181 D HN 0.171 nan 8.370 nan 0.000 0.456 182 E N 0.187 120.442 120.200 0.091 0.000 2.023 182 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 182 E C 2.325 178.947 176.600 0.036 0.000 1.003 182 E CA 0.770 57.160 56.400 -0.016 0.000 0.809 182 E CB -0.630 28.948 29.700 -0.203 0.000 0.755 182 E HN 0.370 nan 8.360 nan 0.000 0.449 183 F N -0.173 119.888 119.950 0.185 0.000 2.095 183 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 183 F C 2.470 178.436 175.800 0.277 0.000 1.104 183 F CA 1.228 59.373 58.000 0.241 0.000 1.232 183 F CB -0.697 38.432 39.000 0.215 0.000 0.987 183 F HN 0.088 nan 8.300 nan 0.000 0.475 184 Y N 0.307 120.781 120.300 0.288 0.000 2.181 184 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 184 Y C 2.441 178.407 175.900 0.110 0.000 1.146 184 Y CA 1.297 59.499 58.100 0.170 0.000 1.164 184 Y CB -0.611 37.922 38.460 0.121 0.000 0.982 184 Y HN -0.070 nan 8.280 nan 0.000 0.515 185 R N -1.013 119.633 120.500 0.243 0.000 2.148 185 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 185 R C 1.636 177.992 176.300 0.093 0.000 1.088 185 R CA 1.274 57.456 56.100 0.136 0.000 0.985 185 R CB -0.304 30.060 30.300 0.107 0.000 0.880 185 R HN 0.130 nan 8.270 nan 0.000 0.451 186 S N -0.230 115.549 115.700 0.133 0.000 2.634 186 S HA 0.145 4.615 4.470 -0.000 0.000 0.221 186 S C 0.882 175.504 174.600 0.037 0.000 0.952 186 S CA 0.472 58.752 58.200 0.134 0.000 0.930 186 S CB 0.986 64.323 63.200 0.227 0.000 0.780 186 S HN 0.618 nan 8.310 nan 0.000 0.498 187 G N 0.784 109.552 108.800 -0.053 0.000 2.198 187 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 187 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 187 G C 0.040 174.665 174.900 -0.459 0.000 1.042 187 G CA -0.007 44.925 45.100 -0.280 0.000 0.791 187 G HN 0.668 nan 8.290 nan 0.000 0.502 188 W N 0.011 121.264 121.300 -0.078 0.000 3.005 188 W HA 0.673 5.333 4.660 -0.000 0.000 0.374 188 W C 1.273 177.669 176.519 -0.205 0.000 1.076 188 W CA -0.099 57.205 57.345 -0.068 0.000 1.794 188 W CB 0.460 29.986 29.460 0.111 0.000 1.113 188 W HN 0.638 nan 8.180 nan 0.000 0.584 189 A N 1.574 124.223 122.820 -0.286 0.000 2.401 189 A HA 0.538 4.858 4.320 -0.000 0.000 0.259 189 A C -0.320 177.094 177.584 -0.284 0.000 1.103 189 A CA 0.108 51.795 52.037 -0.583 0.000 0.789 189 A CB 0.279 18.377 19.000 -1.503 0.000 1.035 189 A HN 0.196 nan 8.150 nan 0.000 0.491 190 L N 1.755 122.871 121.223 -0.179 0.000 2.334 190 L HA 0.351 4.691 4.340 -0.000 0.000 0.270 190 L C 0.483 177.370 176.870 0.029 0.000 1.018 190 L CA -1.028 53.761 54.840 -0.085 0.000 0.811 190 L CB 1.176 43.065 42.059 -0.284 0.000 1.271 190 L HN 0.749 nan 8.230 nan 0.000 0.443 191 N N 1.797 120.607 118.700 0.183 0.000 2.402 191 N HA 0.018 4.758 4.740 -0.000 0.000 0.252 191 N C 0.583 176.227 175.510 0.223 0.000 1.118 191 N CA -0.171 52.985 53.050 0.177 0.000 0.945 191 N CB 1.106 39.687 38.487 0.158 0.000 1.147 191 N HN 0.603 nan 8.380 nan 0.000 0.495 192 M N 5.137 124.823 119.600 0.144 0.000 2.106 192 M HA -0.165 4.315 4.480 -0.000 0.000 0.259 192 M C 1.373 177.759 176.300 0.143 0.000 1.068 192 M CA 1.845 57.226 55.300 0.135 0.000 1.100 192 M CB -0.124 32.517 32.600 0.069 0.000 1.351 192 M HN 0.462 nan 8.290 nan 0.000 0.404 193 K N -0.173 120.293 120.400 0.111 0.000 2.173 193 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 193 K C 1.348 177.996 176.600 0.081 0.000 1.046 193 K CA 1.780 58.117 56.287 0.083 0.000 0.929 193 K CB -0.349 32.190 32.500 0.064 0.000 0.720 193 K HN 0.595 nan 8.250 nan 0.000 0.453 194 E N 0.367 120.632 120.200 0.109 0.000 2.463 194 E HA 0.102 4.452 4.350 -0.000 0.000 0.193 194 E C -0.099 176.570 176.600 0.116 0.000 1.041 194 E CA -0.137 56.278 56.400 0.024 0.000 0.879 194 E CB 0.362 29.965 29.700 -0.163 0.000 0.997 194 E HN 0.194 nan 8.360 nan 0.000 0.478 195 L N 1.723 123.106 121.223 0.267 0.000 2.307 195 L HA 0.395 4.735 4.340 -0.000 0.000 0.284 195 L C -0.781 176.183 176.870 0.156 0.000 1.023 195 L CA -0.532 54.497 54.840 0.315 0.000 0.810 195 L CB 1.255 43.492 42.059 0.296 0.000 1.231 195 L HN -0.157 nan 8.230 nan 0.000 0.423 196 K N 5.662 126.126 120.400 0.106 0.000 2.502 196 K HA 0.462 4.782 4.320 -0.000 0.000 0.254 196 K C -1.433 175.177 176.600 0.017 0.000 0.947 196 K CA -0.596 55.721 56.287 0.051 0.000 0.834 196 K CB 1.376 33.891 32.500 0.026 0.000 1.112 196 K HN 0.614 nan 8.250 nan 0.000 0.427 197 L N 6.818 128.044 121.223 0.004 0.000 2.278 197 L HA 0.238 4.578 4.340 -0.000 0.000 0.287 197 L C 0.485 177.325 176.870 -0.050 0.000 1.072 197 L CA -0.382 54.434 54.840 -0.040 0.000 0.819 197 L CB 0.384 42.413 42.059 -0.050 0.000 1.176 197 L HN 0.622 nan 8.230 nan 0.000 0.435 198 L N 2.488 123.668 121.223 -0.072 0.000 2.543 198 L HA 0.233 4.573 4.340 -0.000 0.000 0.181 198 L C 0.993 177.815 176.870 -0.080 0.000 1.437 198 L CA -0.590 54.207 54.840 -0.072 0.000 3.059 198 L CB -0.275 41.733 42.059 -0.085 0.000 2.916 198 L HN 0.600 nan 8.230 nan 0.000 1.037 199 Q N -0.295 119.453 119.800 -0.087 0.000 2.370 199 Q HA 0.224 4.564 4.340 -0.000 0.000 0.186 199 Q C -0.891 175.056 176.000 -0.088 0.000 1.093 199 Q CA -0.404 55.351 55.803 -0.080 0.000 1.142 199 Q CB -0.063 28.637 28.738 -0.065 0.000 1.175 199 Q HN 0.266 nan 8.270 nan 0.000 0.625 200 T N 0.896 115.406 114.554 -0.074 0.000 2.756 200 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 200 T C -0.110 174.568 174.700 -0.037 0.000 0.985 200 T CA -0.546 61.513 62.100 -0.069 0.000 0.955 200 T CB 0.204 69.026 68.868 -0.077 0.000 0.930 200 T HN 0.312 nan 8.240 nan 0.000 0.451 201 I N 4.131 124.686 120.570 -0.026 0.000 2.436 201 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 201 I C 1.154 177.280 176.117 0.016 0.000 1.083 201 I CA 0.692 62.006 61.300 0.023 0.000 1.372 201 I CB -0.023 38.014 38.000 0.062 0.000 1.408 201 I HN 0.919 nan 8.210 nan 0.000 0.516 202 G N 5.558 114.374 108.800 0.025 0.000 2.298 202 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.309 202 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.309 202 G C -0.166 174.744 174.900 0.018 0.000 1.279 202 G CA -0.542 44.570 45.100 0.021 0.000 1.042 202 G HN 0.476 nan 8.290 nan 0.000 0.480 203 K N 0.436 120.848 120.400 0.020 0.000 2.005 203 K HA 0.422 4.742 4.320 -0.000 0.000 0.214 203 K C 2.345 178.960 176.600 0.025 0.000 1.030 203 K CA 1.239 57.540 56.287 0.023 0.000 0.955 203 K CB -1.173 31.343 32.500 0.027 0.000 0.767 203 K HN 1.013 nan 8.250 nan 0.000 0.446 204 G N 0.518 109.342 108.800 0.039 0.000 2.190 204 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.295 204 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.295 204 G C 0.529 175.449 174.900 0.033 0.000 1.507 204 G CA 0.531 45.668 45.100 0.062 0.000 1.034 204 G HN 0.352 nan 8.290 nan 0.000 0.483 205 E N -2.081 118.144 120.200 0.042 0.000 2.626 205 E HA 0.083 4.432 4.350 -0.000 0.000 0.198 205 E C 0.745 177.182 176.600 -0.272 0.000 0.943 205 E CA -0.064 56.259 56.400 -0.128 0.000 1.515 205 E CB 0.554 30.128 29.700 -0.210 0.000 1.677 205 E HN 0.329 nan 8.360 nan 0.000 0.897 206 F N 1.296 121.235 119.950 -0.017 0.000 2.837 206 F HA 0.378 4.905 4.527 -0.000 0.000 0.298 206 F C 1.252 177.035 175.800 -0.028 0.000 1.161 206 F CA -0.316 57.672 58.000 -0.019 0.000 1.353 206 F CB 0.729 39.721 39.000 -0.012 0.000 0.951 206 F HN -0.155 nan 8.300 nan 0.000 0.508 207 G N 0.076 108.912 108.800 0.059 0.000 2.572 207 G HA2 0.212 4.172 3.960 -0.000 0.000 0.261 207 G HA3 0.212 4.172 3.960 -0.000 0.000 0.261 207 G C 0.266 175.148 174.900 -0.030 0.000 1.197 207 G CA -0.428 44.681 45.100 0.016 0.000 0.870 207 G HN 0.358 nan 8.290 nan 0.000 0.548 208 D N -1.669 118.693 120.400 -0.062 0.000 2.339 208 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 208 D C 0.424 176.632 176.300 -0.152 0.000 1.050 208 D CA -0.119 53.814 54.000 -0.111 0.000 0.856 208 D CB 0.395 41.108 40.800 -0.146 0.000 0.922 208 D HN 0.128 nan 8.370 nan 0.000 0.518 209 V N 1.051 120.893 119.914 -0.120 0.000 2.448 209 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 209 V C -0.228 175.804 176.094 -0.104 0.000 1.025 209 V CA -0.518 61.712 62.300 -0.116 0.000 0.859 209 V CB 1.567 33.347 31.823 -0.071 0.000 0.988 209 V HN 0.149 nan 8.190 nan 0.000 0.431 210 M N 4.523 124.044 119.600 -0.132 0.000 2.644 210 M HA 0.572 5.052 4.480 -0.000 0.000 0.304 210 M C -1.227 174.995 176.300 -0.130 0.000 1.215 210 M CA -0.919 54.304 55.300 -0.129 0.000 0.871 210 M CB 2.584 35.087 32.600 -0.161 0.000 1.740 210 M HN 0.524 nan 8.290 nan 0.000 0.464 211 L N 1.176 122.308 121.223 -0.153 0.000 2.312 211 L HA 0.874 5.214 4.340 -0.000 0.000 0.281 211 L C -0.227 176.523 176.870 -0.200 0.000 1.070 211 L CA 0.463 55.151 54.840 -0.253 0.000 0.805 211 L CB 1.250 43.086 42.059 -0.371 0.000 1.174 211 L HN 0.736 nan 8.230 nan 0.000 0.434 212 G N 2.661 111.350 108.800 -0.185 0.000 2.866 212 G HA2 0.378 4.338 3.960 -0.000 0.000 0.289 212 G HA3 0.378 4.338 3.960 -0.000 0.000 0.289 212 G C -1.990 172.871 174.900 -0.064 0.000 1.396 212 G CA -0.475 44.565 45.100 -0.099 0.000 0.848 212 G HN 0.622 nan 8.290 nan 0.000 0.515 213 D N -1.138 119.264 120.400 0.003 0.000 2.646 213 D HA 0.505 5.145 4.640 -0.000 0.000 0.245 213 D C -1.950 174.428 176.300 0.130 0.000 1.099 213 D CA -0.398 53.622 54.000 0.034 0.000 0.849 213 D CB 2.550 43.351 40.800 0.001 0.000 1.448 213 D HN 0.209 nan 8.370 nan 0.000 0.489 214 Y N 3.917 124.213 120.300 -0.007 0.000 2.354 214 Y HA 0.277 4.827 4.550 -0.000 0.000 0.330 214 Y C 0.220 176.125 175.900 0.008 0.000 1.011 214 Y CA -0.681 57.423 58.100 0.006 0.000 1.099 214 Y CB 0.878 39.347 38.460 0.015 0.000 1.179 214 Y HN 0.463 nan 8.280 nan 0.000 0.442 215 R N 3.835 124.027 120.500 -0.514 0.000 3.758 215 R HA -0.202 4.138 4.340 -0.000 0.000 0.299 215 R C 0.891 177.112 176.300 -0.133 0.000 1.182 215 R CA 1.220 57.111 56.100 -0.347 0.000 0.809 215 R CB -1.931 28.164 30.300 -0.342 0.000 1.249 215 R HN 1.650 nan 8.270 nan 0.000 0.497 216 G N -0.469 108.280 108.800 -0.084 0.000 2.141 216 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 216 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 216 G C -0.130 174.769 174.900 -0.002 0.000 0.982 216 G CA 0.295 45.374 45.100 -0.035 0.000 0.662 216 G HN 0.566 nan 8.290 nan 0.000 0.527 217 N N -0.175 118.538 118.700 0.023 0.000 2.262 217 N HA 0.492 5.232 4.740 -0.000 0.000 0.295 217 N C -0.542 175.003 175.510 0.060 0.000 1.161 217 N CA -0.904 52.174 53.050 0.048 0.000 0.767 217 N CB 1.274 39.800 38.487 0.065 0.000 1.499 217 N HN 0.220 nan 8.380 nan 0.000 0.476 218 K N 0.381 120.815 120.400 0.056 0.000 2.382 218 K HA 0.383 4.703 4.320 -0.000 0.000 0.275 218 K C 0.048 176.692 176.600 0.073 0.000 1.009 218 K CA -0.395 55.902 56.287 0.015 0.000 0.970 218 K CB 0.691 33.209 32.500 0.029 0.000 0.934 218 K HN 0.526 nan 8.250 nan 0.000 0.479 219 V N -1.901 118.010 119.914 -0.005 0.000 3.147 219 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 219 V C -1.178 174.915 176.094 -0.001 0.000 1.209 219 V CA -1.264 61.070 62.300 0.056 0.000 1.023 219 V CB 1.812 33.665 31.823 0.049 0.000 1.059 219 V HN 0.799 nan 8.190 nan 0.000 0.435 220 A N 1.962 124.825 122.820 0.071 0.000 2.305 220 A HA 0.905 5.225 4.320 -0.000 0.000 0.322 220 A C -0.589 176.974 177.584 -0.035 0.000 1.187 220 A CA -0.682 51.384 52.037 0.048 0.000 0.825 220 A CB 1.438 20.513 19.000 0.125 0.000 1.164 220 A HN 1.605 nan 8.150 nan 0.000 0.498 221 V N 2.722 122.576 119.914 -0.099 0.000 2.525 221 V HA 0.419 4.538 4.120 -0.000 0.000 0.299 221 V C -0.117 175.848 176.094 -0.215 0.000 1.034 221 V CA -0.643 61.551 62.300 -0.177 0.000 0.863 221 V CB 1.570 33.229 31.823 -0.273 0.000 0.999 221 V HN 0.922 nan 8.190 nan 0.000 0.423 222 K N 3.406 123.691 120.400 -0.191 0.000 2.274 222 K HA 0.575 4.895 4.320 -0.000 0.000 0.262 222 K C -0.761 175.721 176.600 -0.197 0.000 0.961 222 K CA -0.380 55.779 56.287 -0.214 0.000 0.833 222 K CB 1.550 33.914 32.500 -0.227 0.000 1.102 222 K HN 0.803 nan 8.250 nan 0.000 0.436 223 C N 6.247 125.430 119.300 -0.193 0.000 2.388 223 C HA 0.580 5.040 4.460 -0.000 0.000 0.362 223 C C -0.246 174.707 174.990 -0.062 0.000 1.266 223 C CA -0.602 58.385 59.018 -0.052 0.000 2.028 223 C CB -0.741 26.988 27.740 -0.018 0.000 2.440 223 C HN 0.773 nan 8.230 nan 0.000 0.547 224 I N 5.951 126.522 120.570 0.002 0.000 2.436 224 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 224 I C -0.061 176.061 176.117 0.008 0.000 1.010 224 I CA -0.278 61.006 61.300 -0.028 0.000 1.098 224 I CB 1.420 39.406 38.000 -0.024 0.000 1.266 224 I HN 0.725 nan 8.210 nan 0.000 0.434 225 K N 4.270 124.669 120.400 -0.003 0.000 2.279 225 K HA 0.326 4.645 4.320 -0.000 0.000 0.238 225 K C 0.523 177.119 176.600 -0.008 0.000 1.084 225 K CA -0.758 55.532 56.287 0.005 0.000 0.885 225 K CB 1.588 34.095 32.500 0.012 0.000 1.319 225 K HN 0.558 nan 8.250 nan 0.000 0.494 226 N N 0.999 119.687 118.700 -0.021 0.000 2.666 226 N HA -0.092 4.648 4.740 -0.000 0.000 0.194 226 N C -0.884 174.615 175.510 -0.018 0.000 1.220 226 N CA 0.067 53.095 53.050 -0.037 0.000 0.928 226 N CB -0.070 38.370 38.487 -0.078 0.000 0.997 226 N HN 0.383 nan 8.380 nan 0.000 0.447 227 D N 1.088 121.484 120.400 -0.007 0.000 2.581 227 D HA -0.079 4.561 4.640 -0.000 0.000 0.238 227 D C 1.411 177.721 176.300 0.017 0.000 1.145 227 D CA 0.275 54.276 54.000 0.002 0.000 0.866 227 D CB 0.732 41.529 40.800 -0.005 0.000 1.151 227 D HN 0.203 nan 8.370 nan 0.000 0.500 228 A N 3.662 126.494 122.820 0.020 0.000 1.971 228 A HA -0.385 3.935 4.320 -0.000 0.000 0.231 228 A C 2.250 179.864 177.584 0.050 0.000 1.546 228 A CA 3.007 55.062 52.037 0.030 0.000 0.716 228 A CB -1.267 17.751 19.000 0.030 0.000 0.839 228 A HN 0.665 nan 8.150 nan 0.000 0.513 229 T N -1.417 113.182 114.554 0.073 0.000 2.708 229 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 229 T C 1.910 176.721 174.700 0.184 0.000 1.037 229 T CA 2.606 64.791 62.100 0.142 0.000 1.146 229 T CB -0.789 68.200 68.868 0.203 0.000 0.865 229 T HN 1.319 nan 8.240 nan 0.000 0.435 230 A N 1.110 124.010 122.820 0.134 0.000 1.888 230 A HA -0.445 3.875 4.320 -0.000 0.000 0.249 230 A C 2.195 179.866 177.584 0.145 0.000 2.120 230 A CA 3.251 55.362 52.037 0.123 0.000 0.772 230 A CB -1.680 17.348 19.000 0.047 0.000 0.844 230 A HN 0.771 nan 8.150 nan 0.000 0.525 231 Q N -1.220 118.632 119.800 0.085 0.000 2.152 231 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 231 Q C 2.239 178.265 176.000 0.043 0.000 0.985 231 Q CA 2.145 57.980 55.803 0.054 0.000 0.863 231 Q CB -0.390 28.360 28.738 0.021 0.000 0.904 231 Q HN 0.778 nan 8.270 nan 0.000 0.422 232 A N -0.380 122.459 122.820 0.032 0.000 1.898 232 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 232 A C 1.666 179.159 177.584 -0.151 0.000 1.181 232 A CA 1.203 53.182 52.037 -0.096 0.000 0.620 232 A CB -0.768 18.120 19.000 -0.185 0.000 0.819 232 A HN 0.487 nan 8.150 nan 0.000 0.442 233 F N -0.176 119.757 119.950 -0.028 0.000 2.325 233 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 233 F C 2.007 177.797 175.800 -0.017 0.000 1.090 233 F CA 0.764 58.746 58.000 -0.029 0.000 1.392 233 F CB -0.243 38.736 39.000 -0.034 0.000 1.053 233 F HN 0.096 nan 8.300 nan 0.000 0.521 234 L N -0.702 120.619 121.223 0.164 0.000 2.072 234 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 234 L C 2.746 179.691 176.870 0.125 0.000 1.079 234 L CA 1.072 56.001 54.840 0.149 0.000 0.752 234 L CB -0.953 41.191 42.059 0.142 0.000 0.906 234 L HN 0.125 nan 8.230 nan 0.000 0.436 235 A N -0.048 122.799 122.820 0.045 0.000 1.883 235 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 235 A C 2.244 179.810 177.584 -0.030 0.000 1.186 235 A CA 2.013 54.047 52.037 -0.006 0.000 0.624 235 A CB -0.606 18.365 19.000 -0.049 0.000 0.822 235 A HN 0.496 nan 8.150 nan 0.000 0.444 236 E N -0.081 120.089 120.200 -0.050 0.000 2.058 236 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 236 E C 2.117 178.707 176.600 -0.017 0.000 0.997 236 E CA 1.251 57.626 56.400 -0.041 0.000 0.801 236 E CB -0.296 29.351 29.700 -0.088 0.000 0.746 236 E HN 0.532 nan 8.360 nan 0.000 0.450 237 A N 0.624 123.454 122.820 0.017 0.000 1.933 237 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 237 A C 2.338 179.926 177.584 0.007 0.000 1.175 237 A CA 1.906 53.935 52.037 -0.013 0.000 0.628 237 A CB -0.898 18.066 19.000 -0.060 0.000 0.814 237 A HN 0.385 nan 8.150 nan 0.000 0.444 238 S N -0.446 115.300 115.700 0.076 0.000 2.353 238 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 238 S C 1.912 176.417 174.600 -0.158 0.000 1.035 238 S CA 1.915 60.086 58.200 -0.047 0.000 1.025 238 S CB -0.604 62.561 63.200 -0.058 0.000 0.902 238 S HN 0.323 nan 8.310 nan 0.000 0.440 239 V N 2.203 121.998 119.914 -0.199 0.000 2.343 239 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 239 V C 2.524 178.349 176.094 -0.448 0.000 1.051 239 V CA 2.206 64.283 62.300 -0.371 0.000 1.036 239 V CB -0.703 30.826 31.823 -0.490 0.000 0.654 239 V HN 0.550 nan 8.190 nan 0.000 0.451 240 M N 0.640 120.000 119.600 -0.400 0.000 2.358 240 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 240 M C 2.145 178.218 176.300 -0.378 0.000 1.064 240 M CA 2.007 57.063 55.300 -0.407 0.000 1.093 240 M CB -0.783 31.651 32.600 -0.277 0.000 1.401 240 M HN 0.638 nan 8.290 nan 0.000 0.440 241 T N -2.347 111.945 114.554 -0.437 0.000 3.163 241 T HA -0.075 4.275 4.350 -0.000 0.000 0.260 241 T C 1.224 175.876 174.700 -0.080 0.000 1.156 241 T CA 0.729 62.502 62.100 -0.545 0.000 1.072 241 T CB -0.155 68.312 68.868 -0.667 0.000 0.937 241 T HN 0.531 nan 8.240 nan 0.000 0.528 242 Q N 0.284 120.038 119.800 -0.077 0.000 2.159 242 Q HA 0.457 4.797 4.340 -0.000 0.000 0.217 242 Q C -0.504 175.566 176.000 0.117 0.000 0.818 242 Q CA -0.183 55.667 55.803 0.079 0.000 1.008 242 Q CB 0.778 29.617 28.738 0.170 0.000 1.148 242 Q HN 0.480 nan 8.270 nan 0.000 0.491 243 L N 0.653 121.881 121.223 0.008 0.000 2.365 243 L HA 0.614 4.954 4.340 -0.000 0.000 0.273 243 L C -0.345 176.563 176.870 0.062 0.000 1.000 243 L CA -0.785 54.111 54.840 0.092 0.000 0.819 243 L CB 1.989 43.941 42.059 -0.179 0.000 1.284 243 L HN -0.055 nan 8.230 nan 0.000 0.418 244 R N 2.080 122.616 120.500 0.061 0.000 2.850 244 R HA 0.399 4.739 4.340 -0.000 0.000 0.266 244 R C -1.683 174.446 176.300 -0.286 0.000 1.782 244 R CA -0.604 55.465 56.100 -0.051 0.000 1.310 244 R CB 0.726 31.060 30.300 0.057 0.000 1.337 244 R HN 0.818 nan 8.270 nan 0.000 0.546 245 H N 0.581 119.367 119.070 -0.474 0.000 2.954 245 H HA 0.133 4.689 4.556 -0.000 0.000 0.361 245 H C 0.736 175.917 175.328 -0.246 0.000 1.122 245 H CA -0.048 55.685 56.048 -0.524 0.000 1.217 245 H CB 2.110 31.297 29.762 -0.957 0.000 1.776 245 H HN 0.419 nan 8.280 nan 0.000 0.533 246 S N 2.723 118.106 115.700 -0.529 0.000 2.493 246 S HA -0.144 4.326 4.470 -0.000 0.000 0.243 246 S C 0.650 175.200 174.600 -0.084 0.000 0.991 246 S CA 1.300 59.335 58.200 -0.274 0.000 0.957 246 S CB -0.096 62.926 63.200 -0.296 0.000 0.756 246 S HN 0.716 nan 8.310 nan 0.000 0.521 247 N N 0.691 119.479 118.700 0.146 0.000 2.234 247 N HA 0.367 5.107 4.740 -0.000 0.000 0.227 247 N C -0.922 174.698 175.510 0.182 0.000 1.151 247 N CA 0.042 53.218 53.050 0.210 0.000 0.865 247 N CB 0.681 39.334 38.487 0.275 0.000 1.066 247 N HN 0.432 nan 8.380 nan 0.000 0.515 248 L N 1.134 122.451 121.223 0.157 0.000 2.381 248 L HA 0.405 4.745 4.340 -0.000 0.000 0.274 248 L C -0.050 176.909 176.870 0.147 0.000 0.988 248 L CA -0.856 54.095 54.840 0.185 0.000 0.824 248 L CB 2.798 44.916 42.059 0.098 0.000 1.263 248 L HN -0.273 nan 8.230 nan 0.000 0.410 249 V N 3.444 123.483 119.914 0.210 0.000 2.509 249 V HA -0.080 4.040 4.120 -0.000 0.000 0.297 249 V C 0.522 176.693 176.094 0.129 0.000 1.014 249 V CA 0.291 62.676 62.300 0.142 0.000 1.127 249 V CB 0.790 32.688 31.823 0.124 0.000 0.925 249 V HN 0.783 nan 8.190 nan 0.000 0.480 250 Q N 4.286 124.126 119.800 0.066 0.000 2.293 250 Q HA 0.415 4.755 4.340 -0.000 0.000 0.251 250 Q C -0.769 175.257 176.000 0.043 0.000 0.930 250 Q CA -0.865 54.963 55.803 0.043 0.000 0.893 250 Q CB 1.511 30.275 28.738 0.043 0.000 1.215 250 Q HN 0.670 nan 8.270 nan 0.000 0.425 251 L N 4.504 125.735 121.223 0.013 0.000 2.276 251 L HA 0.210 4.550 4.340 -0.000 0.000 0.286 251 L C -0.504 176.435 176.870 0.114 0.000 1.061 251 L CA 0.224 55.058 54.840 -0.010 0.000 0.807 251 L CB 0.979 42.931 42.059 -0.177 0.000 1.177 251 L HN 0.902 nan 8.230 nan 0.000 0.429 252 L N 4.861 126.141 121.223 0.096 0.000 2.298 252 L HA 0.595 4.935 4.340 -0.000 0.000 0.209 252 L C 1.135 178.120 176.870 0.192 0.000 1.084 252 L CA 0.966 55.886 54.840 0.133 0.000 0.816 252 L CB -0.506 41.569 42.059 0.028 0.000 0.967 252 L HN 0.917 nan 8.230 nan 0.000 0.460 253 G N -1.837 107.027 108.800 0.108 0.000 2.327 253 G HA2 0.399 4.359 3.960 -0.000 0.000 0.291 253 G HA3 0.399 4.359 3.960 -0.000 0.000 0.291 253 G C -2.053 172.822 174.900 -0.043 0.000 1.290 253 G CA -0.498 44.683 45.100 0.135 0.000 0.857 253 G HN -0.275 nan 8.290 nan 0.000 0.520 254 V N 0.081 119.965 119.914 -0.050 0.000 2.962 254 V HA 0.805 4.925 4.120 -0.000 0.000 0.313 254 V C -0.583 175.511 176.094 0.000 0.000 1.099 254 V CA -0.683 61.563 62.300 -0.090 0.000 0.971 254 V CB 1.954 33.631 31.823 -0.243 0.000 1.028 254 V HN 0.701 nan 8.190 nan 0.000 0.430 255 I N 2.630 123.237 120.570 0.063 0.000 2.571 255 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 255 I C -0.690 175.433 176.117 0.011 0.000 1.115 255 I CA -0.930 60.422 61.300 0.086 0.000 1.045 255 I CB 2.244 40.252 38.000 0.013 0.000 1.238 255 I HN 0.214 nan 8.210 nan 0.000 0.424 256 V N 5.257 125.222 119.914 0.085 0.000 2.470 256 V HA 0.091 4.211 4.120 -0.000 0.000 0.276 256 V C 0.610 176.578 176.094 -0.210 0.000 1.040 256 V CA -0.068 62.184 62.300 -0.080 0.000 1.008 256 V CB 0.783 32.514 31.823 -0.153 0.000 0.990 256 V HN 0.736 nan 8.190 nan 0.000 0.477 257 E N 3.140 123.163 120.200 -0.295 0.000 2.345 257 E HA 0.127 4.477 4.350 -0.000 0.000 0.259 257 E C 0.501 177.005 176.600 -0.161 0.000 1.117 257 E CA -0.569 55.609 56.400 -0.371 0.000 0.913 257 E CB 1.118 30.601 29.700 -0.361 0.000 1.057 257 E HN 0.724 nan 8.360 nan 0.000 0.432 258 E N 1.446 121.578 120.200 -0.115 0.000 2.047 258 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 258 E C 0.951 177.550 176.600 -0.001 0.000 0.987 258 E CA 1.134 57.512 56.400 -0.036 0.000 0.799 258 E CB 0.067 29.763 29.700 -0.007 0.000 0.752 258 E HN 0.267 nan 8.360 nan 0.000 0.449 259 K N 0.222 120.630 120.400 0.013 0.000 2.699 259 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 259 K C 0.794 177.414 176.600 0.033 0.000 1.008 259 K CA 0.740 57.053 56.287 0.045 0.000 1.100 259 K CB -0.305 32.232 32.500 0.062 0.000 0.878 259 K HN 0.384 nan 8.250 nan 0.000 0.496 260 G N 0.329 109.132 108.800 0.006 0.000 2.168 260 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 260 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 260 G C 0.598 175.506 174.900 0.014 0.000 0.977 260 G CA 0.370 45.474 45.100 0.008 0.000 0.659 260 G HN 0.583 nan 8.290 nan 0.000 0.533 261 G N -1.142 107.660 108.800 0.004 0.000 2.509 261 G HA2 0.707 4.667 3.960 -0.000 0.000 0.269 261 G HA3 0.707 4.667 3.960 -0.000 0.000 0.269 261 G C -0.598 174.298 174.900 -0.006 0.000 1.416 261 G CA -0.122 44.991 45.100 0.022 0.000 1.052 261 G HN 1.120 nan 8.290 nan 0.000 0.542 262 L N -1.195 120.054 121.223 0.043 0.000 2.464 262 L HA 0.477 4.817 4.340 -0.000 0.000 0.266 262 L C -1.497 175.483 176.870 0.183 0.000 0.965 262 L CA -0.804 54.059 54.840 0.038 0.000 0.833 262 L CB 1.840 43.908 42.059 0.015 0.000 1.296 262 L HN 0.591 nan 8.230 nan 0.000 0.405 263 Y N 5.487 125.757 120.300 -0.049 0.000 2.326 263 Y HA 0.469 5.019 4.550 -0.000 0.000 0.337 263 Y C -0.064 175.767 175.900 -0.116 0.000 1.023 263 Y CA -1.288 56.768 58.100 -0.073 0.000 1.143 263 Y CB 1.587 40.014 38.460 -0.054 0.000 1.183 263 Y HN 0.280 nan 8.280 nan 0.000 0.485 264 I N 5.536 126.110 120.570 0.007 0.000 2.307 264 I HA 0.154 4.324 4.170 -0.000 0.000 0.289 264 I C -0.326 175.752 176.117 -0.066 0.000 1.021 264 I CA -0.767 60.487 61.300 -0.077 0.000 1.224 264 I CB 0.962 38.916 38.000 -0.077 0.000 1.376 264 I HN 0.266 nan 8.210 nan 0.000 0.470 265 V N 6.706 126.575 119.914 -0.075 0.000 2.333 265 V HA 0.419 4.539 4.120 -0.000 0.000 0.274 265 V C 0.653 176.722 176.094 -0.043 0.000 1.028 265 V CA -0.361 61.892 62.300 -0.077 0.000 0.851 265 V CB 1.068 32.803 31.823 -0.147 0.000 1.000 265 V HN 0.900 nan 8.190 nan 0.000 0.456 266 T N 0.874 115.423 114.554 -0.007 0.000 2.910 266 T HA 0.601 4.951 4.350 -0.000 0.000 0.287 266 T C -0.242 174.494 174.700 0.060 0.000 1.050 266 T CA -0.838 61.278 62.100 0.027 0.000 1.011 266 T CB 1.931 70.824 68.868 0.041 0.000 1.195 266 T HN 0.765 nan 8.240 nan 0.000 0.540 267 E N 0.697 120.940 120.200 0.071 0.000 2.360 267 E HA 0.088 4.438 4.350 -0.000 0.000 0.269 267 E C -1.214 175.460 176.600 0.124 0.000 1.022 267 E CA -0.775 55.680 56.400 0.093 0.000 0.887 267 E CB 0.315 30.055 29.700 0.067 0.000 0.990 267 E HN 0.632 nan 8.360 nan 0.000 0.426 268 Y N 5.133 125.440 120.300 0.011 0.000 2.402 268 Y HA 0.128 4.678 4.550 -0.000 0.000 0.333 268 Y C -0.521 175.381 175.900 0.003 0.000 1.076 268 Y CA -0.554 57.549 58.100 0.005 0.000 1.299 268 Y CB 0.695 39.159 38.460 0.007 0.000 1.197 268 Y HN 0.504 nan 8.280 nan 0.000 0.517 269 M N 7.518 126.797 119.600 -0.534 0.000 2.060 269 M HA 0.311 4.791 4.480 -0.000 0.000 0.342 269 M C 0.986 176.807 176.300 -0.799 0.000 1.031 269 M CA -0.366 54.633 55.300 -0.501 0.000 0.981 269 M CB 0.516 32.968 32.600 -0.248 0.000 1.376 269 M HN 0.885 nan 8.290 nan 0.000 0.397 270 A N 3.232 125.534 122.820 -0.864 0.000 2.024 270 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 270 A C 1.635 179.093 177.584 -0.211 0.000 1.164 270 A CA 1.552 53.238 52.037 -0.586 0.000 0.643 270 A CB -0.112 18.769 19.000 -0.199 0.000 0.806 270 A HN 0.748 nan 8.150 nan 0.000 0.451 271 K N -0.776 119.531 120.400 -0.155 0.000 2.440 271 K HA 0.368 4.688 4.320 -0.000 0.000 0.206 271 K C 0.877 177.474 176.600 -0.006 0.000 1.025 271 K CA 0.247 56.524 56.287 -0.016 0.000 1.135 271 K CB 0.103 32.647 32.500 0.074 0.000 0.856 271 K HN 0.574 nan 8.250 nan 0.000 0.502 272 G N 2.034 110.790 108.800 -0.074 0.000 2.692 272 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.248 272 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.248 272 G C -0.095 174.769 174.900 -0.061 0.000 1.340 272 G CA -0.210 44.860 45.100 -0.049 0.000 0.896 272 G HN 0.392 nan 8.290 nan 0.000 0.570 273 S N -0.679 114.994 115.700 -0.045 0.000 2.563 273 S HA 0.247 4.717 4.470 -0.000 0.000 0.284 273 S C 1.645 176.210 174.600 -0.059 0.000 1.331 273 S CA 0.496 58.657 58.200 -0.064 0.000 1.047 273 S CB 1.296 64.469 63.200 -0.044 0.000 0.859 273 S HN 2.032 nan 8.310 nan 0.000 0.514 274 L N 4.628 125.775 121.223 -0.126 0.000 2.042 274 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 274 L C 2.279 179.126 176.870 -0.038 0.000 1.076 274 L CA 1.910 56.644 54.840 -0.177 0.000 0.749 274 L CB -1.163 40.731 42.059 -0.276 0.000 0.893 274 L HN 0.759 nan 8.230 nan 0.000 0.432 275 V N -0.060 119.848 119.914 -0.010 0.000 2.219 275 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 275 V C 2.370 178.502 176.094 0.065 0.000 1.053 275 V CA 2.160 64.487 62.300 0.045 0.000 1.009 275 V CB -1.273 30.588 31.823 0.062 0.000 0.636 275 V HN 0.441 nan 8.190 nan 0.000 0.445 276 D N -0.935 119.498 120.400 0.054 0.000 2.133 276 D HA -0.253 4.387 4.640 -0.000 0.000 0.192 276 D C 1.991 178.327 176.300 0.059 0.000 1.001 276 D CA 2.158 56.188 54.000 0.051 0.000 0.844 276 D CB -0.491 40.334 40.800 0.042 0.000 0.944 276 D HN 0.609 nan 8.370 nan 0.000 0.447 277 Y N 1.383 121.667 120.300 -0.027 0.000 2.151 277 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 277 Y C 2.362 178.285 175.900 0.038 0.000 1.166 277 Y CA 1.410 59.503 58.100 -0.011 0.000 1.163 277 Y CB -0.369 38.050 38.460 -0.068 0.000 0.974 277 Y HN -0.062 nan 8.280 nan 0.000 0.511 278 L N -0.544 120.778 121.223 0.165 0.000 2.056 278 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 278 L C 2.589 179.526 176.870 0.111 0.000 1.078 278 L CA 1.580 56.520 54.840 0.167 0.000 0.749 278 L CB -0.494 41.643 42.059 0.131 0.000 0.901 278 L HN 0.119 nan 8.230 nan 0.000 0.433 279 R N -0.222 120.317 120.500 0.066 0.000 2.075 279 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 279 R C 2.608 178.897 176.300 -0.018 0.000 1.126 279 R CA 1.646 57.770 56.100 0.040 0.000 0.963 279 R CB -0.289 30.037 30.300 0.044 0.000 0.858 279 R HN 0.455 nan 8.270 nan 0.000 0.435 280 S N 0.155 115.820 115.700 -0.059 0.000 2.425 280 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 280 S C 1.863 176.375 174.600 -0.147 0.000 1.024 280 S CA 0.280 58.424 58.200 -0.093 0.000 0.951 280 S CB 0.084 63.230 63.200 -0.090 0.000 0.796 280 S HN 0.198 nan 8.310 nan 0.000 0.498 281 R N 1.293 121.652 120.500 -0.235 0.000 2.246 281 R HA 0.253 4.593 4.340 -0.000 0.000 0.199 281 R C 1.460 177.685 176.300 -0.126 0.000 0.984 281 R CA 0.406 56.363 56.100 -0.239 0.000 1.015 281 R CB -0.612 29.407 30.300 -0.468 0.000 0.930 281 R HN 0.558 nan 8.270 nan 0.000 0.475 282 G N 2.213 110.964 108.800 -0.081 0.000 2.909 282 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.385 282 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.385 282 G C 0.276 175.007 174.900 -0.282 0.000 1.436 282 G CA 0.418 45.438 45.100 -0.134 0.000 0.949 282 G HN 0.566 nan 8.290 nan 0.000 0.556 283 R N -1.001 118.975 120.500 -0.873 0.000 2.346 283 R HA 0.227 4.566 4.340 -0.000 0.000 0.208 283 R C 1.556 177.600 176.300 -0.428 0.000 1.052 283 R CA 1.343 56.746 56.100 -1.162 0.000 1.116 283 R CB -0.190 29.048 30.300 -1.770 0.000 1.003 283 R HN 0.324 nan 8.270 nan 0.000 0.482 284 S N -0.526 115.016 115.700 -0.262 0.000 2.497 284 S HA 0.087 4.557 4.470 -0.000 0.000 0.221 284 S C 1.507 176.055 174.600 -0.086 0.000 1.037 284 S CA -0.028 58.081 58.200 -0.151 0.000 0.920 284 S CB 0.744 63.865 63.200 -0.132 0.000 0.800 284 S HN 0.176 nan 8.310 nan 0.000 0.505 285 V N 1.184 121.058 119.914 -0.067 0.000 3.307 285 V HA 0.317 4.436 4.120 -0.000 0.000 0.244 285 V C 0.284 176.396 176.094 0.030 0.000 1.196 285 V CA 0.381 62.668 62.300 -0.022 0.000 1.132 285 V CB -0.155 31.647 31.823 -0.035 0.000 0.875 285 V HN 0.339 nan 8.190 nan 0.000 0.468 286 L N 1.965 123.240 121.223 0.087 0.000 2.268 286 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 286 L C 0.906 177.871 176.870 0.158 0.000 1.064 286 L CA -0.095 54.844 54.840 0.166 0.000 0.824 286 L CB 0.470 42.722 42.059 0.323 0.000 1.202 286 L HN 0.262 nan 8.230 nan 0.000 0.433 287 G N 1.542 110.380 108.800 0.064 0.000 2.599 287 G HA2 0.323 4.283 3.960 -0.000 0.000 0.264 287 G HA3 0.323 4.283 3.960 -0.000 0.000 0.264 287 G C 1.010 175.927 174.900 0.028 0.000 1.200 287 G CA 0.038 45.164 45.100 0.043 0.000 0.896 287 G HN 0.735 nan 8.290 nan 0.000 0.536 288 G N -0.747 108.072 108.800 0.032 0.000 2.442 288 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 288 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 288 G C 1.349 176.330 174.900 0.136 0.000 1.141 288 G CA 1.337 46.477 45.100 0.068 0.000 0.763 288 G HN 0.611 nan 8.290 nan 0.000 0.554 289 D N -0.193 120.253 120.400 0.076 0.000 2.097 289 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 289 D C 2.492 178.790 176.300 -0.004 0.000 0.989 289 D CA 1.250 55.334 54.000 0.140 0.000 0.827 289 D CB -0.331 40.509 40.800 0.067 0.000 0.966 289 D HN 0.252 nan 8.370 nan 0.000 0.456 290 C N 0.533 119.771 119.300 -0.103 0.000 2.429 290 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 290 C C 2.976 177.700 174.990 -0.443 0.000 1.262 290 C CA 0.377 59.209 59.018 -0.309 0.000 1.733 290 C CB -1.329 26.257 27.740 -0.256 0.000 2.010 290 C HN 0.348 nan 8.230 nan 0.000 0.483 291 L N 0.175 121.245 121.223 -0.256 0.000 2.083 291 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 291 L C 2.492 179.293 176.870 -0.115 0.000 1.083 291 L CA 0.968 55.631 54.840 -0.296 0.000 0.752 291 L CB -0.770 40.902 42.059 -0.644 0.000 0.899 291 L HN 0.352 nan 8.230 nan 0.000 0.433 292 L N 0.232 121.468 121.223 0.020 0.000 2.156 292 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 292 L C 2.464 179.356 176.870 0.036 0.000 1.095 292 L CA 1.621 56.522 54.840 0.101 0.000 0.770 292 L CB -0.459 41.623 42.059 0.038 0.000 0.914 292 L HN 0.031 nan 8.230 nan 0.000 0.439 293 K N -0.489 119.875 120.400 -0.061 0.000 2.097 293 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 293 K C 1.961 178.590 176.600 0.050 0.000 1.050 293 K CA 1.698 57.947 56.287 -0.064 0.000 0.938 293 K CB -0.605 31.790 32.500 -0.174 0.000 0.718 293 K HN 0.409 nan 8.250 nan 0.000 0.442 294 F N -0.006 119.942 119.950 -0.004 0.000 2.186 294 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 294 F C 2.244 178.073 175.800 0.048 0.000 1.090 294 F CA 0.642 58.634 58.000 -0.013 0.000 1.307 294 F CB -0.044 38.919 39.000 -0.062 0.000 1.019 294 F HN -0.004 nan 8.300 nan 0.000 0.489 295 S N 0.857 116.721 115.700 0.273 0.000 2.356 295 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 295 S C 1.954 176.750 174.600 0.327 0.000 1.032 295 S CA 1.121 59.494 58.200 0.289 0.000 1.005 295 S CB -0.537 62.828 63.200 0.274 0.000 0.867 295 S HN 0.236 nan 8.310 nan 0.000 0.449 296 L N 1.453 122.805 121.223 0.215 0.000 2.017 296 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 296 L C 2.264 179.229 176.870 0.158 0.000 1.073 296 L CA 1.192 56.130 54.840 0.164 0.000 0.745 296 L CB -0.639 41.477 42.059 0.096 0.000 0.894 296 L HN 0.179 nan 8.230 nan 0.000 0.432 297 D N -0.284 120.215 120.400 0.165 0.000 2.137 297 D HA -0.209 4.431 4.640 -0.000 0.000 0.189 297 D C 2.273 178.656 176.300 0.138 0.000 0.998 297 D CA 1.676 55.767 54.000 0.151 0.000 0.839 297 D CB -0.498 40.404 40.800 0.170 0.000 0.962 297 D HN 0.095 nan 8.370 nan 0.000 0.446 298 V N 0.640 120.657 119.914 0.172 0.000 2.287 298 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 298 V C 2.771 178.919 176.094 0.091 0.000 1.053 298 V CA 1.588 63.986 62.300 0.163 0.000 1.027 298 V CB -0.599 31.395 31.823 0.285 0.000 0.646 298 V HN 0.375 nan 8.190 nan 0.000 0.447 299 C N 0.185 119.573 119.300 0.146 0.000 2.413 299 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 299 C C 2.726 177.608 174.990 -0.179 0.000 1.248 299 C CA 1.681 60.592 59.018 -0.179 0.000 1.742 299 C CB -1.031 26.678 27.740 -0.051 0.000 2.017 299 C HN 0.653 nan 8.230 nan 0.000 0.481 300 E N 0.177 120.353 120.200 -0.040 0.000 2.106 300 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 300 E C 2.411 178.878 176.600 -0.222 0.000 0.984 300 E CA 1.165 57.546 56.400 -0.033 0.000 0.806 300 E CB -0.247 29.538 29.700 0.143 0.000 0.750 300 E HN 0.756 nan 8.360 nan 0.000 0.458 301 A N 1.344 124.046 122.820 -0.197 0.000 1.877 301 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 301 A C 2.138 179.564 177.584 -0.264 0.000 1.186 301 A CA 1.346 53.220 52.037 -0.271 0.000 0.620 301 A CB -0.299 18.662 19.000 -0.065 0.000 0.822 301 A HN 0.118 nan 8.150 nan 0.000 0.443 302 M N -0.627 118.720 119.600 -0.422 0.000 2.229 302 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 302 M C 1.973 177.885 176.300 -0.646 0.000 1.063 302 M CA 1.681 56.514 55.300 -0.779 0.000 1.114 302 M CB -1.392 30.147 32.600 -1.768 0.000 1.387 302 M HN 0.716 nan 8.290 nan 0.000 0.420 303 E N -0.468 119.492 120.200 -0.399 0.000 2.110 303 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 303 E C 2.047 178.616 176.600 -0.052 0.000 0.988 303 E CA 1.127 57.477 56.400 -0.084 0.000 0.804 303 E CB -0.184 29.517 29.700 0.003 0.000 0.745 303 E HN 0.486 nan 8.360 nan 0.000 0.458 304 Y N 0.990 121.148 120.300 -0.236 0.000 2.200 304 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 304 Y C 1.907 177.769 175.900 -0.064 0.000 1.137 304 Y CA 1.579 59.568 58.100 -0.184 0.000 1.163 304 Y CB -0.138 38.075 38.460 -0.412 0.000 0.988 304 Y HN 0.029 nan 8.280 nan 0.000 0.518 305 L N 0.129 121.352 121.223 -0.001 0.000 1.994 305 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 305 L C 2.566 179.460 176.870 0.040 0.000 1.071 305 L CA 2.078 56.964 54.840 0.076 0.000 0.745 305 L CB -0.699 41.438 42.059 0.130 0.000 0.892 305 L HN 0.304 nan 8.230 nan 0.000 0.431 306 E N 0.283 120.503 120.200 0.033 0.000 2.118 306 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 306 E C 2.096 178.683 176.600 -0.021 0.000 0.992 306 E CA 1.276 57.723 56.400 0.078 0.000 0.804 306 E CB -0.204 29.617 29.700 0.201 0.000 0.741 306 E HN 0.457 nan 8.360 nan 0.000 0.458 307 G N -0.017 108.729 108.800 -0.090 0.000 2.471 307 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.219 307 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.219 307 G C 0.868 175.634 174.900 -0.223 0.000 1.125 307 G CA 0.749 45.760 45.100 -0.148 0.000 0.775 307 G HN 0.250 nan 8.290 nan 0.000 0.548 308 N N 0.898 119.431 118.700 -0.279 0.000 2.389 308 N HA 0.136 4.876 4.740 -0.000 0.000 0.260 308 N C -0.171 175.068 175.510 -0.451 0.000 1.191 308 N CA -0.406 52.451 53.050 -0.322 0.000 0.885 308 N CB 0.243 38.553 38.487 -0.296 0.000 1.162 308 N HN 0.028 nan 8.380 nan 0.000 0.512 309 N N 0.711 119.237 118.700 -0.291 0.000 2.705 309 N HA -0.227 4.513 4.740 -0.000 0.000 0.255 309 N C -1.307 173.976 175.510 -0.378 0.000 1.008 309 N CA 1.092 53.971 53.050 -0.283 0.000 0.742 309 N CB -1.292 37.012 38.487 -0.305 0.000 0.906 309 N HN 0.371 nan 8.380 nan 0.000 0.541 310 F N -0.534 119.405 119.950 -0.018 0.000 2.529 310 F HA 0.459 4.986 4.527 -0.000 0.000 0.320 310 F C 0.380 176.220 175.800 0.067 0.000 1.118 310 F CA -1.058 56.946 58.000 0.007 0.000 0.915 310 F CB 1.755 40.745 39.000 -0.017 0.000 1.161 310 F HN -0.265 nan 8.300 nan 0.000 0.445 311 V N 2.537 122.641 119.914 0.317 0.000 2.417 311 V HA 0.187 4.307 4.120 -0.000 0.000 0.291 311 V C -0.602 175.640 176.094 0.247 0.000 1.024 311 V CA -0.740 61.721 62.300 0.268 0.000 0.861 311 V CB 1.474 33.439 31.823 0.238 0.000 0.985 311 V HN 0.730 nan 8.190 nan 0.000 0.436 312 H N 5.260 124.417 119.070 0.146 0.000 2.746 312 H HA 0.344 4.900 4.556 -0.000 0.000 0.269 312 H C 0.931 176.292 175.328 0.055 0.000 1.248 312 H CA -0.717 55.380 56.048 0.083 0.000 1.258 312 H CB 0.292 30.112 29.762 0.097 0.000 1.441 312 H HN 0.577 nan 8.280 nan 0.000 0.508 313 R N 2.756 123.310 120.500 0.090 0.000 2.526 313 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 313 R C -0.239 176.109 176.300 0.080 0.000 1.250 313 R CA 0.377 56.453 56.100 -0.040 0.000 1.227 313 R CB -0.116 29.685 30.300 -0.833 0.000 1.109 313 R HN 0.513 nan 8.270 nan 0.000 0.499 314 D N 0.025 120.631 120.400 0.344 0.000 3.118 314 D HA 0.073 4.713 4.640 -0.000 0.000 0.352 314 D C -0.875 175.519 176.300 0.156 0.000 1.498 314 D CA -0.220 53.904 54.000 0.206 0.000 0.759 314 D CB 0.349 41.167 40.800 0.030 0.000 1.251 314 D HN 0.036 nan 8.370 nan 0.000 0.504 315 L N 1.463 122.700 121.223 0.024 0.000 2.367 315 L HA 0.676 5.016 4.340 -0.000 0.000 0.275 315 L C -0.393 176.406 176.870 -0.120 0.000 1.129 315 L CA 0.159 54.879 54.840 -0.201 0.000 0.839 315 L CB 0.716 42.735 42.059 -0.066 0.000 1.133 315 L HN 0.345 nan 8.230 nan 0.000 0.453 316 A N 3.236 125.921 122.820 -0.224 0.000 2.590 316 A HA 0.539 4.859 4.320 -0.000 0.000 0.294 316 A C 0.209 177.688 177.584 -0.175 0.000 1.046 316 A CA 0.054 51.876 52.037 -0.359 0.000 0.684 316 A CB 0.589 18.886 19.000 -1.172 0.000 1.279 316 A HN 0.844 nan 8.150 nan 0.000 0.415 317 A N 0.804 123.619 122.820 -0.009 0.000 2.024 317 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 317 A C 1.879 179.417 177.584 -0.076 0.000 1.164 317 A CA 2.020 54.051 52.037 -0.010 0.000 0.643 317 A CB -0.560 18.493 19.000 0.087 0.000 0.806 317 A HN 1.124 nan 8.150 nan 0.000 0.451 318 R N -1.030 119.395 120.500 -0.125 0.000 2.276 318 R HA 0.052 4.392 4.340 -0.000 0.000 0.203 318 R C -0.007 176.205 176.300 -0.146 0.000 1.017 318 R CA 1.193 57.220 56.100 -0.121 0.000 1.010 318 R CB -0.296 29.921 30.300 -0.139 0.000 0.900 318 R HN 0.294 nan 8.270 nan 0.000 0.469 319 N N 0.880 119.471 118.700 -0.181 0.000 2.321 319 N HA 0.152 4.892 4.740 -0.000 0.000 0.242 319 N C -1.208 174.199 175.510 -0.173 0.000 1.141 319 N CA 0.006 52.952 53.050 -0.174 0.000 0.864 319 N CB 1.524 39.910 38.487 -0.168 0.000 1.100 319 N HN -0.039 nan 8.380 nan 0.000 0.510 320 V N 1.439 121.260 119.914 -0.155 0.000 2.588 320 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 320 V C -0.008 175.991 176.094 -0.160 0.000 1.042 320 V CA -0.758 61.449 62.300 -0.155 0.000 0.877 320 V CB 2.485 34.219 31.823 -0.150 0.000 0.996 320 V HN -0.002 nan 8.190 nan 0.000 0.425 321 L N 4.181 125.312 121.223 -0.154 0.000 2.334 321 L HA 0.753 5.092 4.340 -0.000 0.000 0.270 321 L C -0.727 176.023 176.870 -0.201 0.000 1.018 321 L CA -1.034 53.712 54.840 -0.158 0.000 0.811 321 L CB 2.137 44.119 42.059 -0.127 0.000 1.271 321 L HN 0.330 nan 8.230 nan 0.000 0.443 322 V N 0.194 119.973 119.914 -0.224 0.000 2.448 322 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 322 V C 0.216 176.186 176.094 -0.207 0.000 1.025 322 V CA -0.653 61.483 62.300 -0.273 0.000 0.859 322 V CB 1.633 33.194 31.823 -0.437 0.000 0.988 322 V HN 0.939 nan 8.190 nan 0.000 0.431 323 S N 2.525 118.129 115.700 -0.160 0.000 2.634 323 S HA 0.228 4.698 4.470 -0.000 0.000 0.261 323 S C 1.040 175.579 174.600 -0.103 0.000 1.271 323 S CA 0.085 58.205 58.200 -0.134 0.000 0.985 323 S CB 1.107 64.260 63.200 -0.079 0.000 0.968 323 S HN 0.758 nan 8.310 nan 0.000 0.568 324 E N 0.439 120.593 120.200 -0.077 0.000 2.153 324 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 324 E C 0.392 176.994 176.600 0.003 0.000 0.988 324 E CA 1.527 57.914 56.400 -0.021 0.000 0.811 324 E CB -0.438 29.273 29.700 0.017 0.000 0.746 324 E HN 0.670 nan 8.360 nan 0.000 0.466 325 D N 0.104 120.500 120.400 -0.006 0.000 2.434 325 D HA 0.090 4.730 4.640 -0.000 0.000 0.232 325 D C -0.449 175.853 176.300 0.004 0.000 1.166 325 D CA 0.031 54.035 54.000 0.006 0.000 0.830 325 D CB -0.661 40.142 40.800 0.005 0.000 0.960 325 D HN 0.304 nan 8.370 nan 0.000 0.497 326 N N -0.648 118.045 118.700 -0.012 0.000 2.714 326 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 326 N C -0.577 174.978 175.510 0.075 0.000 1.117 326 N CA -0.059 52.985 53.050 -0.009 0.000 0.719 326 N CB -0.714 37.795 38.487 0.035 0.000 1.081 326 N HN 0.036 nan 8.380 nan 0.000 0.557 327 V N 0.737 120.662 119.914 0.018 0.000 2.432 327 V HA 0.585 4.705 4.120 -0.000 0.000 0.275 327 V C 0.723 176.812 176.094 -0.009 0.000 1.043 327 V CA -0.452 61.874 62.300 0.044 0.000 0.925 327 V CB 1.432 33.261 31.823 0.010 0.000 0.985 327 V HN 0.282 nan 8.190 nan 0.000 0.466 328 A N 6.080 128.916 122.820 0.028 0.000 2.327 328 A HA 0.743 5.063 4.320 -0.000 0.000 0.283 328 A C -0.036 177.527 177.584 -0.035 0.000 1.127 328 A CA -0.518 51.456 52.037 -0.105 0.000 0.810 328 A CB 0.474 19.367 19.000 -0.177 0.000 1.066 328 A HN 0.842 nan 8.150 nan 0.000 0.492 329 K N 1.885 122.248 120.400 -0.062 0.000 2.513 329 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 329 K C -1.233 175.347 176.600 -0.033 0.000 0.939 329 K CA -0.787 55.494 56.287 -0.009 0.000 0.793 329 K CB 2.268 34.772 32.500 0.006 0.000 1.241 329 K HN 0.416 nan 8.250 nan 0.000 0.431 330 V N 2.330 122.243 119.914 -0.002 0.000 2.843 330 V HA 0.097 4.217 4.120 -0.000 0.000 0.305 330 V C 0.621 176.623 176.094 -0.152 0.000 1.065 330 V CA 0.335 62.593 62.300 -0.070 0.000 1.116 330 V CB 0.991 32.799 31.823 -0.025 0.000 0.968 330 V HN 1.061 nan 8.190 nan 0.000 0.487 331 S N 1.607 117.072 115.700 -0.392 0.000 2.998 331 S HA 0.491 4.961 4.470 -0.000 0.000 0.321 331 S C -0.310 173.734 174.600 -0.927 0.000 1.171 331 S CA -0.235 57.565 58.200 -0.667 0.000 0.882 331 S CB 1.370 64.408 63.200 -0.271 0.000 1.301 331 S HN 0.837 nan 8.310 nan 0.000 0.629 332 D N -0.017 119.973 120.400 -0.683 0.000 2.956 332 D HA -0.138 4.502 4.640 -0.000 0.000 0.240 332 D C -0.902 174.950 176.300 -0.746 0.000 1.141 332 D CA 0.300 53.971 54.000 -0.547 0.000 0.820 332 D CB -1.176 39.414 40.800 -0.349 0.000 0.988 332 D HN 0.520 nan 8.370 nan 0.000 0.417 333 F N -0.377 119.375 119.950 -0.330 0.000 2.664 333 F HA 0.253 4.780 4.527 -0.000 0.000 0.301 333 F C 2.368 177.934 175.800 -0.392 0.000 1.126 333 F CA 0.040 57.786 58.000 -0.423 0.000 1.373 333 F CB 0.425 39.228 39.000 -0.329 0.000 1.042 333 F HN 0.278 nan 8.300 nan 0.000 0.535 334 G N 0.813 109.443 108.800 -0.283 0.000 2.476 334 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 334 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 334 G C 1.517 176.284 174.900 -0.222 0.000 1.164 334 G CA 0.854 45.795 45.100 -0.265 0.000 0.768 334 G HN 0.409 nan 8.290 nan 0.000 0.560 335 L N 0.766 121.827 121.223 -0.271 0.000 2.567 335 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 335 L C 0.892 177.635 176.870 -0.211 0.000 1.119 335 L CA -0.255 54.440 54.840 -0.242 0.000 0.871 335 L CB -0.120 41.773 42.059 -0.277 0.000 1.036 335 L HN -0.016 nan 8.230 nan 0.000 0.459 336 T N 2.141 116.564 114.554 -0.218 0.000 2.908 336 T HA 0.122 4.472 4.350 -0.000 0.000 0.301 336 T C 0.067 174.742 174.700 -0.043 0.000 1.019 336 T CA 0.647 62.671 62.100 -0.126 0.000 1.152 336 T CB 0.485 69.268 68.868 -0.142 0.000 0.966 336 T HN 0.186 nan 8.240 nan 0.000 0.540 337 K N 2.253 122.717 120.400 0.107 0.000 2.625 337 K HA 0.187 4.507 4.320 -0.000 0.000 0.284 337 K C -0.910 175.832 176.600 0.236 0.000 0.984 337 K CA -0.781 55.617 56.287 0.184 0.000 0.865 337 K CB 1.584 34.116 32.500 0.053 0.000 1.468 337 K HN 0.640 nan 8.250 nan 0.000 0.407 338 E N 1.343 121.642 120.200 0.166 0.000 2.436 338 E HA 0.118 4.468 4.350 -0.000 0.000 0.262 338 E C -0.476 176.170 176.600 0.076 0.000 1.063 338 E CA 0.244 56.674 56.400 0.051 0.000 0.944 338 E CB 0.608 30.285 29.700 -0.037 0.000 0.950 338 E HN 0.620 nan 8.360 nan 0.000 0.444 339 A N 3.129 125.993 122.820 0.073 0.000 2.573 339 A HA 0.150 4.470 4.320 -0.000 0.000 0.250 339 A C 0.233 177.870 177.584 0.089 0.000 1.049 339 A CA 1.138 53.237 52.037 0.103 0.000 0.767 339 A CB 0.060 19.111 19.000 0.084 0.000 0.965 339 A HN 0.537 nan 8.150 nan 0.000 0.514 340 S N 0.682 116.458 115.700 0.127 0.000 2.761 340 S HA 0.691 5.161 4.470 -0.000 0.000 0.290 340 S C 0.200 174.895 174.600 0.159 0.000 1.222 340 S CA 0.145 58.409 58.200 0.107 0.000 0.954 340 S CB 0.109 63.355 63.200 0.075 0.000 1.281 340 S HN 1.886 nan 8.310 nan 0.000 0.527 341 S N 0.247 116.024 115.700 0.127 0.000 2.677 341 S HA 0.788 5.258 4.470 -0.000 0.000 0.290 341 S C 0.189 174.898 174.600 0.180 0.000 1.124 341 S CA 0.445 58.734 58.200 0.148 0.000 1.017 341 S CB 0.157 63.405 63.200 0.080 0.000 1.215 341 S HN 1.425 nan 8.310 nan 0.000 0.524 349 P HA 0.255 nan 4.420 nan 0.000 0.272 349 P C 0.267 177.651 177.300 0.139 0.000 1.230 349 P CA -0.586 62.596 63.100 0.136 0.000 0.788 349 P CB 1.048 32.857 31.700 0.182 0.000 0.949 350 V N -0.915 119.065 119.914 0.109 0.000 3.219 350 V HA 0.101 4.221 4.120 -0.000 0.000 0.240 350 V C 1.565 177.688 176.094 0.048 0.000 1.222 350 V CA 0.398 62.720 62.300 0.037 0.000 1.181 350 V CB -0.760 31.018 31.823 -0.075 0.000 0.941 350 V HN 0.294 nan 8.190 nan 0.000 0.471 351 K N -0.399 120.029 120.400 0.047 0.000 2.286 351 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 351 K C 1.630 178.244 176.600 0.022 0.000 1.045 351 K CA 2.334 58.588 56.287 -0.055 0.000 0.935 351 K CB -0.159 32.195 32.500 -0.244 0.000 0.737 351 K HN 0.693 nan 8.250 nan 0.000 0.460 352 W N 0.480 121.931 121.300 0.252 0.000 2.868 352 W HA 0.119 4.779 4.660 -0.000 0.000 0.320 352 W C 0.125 176.859 176.519 0.358 0.000 1.076 352 W CA -0.165 57.377 57.345 0.327 0.000 1.576 352 W CB 0.455 30.065 29.460 0.250 0.000 1.030 352 W HN -0.177 nan 8.180 nan 0.000 0.558 353 T N 1.410 116.198 114.554 0.391 0.000 2.899 353 T HA 0.513 4.863 4.350 -0.000 0.000 0.284 353 T C 0.220 174.775 174.700 -0.241 0.000 1.004 353 T CA -0.258 61.953 62.100 0.184 0.000 1.043 353 T CB 2.093 71.044 68.868 0.138 0.000 1.013 353 T HN -0.051 nan 8.240 nan 0.000 0.518 354 A N 2.888 125.448 122.820 -0.432 0.000 2.331 354 A HA 0.520 4.840 4.320 -0.000 0.000 0.283 354 A C -1.429 175.734 177.584 -0.702 0.000 1.142 354 A CA -1.601 49.835 52.037 -1.001 0.000 0.812 354 A CB 0.063 18.758 19.000 -0.508 0.000 1.074 354 A HN 0.522 nan 8.150 nan 0.000 0.497 355 P HA -0.265 nan 4.420 nan 0.000 0.217 355 P C 0.834 177.941 177.300 -0.322 0.000 1.158 355 P CA 2.175 65.002 63.100 -0.455 0.000 0.887 355 P CB 0.172 31.627 31.700 -0.409 0.000 0.792 356 E N -0.210 119.807 120.200 -0.304 0.000 2.051 356 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 356 E C 2.147 178.583 176.600 -0.273 0.000 0.991 356 E CA 1.427 57.694 56.400 -0.221 0.000 0.799 356 E CB -1.508 28.095 29.700 -0.161 0.000 0.748 356 E HN 0.154 nan 8.360 nan 0.000 0.449 357 A N 1.429 124.028 122.820 -0.369 0.000 1.892 357 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 357 A C 2.293 179.580 177.584 -0.495 0.000 1.188 357 A CA 1.629 53.309 52.037 -0.595 0.000 0.631 357 A CB -0.941 17.592 19.000 -0.778 0.000 0.822 357 A HN 0.217 nan 8.150 nan 0.000 0.447 358 L N -1.517 119.505 121.223 -0.334 0.000 1.976 358 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 358 L C 2.860 179.635 176.870 -0.159 0.000 1.071 358 L CA 2.015 56.734 54.840 -0.202 0.000 0.746 358 L CB -0.552 41.406 42.059 -0.167 0.000 0.890 358 L HN 0.444 nan 8.230 nan 0.000 0.432 359 R N 0.491 120.895 120.500 -0.161 0.000 2.070 359 R HA -0.213 4.127 4.340 -0.000 0.000 0.233 359 R C 2.134 178.372 176.300 -0.103 0.000 1.137 359 R CA 2.073 58.102 56.100 -0.118 0.000 0.945 359 R CB -0.106 30.126 30.300 -0.114 0.000 0.845 359 R HN 0.575 nan 8.270 nan 0.000 0.430 360 E N 0.256 120.382 120.200 -0.125 0.000 2.474 360 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 360 E C -0.306 176.234 176.600 -0.099 0.000 1.041 360 E CA -0.019 56.323 56.400 -0.098 0.000 0.874 360 E CB 0.177 29.821 29.700 -0.093 0.000 0.914 360 E HN 0.121 nan 8.360 nan 0.000 0.498 361 K N 1.054 121.366 120.400 -0.147 0.000 3.156 361 K HA -0.186 4.134 4.320 -0.000 0.000 0.266 361 K C -1.138 175.417 176.600 -0.075 0.000 0.966 361 K CA 0.805 57.021 56.287 -0.118 0.000 0.719 361 K CB -1.199 31.296 32.500 -0.008 0.000 1.333 361 K HN 0.226 nan 8.250 nan 0.000 0.468 362 K N 0.762 121.043 120.400 -0.198 0.000 2.578 362 K HA 0.343 4.663 4.320 -0.000 0.000 0.250 362 K C -0.802 175.704 176.600 -0.157 0.000 0.955 362 K CA -0.645 55.610 56.287 -0.053 0.000 0.825 362 K CB 0.930 33.413 32.500 -0.028 0.000 1.151 362 K HN -0.093 nan 8.250 nan 0.000 0.432 363 F N 1.275 121.248 119.950 0.039 0.000 2.379 363 F HA 0.421 4.948 4.527 -0.000 0.000 0.332 363 F C 1.014 176.857 175.800 0.072 0.000 1.096 363 F CA -0.234 57.804 58.000 0.063 0.000 1.105 363 F CB 1.719 40.768 39.000 0.083 0.000 1.189 363 F HN 0.477 nan 8.300 nan 0.000 0.515 364 S N -0.440 115.407 115.700 0.246 0.000 2.651 364 S HA 0.349 4.819 4.470 -0.000 0.000 0.279 364 S C 0.296 175.028 174.600 0.220 0.000 1.148 364 S CA -0.594 57.716 58.200 0.184 0.000 0.837 364 S CB 1.367 64.632 63.200 0.108 0.000 1.138 364 S HN 0.480 nan 8.310 nan 0.000 0.478 365 T N 1.755 116.424 114.554 0.193 0.000 2.803 365 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 365 T C 1.536 176.353 174.700 0.196 0.000 1.052 365 T CA 1.427 63.672 62.100 0.240 0.000 1.136 365 T CB -0.382 68.608 68.868 0.203 0.000 0.864 365 T HN 0.490 nan 8.240 nan 0.000 0.467 366 K N 1.610 122.087 120.400 0.128 0.000 2.103 366 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 366 K C 2.685 179.403 176.600 0.195 0.000 1.048 366 K CA 1.525 57.876 56.287 0.107 0.000 0.930 366 K CB -0.802 31.748 32.500 0.084 0.000 0.716 366 K HN 0.576 nan 8.250 nan 0.000 0.444 367 S N 1.142 116.971 115.700 0.214 0.000 2.402 367 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 367 S C 1.531 176.375 174.600 0.406 0.000 1.021 367 S CA 1.026 59.385 58.200 0.265 0.000 0.974 367 S CB -0.145 63.158 63.200 0.171 0.000 0.800 367 S HN 0.132 nan 8.310 nan 0.000 0.484 368 D N 1.566 122.212 120.400 0.410 0.000 2.178 368 D HA -0.001 4.639 4.640 -0.000 0.000 0.202 368 D C 2.072 178.710 176.300 0.562 0.000 0.974 368 D CA 0.728 55.026 54.000 0.496 0.000 0.841 368 D CB -0.414 40.703 40.800 0.529 0.000 0.953 368 D HN 0.306 nan 8.370 nan 0.000 0.478 369 V N 0.934 121.051 119.914 0.340 0.000 2.295 369 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 369 V C 2.211 178.504 176.094 0.333 0.000 1.049 369 V CA 1.366 63.723 62.300 0.095 0.000 1.024 369 V CB -0.485 31.222 31.823 -0.194 0.000 0.648 369 V HN 0.404 nan 8.190 nan 0.000 0.447 370 W N 1.173 122.613 121.300 0.234 0.000 2.335 370 W HA -0.230 4.430 4.660 -0.000 0.000 0.311 370 W C 2.532 179.301 176.519 0.417 0.000 1.213 370 W CA 2.277 59.818 57.345 0.327 0.000 1.274 370 W CB -0.620 29.004 29.460 0.274 0.000 1.148 370 W HN 0.345 nan 8.180 nan 0.000 0.498 371 S N 0.872 117.006 115.700 0.723 0.000 2.359 371 S HA -0.263 4.207 4.470 -0.000 0.000 0.224 371 S C 1.583 176.500 174.600 0.527 0.000 1.035 371 S CA 1.723 60.315 58.200 0.654 0.000 1.018 371 S CB -1.281 62.256 63.200 0.561 0.000 0.876 371 S HN 0.331 nan 8.310 nan 0.000 0.448 372 F N 2.731 122.897 119.950 0.361 0.000 2.154 372 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 372 F C 2.218 178.140 175.800 0.203 0.000 1.087 372 F CA 1.188 59.365 58.000 0.294 0.000 1.274 372 F CB -0.983 38.257 39.000 0.401 0.000 1.009 372 F HN 0.209 nan 8.300 nan 0.000 0.485 373 G N 1.072 109.968 108.800 0.160 0.000 2.459 373 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 373 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 373 G C 1.651 176.649 174.900 0.165 0.000 1.183 373 G CA 1.123 46.147 45.100 -0.127 0.000 0.776 373 G HN 0.352 nan 8.290 nan 0.000 0.552 374 I N 0.786 121.578 120.570 0.369 0.000 2.226 374 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 374 I C 2.622 178.947 176.117 0.347 0.000 1.100 374 I CA 0.773 62.261 61.300 0.313 0.000 1.374 374 I CB -1.217 36.862 38.000 0.131 0.000 1.057 374 I HN 0.174 nan 8.210 nan 0.000 0.413 375 L N 0.723 122.122 121.223 0.293 0.000 2.131 375 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 375 L C 2.277 179.169 176.870 0.036 0.000 1.092 375 L CA 1.585 56.545 54.840 0.201 0.000 0.759 375 L CB -0.787 41.329 42.059 0.096 0.000 0.903 375 L HN 0.113 nan 8.230 nan 0.000 0.435 376 L N -1.979 119.167 121.223 -0.129 0.000 2.056 376 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 376 L C 2.385 179.349 176.870 0.156 0.000 1.078 376 L CA 1.682 56.461 54.840 -0.102 0.000 0.749 376 L CB -0.483 41.414 42.059 -0.269 0.000 0.901 376 L HN 0.541 nan 8.230 nan 0.000 0.433 377 W N 1.300 122.631 121.300 0.052 0.000 2.355 377 W HA -0.227 4.433 4.660 -0.000 0.000 0.309 377 W C 2.401 178.971 176.519 0.084 0.000 1.206 377 W CA 1.848 59.262 57.345 0.114 0.000 1.284 377 W CB -0.036 29.517 29.460 0.156 0.000 1.145 377 W HN 0.108 nan 8.180 nan 0.000 0.502 378 E N 0.107 120.496 120.200 0.314 0.000 2.058 378 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 378 E C 2.143 178.677 176.600 -0.110 0.000 0.997 378 E CA 1.932 58.409 56.400 0.129 0.000 0.801 378 E CB -0.620 29.262 29.700 0.303 0.000 0.746 378 E HN 0.369 nan 8.360 nan 0.000 0.450 379 I N 0.170 120.690 120.570 -0.083 0.000 2.208 379 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 379 I C 1.857 177.618 176.117 -0.593 0.000 1.097 379 I CA 1.380 62.530 61.300 -0.251 0.000 1.363 379 I CB -0.247 37.653 38.000 -0.166 0.000 1.051 379 I HN 0.132 nan 8.210 nan 0.000 0.413 380 Y N 0.026 120.081 120.300 -0.408 0.000 2.546 380 Y HA 0.016 4.566 4.550 -0.000 0.000 0.287 380 Y C 2.217 177.779 175.900 -0.563 0.000 1.158 380 Y CA 0.362 58.157 58.100 -0.508 0.000 1.307 380 Y CB 0.023 38.299 38.460 -0.307 0.000 1.036 380 Y HN 0.026 nan 8.280 nan 0.000 0.532 381 S N -0.711 114.668 115.700 -0.535 0.000 2.572 381 S HA 0.108 4.578 4.470 -0.000 0.000 0.228 381 S C -0.001 174.535 174.600 -0.107 0.000 0.963 381 S CA -0.393 57.523 58.200 -0.475 0.000 0.939 381 S CB -0.634 61.862 63.200 -1.174 0.000 0.804 381 S HN 0.449 nan 8.310 nan 0.000 0.480 382 F N 1.415 121.245 119.950 -0.201 0.000 3.079 382 F HA -0.273 4.254 4.527 -0.000 0.000 0.274 382 F C 1.467 177.228 175.800 -0.065 0.000 0.940 382 F CA 0.700 58.633 58.000 -0.111 0.000 0.932 382 F CB -2.019 36.925 39.000 -0.093 0.000 0.891 382 F HN 0.425 nan 8.300 nan 0.000 0.722 383 G N -1.293 107.530 108.800 0.039 0.000 2.238 383 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.217 383 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.217 383 G C 0.495 175.471 174.900 0.128 0.000 0.996 383 G CA -0.262 44.895 45.100 0.095 0.000 0.632 383 G HN 0.492 nan 8.290 nan 0.000 0.503 384 R N 0.424 120.966 120.500 0.069 0.000 2.644 384 R HA 0.265 4.605 4.340 -0.000 0.000 0.265 384 R C 0.740 177.252 176.300 0.354 0.000 0.985 384 R CA 0.509 56.698 56.100 0.149 0.000 1.097 384 R CB 0.478 30.815 30.300 0.062 0.000 0.931 384 R HN 0.172 nan 8.270 nan 0.000 0.419 385 V N 5.286 125.400 119.914 0.333 0.000 2.637 385 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 385 V C -1.761 174.509 176.094 0.293 0.000 1.046 385 V CA -1.472 61.017 62.300 0.315 0.000 1.066 385 V CB 0.893 32.843 31.823 0.212 0.000 0.968 385 V HN 0.675 nan 8.190 nan 0.000 0.483 386 P HA 0.079 nan 4.420 nan 0.000 0.269 386 P C -0.750 176.348 177.300 -0.337 0.000 1.217 386 P CA 0.055 62.813 63.100 -0.570 0.000 0.783 386 P CB -0.028 31.246 31.700 -0.711 0.000 0.898 387 Y N -1.168 118.793 120.300 -0.565 0.000 2.983 387 Y HA -0.203 4.347 4.550 -0.000 0.000 0.185 387 Y C -1.224 174.595 175.900 -0.136 0.000 1.476 387 Y CA -0.462 57.467 58.100 -0.284 0.000 0.866 387 Y CB -2.562 35.761 38.460 -0.228 0.000 1.331 387 Y HN 0.528 nan 8.280 nan 0.000 0.403 388 P HA -0.221 nan 4.420 nan 0.000 0.218 388 P C 0.253 177.597 177.300 0.073 0.000 1.165 388 P CA 2.215 65.373 63.100 0.097 0.000 0.922 388 P CB 0.163 31.950 31.700 0.146 0.000 0.794 389 R N -0.500 120.032 120.500 0.054 0.000 2.724 389 R HA 0.565 4.905 4.340 -0.000 0.000 0.284 389 R C -0.421 175.874 176.300 -0.010 0.000 1.481 389 R CA -0.201 55.915 56.100 0.026 0.000 1.652 389 R CB 0.376 30.691 30.300 0.025 0.000 1.175 389 R HN 0.216 nan 8.270 nan 0.000 0.613 390 I N 0.380 120.942 120.570 -0.014 0.000 2.724 390 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 390 I C -2.869 173.208 176.117 -0.067 0.000 1.388 390 I CA -2.112 59.151 61.300 -0.063 0.000 1.081 390 I CB 2.383 40.314 38.000 -0.114 0.000 1.368 390 I HN 0.164 nan 8.210 nan 0.000 0.429 391 P HA 0.064 nan 4.420 nan 0.000 0.267 391 P C 0.847 178.086 177.300 -0.102 0.000 1.201 391 P CA -0.457 62.603 63.100 -0.066 0.000 0.775 391 P CB 0.567 32.233 31.700 -0.058 0.000 0.854 392 L N 2.102 123.274 121.223 -0.086 0.000 1.990 392 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 392 L C 1.853 178.650 176.870 -0.122 0.000 1.072 392 L CA 2.287 57.060 54.840 -0.111 0.000 0.755 392 L CB -1.670 40.352 42.059 -0.062 0.000 0.889 392 L HN 0.434 nan 8.230 nan 0.000 0.432 393 K N 0.010 120.358 120.400 -0.087 0.000 2.293 393 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 393 K C 1.572 178.112 176.600 -0.101 0.000 1.045 393 K CA 1.212 57.451 56.287 -0.080 0.000 0.933 393 K CB -0.365 32.100 32.500 -0.058 0.000 0.736 393 K HN 0.404 nan 8.250 nan 0.000 0.463 394 D N -0.150 120.175 120.400 -0.125 0.000 2.269 394 D HA -0.002 4.638 4.640 -0.000 0.000 0.220 394 D C 2.007 178.193 176.300 -0.190 0.000 0.962 394 D CA 0.699 54.612 54.000 -0.144 0.000 0.884 394 D CB -0.276 40.434 40.800 -0.149 0.000 1.023 394 D HN -0.085 nan 8.370 nan 0.000 0.484 395 V N 1.772 121.527 119.914 -0.266 0.000 2.243 395 V HA -0.347 3.773 4.120 -0.000 0.000 0.258 395 V C 2.748 178.676 176.094 -0.277 0.000 1.073 395 V CA 1.929 63.986 62.300 -0.405 0.000 1.069 395 V CB -1.052 30.380 31.823 -0.652 0.000 0.681 395 V HN 0.034 nan 8.190 nan 0.000 0.457 396 V N 0.211 119.991 119.914 -0.223 0.000 2.233 396 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 396 V C 0.269 176.300 176.094 -0.104 0.000 1.050 396 V CA 2.955 65.160 62.300 -0.157 0.000 1.010 396 V CB -2.070 29.671 31.823 -0.138 0.000 0.637 396 V HN 0.510 nan 8.190 nan 0.000 0.444 397 P HA -0.153 nan 4.420 nan 0.000 0.216 397 P C 1.785 179.059 177.300 -0.044 0.000 1.153 397 P CA 1.359 64.420 63.100 -0.066 0.000 0.858 397 P CB -0.124 31.534 31.700 -0.070 0.000 0.789 398 R N -0.566 119.897 120.500 -0.061 0.000 2.066 398 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 398 R C 2.193 178.559 176.300 0.110 0.000 1.131 398 R CA 1.056 57.140 56.100 -0.026 0.000 0.955 398 R CB -1.580 28.621 30.300 -0.164 0.000 0.851 398 R HN 0.152 nan 8.270 nan 0.000 0.432 399 V N 1.546 121.532 119.914 0.120 0.000 2.407 399 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 399 V C 1.643 177.808 176.094 0.119 0.000 1.055 399 V CA 1.596 64.009 62.300 0.189 0.000 1.049 399 V CB -0.399 31.529 31.823 0.174 0.000 0.662 399 V HN 0.385 nan 8.190 nan 0.000 0.455 400 E N -0.385 119.838 120.200 0.039 0.000 2.526 400 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 400 E C 1.109 177.732 176.600 0.038 0.000 1.091 400 E CA 0.289 56.698 56.400 0.016 0.000 0.880 400 E CB 0.014 29.697 29.700 -0.028 0.000 0.873 400 E HN 0.523 nan 8.360 nan 0.000 0.527 401 K N -0.586 119.854 120.400 0.066 0.000 2.592 401 K HA 0.157 4.477 4.320 -0.000 0.000 0.203 401 K C 0.406 177.065 176.600 0.098 0.000 1.070 401 K CA 0.236 56.563 56.287 0.067 0.000 1.062 401 K CB 1.526 34.056 32.500 0.050 0.000 0.814 401 K HN 0.160 nan 8.250 nan 0.000 0.502 402 G N 1.640 110.512 108.800 0.119 0.000 2.132 402 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.228 402 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.228 402 G C -0.402 174.571 174.900 0.121 0.000 1.000 402 G CA -0.092 45.080 45.100 0.119 0.000 0.693 402 G HN 0.403 nan 8.290 nan 0.000 0.515 403 Y N 1.877 122.204 120.300 0.044 0.000 2.319 403 Y HA 0.584 5.134 4.550 -0.000 0.000 0.328 403 Y C 0.201 176.085 175.900 -0.026 0.000 1.133 403 Y CA -0.586 57.525 58.100 0.019 0.000 1.265 403 Y CB 0.751 39.221 38.460 0.017 0.000 1.218 403 Y HN 0.104 nan 8.280 nan 0.000 0.508 404 K N 7.189 126.937 120.400 -1.086 0.000 2.464 404 K HA 0.317 4.637 4.320 -0.000 0.000 0.253 404 K C -0.674 175.260 176.600 -1.111 0.000 0.933 404 K CA -0.821 54.913 56.287 -0.921 0.000 0.801 404 K CB 2.122 34.444 32.500 -0.296 0.000 1.271 404 K HN 0.807 nan 8.250 nan 0.000 0.430 405 M N 1.211 120.224 119.600 -0.978 0.000 2.228 405 M HA 0.025 4.505 4.480 -0.000 0.000 0.303 405 M C 0.239 176.477 176.300 -0.103 0.000 1.099 405 M CA 0.587 55.532 55.300 -0.592 0.000 1.171 405 M CB 0.268 32.327 32.600 -0.902 0.000 1.412 405 M HN 0.402 nan 8.290 nan 0.000 0.447 406 D N 0.408 120.823 120.400 0.024 0.000 2.387 406 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 406 D C -0.495 175.758 176.300 -0.080 0.000 1.141 406 D CA -0.186 53.820 54.000 0.009 0.000 0.987 406 D CB 0.727 41.541 40.800 0.022 0.000 1.116 406 D HN 0.633 nan 8.370 nan 0.000 0.491 407 A N 1.366 123.861 122.820 -0.541 0.000 2.451 407 A HA 0.382 4.702 4.320 -0.000 0.000 0.266 407 A C -2.103 175.349 177.584 -0.220 0.000 1.119 407 A CA -0.887 50.727 52.037 -0.704 0.000 0.786 407 A CB -0.423 18.022 19.000 -0.926 0.000 1.061 407 A HN 0.260 nan 8.150 nan 0.000 0.503 408 P HA -0.003 nan 4.420 nan 0.000 0.266 408 P C -0.473 176.784 177.300 -0.071 0.000 1.193 408 P CA 0.096 63.108 63.100 -0.146 0.000 0.770 408 P CB 0.420 31.940 31.700 -0.301 0.000 0.836 409 D N 1.948 122.333 120.400 -0.025 0.000 2.487 409 D HA 0.127 4.767 4.640 -0.000 0.000 0.243 409 D C 1.547 177.876 176.300 0.048 0.000 1.154 409 D CA 1.577 55.580 54.000 0.005 0.000 0.876 409 D CB 0.185 40.993 40.800 0.013 0.000 1.161 409 D HN 0.704 nan 8.370 nan 0.000 0.478 410 G N 2.177 110.997 108.800 0.034 0.000 2.184 410 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.264 410 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.264 410 G C 0.628 175.581 174.900 0.088 0.000 0.975 410 G CA 0.224 45.363 45.100 0.065 0.000 0.642 410 G HN 0.732 nan 8.290 nan 0.000 0.536 411 C N 2.569 121.899 119.300 0.051 0.000 2.629 411 C HA 0.566 5.026 4.460 -0.000 0.000 0.410 411 C C -1.101 173.867 174.990 -0.036 0.000 1.339 411 C CA -1.732 57.298 59.018 0.021 0.000 1.810 411 C CB -0.175 27.520 27.740 -0.074 0.000 2.549 411 C HN 0.390 nan 8.230 nan 0.000 0.589 412 P HA 0.142 nan 4.420 nan 0.000 0.263 412 P C -1.977 175.303 177.300 -0.033 0.000 1.195 412 P CA -0.599 62.488 63.100 -0.022 0.000 0.762 412 P CB 0.280 31.982 31.700 0.003 0.000 0.799 413 P HA -0.254 nan 4.420 nan 0.000 0.216 413 P C 1.214 178.535 177.300 0.034 0.000 1.150 413 P CA 1.796 64.925 63.100 0.049 0.000 0.843 413 P CB -0.173 31.553 31.700 0.043 0.000 0.787 414 A N -0.777 122.047 122.820 0.007 0.000 1.933 414 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 414 A C 2.303 179.851 177.584 -0.061 0.000 1.175 414 A CA 1.749 53.781 52.037 -0.008 0.000 0.628 414 A CB -1.644 17.371 19.000 0.025 0.000 0.814 414 A HN 0.054 nan 8.150 nan 0.000 0.444 415 V N -1.558 118.290 119.914 -0.111 0.000 2.427 415 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 415 V C 2.347 178.318 176.094 -0.204 0.000 1.051 415 V CA 1.872 64.033 62.300 -0.231 0.000 1.048 415 V CB -0.971 30.536 31.823 -0.527 0.000 0.666 415 V HN 0.702 nan 8.190 nan 0.000 0.456 416 Y N 1.427 121.568 120.300 -0.265 0.000 2.293 416 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 416 Y C 2.287 178.042 175.900 -0.241 0.000 1.137 416 Y CA 1.251 59.213 58.100 -0.230 0.000 1.202 416 Y CB -0.442 37.938 38.460 -0.132 0.000 0.990 416 Y HN 0.361 nan 8.280 nan 0.000 0.537 417 D N -0.681 119.578 120.400 -0.234 0.000 2.117 417 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 417 D C 2.396 178.488 176.300 -0.348 0.000 0.987 417 D CA 1.680 55.506 54.000 -0.290 0.000 0.829 417 D CB -0.260 40.457 40.800 -0.138 0.000 0.961 417 D HN 0.297 nan 8.370 nan 0.000 0.460 418 V N 1.309 121.055 119.914 -0.280 0.000 2.343 418 V HA -0.270 3.849 4.120 -0.000 0.000 0.247 418 V C 2.603 178.417 176.094 -0.466 0.000 1.051 418 V CA 1.368 63.509 62.300 -0.266 0.000 1.036 418 V CB -0.432 31.304 31.823 -0.145 0.000 0.654 418 V HN 0.187 nan 8.190 nan 0.000 0.451 419 M N -0.489 118.730 119.600 -0.635 0.000 2.065 419 M HA -0.252 4.228 4.480 -0.000 0.000 0.259 419 M C 2.355 177.685 176.300 -1.617 0.000 1.071 419 M CA 2.098 56.702 55.300 -1.160 0.000 1.109 419 M CB -0.575 31.373 32.600 -1.087 0.000 1.313 419 M HN 0.202 nan 8.290 nan 0.000 0.408 420 K N -0.189 119.477 120.400 -1.223 0.000 2.113 420 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 420 K C 1.719 177.857 176.600 -0.769 0.000 1.047 420 K CA 1.480 57.262 56.287 -0.841 0.000 0.928 420 K CB -0.470 31.622 32.500 -0.679 0.000 0.716 420 K HN 0.259 nan 8.250 nan 0.000 0.446 421 N N 0.916 119.216 118.700 -0.666 0.000 2.244 421 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 421 N C 1.337 176.573 175.510 -0.458 0.000 1.016 421 N CA 0.993 53.725 53.050 -0.530 0.000 0.866 421 N CB -0.209 38.131 38.487 -0.245 0.000 0.980 421 N HN 0.153 nan 8.380 nan 0.000 0.430 422 C N -0.626 118.343 119.300 -0.552 0.000 2.456 422 C HA 0.066 4.526 4.460 -0.000 0.000 0.279 422 C C 1.133 175.931 174.990 -0.320 0.000 1.427 422 C CA -0.302 58.477 59.018 -0.398 0.000 1.778 422 C CB -1.285 26.183 27.740 -0.455 0.000 1.842 422 C HN 0.550 nan 8.230 nan 0.000 0.531 423 W N 0.616 121.606 121.300 -0.516 0.000 3.305 423 W HA 0.293 4.953 4.660 -0.000 0.000 0.392 423 W C 0.738 177.160 176.519 -0.163 0.000 1.121 423 W CA -0.855 56.094 57.345 -0.660 0.000 1.909 423 W CB -1.448 27.501 29.460 -0.851 0.000 1.065 423 W HN 0.436 nan 8.180 nan 0.000 0.714 424 H N 0.778 119.967 119.070 0.198 0.000 2.790 424 H HA 0.057 4.613 4.556 -0.000 0.000 0.358 424 H C 1.462 176.979 175.328 0.315 0.000 1.103 424 H CA 0.546 56.706 56.048 0.188 0.000 1.426 424 H CB 1.563 31.381 29.762 0.094 0.000 1.424 424 H HN -0.039 nan 8.280 nan 0.000 0.599 425 L N 0.429 121.873 121.223 0.369 0.000 2.240 425 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 425 L C 1.008 177.981 176.870 0.172 0.000 1.106 425 L CA 0.621 55.620 54.840 0.264 0.000 0.793 425 L CB -0.003 42.158 42.059 0.169 0.000 0.927 425 L HN 0.511 nan 8.230 nan 0.000 0.446 426 D N 0.913 121.405 120.400 0.154 0.000 2.402 426 D HA 0.146 4.786 4.640 -0.000 0.000 0.235 426 D C 1.089 177.450 176.300 0.102 0.000 1.226 426 D CA 0.354 54.402 54.000 0.081 0.000 0.918 426 D CB 1.605 42.420 40.800 0.025 0.000 1.043 426 D HN 0.111 nan 8.370 nan 0.000 0.506 427 A N 4.433 127.308 122.820 0.091 0.000 1.896 427 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 427 A C 2.131 179.757 177.584 0.069 0.000 1.206 427 A CA 2.315 54.410 52.037 0.097 0.000 0.647 427 A CB -0.746 18.288 19.000 0.056 0.000 0.828 427 A HN 0.665 nan 8.150 nan 0.000 0.455 428 A N -1.756 121.084 122.820 0.033 0.000 2.178 428 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 428 A C 2.003 179.584 177.584 -0.004 0.000 1.157 428 A CA 1.981 54.024 52.037 0.010 0.000 0.689 428 A CB -0.897 18.102 19.000 -0.003 0.000 0.787 428 A HN 0.475 nan 8.150 nan 0.000 0.465 429 T N -0.161 114.390 114.554 -0.004 0.000 3.100 429 T HA 0.091 4.441 4.350 -0.000 0.000 0.253 429 T C 0.868 175.583 174.700 0.024 0.000 1.118 429 T CA -0.011 62.052 62.100 -0.062 0.000 1.058 429 T CB -0.062 68.682 68.868 -0.206 0.000 0.953 429 T HN 0.461 nan 8.240 nan 0.000 0.515 430 R N 2.446 123.000 120.500 0.089 0.000 2.539 430 R HA 0.253 4.593 4.340 -0.000 0.000 0.275 430 R C -2.395 173.901 176.300 -0.007 0.000 1.077 430 R CA -1.665 54.493 56.100 0.097 0.000 1.097 430 R CB 0.121 30.477 30.300 0.094 0.000 1.018 430 R HN 0.163 nan 8.270 nan 0.000 0.483 431 P HA 0.009 nan 4.420 nan 0.000 0.274 431 P C -0.387 176.798 177.300 -0.192 0.000 1.237 431 P CA -0.326 62.714 63.100 -0.101 0.000 0.793 431 P CB 0.771 32.410 31.700 -0.101 0.000 0.977 432 T N -1.934 112.524 114.554 -0.159 0.000 2.816 432 T HA 0.258 4.608 4.350 -0.000 0.000 0.282 432 T C 1.116 175.667 174.700 -0.249 0.000 0.993 432 T CA -0.255 61.732 62.100 -0.188 0.000 0.994 432 T CB -0.074 68.756 68.868 -0.064 0.000 1.025 432 T HN 0.186 nan 8.240 nan 0.000 0.529 433 F N -0.332 119.574 119.950 -0.074 0.000 2.293 433 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 433 F C 2.233 177.969 175.800 -0.107 0.000 1.086 433 F CA 0.531 58.448 58.000 -0.140 0.000 1.375 433 F CB -0.287 38.618 39.000 -0.157 0.000 1.045 433 F HN 0.451 nan 8.300 nan 0.000 0.516 434 L N -0.106 121.171 121.223 0.090 0.000 2.093 434 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 434 L C 2.253 179.132 176.870 0.016 0.000 1.085 434 L CA 1.496 56.367 54.840 0.051 0.000 0.755 434 L CB -0.343 41.739 42.059 0.038 0.000 0.904 434 L HN 0.164 nan 8.230 nan 0.000 0.435 435 Q N -0.379 119.412 119.800 -0.015 0.000 2.119 435 Q HA -0.189 4.151 4.340 -0.000 0.000 0.201 435 Q C 2.289 178.272 176.000 -0.027 0.000 0.972 435 Q CA 1.563 57.348 55.803 -0.029 0.000 0.847 435 Q CB -0.140 28.568 28.738 -0.050 0.000 0.903 435 Q HN 0.547 nan 8.270 nan 0.000 0.433 436 L N 0.215 121.413 121.223 -0.043 0.000 2.017 436 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 436 L C 2.688 179.573 176.870 0.025 0.000 1.073 436 L CA 1.254 56.081 54.840 -0.022 0.000 0.745 436 L CB -0.415 41.593 42.059 -0.084 0.000 0.894 436 L HN 0.196 nan 8.230 nan 0.000 0.432 437 R N 0.280 120.796 120.500 0.027 0.000 2.094 437 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 437 R C 2.171 178.498 176.300 0.046 0.000 1.137 437 R CA 2.004 58.131 56.100 0.045 0.000 0.943 437 R CB -0.190 30.138 30.300 0.046 0.000 0.850 437 R HN 0.436 nan 8.270 nan 0.000 0.433 438 E N -0.271 119.951 120.200 0.036 0.000 2.110 438 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 438 E C 2.038 178.675 176.600 0.061 0.000 0.988 438 E CA 1.088 57.512 56.400 0.041 0.000 0.804 438 E CB -0.033 29.679 29.700 0.020 0.000 0.745 438 E HN 0.275 nan 8.360 nan 0.000 0.458 439 Q N 1.164 120.990 119.800 0.043 0.000 2.046 439 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 439 Q C 2.098 178.160 176.000 0.103 0.000 0.975 439 Q CA 1.281 57.122 55.803 0.064 0.000 0.836 439 Q CB -0.299 28.450 28.738 0.018 0.000 0.896 439 Q HN 0.271 nan 8.270 nan 0.000 0.428 440 L N 0.262 121.529 121.223 0.072 0.000 2.131 440 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 440 L C 2.220 179.103 176.870 0.022 0.000 1.092 440 L CA 1.506 56.379 54.840 0.055 0.000 0.759 440 L CB -0.417 41.696 42.059 0.091 0.000 0.903 440 L HN 0.319 nan 8.230 nan 0.000 0.435 441 E N -1.110 119.115 120.200 0.042 0.000 2.107 441 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 441 E C 1.962 178.570 176.600 0.014 0.000 0.982 441 E CA 0.851 57.258 56.400 0.011 0.000 0.809 441 E CB -0.113 29.602 29.700 0.026 0.000 0.756 441 E HN 0.496 nan 8.360 nan 0.000 0.459 442 H N 1.414 120.476 119.070 -0.013 0.000 2.290 442 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 442 H C 1.966 177.315 175.328 0.034 0.000 1.087 442 H CA 1.839 57.906 56.048 0.031 0.000 1.291 442 H CB -0.229 29.582 29.762 0.082 0.000 1.369 442 H HN 0.044 nan 8.280 nan 0.000 0.492 443 I N 0.018 120.606 120.570 0.030 0.000 2.151 443 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 443 I C 2.849 178.870 176.117 -0.160 0.000 1.080 443 I CA 1.775 63.047 61.300 -0.046 0.000 1.339 443 I CB -0.398 37.590 38.000 -0.019 0.000 1.039 443 I HN 0.306 nan 8.210 nan 0.000 0.409 444 R N 0.459 120.812 120.500 -0.246 0.000 2.073 444 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 444 R C 2.324 178.516 176.300 -0.179 0.000 1.134 444 R CA 2.176 58.076 56.100 -0.333 0.000 0.952 444 R CB -0.306 29.843 30.300 -0.252 0.000 0.850 444 R HN 0.282 nan 8.270 nan 0.000 0.433 445 T N 0.125 114.531 114.554 -0.247 0.000 2.759 445 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 445 T C 1.030 175.462 174.700 -0.448 0.000 1.042 445 T CA 1.272 63.154 62.100 -0.363 0.000 1.140 445 T CB -0.238 68.317 68.868 -0.522 0.000 0.864 445 T HN 0.403 nan 8.240 nan 0.000 0.455 446 H N 0.690 119.676 119.070 -0.140 0.000 2.520 446 H HA 0.268 4.823 4.556 -0.000 0.000 0.284 446 H C 0.452 175.770 175.328 -0.017 0.000 1.037 446 H CA -0.021 55.959 56.048 -0.113 0.000 1.168 446 H CB -0.016 29.607 29.762 -0.231 0.000 1.497 446 H HN 0.536 nan 8.280 nan 0.000 0.547 447 E N 0.591 120.866 120.200 0.126 0.000 2.440 447 E HA -0.214 4.136 4.350 -0.000 0.000 0.246 447 E C 0.635 177.381 176.600 0.243 0.000 1.165 447 E CA 0.018 56.571 56.400 0.257 0.000 0.726 447 E CB -1.528 28.238 29.700 0.110 0.000 1.271 447 E HN 0.450 nan 8.360 nan 0.000 0.397 448 L N 0.289 121.653 121.223 0.234 0.000 2.551 448 L HA -0.116 4.224 4.340 -0.000 0.000 0.228 448 L C 2.301 179.286 176.870 0.191 0.000 1.153 448 L CA 0.973 55.905 54.840 0.152 0.000 0.851 448 L CB -0.372 41.745 42.059 0.097 0.000 0.959 448 L HN 0.415 nan 8.230 nan 0.000 0.451 449 H N -1.810 117.273 119.070 0.022 0.000 2.592 449 H HA 0.257 4.813 4.556 -0.000 0.000 0.265 449 H C 0.817 176.174 175.328 0.048 0.000 0.955 449 H CA -0.310 55.763 56.048 0.041 0.000 1.175 449 H CB -0.205 29.597 29.762 0.066 0.000 1.433 449 H HN 0.201 nan 8.280 nan 0.000 0.537 450 L N 0.000 121.044 121.223 -0.298 0.000 2.949 450 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 450 L CA 0.000 54.677 54.840 -0.272 0.000 0.813 450 L CB 0.000 41.864 42.059 -0.325 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502