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 3hkd_1_D DATA FIRST_RESID 2 DATA SEQUENCE REIVHIQAGQ CGNQIGAKFW EVISDEHGID PTGSYHGDSD LQLXXERINV DATA SEQUENCE YYNEATGNKY VPRAILVDLE PGTMDSVRSG PFGQIFRPDN FVFGQSGAGN DATA SEQUENCE NWAKGHYTEG AELVDSVLDV VRKESESCDC LQGFQLTHSL GGGTGSGMGT DATA SEQUENCE LLISKIREEY PDRIMNTFSV MPSPKVSDTV VEPYNATLSV HQLVENTDET DATA SEQUENCE YSIDNEALYD ICFRTLKLTT PTYGDLNHLV SATMSGVTTC LRFPGQLNAD DATA SEQUENCE LRKLAVNMVP FPRLHFFMPG FAPLTSRGSQ QYRALTVPEL TQQMFDSKNM DATA SEQUENCE MAACDPRHGR YLTVAAVFRG RMSMKEVDEQ MLNVQNKNSS YFVEWIPNNV DATA SEQUENCE KTAVCDIPPX XXXXXXXRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR DATA SEQUENCE KAFLHWYTGE GMDEMEFTEA ESNMNDLVSE YQQYQDA 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.259 176.300 -0.069 0.000 0.893 2 R CA 0.000 56.068 56.100 -0.053 0.000 0.921 2 R CB 0.000 30.265 30.300 -0.059 0.000 0.687 3 E N 0.435 120.570 120.200 -0.109 0.000 3.546 3 E HA 0.247 4.597 4.350 -0.000 0.000 0.348 3 E C -1.965 174.506 176.600 -0.216 0.000 1.092 3 E CA -0.237 56.082 56.400 -0.134 0.000 0.878 3 E CB 1.789 31.422 29.700 -0.112 0.000 1.210 3 E HN 0.176 nan 8.360 nan 0.000 0.497 4 I N 2.413 122.814 120.570 -0.281 0.000 2.533 4 I HA 0.692 4.862 4.170 -0.000 0.000 0.290 4 I C -0.954 174.995 176.117 -0.280 0.000 1.056 4 I CA -0.743 60.345 61.300 -0.355 0.000 1.057 4 I CB 1.487 39.208 38.000 -0.465 0.000 1.240 4 I HN 0.318 nan 8.210 nan 0.000 0.423 5 V N 5.401 125.235 119.914 -0.133 0.000 2.997 5 V HA 0.569 4.688 4.120 -0.000 0.000 0.311 5 V C -1.056 175.146 176.094 0.179 0.000 1.066 5 V CA -0.048 62.292 62.300 0.066 0.000 1.039 5 V CB 1.540 33.475 31.823 0.187 0.000 1.081 5 V HN 0.995 nan 8.190 nan 0.000 0.467 6 H N 3.360 122.485 119.070 0.093 0.000 2.689 6 H HA 0.575 5.131 4.556 -0.000 0.000 0.346 6 H C -1.610 173.760 175.328 0.069 0.000 1.037 6 H CA -0.939 55.167 56.048 0.096 0.000 1.234 6 H CB 1.849 31.726 29.762 0.191 0.000 1.572 6 H HN 0.757 nan 8.280 nan 0.000 0.524 7 I N 4.463 124.941 120.570 -0.153 0.000 2.433 7 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 7 I C -0.562 175.332 176.117 -0.371 0.000 1.001 7 I CA -0.363 60.768 61.300 -0.282 0.000 1.119 7 I CB 1.938 39.837 38.000 -0.169 0.000 1.289 7 I HN 0.573 nan 8.210 nan 0.000 0.438 8 Q N 6.760 126.318 119.800 -0.403 0.000 2.533 8 Q HA 0.663 5.003 4.340 -0.000 0.000 0.251 8 Q C -1.913 173.991 176.000 -0.161 0.000 0.966 8 Q CA -0.620 55.017 55.803 -0.278 0.000 0.714 8 Q CB 1.693 30.194 28.738 -0.395 0.000 1.284 8 Q HN 0.749 nan 8.270 nan 0.000 0.478 9 A N 2.346 125.120 122.820 -0.076 0.000 2.319 9 A HA 0.927 5.247 4.320 -0.000 0.000 0.310 9 A C -0.086 177.498 177.584 -0.001 0.000 1.152 9 A CA -0.002 51.993 52.037 -0.071 0.000 0.783 9 A CB 1.299 20.234 19.000 -0.108 0.000 1.184 9 A HN 1.040 nan 8.150 nan 0.000 0.474 10 G N 1.119 109.911 108.800 -0.013 0.000 2.742 10 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.686 10 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.686 10 G C 0.399 175.301 174.900 0.003 0.000 1.220 10 G CA 0.128 45.235 45.100 0.012 0.000 0.783 10 G HN 1.033 nan 8.290 nan 0.000 0.646 11 Q N -0.084 119.710 119.800 -0.011 0.000 2.118 11 Q HA -0.280 4.059 4.340 -0.000 0.000 0.211 11 Q C 2.740 178.710 176.000 -0.051 0.000 0.998 11 Q CA 3.219 59.001 55.803 -0.034 0.000 0.872 11 Q CB -0.270 28.434 28.738 -0.056 0.000 0.925 11 Q HN 1.117 nan 8.270 nan 0.000 0.414 12 C N -0.461 118.808 119.300 -0.052 0.000 2.486 12 C HA 0.088 4.548 4.460 -0.000 0.000 0.279 12 C C 2.724 177.730 174.990 0.026 0.000 1.302 12 C CA 1.020 60.010 59.018 -0.047 0.000 1.720 12 C CB -1.383 26.333 27.740 -0.039 0.000 2.030 12 C HN 0.728 nan 8.230 nan 0.000 0.490 13 G N 0.136 108.972 108.800 0.059 0.000 2.432 13 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 13 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 13 G C 1.491 176.431 174.900 0.067 0.000 1.135 13 G CA 1.219 46.376 45.100 0.096 0.000 0.767 13 G HN 0.687 nan 8.290 nan 0.000 0.550 14 N N -0.470 118.249 118.700 0.032 0.000 2.220 14 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 14 N C 2.087 177.633 175.510 0.060 0.000 1.023 14 N CA 0.921 53.982 53.050 0.018 0.000 0.856 14 N CB -0.142 38.333 38.487 -0.019 0.000 0.997 14 N HN 0.333 nan 8.380 nan 0.000 0.429 15 Q N 0.152 119.984 119.800 0.052 0.000 2.364 15 Q HA 0.038 4.378 4.340 -0.000 0.000 0.207 15 Q C 1.438 177.500 176.000 0.103 0.000 0.970 15 Q CA 0.891 56.740 55.803 0.077 0.000 0.888 15 Q CB 0.041 28.807 28.738 0.047 0.000 0.951 15 Q HN 0.362 nan 8.270 nan 0.000 0.469 16 I N -0.529 120.098 120.570 0.096 0.000 2.277 16 I HA -0.073 4.097 4.170 -0.000 0.000 0.243 16 I C 2.086 178.294 176.117 0.150 0.000 1.094 16 I CA 1.340 62.700 61.300 0.100 0.000 1.393 16 I CB -0.514 37.528 38.000 0.070 0.000 1.078 16 I HN 0.364 nan 8.210 nan 0.000 0.417 17 G N 0.010 108.916 108.800 0.176 0.000 2.446 17 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 17 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 17 G C 1.819 177.013 174.900 0.490 0.000 1.168 17 G CA 0.897 46.183 45.100 0.310 0.000 0.771 17 G HN 0.508 nan 8.290 nan 0.000 0.551 18 A N 0.951 123.991 122.820 0.367 0.000 1.873 18 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 18 A C 2.404 180.226 177.584 0.396 0.000 1.193 18 A CA 2.226 54.523 52.037 0.434 0.000 0.629 18 A CB -0.377 18.795 19.000 0.286 0.000 0.826 18 A HN 0.279 nan 8.150 nan 0.000 0.447 19 K N -1.285 119.265 120.400 0.251 0.000 2.057 19 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 19 K C 1.773 178.446 176.600 0.121 0.000 1.049 19 K CA 1.277 57.655 56.287 0.151 0.000 0.931 19 K CB -0.824 31.734 32.500 0.097 0.000 0.714 19 K HN 0.524 nan 8.250 nan 0.000 0.440 20 F N 0.727 120.655 119.950 -0.037 0.000 2.024 20 F HA -0.329 4.198 4.527 -0.001 0.000 0.296 20 F C 2.166 177.873 175.800 -0.154 0.000 1.137 20 F CA 1.966 59.846 58.000 -0.201 0.000 1.200 20 F CB -0.723 38.066 39.000 -0.351 0.000 0.954 20 F HN 0.061 nan 8.300 nan 0.000 0.497 21 W N 1.025 122.535 121.300 0.349 0.000 2.318 21 W HA -0.238 4.422 4.660 0.000 0.000 0.313 21 W C 2.759 179.295 176.519 0.030 0.000 1.221 21 W CA 1.880 59.378 57.345 0.256 0.000 1.266 21 W CB -0.664 29.060 29.460 0.441 0.000 1.150 21 W HN 0.359 nan 8.180 nan 0.000 0.496 22 E N -0.370 119.967 120.200 0.228 0.000 2.274 22 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 22 E C 1.826 178.302 176.600 -0.207 0.000 0.996 22 E CA 1.366 57.685 56.400 -0.135 0.000 0.840 22 E CB -0.520 28.990 29.700 -0.317 0.000 0.772 22 E HN 0.181 nan 8.360 nan 0.000 0.491 23 V N 2.207 122.021 119.914 -0.167 0.000 2.407 23 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 23 V C 2.507 178.481 176.094 -0.200 0.000 1.041 23 V CA 1.522 63.706 62.300 -0.192 0.000 1.040 23 V CB -0.334 31.370 31.823 -0.198 0.000 0.671 23 V HN 0.516 nan 8.190 nan 0.000 0.455 24 I N -2.028 118.335 120.570 -0.344 0.000 2.546 24 I HA -0.110 4.060 4.170 -0.000 0.000 0.255 24 I C 2.303 178.441 176.117 0.036 0.000 1.163 24 I CA 1.733 62.870 61.300 -0.273 0.000 1.457 24 I CB -0.326 37.256 38.000 -0.698 0.000 1.092 24 I HN 0.152 nan 8.210 nan 0.000 0.434 25 S N 0.736 116.504 115.700 0.115 0.000 2.423 25 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 25 S C 1.530 176.241 174.600 0.184 0.000 1.014 25 S CA 1.704 60.067 58.200 0.272 0.000 0.965 25 S CB -0.441 63.044 63.200 0.475 0.000 0.785 25 S HN 0.721 nan 8.310 nan 0.000 0.495 26 D N 0.804 121.238 120.400 0.056 0.000 2.103 26 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 26 D C 1.897 178.265 176.300 0.114 0.000 0.978 26 D CA 1.152 55.187 54.000 0.059 0.000 0.829 26 D CB -0.084 40.699 40.800 -0.029 0.000 0.981 26 D HN 0.320 nan 8.370 nan 0.000 0.464 27 E N -0.909 119.362 120.200 0.118 0.000 2.097 27 E HA -0.215 4.134 4.350 -0.000 0.000 0.196 27 E C 2.017 178.708 176.600 0.152 0.000 1.000 27 E CA 1.254 57.748 56.400 0.157 0.000 0.804 27 E CB -0.019 29.830 29.700 0.247 0.000 0.740 27 E HN 0.551 nan 8.360 nan 0.000 0.454 28 H N -1.444 117.651 119.070 0.041 0.000 2.436 28 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 28 H C 0.719 176.048 175.328 0.002 0.000 1.048 28 H CA 0.718 56.722 56.048 -0.073 0.000 1.353 28 H CB 0.453 30.048 29.762 -0.278 0.000 1.414 28 H HN 0.257 nan 8.280 nan 0.000 0.536 29 G N 1.376 110.318 108.800 0.237 0.000 2.846 29 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.254 29 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.254 29 G C -0.898 174.197 174.900 0.324 0.000 1.017 29 G CA -0.297 44.987 45.100 0.307 0.000 1.188 29 G HN 0.187 nan 8.290 nan 0.000 0.518 30 I N 1.727 122.474 120.570 0.295 0.000 2.533 30 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 30 I C -0.171 176.099 176.117 0.255 0.000 1.056 30 I CA -0.899 60.556 61.300 0.258 0.000 1.057 30 I CB 1.840 39.957 38.000 0.194 0.000 1.240 30 I HN 0.279 nan 8.210 nan 0.000 0.423 31 D N 7.664 128.128 120.400 0.107 0.000 2.449 31 D HA 0.034 4.674 4.640 -0.000 0.000 0.236 31 D C -1.520 174.582 176.300 -0.329 0.000 1.149 31 D CA -1.206 52.790 54.000 -0.007 0.000 0.878 31 D CB 0.356 41.138 40.800 -0.030 0.000 1.198 31 D HN 0.257 nan 8.370 nan 0.000 0.446 32 P HA -0.170 nan 4.420 nan 0.000 0.219 32 P C 0.633 177.555 177.300 -0.630 0.000 1.145 32 P CA 1.539 63.970 63.100 -1.115 0.000 0.813 32 P CB 0.364 31.786 31.700 -0.463 0.000 0.771 33 T N -3.035 111.319 114.554 -0.333 0.000 3.330 33 T HA 0.263 4.613 4.350 -0.000 0.000 0.240 33 T C 1.341 175.963 174.700 -0.130 0.000 0.988 33 T CA 0.523 62.501 62.100 -0.204 0.000 1.253 33 T CB -0.893 67.900 68.868 -0.125 0.000 1.163 33 T HN 0.009 nan 8.240 nan 0.000 0.382 34 G N 2.065 110.810 108.800 -0.091 0.000 2.326 34 G HA2 0.281 4.240 3.960 -0.000 0.000 0.232 34 G HA3 0.281 4.240 3.960 -0.000 0.000 0.232 34 G C 0.706 175.589 174.900 -0.029 0.000 1.559 34 G CA 0.738 45.803 45.100 -0.058 0.000 1.031 34 G HN 0.663 nan 8.290 nan 0.000 0.498 35 S N -2.267 113.418 115.700 -0.024 0.000 2.841 35 S HA 0.496 4.965 4.470 -0.000 0.000 0.274 35 S C -0.398 174.289 174.600 0.145 0.000 1.044 35 S CA -0.646 57.552 58.200 -0.003 0.000 0.952 35 S CB 0.560 63.669 63.200 -0.152 0.000 1.331 35 S HN 0.562 nan 8.310 nan 0.000 0.610 36 Y N 1.926 122.234 120.300 0.014 0.000 2.511 36 Y HA 0.393 4.942 4.550 -0.000 0.000 0.332 36 Y C 0.360 176.283 175.900 0.038 0.000 1.177 36 Y CA 0.671 58.809 58.100 0.064 0.000 1.422 36 Y CB -0.687 37.825 38.460 0.086 0.000 1.271 36 Y HN 0.910 nan 8.280 nan 0.000 0.550 37 H N 1.639 120.669 119.070 -0.067 0.000 3.239 37 H HA 0.691 5.247 4.556 -0.000 0.000 0.320 37 H C -0.366 174.783 175.328 -0.298 0.000 1.074 37 H CA -0.600 55.288 56.048 -0.267 0.000 1.553 37 H CB 0.855 30.578 29.762 -0.065 0.000 1.752 37 H HN 1.200 nan 8.280 nan 0.000 0.513 38 G N 0.679 109.116 108.800 -0.605 0.000 2.443 38 G HA2 0.324 4.284 3.960 -0.000 0.000 0.303 38 G HA3 0.324 4.284 3.960 -0.000 0.000 0.303 38 G C -0.328 174.431 174.900 -0.235 0.000 1.613 38 G CA -0.022 44.924 45.100 -0.255 0.000 0.879 38 G HN 0.526 nan 8.290 nan 0.000 0.632 39 D N -0.006 120.360 120.400 -0.056 0.000 2.312 39 D HA 0.114 4.754 4.640 -0.000 0.000 0.211 39 D C 1.635 177.974 176.300 0.065 0.000 0.964 39 D CA 1.002 54.993 54.000 -0.015 0.000 0.877 39 D CB 0.319 41.112 40.800 -0.011 0.000 0.924 39 D HN 0.364 nan 8.370 nan 0.000 0.515 40 S N -0.340 115.442 115.700 0.137 0.000 2.589 40 S HA 0.054 4.524 4.470 -0.000 0.000 0.265 40 S C 0.679 175.436 174.600 0.262 0.000 1.342 40 S CA -0.227 58.070 58.200 0.162 0.000 1.005 40 S CB 1.184 64.465 63.200 0.134 0.000 0.909 40 S HN 0.224 nan 8.310 nan 0.000 0.555 41 D N -0.758 119.735 120.400 0.155 0.000 2.401 41 D HA 0.219 4.859 4.640 -0.000 0.000 0.269 41 D C 1.457 177.792 176.300 0.059 0.000 1.117 41 D CA -0.000 54.086 54.000 0.143 0.000 0.829 41 D CB -0.007 40.861 40.800 0.113 0.000 1.350 41 D HN 0.317 nan 8.370 nan 0.000 0.529 42 L N 1.234 122.483 121.223 0.044 0.000 1.910 42 L HA -0.236 4.104 4.340 -0.000 0.000 0.221 42 L C 2.166 179.048 176.870 0.020 0.000 1.084 42 L CA 2.079 56.943 54.840 0.041 0.000 0.779 42 L CB -0.966 41.119 42.059 0.044 0.000 0.888 42 L HN 0.240 nan 8.230 nan 0.000 0.432 43 Q N -0.089 119.737 119.800 0.042 0.000 2.669 43 Q HA -0.322 4.017 4.340 -0.000 0.000 0.241 43 Q C 1.175 177.078 176.000 -0.162 0.000 1.160 43 Q CA 2.171 57.896 55.803 -0.130 0.000 1.028 43 Q CB -1.821 26.751 28.738 -0.278 0.000 0.923 43 Q HN 0.449 nan 8.270 nan 0.000 0.585 48 R N 0.870 121.371 120.500 0.000 0.000 2.577 48 R HA 0.431 4.771 4.340 -0.000 0.000 0.344 48 R C 1.699 178.024 176.300 0.042 0.000 1.037 48 R CA -0.037 56.071 56.100 0.013 0.000 1.102 48 R CB 0.723 31.024 30.300 0.002 0.000 1.313 48 R HN 0.147 nan 8.270 nan 0.000 0.561 49 I N 1.249 121.824 120.570 0.008 0.000 2.761 49 I HA -0.181 3.989 4.170 -0.000 0.000 0.261 49 I C 1.768 177.854 176.117 -0.051 0.000 1.198 49 I CA 0.671 61.914 61.300 -0.095 0.000 1.482 49 I CB 0.089 37.895 38.000 -0.324 0.000 1.100 49 I HN 0.048 nan 8.210 nan 0.000 0.445 50 N N 0.510 119.196 118.700 -0.024 0.000 2.132 50 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 50 N C 1.769 177.299 175.510 0.033 0.000 1.015 50 N CA 1.652 54.707 53.050 0.008 0.000 0.864 50 N CB -0.343 38.152 38.487 0.012 0.000 1.006 50 N HN 0.285 nan 8.380 nan 0.000 0.430 51 V N -1.002 118.946 119.914 0.057 0.000 2.323 51 V HA -0.131 3.988 4.120 -0.000 0.000 0.244 51 V C 1.063 177.152 176.094 -0.009 0.000 1.041 51 V CA 1.492 63.806 62.300 0.024 0.000 1.025 51 V CB -0.328 31.536 31.823 0.069 0.000 0.656 51 V HN 0.350 nan 8.190 nan 0.000 0.451 52 Y N -1.938 118.380 120.300 0.030 0.000 2.458 52 Y HA 0.317 4.867 4.550 -0.000 0.000 0.256 52 Y C -0.384 175.484 175.900 -0.055 0.000 1.159 52 Y CA -0.392 57.706 58.100 -0.003 0.000 1.261 52 Y CB 0.587 38.985 38.460 -0.104 0.000 1.119 52 Y HN 0.283 nan 8.280 nan 0.000 0.524 53 Y N -0.012 120.352 120.300 0.107 0.000 2.349 53 Y HA 0.279 4.829 4.550 -0.001 0.000 0.324 53 Y C -0.411 175.484 175.900 -0.008 0.000 1.005 53 Y CA -1.624 56.494 58.100 0.029 0.000 1.240 53 Y CB 0.605 38.960 38.460 -0.176 0.000 1.117 53 Y HN -0.167 nan 8.280 nan 0.000 0.463 54 N N 3.440 122.212 118.700 0.120 0.000 2.442 54 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 54 N C -0.706 174.895 175.510 0.151 0.000 1.138 54 N CA -0.268 52.842 53.050 0.101 0.000 0.956 54 N CB 0.706 39.226 38.487 0.055 0.000 1.067 54 N HN 0.672 nan 8.380 nan 0.000 0.474 55 E N 1.381 121.695 120.200 0.190 0.000 2.249 55 E HA 0.638 4.988 4.350 -0.000 0.000 0.280 55 E C -0.546 176.136 176.600 0.136 0.000 1.016 55 E CA -0.938 55.620 56.400 0.264 0.000 0.830 55 E CB 1.159 31.112 29.700 0.421 0.000 1.081 55 E HN 0.449 nan 8.360 nan 0.000 0.395 56 A N 2.230 125.110 122.820 0.100 0.000 2.373 56 A HA 0.817 5.137 4.320 -0.000 0.000 0.291 56 A C 0.552 178.146 177.584 0.017 0.000 1.171 56 A CA -0.192 51.873 52.037 0.048 0.000 0.922 56 A CB 0.215 19.237 19.000 0.037 0.000 1.400 56 A HN 0.843 nan 8.150 nan 0.000 0.474 57 T N -1.516 113.042 114.554 0.007 0.000 2.734 57 T HA 0.564 4.914 4.350 -0.000 0.000 0.314 57 T C 1.410 176.096 174.700 -0.024 0.000 1.057 57 T CA 1.274 63.370 62.100 -0.007 0.000 1.047 57 T CB -0.401 68.465 68.868 -0.002 0.000 0.991 57 T HN 2.534 nan 8.240 nan 0.000 0.540 58 G N -0.222 108.560 108.800 -0.029 0.000 2.531 58 G HA2 0.000 3.960 3.960 -0.000 0.000 0.274 58 G HA3 0.000 3.960 3.960 -0.000 0.000 0.274 58 G C 1.087 175.947 174.900 -0.067 0.000 1.159 58 G CA 1.342 46.418 45.100 -0.040 0.000 0.969 58 G HN 1.669 nan 8.290 nan 0.000 0.554 59 N N -0.455 118.193 118.700 -0.086 0.000 2.242 59 N HA 0.410 5.150 4.740 -0.000 0.000 0.198 59 N C 0.904 176.290 175.510 -0.207 0.000 1.042 59 N CA 2.071 55.034 53.050 -0.144 0.000 0.964 59 N CB -0.593 37.818 38.487 -0.127 0.000 1.156 59 N HN 1.622 nan 8.380 nan 0.000 0.503 60 K N -2.985 117.304 120.400 -0.186 0.000 2.598 60 K HA -0.171 4.149 4.320 -0.000 0.000 0.593 60 K C -0.736 175.801 176.600 -0.104 0.000 2.574 60 K CA 1.047 57.264 56.287 -0.116 0.000 1.992 60 K CB -1.210 31.262 32.500 -0.047 0.000 2.737 60 K HN 0.834 nan 8.250 nan 0.000 0.172 61 Y N -0.873 119.429 120.300 0.003 0.000 2.532 61 Y HA 0.002 4.552 4.550 -0.000 0.000 0.282 61 Y C 0.431 176.408 175.900 0.129 0.000 1.013 61 Y CA 0.066 58.190 58.100 0.041 0.000 1.159 61 Y CB 1.078 39.521 38.460 -0.028 0.000 1.393 61 Y HN 0.484 nan 8.280 nan 0.000 0.580 62 V N 4.536 124.573 119.914 0.205 0.000 3.972 62 V HA -0.185 3.934 4.120 -0.000 0.000 0.401 62 V C -2.549 173.547 176.094 0.004 0.000 1.430 62 V CA -0.809 61.522 62.300 0.052 0.000 1.803 62 V CB 0.043 31.864 31.823 -0.003 0.000 1.686 62 V HN 0.103 nan 8.190 nan 0.000 0.457 63 P HA 0.061 nan 4.420 nan 0.000 0.269 63 P C -0.391 176.756 177.300 -0.254 0.000 1.211 63 P CA 0.011 62.735 63.100 -0.628 0.000 0.781 63 P CB 0.311 31.047 31.700 -1.607 0.000 0.877 64 R N 0.928 121.391 120.500 -0.062 0.000 3.171 64 R HA 0.532 4.872 4.340 -0.000 0.000 0.241 64 R C -0.529 175.848 176.300 0.129 0.000 1.421 64 R CA -0.091 56.033 56.100 0.041 0.000 1.444 64 R CB -0.613 29.726 30.300 0.066 0.000 1.247 64 R HN 0.529 nan 8.270 nan 0.000 0.636 65 A N 2.907 125.725 122.820 -0.004 0.000 2.401 65 A HA 0.712 5.032 4.320 -0.000 0.000 0.310 65 A C -1.071 176.400 177.584 -0.188 0.000 1.075 65 A CA -0.734 51.289 52.037 -0.022 0.000 0.746 65 A CB 1.141 20.106 19.000 -0.058 0.000 1.277 65 A HN 0.516 nan 8.150 nan 0.000 0.425 66 I N 1.044 121.456 120.570 -0.263 0.000 2.533 66 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 66 I C -1.388 174.496 176.117 -0.387 0.000 1.056 66 I CA -0.273 60.841 61.300 -0.310 0.000 1.057 66 I CB 2.145 40.015 38.000 -0.216 0.000 1.240 66 I HN 0.452 nan 8.210 nan 0.000 0.423 67 L N 7.226 128.186 121.223 -0.439 0.000 2.316 67 L HA 0.604 4.944 4.340 -0.000 0.000 0.280 67 L C -0.552 176.156 176.870 -0.271 0.000 1.006 67 L CA -0.617 53.985 54.840 -0.396 0.000 0.836 67 L CB 1.324 43.063 42.059 -0.533 0.000 1.221 67 L HN 0.201 nan 8.230 nan 0.000 0.418 68 V N 0.284 120.075 119.914 -0.206 0.000 2.483 68 V HA 0.736 4.856 4.120 -0.000 0.000 0.295 68 V C -0.654 175.378 176.094 -0.104 0.000 1.035 68 V CA -0.406 61.804 62.300 -0.150 0.000 0.896 68 V CB 1.808 33.546 31.823 -0.142 0.000 0.986 68 V HN 0.675 nan 8.190 nan 0.000 0.447 69 D N 1.959 122.319 120.400 -0.068 0.000 2.602 69 D HA 0.555 5.195 4.640 -0.000 0.000 0.236 69 D C -0.406 175.898 176.300 0.006 0.000 1.209 69 D CA -0.555 53.431 54.000 -0.023 0.000 0.831 69 D CB 2.308 43.110 40.800 0.003 0.000 1.478 69 D HN 0.377 nan 8.370 nan 0.000 0.438 70 L N 1.659 122.886 121.223 0.007 0.000 2.848 70 L HA 0.355 4.694 4.340 -0.000 0.000 0.240 70 L C -0.138 176.751 176.870 0.032 0.000 1.232 70 L CA 0.151 54.998 54.840 0.012 0.000 1.031 70 L CB -0.180 41.870 42.059 -0.014 0.000 1.338 70 L HN 0.347 nan 8.230 nan 0.000 0.509 71 E N -1.330 118.909 120.200 0.064 0.000 2.478 71 E HA 0.128 4.478 4.350 -0.000 0.000 0.293 71 E C -2.659 174.022 176.600 0.134 0.000 1.011 71 E CA -1.105 55.337 56.400 0.071 0.000 0.834 71 E CB 1.742 31.460 29.700 0.030 0.000 1.226 71 E HN -0.231 nan 8.360 nan 0.000 0.419 72 P HA -0.272 nan 4.420 nan 0.000 0.212 72 P C 1.442 178.836 177.300 0.156 0.000 1.174 72 P CA 2.601 65.814 63.100 0.188 0.000 0.934 72 P CB -0.383 31.282 31.700 -0.059 0.000 0.791 73 G N 0.107 108.947 108.800 0.066 0.000 3.135 73 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.315 73 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.315 73 G C 1.491 176.425 174.900 0.057 0.000 1.187 73 G CA 3.421 48.549 45.100 0.047 0.000 1.089 73 G HN 0.514 nan 8.290 nan 0.000 0.972 74 T N -1.425 113.162 114.554 0.056 0.000 3.113 74 T HA 0.333 4.683 4.350 -0.000 0.000 0.256 74 T C 2.243 176.977 174.700 0.057 0.000 1.131 74 T CA 1.231 63.358 62.100 0.044 0.000 1.074 74 T CB 0.085 68.965 68.868 0.020 0.000 0.944 74 T HN 0.288 nan 8.240 nan 0.000 0.516 75 M N 1.688 121.336 119.600 0.081 0.000 2.287 75 M HA 0.088 4.568 4.480 -0.000 0.000 0.266 75 M C 0.806 177.131 176.300 0.042 0.000 1.079 75 M CA 1.055 56.396 55.300 0.068 0.000 1.146 75 M CB -0.601 32.010 32.600 0.018 0.000 1.374 75 M HN 0.159 nan 8.290 nan 0.000 0.435 76 D N 0.268 120.706 120.400 0.062 0.000 2.336 76 D HA 0.046 4.685 4.640 -0.000 0.000 0.229 76 D C 1.605 177.932 176.300 0.045 0.000 1.061 76 D CA 0.330 54.347 54.000 0.029 0.000 0.875 76 D CB 0.069 40.889 40.800 0.034 0.000 0.904 76 D HN 0.131 nan 8.370 nan 0.000 0.525 77 S N -0.505 115.233 115.700 0.063 0.000 2.371 77 S HA -0.038 4.432 4.470 -0.000 0.000 0.219 77 S C 2.264 176.927 174.600 0.104 0.000 1.040 77 S CA 0.277 58.520 58.200 0.072 0.000 0.958 77 S CB 0.143 63.382 63.200 0.065 0.000 0.860 77 S HN 0.117 nan 8.310 nan 0.000 0.487 78 V N 2.355 122.347 119.914 0.129 0.000 2.214 78 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 78 V C 2.359 178.590 176.094 0.229 0.000 1.047 78 V CA 1.843 64.265 62.300 0.203 0.000 0.998 78 V CB -0.805 31.144 31.823 0.210 0.000 0.633 78 V HN 0.342 nan 8.190 nan 0.000 0.446 79 R N -0.324 120.294 120.500 0.196 0.000 2.211 79 R HA -0.148 4.191 4.340 -0.000 0.000 0.240 79 R C 2.233 178.598 176.300 0.108 0.000 1.144 79 R CA 1.548 57.744 56.100 0.159 0.000 0.992 79 R CB -0.209 30.082 30.300 -0.014 0.000 0.869 79 R HN 0.505 nan 8.270 nan 0.000 0.462 80 S N -1.428 114.327 115.700 0.091 0.000 2.540 80 S HA 0.177 4.647 4.470 -0.000 0.000 0.218 80 S C 0.689 175.341 174.600 0.088 0.000 0.977 80 S CA 0.170 58.413 58.200 0.071 0.000 0.918 80 S CB 0.886 64.115 63.200 0.049 0.000 0.806 80 S HN 0.563 nan 8.310 nan 0.000 0.496 81 G N 2.133 111.005 108.800 0.120 0.000 2.992 81 G HA2 0.302 4.262 3.960 -0.000 0.000 0.201 81 G HA3 0.302 4.262 3.960 -0.000 0.000 0.201 81 G C -1.216 173.773 174.900 0.148 0.000 2.057 81 G CA 0.124 45.298 45.100 0.123 0.000 0.800 81 G HN 0.385 nan 8.290 nan 0.000 0.700 82 P HA 0.236 nan 4.420 nan 0.000 0.203 82 P C 0.150 177.673 177.300 0.372 0.000 1.206 82 P CA 0.271 63.500 63.100 0.214 0.000 0.896 82 P CB 0.184 31.983 31.700 0.165 0.000 0.728 83 F N 0.764 120.777 119.950 0.106 0.000 2.573 83 F HA 0.305 4.831 4.527 -0.001 0.000 0.349 83 F C 1.794 177.650 175.800 0.094 0.000 1.213 83 F CA -0.860 57.180 58.000 0.066 0.000 1.300 83 F CB 0.399 39.422 39.000 0.038 0.000 1.661 83 F HN 0.050 nan 8.300 nan 0.000 0.616 84 G N 1.363 110.292 108.800 0.214 0.000 2.733 84 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.213 84 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.213 84 G C 0.715 175.734 174.900 0.198 0.000 1.351 84 G CA 0.071 45.302 45.100 0.218 0.000 0.853 84 G HN 0.498 nan 8.290 nan 0.000 0.590 85 Q N 0.380 120.234 119.800 0.089 0.000 2.294 85 Q HA 0.337 4.677 4.340 -0.000 0.000 0.222 85 Q C 1.284 177.264 176.000 -0.034 0.000 0.903 85 Q CA -0.019 55.830 55.803 0.078 0.000 0.966 85 Q CB -0.056 28.703 28.738 0.036 0.000 1.091 85 Q HN 0.514 nan 8.270 nan 0.000 0.438 86 I N -0.708 119.769 120.570 -0.155 0.000 2.585 86 I HA 0.072 4.242 4.170 -0.000 0.000 0.254 86 I C -0.141 175.746 176.117 -0.383 0.000 1.129 86 I CA 0.193 61.264 61.300 -0.382 0.000 1.455 86 I CB 0.429 38.073 38.000 -0.593 0.000 1.111 86 I HN 0.124 nan 8.210 nan 0.000 0.433 87 F N 1.320 121.198 119.950 -0.119 0.000 2.429 87 F HA 0.297 4.823 4.527 -0.001 0.000 0.348 87 F C 0.959 176.683 175.800 -0.127 0.000 1.109 87 F CA -0.552 57.301 58.000 -0.244 0.000 1.232 87 F CB 0.070 38.793 39.000 -0.461 0.000 1.157 87 F HN -0.152 nan 8.300 nan 0.000 0.564 88 R N 4.804 125.311 120.500 0.013 0.000 2.473 88 R HA 0.032 4.371 4.340 -0.000 0.000 0.315 88 R C -1.824 174.533 176.300 0.095 0.000 0.972 88 R CA -0.843 55.275 56.100 0.030 0.000 1.047 88 R CB 0.223 30.517 30.300 -0.011 0.000 0.932 88 R HN 0.307 nan 8.270 nan 0.000 0.411 89 P HA -0.244 nan 4.420 nan 0.000 0.222 89 P C -0.511 177.000 177.300 0.351 0.000 1.159 89 P CA 1.821 65.113 63.100 0.320 0.000 0.920 89 P CB 0.012 31.812 31.700 0.167 0.000 0.793 90 D N -2.131 118.366 120.400 0.162 0.000 3.110 90 D HA 0.122 4.762 4.640 -0.000 0.000 0.254 90 D C 0.076 176.384 176.300 0.013 0.000 1.283 90 D CA -0.200 53.866 54.000 0.110 0.000 0.944 90 D CB -1.251 39.596 40.800 0.077 0.000 1.066 90 D HN 0.134 nan 8.370 nan 0.000 0.496 91 N N -0.450 118.205 118.700 -0.074 0.000 2.171 91 N HA 0.192 4.932 4.740 -0.000 0.000 0.212 91 N C -0.850 174.456 175.510 -0.341 0.000 1.184 91 N CA -0.363 52.558 53.050 -0.214 0.000 0.888 91 N CB 0.435 38.749 38.487 -0.289 0.000 1.038 91 N HN 0.167 nan 8.380 nan 0.000 0.517 92 F N 1.348 121.163 119.950 -0.226 0.000 2.421 92 F HA 0.240 4.767 4.527 0.001 0.000 0.358 92 F C 0.219 175.782 175.800 -0.396 0.000 1.115 92 F CA -0.813 56.948 58.000 -0.399 0.000 1.160 92 F CB 0.759 39.435 39.000 -0.540 0.000 1.123 92 F HN -0.235 nan 8.300 nan 0.000 0.508 93 V N 4.498 124.286 119.914 -0.211 0.000 2.277 93 V HA 0.261 4.381 4.120 -0.000 0.000 0.269 93 V C 0.106 176.124 176.094 -0.126 0.000 1.036 93 V CA -1.098 61.119 62.300 -0.138 0.000 0.821 93 V CB -0.710 31.049 31.823 -0.108 0.000 1.052 93 V HN 0.513 nan 8.190 nan 0.000 0.462 94 F N 2.176 122.140 119.950 0.023 0.000 2.480 94 F HA 0.483 5.010 4.527 0.000 0.000 0.319 94 F C 1.658 177.448 175.800 -0.017 0.000 1.230 94 F CA 1.061 59.062 58.000 0.003 0.000 1.285 94 F CB 0.864 39.860 39.000 -0.008 0.000 1.208 94 F HN 0.539 nan 8.300 nan 0.000 0.579 95 G N -1.347 107.614 108.800 0.269 0.000 2.884 95 G HA2 0.195 4.155 3.960 -0.000 0.000 0.198 95 G HA3 0.195 4.155 3.960 -0.000 0.000 0.198 95 G C 0.420 175.358 174.900 0.063 0.000 1.083 95 G CA 0.463 45.630 45.100 0.112 0.000 0.740 95 G HN 0.555 nan 8.290 nan 0.000 0.690 96 Q N -0.217 119.611 119.800 0.046 0.000 2.755 96 Q HA -0.230 4.110 4.340 -0.000 0.000 0.190 96 Q C 1.640 177.636 176.000 -0.006 0.000 2.840 96 Q CA 1.791 57.589 55.803 -0.008 0.000 0.265 96 Q CB -1.888 26.838 28.738 -0.021 0.000 0.240 96 Q HN 0.616 nan 8.270 nan 0.000 0.447 97 S N -0.385 115.316 115.700 0.001 0.000 2.549 97 S HA 0.597 5.067 4.470 -0.000 0.000 0.260 97 S C 0.885 175.482 174.600 -0.005 0.000 1.217 97 S CA -0.423 57.775 58.200 -0.003 0.000 1.001 97 S CB -0.103 63.096 63.200 -0.003 0.000 1.059 97 S HN 0.666 nan 8.310 nan 0.000 0.537 98 G N -1.319 107.476 108.800 -0.007 0.000 2.599 98 G HA2 0.506 4.466 3.960 -0.000 0.000 0.264 98 G HA3 0.506 4.466 3.960 -0.000 0.000 0.264 98 G C 0.511 175.400 174.900 -0.017 0.000 1.200 98 G CA -0.166 44.925 45.100 -0.014 0.000 0.896 98 G HN 0.851 nan 8.290 nan 0.000 0.536 99 A N -1.142 121.664 122.820 -0.024 0.000 1.995 99 A HA 0.569 4.889 4.320 -0.000 0.000 0.200 99 A C 1.916 179.478 177.584 -0.037 0.000 1.566 99 A CA 1.263 53.284 52.037 -0.026 0.000 0.895 99 A CB -0.383 18.607 19.000 -0.018 0.000 1.046 99 A HN 2.297 nan 8.150 nan 0.000 0.523 100 G N -0.666 108.102 108.800 -0.054 0.000 2.258 100 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.233 100 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.233 100 G C 0.376 175.216 174.900 -0.099 0.000 1.006 100 G CA 0.724 45.766 45.100 -0.097 0.000 0.620 100 G HN 1.102 nan 8.290 nan 0.000 0.511 101 N N -0.064 118.613 118.700 -0.039 0.000 2.747 101 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 101 N C -0.265 175.266 175.510 0.036 0.000 1.107 101 N CA 0.993 54.045 53.050 0.003 0.000 0.707 101 N CB -0.702 37.776 38.487 -0.014 0.000 1.054 101 N HN 0.944 nan 8.380 nan 0.000 0.555 102 N N -0.482 118.233 118.700 0.025 0.000 2.352 102 N HA 0.061 4.801 4.740 -0.000 0.000 0.291 102 N C 0.365 175.972 175.510 0.162 0.000 1.040 102 N CA -0.634 52.432 53.050 0.027 0.000 0.864 102 N CB 0.813 39.185 38.487 -0.192 0.000 1.440 102 N HN 0.230 nan 8.380 nan 0.000 0.483 103 W N 4.452 125.877 121.300 0.208 0.000 2.342 103 W HA -0.058 4.602 4.660 -0.000 0.000 0.297 103 W C 1.839 178.499 176.519 0.235 0.000 1.213 103 W CA 2.577 60.069 57.345 0.245 0.000 1.251 103 W CB -0.060 29.597 29.460 0.327 0.000 1.136 103 W HN 0.788 nan 8.180 nan 0.000 0.526 104 A N 0.200 123.295 122.820 0.458 0.000 1.855 104 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 104 A C 1.953 179.639 177.584 0.171 0.000 1.191 104 A CA 1.931 54.236 52.037 0.447 0.000 0.613 104 A CB -0.897 18.407 19.000 0.507 0.000 0.829 104 A HN 0.278 nan 8.150 nan 0.000 0.442 105 K N -0.871 119.578 120.400 0.081 0.000 2.077 105 K HA -0.199 4.121 4.320 -0.000 0.000 0.213 105 K C 2.012 178.589 176.600 -0.039 0.000 1.051 105 K CA 1.558 57.860 56.287 0.024 0.000 0.929 105 K CB -0.528 31.968 32.500 -0.007 0.000 0.715 105 K HN 0.501 nan 8.250 nan 0.000 0.451 106 G N -1.020 107.720 108.800 -0.101 0.000 2.408 106 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 106 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 106 G C 1.245 175.947 174.900 -0.330 0.000 1.150 106 G CA 1.094 46.080 45.100 -0.190 0.000 0.776 106 G HN 0.407 nan 8.290 nan 0.000 0.542 107 H N -2.300 116.394 119.070 -0.627 0.000 2.582 107 H HA 0.331 4.887 4.556 -0.000 0.000 0.269 107 H C 1.567 176.442 175.328 -0.755 0.000 0.962 107 H CA 0.538 56.035 56.048 -0.920 0.000 1.230 107 H CB 0.416 29.067 29.762 -1.851 0.000 1.445 107 H HN 0.441 nan 8.280 nan 0.000 0.528 108 Y N -1.773 118.453 120.300 -0.124 0.000 2.891 108 Y HA 0.058 4.607 4.550 -0.000 0.000 0.228 108 Y C 2.525 178.395 175.900 -0.050 0.000 1.000 108 Y CA 0.614 58.689 58.100 -0.040 0.000 1.491 108 Y CB 0.061 38.559 38.460 0.065 0.000 1.394 108 Y HN 0.092 nan 8.280 nan 0.000 0.477 109 T N -0.243 114.400 114.554 0.148 0.000 2.697 109 T HA -0.081 4.268 4.350 -0.000 0.000 0.244 109 T C 1.381 176.089 174.700 0.014 0.000 1.090 109 T CA 1.201 63.345 62.100 0.073 0.000 1.255 109 T CB -0.572 68.339 68.868 0.071 0.000 0.931 109 T HN 0.169 nan 8.240 nan 0.000 0.406 110 E N 1.544 121.743 120.200 -0.001 0.000 2.268 110 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 110 E C 2.339 178.908 176.600 -0.052 0.000 0.995 110 E CA 0.892 57.280 56.400 -0.021 0.000 0.836 110 E CB -0.576 29.114 29.700 -0.017 0.000 0.763 110 E HN 0.636 nan 8.360 nan 0.000 0.491 111 G N 2.011 110.759 108.800 -0.086 0.000 2.496 111 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.214 111 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.214 111 G C 1.789 176.606 174.900 -0.138 0.000 1.234 111 G CA 1.002 46.018 45.100 -0.140 0.000 0.807 111 G HN 0.362 nan 8.290 nan 0.000 0.543 112 A N 0.833 123.565 122.820 -0.145 0.000 2.084 112 A HA -0.105 4.215 4.320 -0.000 0.000 0.221 112 A C 2.094 179.633 177.584 -0.075 0.000 1.161 112 A CA 2.259 54.223 52.037 -0.121 0.000 0.653 112 A CB -0.506 18.439 19.000 -0.092 0.000 0.802 112 A HN 0.586 nan 8.150 nan 0.000 0.457 113 E N -0.771 119.396 120.200 -0.055 0.000 2.070 113 E HA -0.199 4.150 4.350 -0.000 0.000 0.197 113 E C 1.626 178.201 176.600 -0.042 0.000 1.004 113 E CA 1.618 57.996 56.400 -0.036 0.000 0.805 113 E CB -0.204 29.482 29.700 -0.024 0.000 0.744 113 E HN 0.481 nan 8.360 nan 0.000 0.451 114 L N -0.711 120.479 121.223 -0.055 0.000 2.185 114 L HA 0.055 4.394 4.340 -0.000 0.000 0.202 114 L C 1.887 178.712 176.870 -0.075 0.000 1.234 114 L CA 1.346 56.154 54.840 -0.054 0.000 1.175 114 L CB -0.691 41.337 42.059 -0.052 0.000 1.136 114 L HN 0.200 nan 8.230 nan 0.000 0.643 115 V N -0.222 119.630 119.914 -0.102 0.000 0.586 115 V HA -0.580 3.540 4.120 -0.000 0.000 0.092 115 V C 1.997 178.025 176.094 -0.110 0.000 1.846 115 V CA 2.485 64.709 62.300 -0.127 0.000 3.407 115 V CB -1.592 30.140 31.823 -0.152 0.000 0.695 115 V HN 0.727 nan 8.190 nan 0.000 0.719 116 D N -0.551 119.795 120.400 -0.090 0.000 2.218 116 D HA -0.074 4.566 4.640 -0.000 0.000 0.204 116 D C 2.052 178.313 176.300 -0.065 0.000 0.976 116 D CA 1.393 55.346 54.000 -0.078 0.000 0.853 116 D CB -0.100 40.662 40.800 -0.062 0.000 0.939 116 D HN 0.577 nan 8.370 nan 0.000 0.481 117 S N -0.712 114.953 115.700 -0.058 0.000 2.414 117 S HA -0.057 4.412 4.470 -0.000 0.000 0.227 117 S C 2.147 176.711 174.600 -0.061 0.000 1.022 117 S CA 0.263 58.436 58.200 -0.046 0.000 0.958 117 S CB 0.118 63.301 63.200 -0.029 0.000 0.797 117 S HN 0.109 nan 8.310 nan 0.000 0.493 118 V N 1.771 121.635 119.914 -0.083 0.000 2.244 118 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 118 V C 2.173 178.205 176.094 -0.104 0.000 1.042 118 V CA 1.322 63.559 62.300 -0.105 0.000 1.006 118 V CB -0.935 30.809 31.823 -0.131 0.000 0.641 118 V HN 0.309 nan 8.190 nan 0.000 0.446 119 L N 0.446 121.602 121.223 -0.112 0.000 2.211 119 L HA -0.293 4.047 4.340 -0.000 0.000 0.216 119 L C 1.979 178.807 176.870 -0.070 0.000 1.092 119 L CA 2.221 56.996 54.840 -0.109 0.000 0.767 119 L CB -0.787 41.199 42.059 -0.121 0.000 0.894 119 L HN 0.399 nan 8.230 nan 0.000 0.437 120 D N -2.012 118.354 120.400 -0.058 0.000 2.162 120 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 120 D C 2.163 178.449 176.300 -0.024 0.000 0.967 120 D CA 1.062 55.041 54.000 -0.035 0.000 0.840 120 D CB 0.188 40.970 40.800 -0.030 0.000 0.972 120 D HN 0.111 nan 8.370 nan 0.000 0.482 121 V N 0.667 120.557 119.914 -0.039 0.000 2.283 121 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 121 V C 2.612 178.693 176.094 -0.021 0.000 1.039 121 V CA 1.489 63.767 62.300 -0.038 0.000 1.016 121 V CB -0.939 30.842 31.823 -0.071 0.000 0.650 121 V HN 0.231 nan 8.190 nan 0.000 0.449 122 V N 0.599 120.492 119.914 -0.035 0.000 2.287 122 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 122 V C 2.507 178.657 176.094 0.093 0.000 1.053 122 V CA 2.696 64.994 62.300 -0.004 0.000 1.027 122 V CB -0.848 30.919 31.823 -0.093 0.000 0.646 122 V HN 0.503 nan 8.190 nan 0.000 0.447 123 R N 0.092 120.646 120.500 0.091 0.000 2.105 123 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 123 R C 2.539 178.910 176.300 0.117 0.000 1.135 123 R CA 2.012 58.205 56.100 0.154 0.000 0.967 123 R CB -0.366 29.973 30.300 0.066 0.000 0.861 123 R HN 0.689 nan 8.270 nan 0.000 0.442 124 K N 0.663 121.100 120.400 0.061 0.000 1.965 124 K HA -0.168 4.152 4.320 -0.000 0.000 0.214 124 K C 1.775 178.403 176.600 0.047 0.000 1.046 124 K CA 1.590 57.903 56.287 0.044 0.000 0.944 124 K CB -0.177 32.335 32.500 0.021 0.000 0.726 124 K HN 0.157 nan 8.250 nan 0.000 0.441 125 E N 0.206 120.430 120.200 0.039 0.000 2.114 125 E HA -0.225 4.124 4.350 -0.000 0.000 0.199 125 E C 2.210 178.832 176.600 0.037 0.000 1.008 125 E CA 1.903 58.323 56.400 0.033 0.000 0.810 125 E CB -0.296 29.421 29.700 0.029 0.000 0.739 125 E HN 0.552 nan 8.360 nan 0.000 0.456 126 S N 0.887 116.627 115.700 0.067 0.000 2.395 126 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 126 S C 1.873 176.481 174.600 0.012 0.000 1.027 126 S CA 0.671 58.888 58.200 0.028 0.000 0.965 126 S CB -0.096 63.148 63.200 0.073 0.000 0.812 126 S HN 0.102 nan 8.310 nan 0.000 0.482 127 E N 0.605 120.848 120.200 0.071 0.000 2.274 127 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 127 E C 2.150 178.770 176.600 0.033 0.000 0.996 127 E CA 0.807 57.246 56.400 0.065 0.000 0.840 127 E CB 0.038 29.792 29.700 0.090 0.000 0.772 127 E HN 0.659 nan 8.360 nan 0.000 0.491 128 S N -0.005 115.711 115.700 0.027 0.000 2.356 128 S HA -0.087 4.382 4.470 -0.000 0.000 0.219 128 S C 1.118 175.722 174.600 0.006 0.000 1.036 128 S CA 0.087 58.298 58.200 0.018 0.000 0.965 128 S CB -0.287 62.926 63.200 0.021 0.000 0.864 128 S HN 0.344 nan 8.310 nan 0.000 0.471 129 C N 4.064 123.361 119.300 -0.004 0.000 1.912 129 C HA -0.055 4.405 4.460 -0.000 0.000 0.414 129 C C 1.810 176.779 174.990 -0.034 0.000 1.545 129 C CA 0.645 59.648 59.018 -0.026 0.000 1.468 129 C CB -1.304 26.402 27.740 -0.057 0.000 2.697 129 C HN 0.779 nan 8.230 nan 0.000 0.597 130 D N 2.369 122.754 120.400 -0.025 0.000 2.178 130 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 130 D C 0.767 177.045 176.300 -0.035 0.000 0.974 130 D CA 1.222 55.209 54.000 -0.021 0.000 0.841 130 D CB 0.132 40.927 40.800 -0.008 0.000 0.953 130 D HN 0.626 nan 8.370 nan 0.000 0.478 131 C N 2.229 121.496 119.300 -0.054 0.000 3.418 131 C HA 0.494 4.954 4.460 -0.000 0.000 0.238 131 C C -0.154 174.766 174.990 -0.116 0.000 1.205 131 C CA -1.156 57.819 59.018 -0.071 0.000 1.376 131 C CB -1.367 26.341 27.740 -0.053 0.000 1.826 131 C HN 0.305 nan 8.230 nan 0.000 0.513 132 L N 4.726 125.856 121.223 -0.156 0.000 2.562 132 L HA 0.179 4.518 4.340 -0.000 0.000 0.271 132 L C 1.660 178.353 176.870 -0.294 0.000 1.167 132 L CA 0.921 55.611 54.840 -0.250 0.000 0.917 132 L CB 0.564 42.420 42.059 -0.337 0.000 1.187 132 L HN 0.846 nan 8.230 nan 0.000 0.482 133 Q N 4.789 124.415 119.800 -0.290 0.000 2.089 133 Q HA 0.291 4.631 4.340 -0.000 0.000 0.195 133 Q C 0.494 176.279 176.000 -0.360 0.000 0.963 133 Q CA 0.761 56.409 55.803 -0.258 0.000 0.834 133 Q CB 0.265 28.895 28.738 -0.181 0.000 0.906 133 Q HN 0.777 nan 8.270 nan 0.000 0.452 134 G N -0.507 107.991 108.800 -0.503 0.000 2.488 134 G HA2 0.438 4.398 3.960 -0.000 0.000 0.301 134 G HA3 0.438 4.398 3.960 -0.000 0.000 0.301 134 G C -1.658 172.760 174.900 -0.803 0.000 1.339 134 G CA -0.939 43.754 45.100 -0.678 0.000 0.803 134 G HN 0.159 nan 8.290 nan 0.000 0.482 135 F N -0.075 119.819 119.950 -0.093 0.000 2.523 135 F HA 0.719 5.246 4.527 -0.000 0.000 0.329 135 F C 0.505 176.277 175.800 -0.047 0.000 1.061 135 F CA -0.858 57.100 58.000 -0.070 0.000 0.967 135 F CB 2.053 41.029 39.000 -0.041 0.000 1.218 135 F HN 0.626 nan 8.300 nan 0.000 0.480 136 Q N 1.407 121.315 119.800 0.180 0.000 2.399 136 Q HA 0.839 5.179 4.340 -0.000 0.000 0.276 136 Q C -1.750 174.387 176.000 0.230 0.000 1.098 136 Q CA -1.208 54.681 55.803 0.145 0.000 0.827 136 Q CB 2.951 31.752 28.738 0.106 0.000 1.386 136 Q HN 0.721 nan 8.270 nan 0.000 0.443 137 L N 0.008 121.354 121.223 0.205 0.000 2.409 137 L HA 0.796 5.136 4.340 -0.000 0.000 0.262 137 L C -1.270 175.818 176.870 0.362 0.000 0.992 137 L CA -0.070 54.904 54.840 0.223 0.000 0.817 137 L CB 2.785 44.885 42.059 0.068 0.000 1.350 137 L HN 0.953 nan 8.230 nan 0.000 0.411 138 T N -0.100 114.662 114.554 0.347 0.000 2.863 138 T HA 0.914 5.264 4.350 -0.000 0.000 0.285 138 T C -0.884 174.057 174.700 0.402 0.000 1.009 138 T CA -0.297 62.031 62.100 0.379 0.000 0.989 138 T CB 1.259 70.278 68.868 0.252 0.000 1.004 138 T HN 1.267 nan 8.240 nan 0.000 0.455 139 H N -0.702 118.442 119.070 0.124 0.000 2.929 139 H HA 0.321 4.876 4.556 -0.000 0.000 0.268 139 H C -1.093 174.302 175.328 0.112 0.000 1.333 139 H CA -0.719 55.384 56.048 0.092 0.000 1.422 139 H CB -0.006 29.802 29.762 0.075 0.000 1.897 139 H HN 0.855 nan 8.280 nan 0.000 0.491 140 S N 0.485 116.226 115.700 0.068 0.000 2.614 140 S HA 0.381 4.850 4.470 -0.000 0.000 0.265 140 S C 0.731 175.362 174.600 0.052 0.000 1.303 140 S CA -0.540 57.678 58.200 0.029 0.000 1.000 140 S CB 1.552 64.793 63.200 0.068 0.000 0.935 140 S HN 0.481 nan 8.310 nan 0.000 0.551 141 L N 0.293 121.557 121.223 0.069 0.000 2.717 141 L HA 0.412 4.751 4.340 -0.000 0.000 0.239 141 L C 1.089 178.051 176.870 0.154 0.000 1.086 141 L CA 0.613 55.527 54.840 0.124 0.000 0.897 141 L CB 0.000 42.114 42.059 0.091 0.000 1.214 141 L HN 0.940 nan 8.230 nan 0.000 0.508 142 G N -0.569 108.309 108.800 0.129 0.000 2.468 142 G HA2 0.538 4.498 3.960 -0.000 0.000 0.320 142 G HA3 0.538 4.498 3.960 -0.000 0.000 0.320 142 G C -0.294 174.688 174.900 0.136 0.000 1.137 142 G CA 0.012 45.193 45.100 0.135 0.000 0.984 142 G HN 0.336 nan 8.290 nan 0.000 0.462 143 G N 0.346 109.250 108.800 0.174 0.000 2.931 143 G HA2 0.390 4.350 3.960 -0.000 0.000 0.675 143 G HA3 0.390 4.350 3.960 -0.000 0.000 0.675 143 G C 0.747 175.744 174.900 0.162 0.000 1.339 143 G CA -0.115 45.069 45.100 0.139 0.000 0.866 143 G HN 1.192 nan 8.290 nan 0.000 0.616 144 G N 0.432 109.306 108.800 0.123 0.000 2.404 144 G HA2 0.121 4.080 3.960 -0.000 0.000 0.215 144 G HA3 0.121 4.080 3.960 -0.000 0.000 0.215 144 G C 2.165 177.074 174.900 0.016 0.000 1.174 144 G CA 2.448 47.602 45.100 0.089 0.000 0.780 144 G HN 2.028 nan 8.290 nan 0.000 0.537 145 T N -0.704 113.855 114.554 0.008 0.000 2.759 145 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 145 T C 2.301 176.994 174.700 -0.011 0.000 1.042 145 T CA 2.018 64.105 62.100 -0.022 0.000 1.140 145 T CB -0.499 68.359 68.868 -0.015 0.000 0.864 145 T HN 0.241 nan 8.240 nan 0.000 0.455 146 G N 1.203 110.038 108.800 0.058 0.000 2.518 146 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.213 146 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.213 146 G C 2.035 177.056 174.900 0.201 0.000 1.226 146 G CA 1.085 46.265 45.100 0.133 0.000 0.822 146 G HN 0.687 nan 8.290 nan 0.000 0.546 147 S N 0.786 116.668 115.700 0.304 0.000 2.356 147 S HA 0.024 4.493 4.470 -0.000 0.000 0.223 147 S C 2.449 177.218 174.600 0.283 0.000 1.032 147 S CA 1.862 60.313 58.200 0.418 0.000 1.005 147 S CB -0.945 62.512 63.200 0.429 0.000 0.867 147 S HN 0.483 nan 8.310 nan 0.000 0.449 148 G N 0.920 109.709 108.800 -0.018 0.000 2.395 148 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 148 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 148 G C 1.542 176.231 174.900 -0.352 0.000 1.177 148 G CA 0.733 45.469 45.100 -0.607 0.000 0.794 148 G HN 0.394 nan 8.290 nan 0.000 0.532 149 M N 0.900 120.356 119.600 -0.241 0.000 2.132 149 M HA 0.005 4.485 4.480 -0.000 0.000 0.263 149 M C 2.740 178.905 176.300 -0.224 0.000 1.065 149 M CA 1.537 56.688 55.300 -0.249 0.000 1.122 149 M CB -0.555 31.937 32.600 -0.181 0.000 1.365 149 M HN 0.312 nan 8.290 nan 0.000 0.411 150 G N -0.246 108.441 108.800 -0.188 0.000 2.402 150 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.216 150 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.216 150 G C 1.377 176.176 174.900 -0.168 0.000 1.162 150 G CA 1.457 46.404 45.100 -0.255 0.000 0.777 150 G HN 0.542 nan 8.290 nan 0.000 0.539 151 T N 0.520 115.061 114.554 -0.022 0.000 2.803 151 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 151 T C 2.233 177.012 174.700 0.132 0.000 1.052 151 T CA 1.276 63.463 62.100 0.145 0.000 1.136 151 T CB -0.269 68.815 68.868 0.361 0.000 0.864 151 T HN 0.114 nan 8.240 nan 0.000 0.467 152 L N 1.038 122.235 121.223 -0.043 0.000 1.988 152 L HA 0.199 4.539 4.340 -0.000 0.000 0.207 152 L C 2.390 179.126 176.870 -0.224 0.000 1.071 152 L CA 1.308 55.932 54.840 -0.360 0.000 0.744 152 L CB -1.252 40.319 42.059 -0.813 0.000 0.893 152 L HN 0.257 nan 8.230 nan 0.000 0.433 153 L N -0.257 120.835 121.223 -0.219 0.000 1.991 153 L HA -0.327 4.013 4.340 -0.000 0.000 0.221 153 L C 2.640 179.415 176.870 -0.158 0.000 1.079 153 L CA 2.525 57.247 54.840 -0.197 0.000 0.778 153 L CB -0.625 41.311 42.059 -0.206 0.000 0.893 153 L HN 0.558 nan 8.230 nan 0.000 0.437 154 I N -3.463 117.038 120.570 -0.114 0.000 2.208 154 I HA -0.259 3.910 4.170 -0.000 0.000 0.245 154 I C 2.446 178.547 176.117 -0.027 0.000 1.097 154 I CA 1.858 63.123 61.300 -0.059 0.000 1.363 154 I CB -0.553 37.440 38.000 -0.010 0.000 1.051 154 I HN 0.089 nan 8.210 nan 0.000 0.413 155 S N 0.866 116.556 115.700 -0.016 0.000 2.383 155 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 155 S C 1.937 176.515 174.600 -0.038 0.000 1.026 155 S CA 1.197 59.401 58.200 0.006 0.000 0.981 155 S CB -0.240 62.983 63.200 0.038 0.000 0.818 155 S HN 0.476 nan 8.310 nan 0.000 0.472 156 K N 0.405 120.751 120.400 -0.090 0.000 2.314 156 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 156 K C 1.735 178.249 176.600 -0.145 0.000 1.045 156 K CA 0.176 56.391 56.287 -0.120 0.000 0.988 156 K CB -0.043 32.366 32.500 -0.152 0.000 0.783 156 K HN 0.274 nan 8.250 nan 0.000 0.484 157 I N 1.293 121.782 120.570 -0.135 0.000 2.202 157 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 157 I C 1.557 177.666 176.117 -0.014 0.000 1.091 157 I CA 1.051 62.261 61.300 -0.150 0.000 1.368 157 I CB -0.355 37.517 38.000 -0.214 0.000 1.058 157 I HN 0.136 nan 8.210 nan 0.000 0.410 158 R N 0.348 120.868 120.500 0.033 0.000 2.954 158 R HA -0.089 4.251 4.340 -0.000 0.000 0.276 158 R C 1.380 177.678 176.300 -0.002 0.000 1.218 158 R CA 0.644 56.789 56.100 0.074 0.000 1.149 158 R CB -0.045 30.297 30.300 0.071 0.000 1.112 158 R HN 0.281 nan 8.270 nan 0.000 0.577 159 E N -0.559 119.648 120.200 0.011 0.000 5.003 159 E HA -0.353 3.997 4.350 -0.000 0.000 0.166 159 E C 1.009 177.562 176.600 -0.079 0.000 1.244 159 E CA 1.960 58.344 56.400 -0.026 0.000 2.281 159 E CB -0.919 28.756 29.700 -0.040 0.000 1.825 159 E HN 0.685 nan 8.360 nan 0.000 0.420 160 E N -0.604 119.489 120.200 -0.178 0.000 2.086 160 E HA -0.000 4.349 4.350 -0.000 0.000 0.190 160 E C 0.119 176.495 176.600 -0.374 0.000 0.975 160 E CA 1.075 57.235 56.400 -0.400 0.000 0.813 160 E CB 0.257 29.552 29.700 -0.675 0.000 0.768 160 E HN 0.473 nan 8.360 nan 0.000 0.457 161 Y N 0.343 120.690 120.300 0.078 0.000 2.749 161 Y HA 0.184 4.734 4.550 -0.000 0.000 0.343 161 Y C -1.882 174.082 175.900 0.106 0.000 1.015 161 Y CA -2.056 56.125 58.100 0.136 0.000 1.270 161 Y CB 1.444 40.100 38.460 0.326 0.000 1.097 161 Y HN 0.093 nan 8.280 nan 0.000 0.571 162 P HA -0.056 nan 4.420 nan 0.000 0.204 162 P C 0.608 177.977 177.300 0.116 0.000 1.214 162 P CA 1.040 64.215 63.100 0.124 0.000 0.902 162 P CB 0.708 32.458 31.700 0.083 0.000 0.733 163 D N -1.380 119.075 120.400 0.091 0.000 4.312 163 D HA -0.214 4.426 4.640 -0.000 0.000 0.345 163 D C 0.335 176.656 176.300 0.035 0.000 0.718 163 D CA 1.908 55.952 54.000 0.073 0.000 1.584 163 D CB -0.801 40.070 40.800 0.117 0.000 0.871 163 D HN 0.173 nan 8.370 nan 0.000 0.448 164 R N 0.363 120.884 120.500 0.035 0.000 2.598 164 R HA 0.582 4.922 4.340 -0.000 0.000 0.279 164 R C 0.236 176.515 176.300 -0.036 0.000 0.984 164 R CA -0.904 55.153 56.100 -0.073 0.000 0.999 164 R CB 0.581 30.732 30.300 -0.250 0.000 1.114 164 R HN 0.515 nan 8.270 nan 0.000 0.493 165 I N -0.772 119.744 120.570 -0.090 0.000 2.428 165 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 165 I C 0.066 176.170 176.117 -0.022 0.000 1.019 165 I CA -0.317 60.957 61.300 -0.043 0.000 1.351 165 I CB 0.881 38.854 38.000 -0.044 0.000 1.412 165 I HN 0.244 nan 8.210 nan 0.000 0.513 166 M N 4.841 124.450 119.600 0.015 0.000 2.649 166 M HA 0.537 5.017 4.480 -0.000 0.000 0.294 166 M C -0.844 175.437 176.300 -0.032 0.000 1.206 166 M CA -0.409 54.923 55.300 0.053 0.000 0.928 166 M CB 1.355 34.004 32.600 0.080 0.000 1.571 166 M HN 0.839 nan 8.290 nan 0.000 0.501 167 N N 0.226 118.911 118.700 -0.025 0.000 4.251 167 N HA 0.171 4.910 4.740 -0.000 0.000 0.189 167 N C -1.773 173.686 175.510 -0.085 0.000 1.037 167 N CA -0.127 52.878 53.050 -0.076 0.000 1.139 167 N CB 1.445 39.897 38.487 -0.058 0.000 1.614 167 N HN 0.739 nan 8.380 nan 0.000 0.802 168 T N -0.486 113.980 114.554 -0.147 0.000 2.956 168 T HA 0.685 5.035 4.350 -0.000 0.000 0.312 168 T C -1.217 173.361 174.700 -0.205 0.000 1.151 168 T CA -0.542 61.519 62.100 -0.066 0.000 1.024 168 T CB 0.655 69.638 68.868 0.191 0.000 1.140 168 T HN 0.128 nan 8.240 nan 0.000 0.473 169 F N 2.263 122.305 119.950 0.153 0.000 2.391 169 F HA 0.611 5.138 4.527 -0.000 0.000 0.359 169 F C 0.801 176.631 175.800 0.051 0.000 1.122 169 F CA -0.584 57.488 58.000 0.120 0.000 1.120 169 F CB 1.395 40.416 39.000 0.036 0.000 1.142 169 F HN 0.657 nan 8.300 nan 0.000 0.483 170 S N 1.745 117.516 115.700 0.118 0.000 2.532 170 S HA 0.681 5.151 4.470 -0.000 0.000 0.301 170 S C -0.576 174.021 174.600 -0.006 0.000 1.083 170 S CA -0.961 57.160 58.200 -0.130 0.000 1.025 170 S CB 2.099 65.198 63.200 -0.168 0.000 1.056 170 S HN 0.293 nan 8.310 nan 0.000 0.494 171 V N 1.757 121.640 119.914 -0.051 0.000 2.220 171 V HA 0.440 4.559 4.120 -0.000 0.000 0.265 171 V C 0.789 176.921 176.094 0.063 0.000 1.078 171 V CA -0.673 61.654 62.300 0.045 0.000 0.872 171 V CB -0.327 31.535 31.823 0.065 0.000 1.121 171 V HN 1.041 nan 8.190 nan 0.000 0.460 172 M N 4.851 124.503 119.600 0.086 0.000 2.301 172 M HA 0.205 4.685 4.480 -0.000 0.000 0.404 172 M C -2.269 174.084 176.300 0.088 0.000 1.497 172 M CA 0.184 55.544 55.300 0.099 0.000 0.867 172 M CB -1.365 31.299 32.600 0.106 0.000 2.037 172 M HN 0.472 nan 8.290 nan 0.000 0.496 173 P HA 0.580 nan 4.420 nan 0.000 0.286 173 P C -0.471 176.863 177.300 0.056 0.000 1.261 173 P CA -0.387 62.759 63.100 0.077 0.000 0.821 173 P CB 1.510 33.256 31.700 0.077 0.000 1.013 174 S N 2.704 118.431 115.700 0.044 0.000 2.651 174 S HA 0.491 4.961 4.470 -0.000 0.000 0.291 174 S C -1.504 173.095 174.600 -0.002 0.000 1.141 174 S CA -1.865 56.346 58.200 0.018 0.000 1.027 174 S CB 0.698 63.901 63.200 0.005 0.000 1.043 174 S HN 0.234 nan 8.310 nan 0.000 0.530 175 P HA -0.098 nan 4.420 nan 0.000 0.217 175 P C -0.322 176.950 177.300 -0.047 0.000 1.148 175 P CA 1.329 64.410 63.100 -0.031 0.000 0.828 175 P CB -0.323 31.360 31.700 -0.029 0.000 0.783 176 K N -0.231 120.129 120.400 -0.067 0.000 2.213 176 K HA 0.471 4.791 4.320 -0.000 0.000 0.270 176 K C -0.384 176.117 176.600 -0.165 0.000 1.002 176 K CA -1.015 55.197 56.287 -0.124 0.000 0.868 176 K CB 1.697 34.103 32.500 -0.157 0.000 1.093 176 K HN -0.284 nan 8.250 nan 0.000 0.454 177 V N 1.349 121.157 119.914 -0.177 0.000 5.979 177 V HA -0.246 3.874 4.120 -0.000 0.000 0.296 177 V C -0.730 175.350 176.094 -0.023 0.000 0.582 177 V CA 1.202 63.409 62.300 -0.154 0.000 0.932 177 V CB -2.205 29.443 31.823 -0.292 0.000 1.005 177 V HN 1.175 nan 8.190 nan 0.000 0.511 178 S N 0.495 116.208 115.700 0.021 0.000 2.636 178 S HA 0.765 5.235 4.470 -0.000 0.000 0.268 178 S C 0.098 174.740 174.600 0.071 0.000 1.159 178 S CA -0.040 58.211 58.200 0.086 0.000 0.815 178 S CB 2.245 65.481 63.200 0.060 0.000 1.130 178 S HN 0.366 nan 8.310 nan 0.000 0.471 179 D N 0.701 121.149 120.400 0.079 0.000 2.431 179 D HA 0.185 4.825 4.640 -0.000 0.000 0.235 179 D C 0.235 176.553 176.300 0.031 0.000 0.980 179 D CA 0.755 54.792 54.000 0.061 0.000 0.912 179 D CB -0.751 40.090 40.800 0.068 0.000 1.056 179 D HN 0.556 nan 8.370 nan 0.000 0.494 180 T N 1.813 116.379 114.554 0.020 0.000 2.749 180 T HA 0.309 4.659 4.350 -0.000 0.000 0.287 180 T C 1.782 176.448 174.700 -0.057 0.000 0.970 180 T CA -0.585 61.512 62.100 -0.004 0.000 0.980 180 T CB 2.388 71.263 68.868 0.011 0.000 0.924 180 T HN -0.147 nan 8.240 nan 0.000 0.456 181 V N 3.371 123.223 119.914 -0.104 0.000 2.357 181 V HA -0.241 3.878 4.120 -0.000 0.000 0.257 181 V C 2.611 178.472 176.094 -0.388 0.000 1.082 181 V CA 2.480 64.611 62.300 -0.282 0.000 1.078 181 V CB -1.510 30.038 31.823 -0.459 0.000 0.663 181 V HN 0.866 nan 8.190 nan 0.000 0.455 182 V N -1.710 118.049 119.914 -0.259 0.000 2.878 182 V HA -0.042 4.077 4.120 -0.000 0.000 0.250 182 V C 2.138 178.172 176.094 -0.099 0.000 1.075 182 V CA 1.453 63.611 62.300 -0.237 0.000 1.096 182 V CB -0.601 31.308 31.823 0.143 0.000 0.724 182 V HN 0.534 nan 8.190 nan 0.000 0.467 183 E N 1.772 121.968 120.200 -0.007 0.000 2.217 183 E HA -0.256 4.094 4.350 -0.000 0.000 0.219 183 E C -0.082 176.564 176.600 0.078 0.000 1.070 183 E CA 2.592 59.031 56.400 0.065 0.000 0.889 183 E CB -1.876 27.854 29.700 0.049 0.000 0.768 183 E HN 0.577 nan 8.360 nan 0.000 0.465 184 P HA -0.265 nan 4.420 nan 0.000 0.219 184 P C 1.073 178.534 177.300 0.267 0.000 1.161 184 P CA 1.804 64.974 63.100 0.117 0.000 0.909 184 P CB -0.344 31.399 31.700 0.071 0.000 0.793 185 Y N -0.312 120.077 120.300 0.148 0.000 2.097 185 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 185 Y C 2.678 178.502 175.900 -0.127 0.000 1.152 185 Y CA 0.551 58.683 58.100 0.053 0.000 1.136 185 Y CB -0.770 37.674 38.460 -0.027 0.000 0.975 185 Y HN -0.001 nan 8.280 nan 0.000 0.498 186 N N 0.323 119.153 118.700 0.217 0.000 2.104 186 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 186 N C 1.856 177.362 175.510 -0.006 0.000 1.024 186 N CA 1.275 54.437 53.050 0.185 0.000 0.853 186 N CB -0.445 38.223 38.487 0.302 0.000 1.008 186 N HN 0.353 nan 8.380 nan 0.000 0.424 187 A N 0.909 123.732 122.820 0.004 0.000 1.832 187 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 187 A C 2.341 179.807 177.584 -0.197 0.000 1.200 187 A CA 2.304 54.321 52.037 -0.033 0.000 0.610 187 A CB -1.292 17.715 19.000 0.013 0.000 0.842 187 A HN 0.360 nan 8.150 nan 0.000 0.444 188 T N 0.542 114.902 114.554 -0.324 0.000 2.760 188 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 188 T C 1.716 176.055 174.700 -0.601 0.000 1.047 188 T CA 1.663 63.423 62.100 -0.567 0.000 1.139 188 T CB -0.434 67.814 68.868 -1.034 0.000 0.855 188 T HN 0.311 nan 8.240 nan 0.000 0.471 189 L N 0.781 121.574 121.223 -0.716 0.000 2.179 189 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 189 L C 2.691 179.061 176.870 -0.832 0.000 1.096 189 L CA 0.985 55.183 54.840 -1.069 0.000 0.779 189 L CB -0.263 40.751 42.059 -1.741 0.000 0.922 189 L HN 0.310 nan 8.230 nan 0.000 0.443 190 S N -1.633 113.818 115.700 -0.414 0.000 2.421 190 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 190 S C 1.937 176.567 174.600 0.049 0.000 1.035 190 S CA 0.251 58.475 58.200 0.040 0.000 0.953 190 S CB -0.275 63.093 63.200 0.281 0.000 0.810 190 S HN 0.076 nan 8.310 nan 0.000 0.497 191 V N 3.332 123.210 119.914 -0.061 0.000 2.231 191 V HA -0.304 3.815 4.120 -0.000 0.000 0.250 191 V C 2.645 178.650 176.094 -0.148 0.000 1.058 191 V CA 2.462 64.687 62.300 -0.125 0.000 1.022 191 V CB -0.887 30.729 31.823 -0.345 0.000 0.640 191 V HN 0.603 nan 8.190 nan 0.000 0.445 192 H N 0.084 118.952 119.070 -0.336 0.000 2.267 192 H HA -0.289 4.267 4.556 -0.000 0.000 0.291 192 H C 2.329 177.577 175.328 -0.133 0.000 1.094 192 H CA 2.882 58.758 56.048 -0.286 0.000 1.227 192 H CB -0.420 29.133 29.762 -0.348 0.000 1.351 192 H HN 0.472 nan 8.280 nan 0.000 0.483 193 Q N 0.163 120.084 119.800 0.203 0.000 2.061 193 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 193 Q C 2.946 179.074 176.000 0.212 0.000 0.984 193 Q CA 1.854 57.788 55.803 0.218 0.000 0.846 193 Q CB -0.334 28.526 28.738 0.202 0.000 0.902 193 Q HN 0.535 nan 8.270 nan 0.000 0.421 194 L N -1.161 120.193 121.223 0.218 0.000 1.976 194 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 194 L C 2.206 179.282 176.870 0.343 0.000 1.071 194 L CA 1.114 56.124 54.840 0.284 0.000 0.746 194 L CB -0.736 41.543 42.059 0.366 0.000 0.890 194 L HN 0.151 nan 8.230 nan 0.000 0.432 195 V N 0.106 120.205 119.914 0.307 0.000 3.061 195 V HA -0.255 3.864 4.120 -0.000 0.000 0.269 195 V C 1.848 178.029 176.094 0.145 0.000 1.154 195 V CA 1.885 64.305 62.300 0.200 0.000 1.168 195 V CB -0.539 31.192 31.823 -0.153 0.000 0.758 195 V HN 0.546 nan 8.190 nan 0.000 0.530 196 E N -1.869 118.427 120.200 0.161 0.000 2.508 196 E HA 0.118 4.468 4.350 -0.000 0.000 0.217 196 E C 0.985 177.676 176.600 0.152 0.000 0.896 196 E CA 0.009 56.484 56.400 0.126 0.000 1.118 196 E CB 0.109 29.858 29.700 0.081 0.000 1.133 196 E HN 0.575 nan 8.360 nan 0.000 0.526 197 N N 1.207 120.010 118.700 0.172 0.000 2.382 197 N HA 0.019 4.759 4.740 -0.000 0.000 0.200 197 N C 0.788 176.342 175.510 0.072 0.000 1.122 197 N CA 0.630 53.753 53.050 0.122 0.000 0.870 197 N CB 1.042 39.599 38.487 0.117 0.000 1.176 197 N HN 0.116 nan 8.380 nan 0.000 0.474 198 T N -1.175 113.407 114.554 0.048 0.000 2.862 198 T HA 0.349 4.699 4.350 -0.000 0.000 0.276 198 T C 0.381 174.804 174.700 -0.463 0.000 0.974 198 T CA -0.250 61.758 62.100 -0.153 0.000 0.966 198 T CB 1.697 70.469 68.868 -0.160 0.000 1.072 198 T HN -0.174 nan 8.240 nan 0.000 0.538 199 D N -0.252 119.832 120.400 -0.526 0.000 2.473 199 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 199 D C 0.124 176.047 176.300 -0.628 0.000 1.097 199 D CA 0.304 53.998 54.000 -0.510 0.000 0.861 199 D CB 0.821 41.516 40.800 -0.174 0.000 1.114 199 D HN 0.752 nan 8.370 nan 0.000 0.500 200 E N -0.394 119.454 120.200 -0.587 0.000 2.372 200 E HA 0.498 4.848 4.350 -0.000 0.000 0.279 200 E C -1.115 175.157 176.600 -0.547 0.000 0.946 200 E CA -0.624 55.439 56.400 -0.562 0.000 0.769 200 E CB 2.265 31.979 29.700 0.024 0.000 1.230 200 E HN -0.304 nan 8.360 nan 0.000 0.442 201 T N 1.795 115.883 114.554 -0.778 0.000 3.160 201 T HA 0.200 4.549 4.350 -0.000 0.000 0.344 201 T C -1.356 173.062 174.700 -0.470 0.000 0.981 201 T CA -0.629 61.150 62.100 -0.535 0.000 1.170 201 T CB -0.205 68.286 68.868 -0.628 0.000 1.016 201 T HN 0.275 nan 8.240 nan 0.000 0.492 202 Y N 2.006 122.165 120.300 -0.235 0.000 2.677 202 Y HA 0.165 4.715 4.550 -0.000 0.000 0.335 202 Y C 1.331 177.247 175.900 0.026 0.000 1.162 202 Y CA -0.252 57.831 58.100 -0.028 0.000 1.483 202 Y CB -0.108 38.410 38.460 0.095 0.000 1.209 202 Y HN 0.402 nan 8.280 nan 0.000 0.528 203 S N 5.269 121.029 115.700 0.100 0.000 2.505 203 S HA 0.520 4.989 4.470 -0.000 0.000 0.276 203 S C -0.241 174.444 174.600 0.141 0.000 1.274 203 S CA -0.489 57.782 58.200 0.118 0.000 1.053 203 S CB 0.188 63.422 63.200 0.058 0.000 0.919 203 S HN 0.476 nan 8.310 nan 0.000 0.490 204 I N 2.446 123.098 120.570 0.137 0.000 2.517 204 I HA 0.231 4.401 4.170 -0.000 0.000 0.280 204 I C -0.356 175.824 176.117 0.105 0.000 1.061 204 I CA -0.286 61.092 61.300 0.130 0.000 1.091 204 I CB 1.436 39.527 38.000 0.151 0.000 1.205 204 I HN 0.491 nan 8.210 nan 0.000 0.459 205 D N 4.756 125.210 120.400 0.091 0.000 2.256 205 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 205 D C 0.516 176.874 176.300 0.096 0.000 1.093 205 D CA 0.012 54.062 54.000 0.083 0.000 0.882 205 D CB 1.461 42.300 40.800 0.064 0.000 1.185 205 D HN 0.504 nan 8.370 nan 0.000 0.437 206 N N 2.163 120.922 118.700 0.099 0.000 2.457 206 N HA -0.132 4.608 4.740 -0.000 0.000 0.180 206 N C 1.261 176.836 175.510 0.108 0.000 1.050 206 N CA 0.299 53.416 53.050 0.112 0.000 0.906 206 N CB 0.442 39.001 38.487 0.119 0.000 0.968 206 N HN 0.543 nan 8.380 nan 0.000 0.445 207 E N 1.659 121.908 120.200 0.082 0.000 2.106 207 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 207 E C 1.815 178.487 176.600 0.120 0.000 0.984 207 E CA 1.173 57.620 56.400 0.078 0.000 0.806 207 E CB -0.027 29.702 29.700 0.048 0.000 0.750 207 E HN 0.275 nan 8.360 nan 0.000 0.458 208 A N 0.520 123.403 122.820 0.106 0.000 1.821 208 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 208 A C 2.037 179.698 177.584 0.129 0.000 1.214 208 A CA 1.340 53.443 52.037 0.109 0.000 0.608 208 A CB -1.072 17.984 19.000 0.093 0.000 0.862 208 A HN 0.327 nan 8.150 nan 0.000 0.448 209 L N -1.407 119.888 121.223 0.120 0.000 2.064 209 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 209 L C 2.406 179.349 176.870 0.122 0.000 1.077 209 L CA 2.349 57.253 54.840 0.106 0.000 0.766 209 L CB -1.481 40.641 42.059 0.105 0.000 0.890 209 L HN 0.669 nan 8.230 nan 0.000 0.435 210 Y N -0.288 120.031 120.300 0.033 0.000 2.373 210 Y HA -0.144 4.405 4.550 -0.001 0.000 0.293 210 Y C 2.323 178.267 175.900 0.075 0.000 1.129 210 Y CA 1.330 59.450 58.100 0.033 0.000 1.226 210 Y CB -0.080 38.391 38.460 0.019 0.000 1.000 210 Y HN 0.259 nan 8.280 nan 0.000 0.549 211 D N 0.013 120.572 120.400 0.266 0.000 2.137 211 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 211 D C 1.939 178.292 176.300 0.087 0.000 0.970 211 D CA 0.960 55.078 54.000 0.195 0.000 0.837 211 D CB 0.004 40.913 40.800 0.183 0.000 0.981 211 D HN 0.329 nan 8.370 nan 0.000 0.475 212 I N 0.858 121.470 120.570 0.070 0.000 2.761 212 I HA -0.246 3.924 4.170 -0.000 0.000 0.266 212 I C 2.122 178.242 176.117 0.005 0.000 1.239 212 I CA 0.703 62.029 61.300 0.042 0.000 1.451 212 I CB -0.373 37.655 38.000 0.046 0.000 1.096 212 I HN 0.102 nan 8.210 nan 0.000 0.465 213 C N -2.087 117.183 119.300 -0.051 0.000 2.609 213 C HA 0.133 4.593 4.460 -0.000 0.000 0.305 213 C C 2.284 177.220 174.990 -0.090 0.000 1.319 213 C CA -0.312 58.637 59.018 -0.115 0.000 1.793 213 C CB -0.464 27.133 27.740 -0.237 0.000 2.260 213 C HN 0.429 nan 8.230 nan 0.000 0.535 214 F N 1.861 121.660 119.950 -0.251 0.000 2.694 214 F HA 0.242 4.769 4.527 0.000 0.000 0.292 214 F C 2.388 178.142 175.800 -0.077 0.000 1.121 214 F CA 0.941 58.828 58.000 -0.188 0.000 1.352 214 F CB -0.583 38.263 39.000 -0.257 0.000 1.107 214 F HN 0.093 nan 8.300 nan 0.000 0.597 215 R N -0.393 120.189 120.500 0.136 0.000 2.127 215 R HA 0.109 4.449 4.340 -0.000 0.000 0.217 215 R C 1.370 177.705 176.300 0.058 0.000 1.074 215 R CA 1.815 57.950 56.100 0.059 0.000 0.991 215 R CB -1.681 28.650 30.300 0.051 0.000 0.895 215 R HN 0.263 nan 8.270 nan 0.000 0.450 216 T N -2.026 112.564 114.554 0.060 0.000 3.275 216 T HA 0.493 4.843 4.350 -0.000 0.000 0.298 216 T C 0.971 175.692 174.700 0.035 0.000 0.988 216 T CA 0.570 62.696 62.100 0.042 0.000 0.936 216 T CB 0.765 69.656 68.868 0.038 0.000 1.159 216 T HN 0.495 nan 8.240 nan 0.000 0.519 217 L N -0.324 120.925 121.223 0.044 0.000 3.503 217 L HA 0.605 4.945 4.340 -0.000 0.000 0.327 217 L C 1.150 178.034 176.870 0.025 0.000 1.108 217 L CA 0.204 55.055 54.840 0.020 0.000 1.214 217 L CB -0.551 41.500 42.059 -0.014 0.000 1.806 217 L HN 0.236 nan 8.230 nan 0.000 0.610 218 K N -0.696 119.755 120.400 0.084 0.000 3.274 218 K HA -0.209 4.110 4.320 -0.000 0.000 0.300 218 K C 0.351 176.911 176.600 -0.067 0.000 1.230 218 K CA 0.963 57.314 56.287 0.106 0.000 0.884 218 K CB -2.236 30.313 32.500 0.081 0.000 1.242 218 K HN 1.391 nan 8.250 nan 0.000 0.467 219 L N 1.370 122.484 121.223 -0.181 0.000 2.454 219 L HA 0.149 4.489 4.340 -0.000 0.000 0.284 219 L C 1.744 178.259 176.870 -0.592 0.000 1.139 219 L CA 0.925 55.590 54.840 -0.291 0.000 0.911 219 L CB -0.480 41.454 42.059 -0.208 0.000 1.262 219 L HN 0.223 nan 8.230 nan 0.000 0.453 220 T N 0.921 115.161 114.554 -0.523 0.000 2.529 220 T HA -0.146 4.204 4.350 -0.000 0.000 0.261 220 T C 1.155 175.574 174.700 -0.467 0.000 1.110 220 T CA 2.258 63.993 62.100 -0.608 0.000 1.192 220 T CB -0.230 68.481 68.868 -0.262 0.000 0.864 220 T HN 0.808 nan 8.240 nan 0.000 0.407 221 T N 4.012 118.421 114.554 -0.243 0.000 3.364 221 T HA 0.374 4.724 4.350 -0.000 0.000 0.323 221 T C -2.541 172.086 174.700 -0.122 0.000 1.323 221 T CA -1.079 60.942 62.100 -0.131 0.000 1.073 221 T CB 0.464 69.291 68.868 -0.069 0.000 1.150 221 T HN 0.188 nan 8.240 nan 0.000 0.727 222 P HA 0.256 nan 4.420 nan 0.000 0.276 222 P C 0.393 177.651 177.300 -0.070 0.000 1.264 222 P CA -0.265 62.761 63.100 -0.123 0.000 0.769 222 P CB 0.381 31.974 31.700 -0.178 0.000 0.840 223 T N 1.766 116.285 114.554 -0.058 0.000 2.652 223 T HA 0.010 4.360 4.350 -0.000 0.000 0.319 223 T C 0.850 175.496 174.700 -0.089 0.000 1.029 223 T CA 0.181 62.263 62.100 -0.030 0.000 0.990 223 T CB 0.151 69.033 68.868 0.025 0.000 1.098 223 T HN 0.309 nan 8.240 nan 0.000 0.520 224 Y N 0.030 120.363 120.300 0.055 0.000 2.578 224 Y HA 0.136 4.685 4.550 -0.001 0.000 0.297 224 Y C 2.120 178.051 175.900 0.051 0.000 1.176 224 Y CA 0.046 58.181 58.100 0.059 0.000 1.315 224 Y CB -0.344 38.149 38.460 0.055 0.000 1.031 224 Y HN 0.792 nan 8.280 nan 0.000 0.524 225 G N 0.163 109.046 108.800 0.139 0.000 2.561 225 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.208 225 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.208 225 G C -0.267 174.679 174.900 0.077 0.000 1.510 225 G CA 0.090 45.244 45.100 0.090 0.000 0.941 225 G HN 0.297 nan 8.290 nan 0.000 0.478 226 D N 0.853 121.278 120.400 0.042 0.000 2.376 226 D HA 0.230 4.870 4.640 -0.000 0.000 0.278 226 D C 0.488 176.828 176.300 0.066 0.000 1.384 226 D CA 0.264 54.309 54.000 0.075 0.000 1.033 226 D CB 1.280 42.103 40.800 0.037 0.000 1.102 226 D HN 0.365 nan 8.370 nan 0.000 0.530 227 L N 1.647 122.931 121.223 0.102 0.000 1.389 227 L HA -0.158 4.182 4.340 -0.000 0.000 0.363 227 L C 0.717 177.649 176.870 0.102 0.000 1.139 227 L CA 0.255 55.138 54.840 0.072 0.000 1.913 227 L CB -0.890 41.197 42.059 0.047 0.000 2.021 227 L HN 0.196 nan 8.230 nan 0.000 0.519 228 N N 0.207 118.988 118.700 0.136 0.000 2.142 228 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 228 N C 1.461 177.038 175.510 0.111 0.000 1.023 228 N CA 1.835 54.961 53.050 0.128 0.000 0.852 228 N CB -0.412 38.157 38.487 0.137 0.000 0.998 228 N HN 0.691 nan 8.380 nan 0.000 0.424 229 H N 0.290 119.356 119.070 -0.007 0.000 2.330 229 H HA -0.189 4.367 4.556 0.000 0.000 0.290 229 H C 1.613 176.883 175.328 -0.097 0.000 1.111 229 H CA 1.301 57.322 56.048 -0.045 0.000 1.226 229 H CB 0.265 30.006 29.762 -0.035 0.000 1.355 229 H HN 0.035 nan 8.280 nan 0.000 0.485 230 L N 0.281 121.442 121.223 -0.104 0.000 1.976 230 L HA -0.174 4.165 4.340 -0.000 0.000 0.209 230 L C 2.945 179.673 176.870 -0.238 0.000 1.071 230 L CA 1.160 55.859 54.840 -0.234 0.000 0.746 230 L CB -1.372 40.615 42.059 -0.120 0.000 0.890 230 L HN 0.261 nan 8.230 nan 0.000 0.432 231 V N -0.024 119.823 119.914 -0.112 0.000 2.324 231 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 231 V C 2.732 178.723 176.094 -0.172 0.000 1.060 231 V CA 1.783 64.017 62.300 -0.109 0.000 1.042 231 V CB -1.480 30.328 31.823 -0.024 0.000 0.650 231 V HN 0.627 nan 8.190 nan 0.000 0.450 232 S N 1.900 117.529 115.700 -0.118 0.000 2.359 232 S HA -0.275 4.195 4.470 -0.000 0.000 0.223 232 S C 2.124 176.573 174.600 -0.251 0.000 1.039 232 S CA 1.883 60.009 58.200 -0.123 0.000 1.042 232 S CB -0.858 62.327 63.200 -0.026 0.000 0.915 232 S HN 0.718 nan 8.310 nan 0.000 0.439 233 A N 1.746 124.364 122.820 -0.336 0.000 1.858 233 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 233 A C 2.520 179.712 177.584 -0.653 0.000 1.190 233 A CA 2.216 53.935 52.037 -0.529 0.000 0.617 233 A CB -1.747 16.786 19.000 -0.777 0.000 0.827 233 A HN 0.621 nan 8.150 nan 0.000 0.443 234 T N -0.200 113.949 114.554 -0.675 0.000 2.788 234 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 234 T C 1.909 176.464 174.700 -0.241 0.000 1.044 234 T CA 1.652 63.471 62.100 -0.469 0.000 1.139 234 T CB -0.268 68.436 68.868 -0.275 0.000 0.867 234 T HN 0.396 nan 8.240 nan 0.000 0.454 235 M N 0.718 120.136 119.600 -0.304 0.000 2.229 235 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 235 M C 2.679 178.830 176.300 -0.247 0.000 1.063 235 M CA 0.878 55.972 55.300 -0.344 0.000 1.114 235 M CB -0.221 32.136 32.600 -0.404 0.000 1.387 235 M HN 0.207 nan 8.290 nan 0.000 0.420 236 S N 0.141 115.651 115.700 -0.317 0.000 2.356 236 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 236 S C 1.894 176.425 174.600 -0.115 0.000 1.032 236 S CA 1.577 59.591 58.200 -0.309 0.000 1.005 236 S CB -0.693 62.344 63.200 -0.272 0.000 0.867 236 S HN 0.621 nan 8.310 nan 0.000 0.449 237 G N 1.369 110.149 108.800 -0.033 0.000 2.672 237 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 237 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 237 G C 1.493 176.433 174.900 0.066 0.000 1.238 237 G CA 1.528 46.696 45.100 0.114 0.000 0.791 237 G HN 0.469 nan 8.290 nan 0.000 0.606 238 V N 1.815 121.753 119.914 0.041 0.000 2.324 238 V HA -0.239 3.880 4.120 -0.000 0.000 0.250 238 V C 3.310 179.435 176.094 0.051 0.000 1.060 238 V CA 2.673 64.996 62.300 0.039 0.000 1.042 238 V CB -1.231 30.570 31.823 -0.037 0.000 0.650 238 V HN 0.691 nan 8.190 nan 0.000 0.450 239 T N -1.227 113.351 114.554 0.039 0.000 2.777 239 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 239 T C 1.970 176.706 174.700 0.061 0.000 1.040 239 T CA 1.862 63.997 62.100 0.059 0.000 1.141 239 T CB -1.077 67.752 68.868 -0.065 0.000 0.868 239 T HN 0.680 nan 8.240 nan 0.000 0.444 240 T N 2.255 116.847 114.554 0.064 0.000 2.578 240 T HA -0.374 3.976 4.350 -0.000 0.000 0.252 240 T C 2.099 176.911 174.700 0.187 0.000 1.192 240 T CA 2.189 64.395 62.100 0.177 0.000 1.143 240 T CB -2.072 66.909 68.868 0.188 0.000 0.848 240 T HN 0.787 nan 8.240 nan 0.000 0.450 241 C N 2.368 121.752 119.300 0.139 0.000 2.626 241 C HA 0.559 5.019 4.460 -0.000 0.000 0.266 241 C C 2.512 177.564 174.990 0.103 0.000 1.317 241 C CA -0.422 58.672 59.018 0.127 0.000 1.716 241 C CB -1.910 25.887 27.740 0.095 0.000 1.819 241 C HN 0.711 nan 8.230 nan 0.000 0.578 242 L N 0.701 121.988 121.223 0.106 0.000 2.375 242 L HA 0.160 4.500 4.340 -0.000 0.000 0.215 242 L C 2.295 179.227 176.870 0.103 0.000 1.108 242 L CA 0.614 55.515 54.840 0.102 0.000 0.830 242 L CB -0.749 41.378 42.059 0.112 0.000 0.959 242 L HN 0.372 nan 8.230 nan 0.000 0.457 243 R N -1.889 118.656 120.500 0.075 0.000 2.609 243 R HA 0.393 4.732 4.340 -0.000 0.000 0.326 243 R C 0.131 176.246 176.300 -0.308 0.000 1.090 243 R CA -0.068 55.996 56.100 -0.059 0.000 1.072 243 R CB 0.003 30.226 30.300 -0.129 0.000 1.330 243 R HN 0.266 nan 8.270 nan 0.000 0.572 244 F N -0.068 119.893 119.950 0.019 0.000 1.826 244 F HA 0.268 4.794 4.527 -0.000 0.000 0.231 244 F C -1.297 174.484 175.800 -0.033 0.000 1.252 244 F CA -0.695 57.281 58.000 -0.041 0.000 1.294 244 F CB 0.179 39.137 39.000 -0.069 0.000 1.951 244 F HN -0.093 nan 8.300 nan 0.000 0.188 245 P HA 0.292 nan 4.420 nan 0.000 0.194 245 P C 0.372 177.717 177.300 0.074 0.000 1.105 245 P CA 1.746 64.907 63.100 0.101 0.000 0.797 245 P CB 0.583 32.318 31.700 0.059 0.000 0.687 246 G N -1.537 107.295 108.800 0.053 0.000 3.784 246 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 246 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 246 G C 0.732 175.646 174.900 0.024 0.000 0.895 246 G CA 0.489 45.611 45.100 0.037 0.000 0.939 246 G HN 0.481 nan 8.290 nan 0.000 0.708 247 Q N 0.088 119.902 119.800 0.024 0.000 2.402 247 Q HA 0.510 4.850 4.340 -0.000 0.000 0.206 247 Q C 1.586 177.595 176.000 0.015 0.000 0.919 247 Q CA 0.196 56.007 55.803 0.013 0.000 0.923 247 Q CB 0.333 29.074 28.738 0.005 0.000 1.048 247 Q HN 0.480 nan 8.270 nan 0.000 0.515 248 L N 0.393 121.631 121.223 0.026 0.000 2.721 248 L HA 0.268 4.608 4.340 -0.000 0.000 0.154 248 L C 0.406 177.288 176.870 0.021 0.000 1.831 248 L CA 0.456 55.310 54.840 0.024 0.000 2.816 248 L CB 0.378 42.458 42.059 0.035 0.000 3.008 248 L HN 0.524 nan 8.230 nan 0.000 0.696 249 N N -1.547 117.166 118.700 0.022 0.000 1.842 249 N HA 0.029 4.769 4.740 -0.000 0.000 0.226 249 N C -0.041 175.483 175.510 0.024 0.000 1.431 249 N CA 0.495 53.559 53.050 0.024 0.000 0.722 249 N CB 0.544 39.043 38.487 0.019 0.000 1.040 249 N HN 0.556 nan 8.380 nan 0.000 0.534 250 A N 0.531 123.364 122.820 0.022 0.000 2.930 250 A HA -0.229 4.091 4.320 -0.000 0.000 0.273 250 A C 0.783 178.378 177.584 0.018 0.000 1.435 250 A CA 1.012 53.064 52.037 0.026 0.000 0.780 250 A CB -2.676 16.349 19.000 0.042 0.000 1.034 250 A HN 0.400 nan 8.150 nan 0.000 0.562 251 D N -1.847 118.557 120.400 0.007 0.000 2.376 251 D HA -0.085 4.555 4.640 -0.000 0.000 0.206 251 D C 1.475 177.765 176.300 -0.016 0.000 1.001 251 D CA 2.008 56.004 54.000 -0.007 0.000 0.937 251 D CB -0.054 40.742 40.800 -0.007 0.000 0.883 251 D HN 1.600 nan 8.370 nan 0.000 0.466 252 L N -1.759 119.463 121.223 -0.002 0.000 3.015 252 L HA -0.433 3.907 4.340 -0.000 0.000 0.389 252 L C 1.636 178.506 176.870 -0.000 0.000 0.737 252 L CA 2.848 57.688 54.840 -0.001 0.000 3.213 252 L CB -1.415 40.626 42.059 -0.030 0.000 0.600 252 L HN 0.144 nan 8.230 nan 0.000 0.774 253 R N 0.147 120.639 120.500 -0.014 0.000 2.096 253 R HA -0.173 4.167 4.340 -0.000 0.000 0.229 253 R C 2.102 178.407 176.300 0.008 0.000 1.134 253 R CA 2.425 58.522 56.100 -0.005 0.000 0.917 253 R CB -0.378 29.915 30.300 -0.013 0.000 0.832 253 R HN 0.494 nan 8.270 nan 0.000 0.430 254 K N -0.220 120.183 120.400 0.004 0.000 2.030 254 K HA -0.232 4.088 4.320 -0.000 0.000 0.222 254 K C 1.970 178.576 176.600 0.011 0.000 1.056 254 K CA 2.252 58.543 56.287 0.008 0.000 0.957 254 K CB -0.544 31.959 32.500 0.005 0.000 0.727 254 K HN 0.075 nan 8.250 nan 0.000 0.452 255 L N 0.109 121.339 121.223 0.012 0.000 2.123 255 L HA -0.314 4.026 4.340 -0.000 0.000 0.217 255 L C 2.201 179.084 176.870 0.021 0.000 1.081 255 L CA 2.296 57.144 54.840 0.014 0.000 0.772 255 L CB -0.901 41.173 42.059 0.025 0.000 0.890 255 L HN 0.345 nan 8.230 nan 0.000 0.437 256 A N -1.947 120.899 122.820 0.044 0.000 1.878 256 A HA -0.065 4.255 4.320 -0.000 0.000 0.213 256 A C 2.352 179.978 177.584 0.070 0.000 1.192 256 A CA 1.170 53.256 52.037 0.082 0.000 0.619 256 A CB -0.926 18.118 19.000 0.073 0.000 0.837 256 A HN 0.136 nan 8.150 nan 0.000 0.446 257 V N 1.027 120.967 119.914 0.043 0.000 2.313 257 V HA -0.339 3.781 4.120 -0.000 0.000 0.253 257 V C 1.952 178.061 176.094 0.025 0.000 1.070 257 V CA 2.556 64.877 62.300 0.035 0.000 1.057 257 V CB -0.917 30.920 31.823 0.024 0.000 0.653 257 V HN 0.686 nan 8.190 nan 0.000 0.450 258 N N -1.630 117.078 118.700 0.014 0.000 2.398 258 N HA 0.048 4.788 4.740 -0.000 0.000 0.188 258 N C 1.237 176.739 175.510 -0.013 0.000 1.122 258 N CA 0.282 53.330 53.050 -0.003 0.000 0.866 258 N CB 0.217 38.699 38.487 -0.009 0.000 0.970 258 N HN 0.272 nan 8.380 nan 0.000 0.462 259 M N -0.119 119.486 119.600 0.009 0.000 2.338 259 M HA 0.219 4.699 4.480 -0.000 0.000 0.276 259 M C -0.509 175.873 176.300 0.137 0.000 1.057 259 M CA 0.442 55.741 55.300 -0.002 0.000 1.079 259 M CB 0.677 33.202 32.600 -0.124 0.000 1.547 259 M HN -0.188 nan 8.290 nan 0.000 0.549 260 V N -0.459 119.532 119.914 0.129 0.000 2.378 260 V HA 0.461 4.581 4.120 -0.000 0.000 0.288 260 V C -1.714 174.383 176.094 0.005 0.000 1.016 260 V CA -1.185 61.196 62.300 0.135 0.000 0.840 260 V CB 1.070 33.016 31.823 0.205 0.000 0.994 260 V HN 0.035 nan 8.190 nan 0.000 0.431 261 P HA 0.141 nan 4.420 nan 0.000 0.214 261 P C 0.042 177.069 177.300 -0.455 0.000 1.167 261 P CA 0.889 63.709 63.100 -0.466 0.000 0.882 261 P CB 0.283 31.492 31.700 -0.819 0.000 0.777 262 F N -0.746 119.294 119.950 0.150 0.000 2.493 262 F HA 0.366 4.893 4.527 -0.000 0.000 0.329 262 F C -1.626 174.271 175.800 0.162 0.000 1.126 262 F CA -2.685 55.410 58.000 0.159 0.000 0.937 262 F CB 1.941 41.063 39.000 0.203 0.000 1.146 262 F HN -0.201 nan 8.300 nan 0.000 0.442 263 P HA -0.053 nan 4.420 nan 0.000 0.221 263 P C 0.393 177.835 177.300 0.236 0.000 1.150 263 P CA 1.152 64.400 63.100 0.247 0.000 0.800 263 P CB 0.205 32.019 31.700 0.190 0.000 0.787 264 R N 0.288 120.885 120.500 0.160 0.000 3.213 264 R HA 0.223 4.563 4.340 -0.000 0.000 0.188 264 R C 0.388 176.700 176.300 0.021 0.000 0.931 264 R CA -0.569 55.548 56.100 0.028 0.000 1.218 264 R CB -1.390 28.878 30.300 -0.054 0.000 0.742 264 R HN -0.077 nan 8.270 nan 0.000 0.484 265 L N -0.096 121.099 121.223 -0.047 0.000 3.701 265 L HA -0.183 4.156 4.340 -0.000 0.000 0.574 265 L C -0.848 176.206 176.870 0.307 0.000 1.049 265 L CA 0.554 55.532 54.840 0.229 0.000 0.951 265 L CB -1.719 40.579 42.059 0.399 0.000 1.081 265 L HN 0.736 nan 8.230 nan 0.000 0.729 266 H N 0.658 120.004 119.070 0.461 0.000 2.439 266 H HA 0.623 5.179 4.556 -0.000 0.000 0.230 266 H C -0.812 173.899 175.328 -1.027 0.000 1.420 266 H CA -1.395 54.414 56.048 -0.398 0.000 1.305 266 H CB -0.297 29.173 29.762 -0.487 0.000 1.667 266 H HN 0.376 nan 8.280 nan 0.000 0.515 267 F N 1.622 121.316 119.950 -0.427 0.000 2.530 267 F HA 0.318 4.845 4.527 -0.000 0.000 0.318 267 F C -0.446 175.158 175.800 -0.327 0.000 1.356 267 F CA -1.457 56.338 58.000 -0.341 0.000 1.135 267 F CB -0.252 38.696 39.000 -0.086 0.000 1.315 267 F HN 0.252 nan 8.300 nan 0.000 0.549 268 F N 2.889 122.680 119.950 -0.264 0.000 2.474 268 F HA -0.016 4.511 4.527 -0.000 0.000 0.375 268 F C 1.136 176.773 175.800 -0.271 0.000 1.090 268 F CA -0.560 57.220 58.000 -0.366 0.000 1.044 268 F CB -0.319 38.292 39.000 -0.649 0.000 1.018 268 F HN 0.209 nan 8.300 nan 0.000 0.560 269 M N 4.769 124.350 119.600 -0.032 0.000 2.219 269 M HA 0.433 4.913 4.480 -0.000 0.000 0.353 269 M C -2.846 173.420 176.300 -0.057 0.000 1.304 269 M CA -1.494 53.800 55.300 -0.010 0.000 1.115 269 M CB 0.244 32.838 32.600 -0.011 0.000 1.664 269 M HN 0.123 nan 8.290 nan 0.000 0.459 270 P HA 0.920 nan 4.420 nan 0.000 0.319 270 P C -0.724 176.698 177.300 0.204 0.000 1.291 270 P CA -0.578 62.548 63.100 0.043 0.000 0.817 270 P CB 1.800 33.634 31.700 0.222 0.000 1.349 271 G N -1.978 106.988 108.800 0.276 0.000 2.489 271 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 271 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 271 G C -2.386 172.732 174.900 0.364 0.000 1.487 271 G CA -0.224 45.080 45.100 0.340 0.000 0.795 271 G HN 0.319 nan 8.290 nan 0.000 0.513 272 F N 0.057 120.034 119.950 0.045 0.000 2.603 272 F HA 0.765 5.292 4.527 -0.000 0.000 0.317 272 F C 1.098 176.862 175.800 -0.060 0.000 1.066 272 F CA -0.006 57.980 58.000 -0.024 0.000 0.941 272 F CB 2.274 41.248 39.000 -0.043 0.000 1.291 272 F HN 0.766 nan 8.300 nan 0.000 0.472 273 A N 2.478 124.856 122.820 -0.737 0.000 1.838 273 A HA 0.313 4.633 4.320 -0.000 0.000 0.215 273 A C -2.149 175.285 177.584 -0.251 0.000 1.273 273 A CA 0.807 52.531 52.037 -0.522 0.000 0.602 273 A CB -1.550 17.038 19.000 -0.686 0.000 0.934 273 A HN 0.520 nan 8.150 nan 0.000 0.461 274 P HA 0.692 nan 4.420 nan 0.000 0.292 274 P C -1.096 176.279 177.300 0.125 0.000 1.304 274 P CA -0.536 62.552 63.100 -0.019 0.000 0.848 274 P CB 1.285 32.962 31.700 -0.039 0.000 1.260 275 L N -4.698 116.561 121.223 0.059 0.000 3.041 275 L HA 0.735 5.074 4.340 -0.000 0.000 0.278 275 L C -0.670 176.207 176.870 0.011 0.000 1.051 275 L CA -0.945 53.911 54.840 0.028 0.000 0.957 275 L CB 0.590 42.669 42.059 0.034 0.000 1.538 275 L HN 0.451 nan 8.230 nan 0.000 0.393 276 T N -1.237 113.318 114.554 0.002 0.000 0.541 276 T HA -0.045 4.305 4.350 -0.000 0.000 0.774 276 T C 0.289 175.061 174.700 0.120 0.000 0.992 276 T CA 0.813 62.937 62.100 0.040 0.000 4.077 276 T CB -0.824 68.063 68.868 0.032 0.000 2.303 276 T HN 1.528 nan 8.240 nan 0.000 0.398 277 S N -0.231 115.565 115.700 0.159 0.000 3.624 277 S HA 0.489 4.959 4.470 -0.000 0.000 0.244 277 S C 1.633 176.272 174.600 0.066 0.000 1.115 277 S CA 1.036 59.355 58.200 0.199 0.000 0.820 277 S CB -0.186 63.120 63.200 0.176 0.000 0.964 277 S HN 1.303 nan 8.310 nan 0.000 0.508 278 R N 1.611 122.129 120.500 0.029 0.000 0.907 278 R HA 0.638 4.978 4.340 -0.000 0.000 0.051 278 R C 2.021 178.326 176.300 0.008 0.000 0.449 278 R CA 0.562 56.664 56.100 0.005 0.000 2.146 278 R CB -1.877 28.417 30.300 -0.010 0.000 0.497 278 R HN 0.940 nan 8.270 nan 0.000 0.796 279 G N 0.166 108.967 108.800 0.001 0.000 3.158 279 G HA2 0.261 4.221 3.960 -0.000 0.000 0.204 279 G HA3 0.261 4.221 3.960 -0.000 0.000 0.204 279 G C -0.096 174.808 174.900 0.005 0.000 1.226 279 G CA 0.916 46.017 45.100 0.002 0.000 1.039 279 G HN 0.532 nan 8.290 nan 0.000 0.496 280 S N -1.438 114.269 115.700 0.011 0.000 2.569 280 S HA 0.584 5.054 4.470 -0.000 0.000 0.280 280 S C -0.184 174.426 174.600 0.017 0.000 1.111 280 S CA -0.814 57.394 58.200 0.013 0.000 0.887 280 S CB 1.983 65.191 63.200 0.013 0.000 1.095 280 S HN 0.582 nan 8.310 nan 0.000 0.476 281 Q N 1.129 120.937 119.800 0.013 0.000 3.105 281 Q HA 0.752 5.092 4.340 -0.000 0.000 0.280 281 Q C -1.392 174.614 176.000 0.009 0.000 1.042 281 Q CA -0.866 54.944 55.803 0.012 0.000 0.857 281 Q CB 0.551 29.293 28.738 0.007 0.000 1.468 281 Q HN 0.421 nan 8.270 nan 0.000 0.494 282 Q N -1.055 118.748 119.800 0.005 0.000 2.268 282 Q HA 0.270 4.609 4.340 -0.000 0.000 0.266 282 Q C -1.663 174.336 176.000 -0.002 0.000 1.006 282 Q CA -0.630 55.172 55.803 -0.001 0.000 0.824 282 Q CB 0.145 28.880 28.738 -0.006 0.000 1.306 282 Q HN 1.010 nan 8.270 nan 0.000 0.424 283 Y N 2.723 123.022 120.300 -0.003 0.000 3.103 283 Y HA 0.296 4.846 4.550 -0.000 0.000 0.389 283 Y C 1.512 177.408 175.900 -0.006 0.000 1.082 283 Y CA 0.557 58.655 58.100 -0.003 0.000 1.987 283 Y CB -1.022 37.436 38.460 -0.002 0.000 2.096 283 Y HN 1.033 nan 8.280 nan 0.000 0.423 284 R N -0.363 120.133 120.500 -0.008 0.000 4.115 284 R HA -0.375 3.965 4.340 -0.000 0.000 0.417 284 R C 1.500 177.792 176.300 -0.013 0.000 0.756 284 R CA 2.316 58.410 56.100 -0.011 0.000 1.709 284 R CB -2.055 28.239 30.300 -0.010 0.000 2.307 284 R HN 1.513 nan 8.270 nan 0.000 0.451 285 A N 1.314 124.127 122.820 -0.012 0.000 2.298 285 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 285 A C 0.802 178.376 177.584 -0.016 0.000 1.193 285 A CA 1.335 53.365 52.037 -0.012 0.000 0.697 285 A CB -0.861 18.134 19.000 -0.009 0.000 0.774 285 A HN 0.393 nan 8.150 nan 0.000 0.492 286 L N -0.051 121.158 121.223 -0.023 0.000 2.654 286 L HA 0.138 4.478 4.340 -0.000 0.000 0.271 286 L C 1.466 178.324 176.870 -0.019 0.000 1.169 286 L CA 0.587 55.408 54.840 -0.032 0.000 0.947 286 L CB -0.352 41.677 42.059 -0.050 0.000 1.232 286 L HN 0.300 nan 8.230 nan 0.000 0.486 287 T N 0.303 114.851 114.554 -0.010 0.000 2.971 287 T HA 0.254 4.604 4.350 -0.000 0.000 0.252 287 T C 1.126 175.838 174.700 0.019 0.000 1.022 287 T CA 0.665 62.766 62.100 0.002 0.000 0.980 287 T CB 0.319 69.186 68.868 -0.001 0.000 1.044 287 T HN 0.438 nan 8.240 nan 0.000 0.501 288 V N -0.409 119.530 119.914 0.042 0.000 0.545 288 V HA -0.228 3.891 4.120 -0.000 0.000 0.092 288 V C -1.361 174.788 176.094 0.092 0.000 2.092 288 V CA 0.982 63.341 62.300 0.098 0.000 3.507 288 V CB -2.495 29.372 31.823 0.073 0.000 0.799 288 V HN 0.256 nan 8.190 nan 0.000 0.833 289 P HA -0.144 nan 4.420 nan 0.000 0.212 289 P C 1.334 178.657 177.300 0.038 0.000 1.178 289 P CA 2.310 65.435 63.100 0.040 0.000 0.915 289 P CB -0.059 31.651 31.700 0.017 0.000 0.788 290 E N -1.504 118.707 120.200 0.019 0.000 2.515 290 E HA -0.089 4.261 4.350 -0.000 0.000 0.201 290 E C 1.710 178.304 176.600 -0.010 0.000 1.071 290 E CA 0.083 56.486 56.400 0.005 0.000 0.880 290 E CB -0.476 29.222 29.700 -0.003 0.000 0.828 290 E HN 0.137 nan 8.360 nan 0.000 0.540 291 L N -0.559 120.661 121.223 -0.004 0.000 2.253 291 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 291 L C 2.072 178.909 176.870 -0.054 0.000 1.078 291 L CA 1.090 55.896 54.840 -0.056 0.000 0.805 291 L CB 0.116 42.142 42.059 -0.055 0.000 0.963 291 L HN 0.004 nan 8.230 nan 0.000 0.459 292 T N -0.324 114.266 114.554 0.061 0.000 2.770 292 T HA -0.168 4.182 4.350 -0.000 0.000 0.258 292 T C 1.161 175.949 174.700 0.146 0.000 1.039 292 T CA 1.304 63.486 62.100 0.137 0.000 1.143 292 T CB -0.322 68.705 68.868 0.265 0.000 0.866 292 T HN 0.444 nan 8.240 nan 0.000 0.428 293 Q N 1.329 121.194 119.800 0.109 0.000 2.362 293 Q HA 0.160 4.500 4.340 -0.000 0.000 0.210 293 Q C 1.394 177.423 176.000 0.048 0.000 0.924 293 Q CA 0.332 56.189 55.803 0.090 0.000 0.982 293 Q CB -0.161 28.605 28.738 0.047 0.000 1.028 293 Q HN 0.451 nan 8.270 nan 0.000 0.482 294 Q N 0.167 119.976 119.800 0.015 0.000 2.330 294 Q HA 0.140 4.479 4.340 -0.000 0.000 0.254 294 Q C 1.332 177.287 176.000 -0.075 0.000 0.777 294 Q CA 0.087 55.873 55.803 -0.029 0.000 0.972 294 Q CB 0.424 29.129 28.738 -0.055 0.000 1.236 294 Q HN 0.482 nan 8.270 nan 0.000 0.508 295 M N -0.541 118.965 119.600 -0.157 0.000 2.453 295 M HA 0.315 4.794 4.480 -0.000 0.000 0.239 295 M C -0.795 175.174 176.300 -0.551 0.000 1.151 295 M CA 0.574 55.703 55.300 -0.285 0.000 0.989 295 M CB 0.292 32.673 32.600 -0.363 0.000 1.548 295 M HN 0.244 nan 8.290 nan 0.000 0.479 296 F N 0.210 120.007 119.950 -0.256 0.000 2.775 296 F HA 0.299 4.826 4.527 -0.000 0.000 0.313 296 F C -0.242 175.459 175.800 -0.164 0.000 1.121 296 F CA -0.957 56.844 58.000 -0.331 0.000 1.206 296 F CB 0.654 39.499 39.000 -0.257 0.000 1.052 296 F HN 0.151 nan 8.300 nan 0.000 0.524 297 D N 0.067 120.501 120.400 0.057 0.000 2.192 297 D HA 0.424 5.063 4.640 -0.000 0.000 0.246 297 D C 1.018 177.359 176.300 0.069 0.000 1.042 297 D CA 0.462 54.500 54.000 0.063 0.000 0.847 297 D CB 2.028 42.855 40.800 0.045 0.000 1.186 297 D HN 0.183 nan 8.370 nan 0.000 0.461 298 S N 3.676 119.425 115.700 0.082 0.000 2.343 298 S HA -0.184 4.286 4.470 -0.000 0.000 0.219 298 S C 1.553 176.205 174.600 0.086 0.000 1.033 298 S CA 1.019 59.275 58.200 0.093 0.000 1.014 298 S CB -0.506 62.742 63.200 0.081 0.000 0.915 298 S HN 0.578 nan 8.310 nan 0.000 0.435 299 K N 0.937 121.378 120.400 0.068 0.000 2.674 299 K HA -0.155 4.165 4.320 -0.000 0.000 0.195 299 K C 0.016 176.657 176.600 0.068 0.000 1.039 299 K CA 0.727 57.051 56.287 0.062 0.000 0.926 299 K CB -0.272 32.257 32.500 0.048 0.000 0.775 299 K HN 0.422 nan 8.250 nan 0.000 0.498 300 N N -0.224 118.526 118.700 0.083 0.000 2.261 300 N HA 0.053 4.793 4.740 -0.000 0.000 0.241 300 N C -1.088 174.508 175.510 0.144 0.000 1.374 300 N CA -0.139 52.968 53.050 0.095 0.000 0.802 300 N CB 0.449 38.975 38.487 0.065 0.000 1.339 300 N HN -0.021 nan 8.380 nan 0.000 0.498 301 M N 0.645 120.336 119.600 0.153 0.000 2.342 301 M HA 0.351 4.830 4.480 -0.000 0.000 0.332 301 M C 1.597 177.990 176.300 0.154 0.000 1.166 301 M CA -0.289 55.130 55.300 0.199 0.000 1.086 301 M CB 0.889 33.605 32.600 0.192 0.000 1.541 301 M HN -0.084 nan 8.290 nan 0.000 0.462 302 M N 0.642 120.339 119.600 0.161 0.000 2.334 302 M HA 0.152 4.632 4.480 -0.000 0.000 0.266 302 M C 0.827 177.192 176.300 0.108 0.000 1.082 302 M CA 0.463 55.841 55.300 0.129 0.000 1.141 302 M CB -0.941 31.744 32.600 0.142 0.000 1.380 302 M HN 0.740 nan 8.290 nan 0.000 0.440 303 A N 0.663 123.538 122.820 0.092 0.000 2.332 303 A HA 0.568 4.888 4.320 -0.000 0.000 0.258 303 A C 0.395 178.009 177.584 0.049 0.000 1.087 303 A CA -0.076 51.993 52.037 0.053 0.000 0.802 303 A CB 0.107 19.111 19.000 0.006 0.000 1.042 303 A HN 0.413 nan 8.150 nan 0.000 0.489 304 A N 1.335 124.174 122.820 0.032 0.000 3.056 304 A HA 0.480 4.800 4.320 -0.000 0.000 0.274 304 A C 0.408 177.989 177.584 -0.005 0.000 1.661 304 A CA -0.381 51.673 52.037 0.029 0.000 1.363 304 A CB -1.358 17.664 19.000 0.036 0.000 1.139 304 A HN 0.783 nan 8.150 nan 0.000 0.598 305 C N -0.083 119.213 119.300 -0.007 0.000 2.123 305 C HA 0.769 5.229 4.460 -0.000 0.000 0.304 305 C C 0.113 175.106 174.990 0.004 0.000 2.981 305 C CA -0.151 58.844 59.018 -0.039 0.000 1.895 305 C CB 0.966 28.665 27.740 -0.069 0.000 2.561 305 C HN 0.760 nan 8.230 nan 0.000 0.336 306 D N -0.062 120.350 120.400 0.019 0.000 2.333 306 D HA 0.219 4.859 4.640 -0.000 0.000 0.225 306 D C -2.505 173.832 176.300 0.063 0.000 1.345 306 D CA -0.884 53.171 54.000 0.091 0.000 0.971 306 D CB 0.912 41.841 40.800 0.214 0.000 1.451 306 D HN 0.141 nan 8.370 nan 0.000 0.561 307 P HA 0.015 nan 4.420 nan 0.000 0.299 307 P C 0.674 177.885 177.300 -0.148 0.000 1.515 307 P CA 0.029 63.039 63.100 -0.149 0.000 0.770 307 P CB 0.323 31.962 31.700 -0.101 0.000 1.614 308 R N 0.144 120.552 120.500 -0.155 0.000 1.981 308 R HA 0.081 4.420 4.340 -0.000 0.000 0.207 308 R C 1.229 177.208 176.300 -0.536 0.000 1.375 308 R CA 0.626 56.476 56.100 -0.417 0.000 1.068 308 R CB -1.604 28.482 30.300 -0.358 0.000 0.890 308 R HN 0.485 nan 8.270 nan 0.000 0.481 309 H N 0.810 119.694 119.070 -0.310 0.000 3.440 309 H HA 0.367 4.923 4.556 -0.000 0.000 0.232 309 H C 0.210 175.402 175.328 -0.227 0.000 1.130 309 H CA 0.300 56.213 56.048 -0.225 0.000 1.459 309 H CB -0.901 28.798 29.762 -0.106 0.000 1.607 309 H HN 0.513 nan 8.280 nan 0.000 0.515 310 G N 2.597 111.305 108.800 -0.154 0.000 2.931 310 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.675 310 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.675 310 G C -1.003 173.740 174.900 -0.260 0.000 1.339 310 G CA -1.242 43.762 45.100 -0.161 0.000 0.866 310 G HN 0.604 nan 8.290 nan 0.000 0.616 311 R N 0.656 121.081 120.500 -0.124 0.000 2.589 311 R HA 0.529 4.869 4.340 -0.000 0.000 0.293 311 R C -0.846 175.422 176.300 -0.052 0.000 0.963 311 R CA -0.907 55.185 56.100 -0.014 0.000 0.905 311 R CB 1.564 31.965 30.300 0.168 0.000 1.144 311 R HN 0.495 nan 8.270 nan 0.000 0.459 312 Y N 2.885 123.066 120.300 -0.198 0.000 2.537 312 Y HA -0.076 4.474 4.550 -0.000 0.000 0.339 312 Y C 1.533 177.385 175.900 -0.080 0.000 1.066 312 Y CA -0.041 57.973 58.100 -0.142 0.000 1.357 312 Y CB 0.278 38.602 38.460 -0.226 0.000 1.175 312 Y HN 0.475 nan 8.280 nan 0.000 0.525 313 L N 1.995 123.238 121.223 0.034 0.000 1.925 313 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 313 L C 0.991 177.857 176.870 -0.007 0.000 1.082 313 L CA 1.924 56.736 54.840 -0.046 0.000 0.764 313 L CB -0.761 41.284 42.059 -0.022 0.000 0.887 313 L HN 0.714 nan 8.230 nan 0.000 0.432 314 T N -2.722 111.873 114.554 0.068 0.000 2.908 314 T HA 0.631 4.980 4.350 -0.000 0.000 0.290 314 T C -0.559 174.253 174.700 0.187 0.000 1.034 314 T CA -0.628 61.527 62.100 0.092 0.000 1.010 314 T CB 2.659 71.534 68.868 0.012 0.000 1.068 314 T HN -0.089 nan 8.240 nan 0.000 0.481 315 V N 1.275 121.327 119.914 0.230 0.000 2.567 315 V HA 0.711 4.831 4.120 -0.000 0.000 0.298 315 V C -0.081 176.136 176.094 0.206 0.000 1.047 315 V CA -0.823 61.675 62.300 0.331 0.000 0.880 315 V CB 1.347 33.570 31.823 0.667 0.000 1.009 315 V HN 1.359 nan 8.190 nan 0.000 0.429 316 A N 4.189 127.052 122.820 0.072 0.000 2.303 316 A HA 1.003 5.323 4.320 -0.000 0.000 0.317 316 A C 0.006 177.678 177.584 0.147 0.000 1.149 316 A CA 0.034 52.111 52.037 0.066 0.000 0.822 316 A CB 1.478 20.456 19.000 -0.036 0.000 1.131 316 A HN 1.462 nan 8.150 nan 0.000 0.493 317 A N 0.495 123.418 122.820 0.172 0.000 2.454 317 A HA 0.760 5.080 4.320 -0.000 0.000 0.302 317 A C -0.786 176.917 177.584 0.199 0.000 1.079 317 A CA -0.168 51.975 52.037 0.178 0.000 0.731 317 A CB 1.573 20.689 19.000 0.194 0.000 1.299 317 A HN 2.270 nan 8.150 nan 0.000 0.413 318 V N 0.764 120.765 119.914 0.144 0.000 2.638 318 V HA 0.865 4.985 4.120 -0.000 0.000 0.306 318 V C -1.876 174.282 176.094 0.107 0.000 1.052 318 V CA -0.717 61.688 62.300 0.175 0.000 0.885 318 V CB 1.169 33.055 31.823 0.105 0.000 0.999 318 V HN 0.692 nan 8.190 nan 0.000 0.424 319 F N 4.855 124.781 119.950 -0.039 0.000 2.450 319 F HA 0.782 5.309 4.527 -0.000 0.000 0.332 319 F C 0.512 176.269 175.800 -0.072 0.000 1.093 319 F CA -0.601 57.360 58.000 -0.065 0.000 1.003 319 F CB 2.122 41.087 39.000 -0.060 0.000 1.151 319 F HN 0.445 nan 8.300 nan 0.000 0.474 320 R N 1.181 121.702 120.500 0.034 0.000 2.451 320 R HA 0.701 5.041 4.340 -0.000 0.000 0.307 320 R C -0.930 175.351 176.300 -0.032 0.000 0.965 320 R CA -0.695 55.390 56.100 -0.025 0.000 0.865 320 R CB 1.740 31.997 30.300 -0.070 0.000 1.174 320 R HN 0.905 nan 8.270 nan 0.000 0.455 321 G N 0.355 109.135 108.800 -0.033 0.000 2.249 321 G HA2 0.207 4.167 3.960 -0.000 0.000 0.252 321 G HA3 0.207 4.167 3.960 -0.000 0.000 0.252 321 G C -1.030 173.852 174.900 -0.030 0.000 1.697 321 G CA -0.752 44.327 45.100 -0.036 0.000 0.916 321 G HN 0.658 nan 8.290 nan 0.000 0.725 322 R N 2.244 122.719 120.500 -0.041 0.000 2.808 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.248 322 R C 0.834 177.119 176.300 -0.027 0.000 1.539 322 R CA 1.128 57.206 56.100 -0.037 0.000 1.071 322 R CB -0.645 29.632 30.300 -0.039 0.000 1.172 322 R HN 1.806 nan 8.270 nan 0.000 0.579 323 M N -0.306 119.281 119.600 -0.022 0.000 2.691 323 M HA 0.557 5.037 4.480 -0.000 0.000 0.293 323 M C -0.507 175.774 176.300 -0.032 0.000 1.259 323 M CA -0.595 54.693 55.300 -0.020 0.000 0.827 323 M CB 1.875 34.473 32.600 -0.004 0.000 1.753 323 M HN 0.292 nan 8.290 nan 0.000 0.465 324 S N 2.147 117.826 115.700 -0.036 0.000 2.430 324 S HA 0.347 4.817 4.470 -0.000 0.000 0.282 324 S C 0.811 175.369 174.600 -0.071 0.000 1.186 324 S CA -0.506 57.666 58.200 -0.048 0.000 1.060 324 S CB -0.048 63.127 63.200 -0.041 0.000 0.966 324 S HN 0.691 nan 8.310 nan 0.000 0.501 325 M N 4.301 123.848 119.600 -0.087 0.000 2.562 325 M HA 0.275 4.755 4.480 -0.000 0.000 0.257 325 M C 1.879 178.107 176.300 -0.120 0.000 1.099 325 M CA 1.399 56.620 55.300 -0.132 0.000 1.099 325 M CB -1.433 31.082 32.600 -0.141 0.000 1.427 325 M HN 0.554 nan 8.290 nan 0.000 0.489 326 K N 1.231 121.580 120.400 -0.085 0.000 2.281 326 K HA -0.163 4.157 4.320 -0.000 0.000 0.203 326 K C 1.865 178.420 176.600 -0.076 0.000 1.046 326 K CA 2.065 58.308 56.287 -0.073 0.000 0.938 326 K CB -1.228 31.239 32.500 -0.055 0.000 0.737 326 K HN 0.774 nan 8.250 nan 0.000 0.458 327 E N -0.414 119.738 120.200 -0.081 0.000 2.086 327 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 327 E C 1.975 178.509 176.600 -0.109 0.000 0.975 327 E CA 0.782 57.137 56.400 -0.076 0.000 0.813 327 E CB 0.016 29.683 29.700 -0.055 0.000 0.768 327 E HN 0.196 nan 8.360 nan 0.000 0.457 328 V N 2.220 122.031 119.914 -0.173 0.000 2.231 328 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 328 V C 1.652 177.607 176.094 -0.232 0.000 1.054 328 V CA 2.538 64.659 62.300 -0.299 0.000 1.015 328 V CB -0.789 30.726 31.823 -0.514 0.000 0.638 328 V HN 0.450 nan 8.190 nan 0.000 0.444 329 D N -0.806 119.485 120.400 -0.181 0.000 2.264 329 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 329 D C 2.011 178.247 176.300 -0.106 0.000 0.966 329 D CA 0.853 54.770 54.000 -0.139 0.000 0.864 329 D CB -0.231 40.500 40.800 -0.115 0.000 0.933 329 D HN 0.517 nan 8.370 nan 0.000 0.499 330 E N 0.010 120.153 120.200 -0.095 0.000 2.112 330 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 330 E C 1.796 178.357 176.600 -0.065 0.000 0.979 330 E CA 0.619 56.975 56.400 -0.075 0.000 0.814 330 E CB 0.221 29.883 29.700 -0.064 0.000 0.762 330 E HN 0.154 nan 8.360 nan 0.000 0.460 331 Q N -0.015 119.750 119.800 -0.059 0.000 2.049 331 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 331 Q C 2.076 178.063 176.000 -0.022 0.000 0.971 331 Q CA 0.851 56.638 55.803 -0.027 0.000 0.833 331 Q CB -0.330 28.411 28.738 0.005 0.000 0.896 331 Q HN 0.234 nan 8.270 nan 0.000 0.434 332 M N 0.702 120.283 119.600 -0.033 0.000 2.163 332 M HA -0.199 4.281 4.480 -0.000 0.000 0.258 332 M C 2.169 178.417 176.300 -0.086 0.000 1.071 332 M CA 1.320 56.612 55.300 -0.014 0.000 1.093 332 M CB -1.145 31.426 32.600 -0.049 0.000 1.285 332 M HN 0.232 nan 8.290 nan 0.000 0.420 333 L N 0.006 121.165 121.223 -0.107 0.000 1.997 333 L HA -0.370 3.970 4.340 -0.000 0.000 0.227 333 L C 2.131 178.915 176.870 -0.143 0.000 1.087 333 L CA 2.532 57.291 54.840 -0.135 0.000 0.797 333 L CB -0.797 41.198 42.059 -0.107 0.000 0.902 333 L HN 0.503 nan 8.230 nan 0.000 0.441 334 N N -1.074 117.564 118.700 -0.104 0.000 2.132 334 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 334 N C 1.579 177.017 175.510 -0.121 0.000 1.015 334 N CA 2.022 55.016 53.050 -0.094 0.000 0.864 334 N CB -0.140 38.310 38.487 -0.062 0.000 1.006 334 N HN 0.390 nan 8.380 nan 0.000 0.430 335 V N -0.352 119.473 119.914 -0.149 0.000 2.307 335 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 335 V C 1.961 177.891 176.094 -0.273 0.000 1.045 335 V CA 1.615 63.779 62.300 -0.227 0.000 1.024 335 V CB -1.064 30.551 31.823 -0.346 0.000 0.651 335 V HN 0.372 nan 8.190 nan 0.000 0.449 336 Q N 1.053 120.627 119.800 -0.377 0.000 2.376 336 Q HA -0.212 4.128 4.340 -0.000 0.000 0.211 336 Q C 1.573 177.423 176.000 -0.251 0.000 0.986 336 Q CA 1.694 57.200 55.803 -0.495 0.000 0.886 336 Q CB -0.376 27.991 28.738 -0.619 0.000 0.927 336 Q HN 0.755 nan 8.270 nan 0.000 0.457 337 N N -0.247 118.350 118.700 -0.172 0.000 2.516 337 N HA -0.003 4.737 4.740 -0.000 0.000 0.197 337 N C 1.776 177.233 175.510 -0.088 0.000 1.064 337 N CA 1.377 54.357 53.050 -0.117 0.000 0.866 337 N CB -0.342 38.082 38.487 -0.105 0.000 1.255 337 N HN 0.204 nan 8.380 nan 0.000 0.447 338 K N 0.766 121.112 120.400 -0.090 0.000 2.211 338 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 338 K C 0.841 177.404 176.600 -0.061 0.000 1.050 338 K CA 1.036 57.281 56.287 -0.070 0.000 0.945 338 K CB -0.564 31.896 32.500 -0.067 0.000 0.732 338 K HN 0.268 nan 8.250 nan 0.000 0.451 339 N N 0.252 118.917 118.700 -0.059 0.000 2.765 339 N HA 0.053 4.793 4.740 -0.000 0.000 0.277 339 N C 0.457 176.015 175.510 0.081 0.000 1.750 339 N CA 0.409 53.456 53.050 -0.005 0.000 0.827 339 N CB 1.036 39.522 38.487 -0.002 0.000 1.200 339 N HN 0.430 nan 8.380 nan 0.000 0.494 340 S N -0.833 114.868 115.700 0.002 0.000 2.377 340 S HA -0.094 4.375 4.470 -0.000 0.000 0.223 340 S C 1.909 176.547 174.600 0.063 0.000 1.030 340 S CA 0.795 59.005 58.200 0.016 0.000 0.970 340 S CB -0.101 63.068 63.200 -0.052 0.000 0.830 340 S HN 0.296 nan 8.310 nan 0.000 0.473 341 S N 2.089 117.741 115.700 -0.079 0.000 2.414 341 S HA -0.238 4.232 4.470 -0.000 0.000 0.238 341 S C 1.287 175.828 174.600 -0.098 0.000 1.055 341 S CA 1.729 59.798 58.200 -0.220 0.000 1.174 341 S CB -1.345 61.510 63.200 -0.574 0.000 1.087 341 S HN 0.720 nan 8.310 nan 0.000 0.428 342 Y N 1.433 121.772 120.300 0.065 0.000 2.497 342 Y HA 0.227 4.777 4.550 -0.000 0.000 0.345 342 Y C -0.211 175.551 175.900 -0.230 0.000 1.204 342 Y CA -0.682 57.401 58.100 -0.029 0.000 1.265 342 Y CB -0.777 37.655 38.460 -0.046 0.000 1.121 342 Y HN 0.081 nan 8.280 nan 0.000 0.493 343 F N -1.695 118.335 119.950 0.133 0.000 2.538 343 F HA 0.431 4.958 4.527 -0.000 0.000 0.325 343 F C 0.012 175.825 175.800 0.022 0.000 1.066 343 F CA -1.660 56.383 58.000 0.073 0.000 0.946 343 F CB 0.710 39.688 39.000 -0.036 0.000 1.199 343 F HN -0.479 nan 8.300 nan 0.000 0.473 344 V N 2.083 122.046 119.914 0.082 0.000 2.715 344 V HA 0.033 4.153 4.120 -0.000 0.000 0.299 344 V C 0.532 176.525 176.094 -0.170 0.000 1.054 344 V CA 0.362 62.569 62.300 -0.155 0.000 1.077 344 V CB 1.360 32.840 31.823 -0.573 0.000 0.972 344 V HN 0.793 nan 8.190 nan 0.000 0.484 345 E N 4.254 124.393 120.200 -0.101 0.000 2.122 345 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 345 E C 1.757 178.332 176.600 -0.041 0.000 0.977 345 E CA 1.250 57.641 56.400 -0.014 0.000 0.820 345 E CB -0.053 29.709 29.700 0.104 0.000 0.770 345 E HN 0.906 nan 8.360 nan 0.000 0.462 346 W N 1.364 122.708 121.300 0.074 0.000 2.595 346 W HA 0.134 4.793 4.660 -0.000 0.000 0.257 346 W C -0.017 176.523 176.519 0.036 0.000 1.267 346 W CA 0.059 57.440 57.345 0.059 0.000 1.300 346 W CB -0.813 28.693 29.460 0.077 0.000 1.120 346 W HN -0.096 nan 8.180 nan 0.000 0.618 347 I N 1.028 121.441 120.570 -0.262 0.000 2.321 347 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 347 I C -1.722 174.333 176.117 -0.103 0.000 0.998 347 I CA -2.446 58.771 61.300 -0.137 0.000 1.227 347 I CB 1.035 38.910 38.000 -0.209 0.000 1.368 347 I HN -0.452 nan 8.210 nan 0.000 0.466 348 P HA -0.056 nan 4.420 nan 0.000 0.205 348 P C 0.007 177.276 177.300 -0.050 0.000 1.203 348 P CA 1.271 64.354 63.100 -0.029 0.000 0.926 348 P CB 0.050 31.746 31.700 -0.007 0.000 0.767 349 N N -0.183 118.491 118.700 -0.043 0.000 3.052 349 N HA 0.057 4.797 4.740 -0.000 0.000 0.302 349 N C 0.071 175.553 175.510 -0.047 0.000 1.332 349 N CA -0.170 52.849 53.050 -0.051 0.000 1.129 349 N CB -1.153 37.309 38.487 -0.041 0.000 1.436 349 N HN 0.349 nan 8.380 nan 0.000 0.536 350 N N -0.649 118.021 118.700 -0.050 0.000 2.421 350 N HA -0.028 4.711 4.740 -0.000 0.000 0.201 350 N C -0.222 175.311 175.510 0.037 0.000 1.198 350 N CA -0.256 52.783 53.050 -0.019 0.000 0.838 350 N CB 0.545 39.006 38.487 -0.043 0.000 1.011 350 N HN 0.047 nan 8.380 nan 0.000 0.463 351 V N 0.233 120.147 119.914 -0.001 0.000 2.558 351 V HA 0.298 4.418 4.120 -0.000 0.000 0.261 351 V C -1.346 174.760 176.094 0.021 0.000 0.958 351 V CA -0.899 61.431 62.300 0.050 0.000 0.852 351 V CB 0.551 32.427 31.823 0.089 0.000 1.067 351 V HN 0.066 nan 8.190 nan 0.000 0.468 352 K N 3.390 123.807 120.400 0.028 0.000 2.118 352 K HA 0.686 5.006 4.320 -0.000 0.000 0.267 352 K C 0.095 176.723 176.600 0.047 0.000 0.991 352 K CA -0.136 56.161 56.287 0.017 0.000 0.916 352 K CB 1.810 34.312 32.500 0.002 0.000 1.041 352 K HN 0.844 nan 8.250 nan 0.000 0.455 353 T N -2.119 112.455 114.554 0.033 0.000 2.909 353 T HA 0.803 5.153 4.350 -0.000 0.000 0.299 353 T C -0.701 174.009 174.700 0.017 0.000 1.073 353 T CA -0.945 61.191 62.100 0.061 0.000 0.999 353 T CB 2.036 70.959 68.868 0.092 0.000 1.098 353 T HN 0.614 nan 8.240 nan 0.000 0.477 354 A N 1.221 124.073 122.820 0.052 0.000 2.524 354 A HA 0.980 5.300 4.320 -0.000 0.000 0.286 354 A C -0.759 176.864 177.584 0.064 0.000 1.203 354 A CA -0.631 51.420 52.037 0.024 0.000 0.736 354 A CB 1.575 20.590 19.000 0.025 0.000 1.322 354 A HN 2.041 nan 8.150 nan 0.000 0.424 355 V N -2.585 117.347 119.914 0.030 0.000 2.668 355 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 355 V C -0.524 175.580 176.094 0.018 0.000 1.071 355 V CA -0.775 61.553 62.300 0.046 0.000 0.894 355 V CB 0.341 32.155 31.823 -0.014 0.000 1.008 355 V HN 1.708 nan 8.190 nan 0.000 0.425 356 C N 4.640 123.949 119.300 0.015 0.000 2.417 356 C HA 0.801 5.261 4.460 -0.000 0.000 0.324 356 C C 0.859 175.799 174.990 -0.083 0.000 1.240 356 C CA 0.174 59.167 59.018 -0.042 0.000 1.632 356 C CB 1.408 29.120 27.740 -0.047 0.000 2.241 356 C HN 1.034 nan 8.230 nan 0.000 0.499 357 D N 2.978 123.308 120.400 -0.115 0.000 2.349 357 D HA 0.121 4.761 4.640 -0.000 0.000 0.214 357 D C 0.225 176.431 176.300 -0.156 0.000 1.063 357 D CA 0.075 54.010 54.000 -0.108 0.000 0.847 357 D CB -0.195 40.559 40.800 -0.077 0.000 0.933 357 D HN 0.541 nan 8.370 nan 0.000 0.513 358 I N 2.091 122.500 120.570 -0.267 0.000 2.287 358 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 358 I C -2.325 173.621 176.117 -0.285 0.000 1.069 358 I CA -2.275 58.837 61.300 -0.313 0.000 1.237 358 I CB 0.821 38.528 38.000 -0.488 0.000 1.418 358 I HN -0.262 nan 8.210 nan 0.000 0.481 359 P HA 0.167 nan 4.420 nan 0.000 0.272 359 P C -2.561 174.682 177.300 -0.094 0.000 1.248 359 P CA -0.663 62.370 63.100 -0.111 0.000 0.799 359 P CB -0.313 31.343 31.700 -0.072 0.000 0.997 370 G N 0.309 109.118 108.800 0.015 0.000 2.622 370 G HA2 0.258 4.218 3.960 -0.000 0.000 0.272 370 G HA3 0.258 4.218 3.960 -0.000 0.000 0.272 370 G C -0.174 174.731 174.900 0.008 0.000 1.308 370 G CA 0.158 45.268 45.100 0.016 0.000 0.919 370 G HN 2.381 nan 8.290 nan 0.000 0.565 371 L N -1.444 119.783 121.223 0.006 0.000 3.052 371 L HA -0.177 4.162 4.340 -0.000 0.000 0.540 371 L C 1.911 178.768 176.870 -0.022 0.000 1.001 371 L CA 1.512 56.348 54.840 -0.007 0.000 1.287 371 L CB -1.328 40.731 42.059 0.001 0.000 1.312 371 L HN 0.976 nan 8.230 nan 0.000 0.637 372 K N 1.841 122.225 120.400 -0.026 0.000 2.025 372 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 372 K C 0.680 177.256 176.600 -0.040 0.000 1.049 372 K CA 1.341 57.610 56.287 -0.030 0.000 0.933 372 K CB 0.179 32.664 32.500 -0.024 0.000 0.714 372 K HN 0.482 nan 8.250 nan 0.000 0.438 373 M N 0.943 120.513 119.600 -0.050 0.000 2.327 373 M HA 0.128 4.608 4.480 -0.000 0.000 0.298 373 M C -1.491 174.737 176.300 -0.120 0.000 1.065 373 M CA -0.189 55.074 55.300 -0.062 0.000 0.916 373 M CB 2.526 35.102 32.600 -0.039 0.000 1.630 373 M HN 0.142 nan 8.290 nan 0.000 0.442 374 S N 2.672 118.270 115.700 -0.171 0.000 2.565 374 S HA 0.990 5.460 4.470 -0.000 0.000 0.269 374 S C -1.643 172.683 174.600 -0.457 0.000 1.153 374 S CA -0.714 57.286 58.200 -0.333 0.000 0.835 374 S CB 1.750 64.754 63.200 -0.327 0.000 1.122 374 S HN 1.018 nan 8.310 nan 0.000 0.462 375 A N 1.251 123.653 122.820 -0.697 0.000 2.414 375 A HA 0.895 5.215 4.320 -0.000 0.000 0.306 375 A C -0.177 177.024 177.584 -0.638 0.000 1.054 375 A CA -0.380 51.205 52.037 -0.754 0.000 0.724 375 A CB 1.664 20.061 19.000 -1.005 0.000 1.267 375 A HN 1.751 nan 8.150 nan 0.000 0.418 376 T N -0.181 114.180 114.554 -0.322 0.000 2.812 376 T HA 0.610 4.959 4.350 -0.000 0.000 0.282 376 T C -1.192 173.535 174.700 0.044 0.000 0.990 376 T CA -0.422 61.674 62.100 -0.008 0.000 0.960 376 T CB 0.668 69.640 68.868 0.173 0.000 0.948 376 T HN 1.028 nan 8.240 nan 0.000 0.438 377 F N 6.024 125.936 119.950 -0.064 0.000 2.361 377 F HA 0.655 5.182 4.527 -0.000 0.000 0.364 377 F C -0.932 174.892 175.800 0.039 0.000 1.117 377 F CA -2.093 55.851 58.000 -0.094 0.000 1.071 377 F CB 0.387 39.276 39.000 -0.185 0.000 1.188 377 F HN 0.612 nan 8.300 nan 0.000 0.464 378 I N 4.602 124.949 120.570 -0.371 0.000 2.428 378 I HA 0.567 4.737 4.170 -0.000 0.000 0.296 378 I C 0.362 175.964 176.117 -0.859 0.000 0.985 378 I CA -0.721 60.300 61.300 -0.464 0.000 1.260 378 I CB 1.779 39.641 38.000 -0.230 0.000 1.389 378 I HN 0.832 nan 8.210 nan 0.000 0.484 379 G N 4.287 112.660 108.800 -0.711 0.000 3.919 379 G HA2 0.018 3.977 3.960 -0.000 0.000 0.284 379 G HA3 0.018 3.977 3.960 -0.000 0.000 0.284 379 G C -0.269 174.583 174.900 -0.079 0.000 2.841 379 G CA -0.611 44.153 45.100 -0.561 0.000 0.605 379 G HN 0.757 nan 8.290 nan 0.000 0.337 380 N N 1.359 120.130 118.700 0.118 0.000 2.775 380 N HA -0.006 4.733 4.740 -0.000 0.000 0.321 380 N C 0.609 176.090 175.510 -0.048 0.000 1.172 380 N CA 0.147 53.308 53.050 0.184 0.000 1.171 380 N CB 0.118 38.766 38.487 0.269 0.000 1.415 380 N HN 0.318 nan 8.380 nan 0.000 0.533 381 S N 0.002 115.582 115.700 -0.200 0.000 2.480 381 S HA 0.088 4.558 4.470 -0.000 0.000 0.286 381 S C 1.596 175.919 174.600 -0.462 0.000 1.180 381 S CA -0.812 57.150 58.200 -0.396 0.000 1.075 381 S CB 1.212 64.044 63.200 -0.614 0.000 0.996 381 S HN 0.506 nan 8.310 nan 0.000 0.487 382 T N 2.541 116.820 114.554 -0.459 0.000 3.098 382 T HA 0.001 4.350 4.350 -0.000 0.000 0.266 382 T C 1.609 176.086 174.700 -0.371 0.000 1.145 382 T CA 0.863 62.618 62.100 -0.574 0.000 1.092 382 T CB -0.374 68.356 68.868 -0.230 0.000 0.908 382 T HN 0.660 nan 8.240 nan 0.000 0.526 383 A N 1.106 123.735 122.820 -0.318 0.000 2.168 383 A HA 0.200 4.520 4.320 -0.000 0.000 0.215 383 A C 2.167 179.613 177.584 -0.230 0.000 1.152 383 A CA 0.296 52.193 52.037 -0.233 0.000 0.716 383 A CB -0.734 18.132 19.000 -0.224 0.000 0.794 383 A HN 0.477 nan 8.150 nan 0.000 0.465 384 I N 0.520 120.909 120.570 -0.303 0.000 2.248 384 I HA -0.290 3.879 4.170 -0.000 0.000 0.248 384 I C 2.483 178.416 176.117 -0.307 0.000 1.107 384 I CA 1.816 62.920 61.300 -0.328 0.000 1.373 384 I CB -1.004 36.782 38.000 -0.357 0.000 1.055 384 I HN 0.616 nan 8.210 nan 0.000 0.418 385 Q N 0.472 120.215 119.800 -0.095 0.000 2.197 385 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 385 Q C 1.834 177.827 176.000 -0.012 0.000 0.993 385 Q CA 1.821 57.678 55.803 0.091 0.000 0.883 385 Q CB -0.020 28.807 28.738 0.149 0.000 0.916 385 Q HN 0.537 nan 8.270 nan 0.000 0.418 386 E N 0.484 120.624 120.200 -0.099 0.000 2.085 386 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 386 E C 2.122 178.669 176.600 -0.088 0.000 0.994 386 E CA 1.260 57.590 56.400 -0.117 0.000 0.801 386 E CB -0.261 29.335 29.700 -0.173 0.000 0.743 386 E HN 0.448 nan 8.360 nan 0.000 0.453 387 L N -0.039 121.106 121.223 -0.131 0.000 1.961 387 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 387 L C 2.421 179.298 176.870 0.012 0.000 1.075 387 L CA 1.333 56.111 54.840 -0.104 0.000 0.749 387 L CB -0.663 41.280 42.059 -0.194 0.000 0.890 387 L HN 0.010 nan 8.230 nan 0.000 0.433 388 F N 0.386 120.302 119.950 -0.056 0.000 2.048 388 F HA -0.421 4.105 4.527 -0.000 0.000 0.296 388 F C 2.611 178.358 175.800 -0.088 0.000 1.109 388 F CA 1.827 59.766 58.000 -0.102 0.000 1.214 388 F CB -0.457 38.452 39.000 -0.153 0.000 0.963 388 F HN 0.125 nan 8.300 nan 0.000 0.491 389 K N 0.134 120.621 120.400 0.145 0.000 2.160 389 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 389 K C 1.936 178.560 176.600 0.040 0.000 1.047 389 K CA 1.845 58.166 56.287 0.056 0.000 0.930 389 K CB -0.233 32.283 32.500 0.026 0.000 0.720 389 K HN 0.432 nan 8.250 nan 0.000 0.450 390 R N 0.836 121.360 120.500 0.041 0.000 2.090 390 R HA -0.097 4.243 4.340 -0.000 0.000 0.228 390 R C 2.346 178.672 176.300 0.044 0.000 1.110 390 R CA 1.521 57.639 56.100 0.029 0.000 0.973 390 R CB -0.798 29.511 30.300 0.015 0.000 0.869 390 R HN 0.288 nan 8.270 nan 0.000 0.440 391 I N -0.628 119.978 120.570 0.060 0.000 2.162 391 I HA -0.062 4.108 4.170 -0.000 0.000 0.238 391 I C 2.378 178.546 176.117 0.084 0.000 1.076 391 I CA 1.685 63.024 61.300 0.065 0.000 1.353 391 I CB -0.706 37.329 38.000 0.059 0.000 1.063 391 I HN 0.112 nan 8.210 nan 0.000 0.408 392 S N 0.485 116.207 115.700 0.037 0.000 2.441 392 S HA -0.319 4.151 4.470 -0.000 0.000 0.242 392 S C 1.988 176.660 174.600 0.121 0.000 1.018 392 S CA 1.934 60.159 58.200 0.042 0.000 0.988 392 S CB -0.726 62.438 63.200 -0.059 0.000 0.778 392 S HN 0.803 nan 8.310 nan 0.000 0.498 393 E N 0.656 120.906 120.200 0.083 0.000 2.112 393 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 393 E C 1.750 178.400 176.600 0.082 0.000 0.979 393 E CA 1.384 57.827 56.400 0.071 0.000 0.814 393 E CB -0.364 29.360 29.700 0.041 0.000 0.762 393 E HN 0.738 nan 8.360 nan 0.000 0.460 394 Q N -0.786 119.065 119.800 0.085 0.000 2.392 394 Q HA 0.149 4.489 4.340 -0.000 0.000 0.203 394 Q C 1.535 177.588 176.000 0.089 0.000 0.917 394 Q CA 0.346 56.184 55.803 0.058 0.000 0.939 394 Q CB -0.314 28.433 28.738 0.015 0.000 1.063 394 Q HN 0.305 nan 8.270 nan 0.000 0.516 395 F N 1.949 121.913 119.950 0.023 0.000 2.053 395 F HA -0.122 4.405 4.527 -0.000 0.000 0.292 395 F C 1.748 177.657 175.800 0.181 0.000 1.125 395 F CA 1.903 59.954 58.000 0.085 0.000 1.193 395 F CB -0.367 38.644 39.000 0.018 0.000 0.996 395 F HN -0.030 nan 8.300 nan 0.000 0.470 396 T N 0.690 115.393 114.554 0.248 0.000 3.007 396 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 396 T C 1.985 176.759 174.700 0.122 0.000 1.107 396 T CA 0.853 63.073 62.100 0.200 0.000 1.118 396 T CB -0.670 68.340 68.868 0.237 0.000 0.889 396 T HN 0.370 nan 8.240 nan 0.000 0.506 397 A N 0.379 123.250 122.820 0.085 0.000 2.172 397 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 397 A C 2.128 179.731 177.584 0.032 0.000 1.154 397 A CA 0.910 52.977 52.037 0.051 0.000 0.701 397 A CB -0.444 18.578 19.000 0.037 0.000 0.789 397 A HN 0.479 nan 8.150 nan 0.000 0.465 398 M N -3.395 116.218 119.600 0.021 0.000 2.838 398 M HA 0.264 4.744 4.480 -0.000 0.000 0.251 398 M C 1.505 177.904 176.300 0.165 0.000 1.393 398 M CA 0.381 55.705 55.300 0.040 0.000 1.196 398 M CB 0.315 32.836 32.600 -0.133 0.000 1.276 398 M HN 0.384 nan 8.290 nan 0.000 0.541 399 F N 1.556 121.462 119.950 -0.073 0.000 2.494 399 F HA -0.077 4.449 4.527 -0.000 0.000 0.298 399 F C 1.755 177.535 175.800 -0.034 0.000 1.106 399 F CA 0.862 58.795 58.000 -0.112 0.000 1.452 399 F CB -0.296 38.505 39.000 -0.332 0.000 1.085 399 F HN 0.027 nan 8.300 nan 0.000 0.569 400 R N 0.921 121.433 120.500 0.021 0.000 2.614 400 R HA -0.267 4.073 4.340 -0.000 0.000 0.156 400 R C 1.576 177.792 176.300 -0.140 0.000 0.617 400 R CA 1.953 58.036 56.100 -0.029 0.000 1.079 400 R CB -0.672 29.637 30.300 0.014 0.000 0.521 400 R HN 0.072 nan 8.270 nan 0.000 0.549 401 R N 1.875 122.323 120.500 -0.086 0.000 4.054 401 R HA -0.007 4.333 4.340 -0.000 0.000 0.227 401 R C -0.597 175.622 176.300 -0.135 0.000 1.902 401 R CA 0.206 56.243 56.100 -0.105 0.000 1.590 401 R CB -0.789 29.480 30.300 -0.052 0.000 1.245 401 R HN 0.338 nan 8.270 nan 0.000 0.647 402 K N -0.110 120.132 120.400 -0.263 0.000 4.789 402 K HA -0.277 4.042 4.320 -0.000 0.000 0.290 402 K C 0.522 177.095 176.600 -0.045 0.000 0.798 402 K CA 0.444 56.550 56.287 -0.301 0.000 0.860 402 K CB -0.740 31.504 32.500 -0.427 0.000 1.852 402 K HN 0.454 nan 8.250 nan 0.000 0.413 403 A N 1.450 124.350 122.820 0.135 0.000 3.894 403 A HA 0.200 4.520 4.320 -0.000 0.000 0.155 403 A C 0.915 178.752 177.584 0.422 0.000 1.539 403 A CA 0.341 52.536 52.037 0.263 0.000 1.073 403 A CB -0.465 18.759 19.000 0.372 0.000 1.250 403 A HN 0.440 nan 8.150 nan 0.000 0.538 404 F N 0.230 120.382 119.950 0.336 0.000 2.406 404 F HA -0.189 4.338 4.527 -0.001 0.000 0.297 404 F C 1.925 178.036 175.800 0.518 0.000 1.059 404 F CA 1.027 59.305 58.000 0.463 0.000 1.458 404 F CB -1.129 38.157 39.000 0.478 0.000 1.107 404 F HN 0.381 nan 8.300 nan 0.000 0.582 405 L N 0.642 122.204 121.223 0.565 0.000 2.137 405 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 405 L C 2.879 179.857 176.870 0.180 0.000 1.085 405 L CA 2.111 57.064 54.840 0.188 0.000 0.760 405 L CB -0.868 41.085 42.059 -0.175 0.000 0.893 405 L HN 0.463 nan 8.230 nan 0.000 0.434 406 H N -2.276 116.831 119.070 0.063 0.000 2.541 406 H HA -0.236 4.320 4.556 -0.000 0.000 0.289 406 H C 1.412 176.696 175.328 -0.072 0.000 1.054 406 H CA 1.429 57.424 56.048 -0.088 0.000 1.250 406 H CB -0.820 28.785 29.762 -0.261 0.000 1.369 406 H HN 0.644 nan 8.280 nan 0.000 0.578 407 W N 0.313 121.403 121.300 -0.350 0.000 2.678 407 W HA -0.031 4.629 4.660 -0.000 0.000 0.256 407 W C 1.071 177.538 176.519 -0.087 0.000 1.280 407 W CA 0.173 57.365 57.345 -0.254 0.000 1.345 407 W CB 0.124 29.463 29.460 -0.202 0.000 1.118 407 W HN 0.204 nan 8.180 nan 0.000 0.629 408 Y N -2.217 118.192 120.300 0.181 0.000 2.607 408 Y HA 0.105 4.655 4.550 0.000 0.000 0.276 408 Y C 2.332 178.246 175.900 0.024 0.000 1.117 408 Y CA 0.370 58.567 58.100 0.162 0.000 1.273 408 Y CB -1.226 37.368 38.460 0.222 0.000 1.282 408 Y HN -0.329 nan 8.280 nan 0.000 0.514 409 T N 0.390 115.015 114.554 0.118 0.000 2.527 409 T HA -0.320 4.030 4.350 -0.000 0.000 0.258 409 T C 2.236 176.960 174.700 0.040 0.000 1.175 409 T CA 2.576 64.686 62.100 0.018 0.000 1.168 409 T CB -1.024 67.850 68.868 0.010 0.000 0.860 409 T HN 0.630 nan 8.240 nan 0.000 0.429 410 G N 0.617 109.453 108.800 0.061 0.000 2.443 410 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 410 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 410 G C 1.482 176.418 174.900 0.061 0.000 1.131 410 G CA 0.450 45.581 45.100 0.052 0.000 0.775 410 G HN 0.379 nan 8.290 nan 0.000 0.547 411 E N 0.307 120.562 120.200 0.092 0.000 2.409 411 E HA 0.044 4.394 4.350 -0.000 0.000 0.198 411 E C 1.793 178.419 176.600 0.044 0.000 1.024 411 E CA 0.715 57.167 56.400 0.088 0.000 0.861 411 E CB -0.155 29.620 29.700 0.125 0.000 0.788 411 E HN 0.470 nan 8.360 nan 0.000 0.521 412 G N 0.489 109.298 108.800 0.014 0.000 2.155 412 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.135 412 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.135 412 G C 0.163 174.993 174.900 -0.116 0.000 1.023 412 G CA 0.059 45.130 45.100 -0.049 0.000 0.688 412 G HN 0.082 nan 8.290 nan 0.000 0.499 413 M N 0.394 119.968 119.600 -0.043 0.000 2.537 413 M HA 0.401 4.881 4.480 -0.000 0.000 0.324 413 M C -0.694 175.589 176.300 -0.028 0.000 1.187 413 M CA -0.707 54.573 55.300 -0.032 0.000 0.993 413 M CB 1.372 34.064 32.600 0.154 0.000 1.666 413 M HN 0.095 nan 8.290 nan 0.000 0.461 414 D N 1.439 121.832 120.400 -0.012 0.000 2.225 414 D HA 0.069 4.708 4.640 -0.000 0.000 0.248 414 D C 0.682 176.963 176.300 -0.031 0.000 1.096 414 D CA 0.149 54.139 54.000 -0.016 0.000 0.863 414 D CB 1.466 42.268 40.800 0.004 0.000 1.156 414 D HN 0.655 nan 8.370 nan 0.000 0.450 415 E N 3.264 123.434 120.200 -0.050 0.000 2.170 415 E HA -0.356 3.994 4.350 -0.000 0.000 0.229 415 E C 1.700 178.347 176.600 0.078 0.000 1.074 415 E CA 3.106 59.489 56.400 -0.028 0.000 0.930 415 E CB -0.291 29.398 29.700 -0.019 0.000 0.806 415 E HN 0.671 nan 8.360 nan 0.000 0.478 416 M N -0.518 119.127 119.600 0.075 0.000 2.562 416 M HA 0.158 4.638 4.480 -0.000 0.000 0.257 416 M C 1.798 178.147 176.300 0.081 0.000 1.099 416 M CA 1.613 56.970 55.300 0.096 0.000 1.099 416 M CB 0.028 32.664 32.600 0.061 0.000 1.427 416 M HN 0.096 nan 8.290 nan 0.000 0.489 417 E N 0.054 120.310 120.200 0.093 0.000 2.204 417 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 417 E C 1.270 177.952 176.600 0.136 0.000 0.989 417 E CA 0.934 57.394 56.400 0.101 0.000 0.824 417 E CB -0.036 29.739 29.700 0.124 0.000 0.756 417 E HN 0.576 nan 8.360 nan 0.000 0.477 418 F N 0.992 120.854 119.950 -0.147 0.000 2.074 418 F HA -0.148 4.379 4.527 -0.001 0.000 0.293 418 F C 2.711 178.274 175.800 -0.394 0.000 1.116 418 F CA 1.664 59.499 58.000 -0.275 0.000 1.212 418 F CB -1.131 37.695 39.000 -0.290 0.000 0.998 418 F HN 0.013 nan 8.300 nan 0.000 0.471 419 T N -1.156 113.238 114.554 -0.266 0.000 2.721 419 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 419 T C 1.795 176.415 174.700 -0.133 0.000 1.038 419 T CA 1.613 63.565 62.100 -0.246 0.000 1.145 419 T CB -0.541 68.290 68.868 -0.062 0.000 0.858 419 T HN 0.312 nan 8.240 nan 0.000 0.459 420 E N 0.827 120.984 120.200 -0.071 0.000 2.265 420 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 420 E C 2.083 178.667 176.600 -0.027 0.000 0.996 420 E CA 0.885 57.263 56.400 -0.037 0.000 0.832 420 E CB -0.084 29.617 29.700 0.002 0.000 0.756 420 E HN 0.640 nan 8.360 nan 0.000 0.491 421 A N -0.037 122.725 122.820 -0.096 0.000 2.324 421 A HA 0.048 4.367 4.320 -0.000 0.000 0.220 421 A C 1.714 179.090 177.584 -0.345 0.000 1.209 421 A CA -0.130 51.881 52.037 -0.042 0.000 0.918 421 A CB 0.174 19.070 19.000 -0.174 0.000 0.959 421 A HN 0.145 nan 8.150 nan 0.000 0.507 422 E N 0.118 120.065 120.200 -0.422 0.000 2.077 422 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 422 E C 2.028 178.438 176.600 -0.317 0.000 0.989 422 E CA 1.361 57.473 56.400 -0.480 0.000 0.800 422 E CB -0.049 29.472 29.700 -0.298 0.000 0.746 422 E HN 0.488 nan 8.360 nan 0.000 0.452 423 S N 0.572 116.135 115.700 -0.227 0.000 2.356 423 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 423 S C 1.866 176.321 174.600 -0.243 0.000 1.032 423 S CA 1.144 59.231 58.200 -0.189 0.000 1.005 423 S CB -0.412 62.709 63.200 -0.132 0.000 0.867 423 S HN 0.345 nan 8.310 nan 0.000 0.449 424 N N 0.295 118.826 118.700 -0.283 0.000 2.334 424 N HA -0.106 4.633 4.740 -0.000 0.000 0.187 424 N C 1.746 176.996 175.510 -0.434 0.000 1.016 424 N CA 0.998 53.816 53.050 -0.388 0.000 0.879 424 N CB -0.174 37.939 38.487 -0.623 0.000 0.965 424 N HN 0.466 nan 8.380 nan 0.000 0.438 425 M N 0.434 119.772 119.600 -0.436 0.000 2.160 425 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 425 M C 0.910 176.981 176.300 -0.382 0.000 1.073 425 M CA 0.999 55.999 55.300 -0.500 0.000 1.142 425 M CB -0.196 32.089 32.600 -0.526 0.000 1.358 425 M HN 0.038 nan 8.290 nan 0.000 0.422 426 N N 1.125 119.656 118.700 -0.281 0.000 2.519 426 N HA -0.129 4.610 4.740 -0.000 0.000 0.186 426 N C 0.849 176.246 175.510 -0.189 0.000 1.062 426 N CA 0.942 53.875 53.050 -0.195 0.000 0.910 426 N CB -0.469 37.932 38.487 -0.144 0.000 0.958 426 N HN 0.393 nan 8.380 nan 0.000 0.445 427 D N 0.585 120.846 120.400 -0.232 0.000 2.113 427 D HA -0.061 4.579 4.640 -0.000 0.000 0.206 427 D C 1.980 178.126 176.300 -0.258 0.000 0.979 427 D CA 0.265 54.130 54.000 -0.224 0.000 0.862 427 D CB -0.654 40.005 40.800 -0.234 0.000 1.013 427 D HN 0.046 nan 8.370 nan 0.000 0.455 428 L N 1.300 122.315 121.223 -0.345 0.000 2.211 428 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 428 L C 2.099 178.775 176.870 -0.323 0.000 1.092 428 L CA 1.141 55.719 54.840 -0.437 0.000 0.767 428 L CB -0.433 41.261 42.059 -0.610 0.000 0.894 428 L HN -0.131 nan 8.230 nan 0.000 0.437 429 V N -1.546 118.250 119.914 -0.196 0.000 2.223 429 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 429 V C 2.029 178.103 176.094 -0.032 0.000 1.045 429 V CA 2.013 64.284 62.300 -0.049 0.000 1.000 429 V CB -0.408 31.389 31.823 -0.043 0.000 0.635 429 V HN 0.458 nan 8.190 nan 0.000 0.445 430 S N -1.104 114.545 115.700 -0.084 0.000 2.677 430 S HA 0.141 4.611 4.470 -0.000 0.000 0.246 430 S C 1.232 175.761 174.600 -0.118 0.000 1.005 430 S CA -0.031 58.126 58.200 -0.072 0.000 1.062 430 S CB -0.214 62.939 63.200 -0.078 0.000 0.778 430 S HN 0.594 nan 8.310 nan 0.000 0.461 431 E N -0.617 119.506 120.200 -0.128 0.000 2.306 431 E HA 0.106 4.456 4.350 -0.000 0.000 0.201 431 E C 0.926 177.531 176.600 0.007 0.000 0.874 431 E CA 0.059 56.346 56.400 -0.189 0.000 0.972 431 E CB -0.051 29.510 29.700 -0.231 0.000 0.957 431 E HN 0.569 nan 8.360 nan 0.000 0.492 432 Y N 1.359 121.681 120.300 0.037 0.000 2.128 432 Y HA -0.301 4.248 4.550 -0.000 0.000 0.284 432 Y C 2.719 178.669 175.900 0.084 0.000 1.154 432 Y CA 0.914 59.085 58.100 0.120 0.000 1.149 432 Y CB 0.136 38.644 38.460 0.081 0.000 0.976 432 Y HN 0.103 nan 8.280 nan 0.000 0.505 433 Q N 0.600 120.506 119.800 0.176 0.000 2.124 433 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 433 Q C 2.034 178.058 176.000 0.040 0.000 0.977 433 Q CA 1.503 57.358 55.803 0.087 0.000 0.850 433 Q CB -0.276 28.483 28.738 0.036 0.000 0.901 433 Q HN 0.356 nan 8.270 nan 0.000 0.429 434 Q N -1.078 118.687 119.800 -0.059 0.000 2.488 434 Q HA -0.096 4.244 4.340 -0.000 0.000 0.211 434 Q C -0.268 175.578 176.000 -0.257 0.000 0.967 434 Q CA 0.506 56.184 55.803 -0.208 0.000 0.926 434 Q CB 0.250 28.765 28.738 -0.372 0.000 0.992 434 Q HN 0.532 nan 8.270 nan 0.000 0.506 435 Y N 0.261 120.655 120.300 0.155 0.000 2.783 435 Y HA 0.244 4.794 4.550 -0.000 0.000 0.382 435 Y C -0.307 175.755 175.900 0.269 0.000 1.076 435 Y CA -0.507 57.747 58.100 0.257 0.000 1.530 435 Y CB 0.749 39.462 38.460 0.422 0.000 1.546 435 Y HN -0.051 nan 8.280 nan 0.000 0.537 436 Q N 1.243 121.233 119.800 0.316 0.000 2.907 436 Q HA 0.251 4.591 4.340 -0.000 0.000 0.262 436 Q C 0.288 176.434 176.000 0.243 0.000 0.997 436 Q CA -0.073 55.901 55.803 0.285 0.000 0.797 436 Q CB 0.719 29.575 28.738 0.196 0.000 1.228 436 Q HN 0.773 nan 8.270 nan 0.000 0.466 437 D N 0.276 120.868 120.400 0.321 0.000 2.428 437 D HA 0.852 5.492 4.640 -0.000 0.000 0.272 437 D C 0.178 176.565 176.300 0.145 0.000 1.195 437 D CA 0.469 54.578 54.000 0.182 0.000 1.105 437 D CB 0.245 41.085 40.800 0.066 0.000 1.109 437 D HN 0.489 nan 8.370 nan 0.000 0.433 438 A N 0.000 122.866 122.820 0.077 0.000 2.254 438 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 438 A CA 0.000 52.097 52.037 0.101 0.000 0.836 438 A CB 0.000 19.027 19.000 0.046 0.000 0.831 438 A HN 0.000 nan 8.150 nan 0.000 0.486