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_B 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 FAPLTSXXXX XXXXLTVPEL TQQMFDSKNM DATA SEQUENCE MAACDPRHGR YLTVAAVFRG RMSMKEVDEQ MLNVQNKNSS YFVEWIPNNV DATA SEQUENCE KTAVCDIPPX XXXXXXXRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR DATA SEQUENCE KAFLHWYTGE GMDEMEFTEA ESNMNDLVSE YQQYQDAT 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 56.069 56.100 -0.052 0.000 0.921 2 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 3 E N 0.536 120.671 120.200 -0.109 0.000 3.786 3 E HA 0.231 4.581 4.350 -0.000 0.000 0.367 3 E C -1.949 174.520 176.600 -0.218 0.000 1.072 3 E CA -0.205 56.112 56.400 -0.139 0.000 0.852 3 E CB 1.650 31.282 29.700 -0.114 0.000 1.231 3 E HN 0.186 nan 8.360 nan 0.000 0.510 4 I N 2.366 122.765 120.570 -0.285 0.000 2.533 4 I HA 0.716 4.886 4.170 -0.000 0.000 0.290 4 I C -0.969 174.983 176.117 -0.275 0.000 1.056 4 I CA -0.755 60.336 61.300 -0.348 0.000 1.057 4 I CB 1.502 39.243 38.000 -0.432 0.000 1.240 4 I HN 0.303 nan 8.210 nan 0.000 0.423 5 V N 5.009 124.845 119.914 -0.130 0.000 2.837 5 V HA 0.586 4.706 4.120 -0.000 0.000 0.310 5 V C -1.077 175.136 176.094 0.199 0.000 1.059 5 V CA -0.124 62.220 62.300 0.072 0.000 1.004 5 V CB 1.580 33.511 31.823 0.180 0.000 1.045 5 V HN 0.995 nan 8.190 nan 0.000 0.465 6 H N 3.409 122.540 119.070 0.101 0.000 2.689 6 H HA 0.590 5.146 4.556 -0.000 0.000 0.346 6 H C -1.587 173.780 175.328 0.065 0.000 1.037 6 H CA -0.978 55.131 56.048 0.102 0.000 1.234 6 H CB 1.895 31.777 29.762 0.201 0.000 1.572 6 H HN 0.759 nan 8.280 nan 0.000 0.524 7 I N 4.469 124.956 120.570 -0.139 0.000 2.404 7 I HA 0.139 4.309 4.170 -0.000 0.000 0.293 7 I C -0.467 175.429 176.117 -0.369 0.000 0.992 7 I CA -0.307 60.818 61.300 -0.291 0.000 1.149 7 I CB 1.869 39.762 38.000 -0.178 0.000 1.315 7 I HN 0.573 nan 8.210 nan 0.000 0.446 8 Q N 6.803 126.361 119.800 -0.404 0.000 2.695 8 Q HA 0.627 4.967 4.340 -0.000 0.000 0.246 8 Q C -1.876 174.027 176.000 -0.161 0.000 0.961 8 Q CA -0.606 55.037 55.803 -0.267 0.000 0.708 8 Q CB 1.619 30.125 28.738 -0.386 0.000 1.282 8 Q HN 0.756 nan 8.270 nan 0.000 0.482 9 A N 2.096 124.868 122.820 -0.080 0.000 2.318 9 A HA 0.940 5.260 4.320 -0.000 0.000 0.317 9 A C 0.055 177.645 177.584 0.009 0.000 1.159 9 A CA 0.077 52.074 52.037 -0.067 0.000 0.799 9 A CB 1.212 20.151 19.000 -0.101 0.000 1.194 9 A HN 1.029 nan 8.150 nan 0.000 0.479 10 G N 0.941 109.739 108.800 -0.004 0.000 2.617 10 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 10 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 10 G C 0.409 175.314 174.900 0.008 0.000 1.214 10 G CA 0.127 45.238 45.100 0.018 0.000 0.796 10 G HN 1.006 nan 8.290 nan 0.000 0.654 11 Q N -0.389 119.407 119.800 -0.006 0.000 2.077 11 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 11 Q C 2.725 178.693 176.000 -0.052 0.000 0.989 11 Q CA 3.014 58.799 55.803 -0.030 0.000 0.853 11 Q CB -0.256 28.452 28.738 -0.050 0.000 0.907 11 Q HN 1.020 nan 8.270 nan 0.000 0.418 12 C N -0.447 118.820 119.300 -0.055 0.000 2.500 12 C HA 0.098 4.558 4.460 -0.000 0.000 0.279 12 C C 2.746 177.747 174.990 0.018 0.000 1.288 12 C CA 1.032 60.016 59.018 -0.058 0.000 1.710 12 C CB -1.346 26.362 27.740 -0.052 0.000 2.052 12 C HN 0.735 nan 8.230 nan 0.000 0.488 13 G N 0.237 109.072 108.800 0.057 0.000 2.442 13 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 13 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 13 G C 1.478 176.419 174.900 0.070 0.000 1.141 13 G CA 1.351 46.511 45.100 0.100 0.000 0.763 13 G HN 0.696 nan 8.290 nan 0.000 0.554 14 N N -0.464 118.256 118.700 0.034 0.000 2.220 14 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 14 N C 2.105 177.652 175.510 0.062 0.000 1.023 14 N CA 0.996 54.058 53.050 0.021 0.000 0.856 14 N CB -0.152 38.328 38.487 -0.012 0.000 0.997 14 N HN 0.348 nan 8.380 nan 0.000 0.429 15 Q N 0.175 120.007 119.800 0.053 0.000 2.364 15 Q HA 0.044 4.384 4.340 -0.000 0.000 0.207 15 Q C 1.485 177.547 176.000 0.103 0.000 0.970 15 Q CA 0.886 56.735 55.803 0.077 0.000 0.888 15 Q CB 0.035 28.799 28.738 0.043 0.000 0.951 15 Q HN 0.360 nan 8.270 nan 0.000 0.469 16 I N -0.542 120.085 120.570 0.095 0.000 2.193 16 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 16 I C 2.105 178.313 176.117 0.151 0.000 1.084 16 I CA 1.413 62.774 61.300 0.102 0.000 1.365 16 I CB -0.557 37.489 38.000 0.076 0.000 1.064 16 I HN 0.367 nan 8.210 nan 0.000 0.410 17 G N -0.038 108.867 108.800 0.176 0.000 2.442 17 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 17 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 17 G C 1.789 176.993 174.900 0.507 0.000 1.141 17 G CA 0.908 46.193 45.100 0.308 0.000 0.763 17 G HN 0.517 nan 8.290 nan 0.000 0.554 18 A N 0.894 123.936 122.820 0.371 0.000 1.858 18 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 18 A C 2.413 180.228 177.584 0.386 0.000 1.190 18 A CA 2.011 54.306 52.037 0.430 0.000 0.617 18 A CB -0.310 18.862 19.000 0.286 0.000 0.827 18 A HN 0.254 nan 8.150 nan 0.000 0.443 19 K N -1.079 119.471 120.400 0.250 0.000 2.057 19 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 19 K C 1.784 178.467 176.600 0.139 0.000 1.050 19 K CA 1.295 57.676 56.287 0.156 0.000 0.935 19 K CB -0.842 31.720 32.500 0.103 0.000 0.715 19 K HN 0.525 nan 8.250 nan 0.000 0.439 20 F N 0.647 120.585 119.950 -0.019 0.000 2.032 20 F HA -0.300 4.227 4.527 -0.000 0.000 0.297 20 F C 2.135 177.854 175.800 -0.134 0.000 1.125 20 F CA 1.837 59.729 58.000 -0.181 0.000 1.202 20 F CB -0.706 38.092 39.000 -0.337 0.000 0.958 20 F HN 0.049 nan 8.300 nan 0.000 0.491 21 W N 1.133 122.651 121.300 0.364 0.000 2.338 21 W HA -0.197 4.462 4.660 -0.000 0.000 0.304 21 W C 2.732 179.281 176.519 0.050 0.000 1.212 21 W CA 1.715 59.224 57.345 0.273 0.000 1.264 21 W CB -0.559 29.182 29.460 0.469 0.000 1.142 21 W HN 0.347 nan 8.180 nan 0.000 0.512 22 E N -0.381 119.968 120.200 0.247 0.000 2.274 22 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 22 E C 1.838 178.320 176.600 -0.197 0.000 0.996 22 E CA 1.330 57.657 56.400 -0.122 0.000 0.840 22 E CB -0.554 28.951 29.700 -0.325 0.000 0.772 22 E HN 0.168 nan 8.360 nan 0.000 0.491 23 V N 2.246 122.065 119.914 -0.158 0.000 2.407 23 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 23 V C 2.511 178.492 176.094 -0.190 0.000 1.041 23 V CA 1.575 63.765 62.300 -0.182 0.000 1.040 23 V CB -0.348 31.362 31.823 -0.189 0.000 0.671 23 V HN 0.517 nan 8.190 nan 0.000 0.455 24 I N -1.996 118.375 120.570 -0.333 0.000 2.546 24 I HA -0.107 4.063 4.170 -0.000 0.000 0.255 24 I C 2.287 178.417 176.117 0.023 0.000 1.163 24 I CA 1.760 62.893 61.300 -0.278 0.000 1.457 24 I CB -0.289 37.273 38.000 -0.730 0.000 1.092 24 I HN 0.162 nan 8.210 nan 0.000 0.434 25 S N 0.653 116.423 115.700 0.117 0.000 2.453 25 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 25 S C 1.494 176.210 174.600 0.194 0.000 1.005 25 S CA 1.560 59.925 58.200 0.276 0.000 0.949 25 S CB -0.449 63.055 63.200 0.507 0.000 0.774 25 S HN 0.717 nan 8.310 nan 0.000 0.510 26 D N 0.915 121.357 120.400 0.071 0.000 2.103 26 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 26 D C 1.884 178.262 176.300 0.130 0.000 0.978 26 D CA 1.180 55.222 54.000 0.069 0.000 0.829 26 D CB -0.098 40.689 40.800 -0.021 0.000 0.981 26 D HN 0.311 nan 8.370 nan 0.000 0.464 27 E N -0.912 119.370 120.200 0.138 0.000 2.097 27 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 27 E C 2.007 178.717 176.600 0.183 0.000 1.000 27 E CA 1.266 57.779 56.400 0.188 0.000 0.804 27 E CB -0.030 29.839 29.700 0.281 0.000 0.740 27 E HN 0.561 nan 8.360 nan 0.000 0.454 28 H N -1.468 117.628 119.070 0.043 0.000 2.482 28 H HA 0.121 4.677 4.556 -0.000 0.000 0.286 28 H C 0.727 176.080 175.328 0.042 0.000 1.017 28 H CA 0.616 56.624 56.048 -0.066 0.000 1.322 28 H CB 0.475 30.072 29.762 -0.277 0.000 1.426 28 H HN 0.250 nan 8.280 nan 0.000 0.546 29 G N 1.432 110.392 108.800 0.267 0.000 2.846 29 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.254 29 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.254 29 G C -0.864 174.249 174.900 0.355 0.000 1.017 29 G CA -0.273 45.030 45.100 0.338 0.000 1.188 29 G HN 0.194 nan 8.290 nan 0.000 0.518 30 I N 1.640 122.392 120.570 0.303 0.000 2.533 30 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 30 I C -0.223 176.044 176.117 0.250 0.000 1.056 30 I CA -0.909 60.548 61.300 0.262 0.000 1.057 30 I CB 1.863 39.983 38.000 0.200 0.000 1.240 30 I HN 0.263 nan 8.210 nan 0.000 0.423 31 D N 7.664 128.128 120.400 0.106 0.000 2.449 31 D HA 0.057 4.697 4.640 -0.000 0.000 0.236 31 D C -1.529 174.584 176.300 -0.312 0.000 1.149 31 D CA -1.296 52.701 54.000 -0.004 0.000 0.878 31 D CB 0.403 41.187 40.800 -0.028 0.000 1.198 31 D HN 0.248 nan 8.370 nan 0.000 0.446 32 P HA -0.176 nan 4.420 nan 0.000 0.219 32 P C 0.632 177.550 177.300 -0.637 0.000 1.145 32 P CA 1.526 63.951 63.100 -1.125 0.000 0.813 32 P CB 0.366 31.778 31.700 -0.481 0.000 0.771 33 T N -2.955 111.397 114.554 -0.336 0.000 3.393 33 T HA 0.270 4.620 4.350 -0.000 0.000 0.231 33 T C 1.327 175.947 174.700 -0.133 0.000 0.983 33 T CA 0.516 62.492 62.100 -0.207 0.000 1.272 33 T CB -0.902 67.890 68.868 -0.128 0.000 1.214 33 T HN 0.009 nan 8.240 nan 0.000 0.368 34 G N 2.044 110.789 108.800 -0.093 0.000 2.326 34 G HA2 0.264 4.224 3.960 -0.000 0.000 0.232 34 G HA3 0.264 4.224 3.960 -0.000 0.000 0.232 34 G C 0.731 175.615 174.900 -0.026 0.000 1.559 34 G CA 0.715 45.780 45.100 -0.058 0.000 1.031 34 G HN 0.659 nan 8.290 nan 0.000 0.498 35 S N -2.179 113.509 115.700 -0.020 0.000 2.816 35 S HA 0.487 4.957 4.470 -0.000 0.000 0.253 35 S C -0.378 174.320 174.600 0.164 0.000 1.055 35 S CA -0.624 57.583 58.200 0.011 0.000 1.032 35 S CB 0.514 63.625 63.200 -0.149 0.000 1.270 35 S HN 0.568 nan 8.310 nan 0.000 0.587 36 Y N 1.923 122.244 120.300 0.034 0.000 2.442 36 Y HA 0.409 4.959 4.550 -0.000 0.000 0.330 36 Y C 0.334 176.260 175.900 0.044 0.000 1.129 36 Y CA 0.548 58.695 58.100 0.078 0.000 1.365 36 Y CB -0.644 37.878 38.460 0.103 0.000 1.233 36 Y HN 0.889 nan 8.280 nan 0.000 0.529 37 H N 1.765 120.744 119.070 -0.152 0.000 3.172 37 H HA 0.716 5.272 4.556 -0.000 0.000 0.322 37 H C -0.335 174.765 175.328 -0.380 0.000 1.003 37 H CA -0.616 55.245 56.048 -0.312 0.000 1.466 37 H CB 0.943 30.651 29.762 -0.089 0.000 1.673 37 H HN 1.206 nan 8.280 nan 0.000 0.512 38 G N 0.811 109.220 108.800 -0.652 0.000 2.443 38 G HA2 0.313 4.273 3.960 -0.000 0.000 0.303 38 G HA3 0.313 4.273 3.960 -0.000 0.000 0.303 38 G C -0.335 174.417 174.900 -0.246 0.000 1.613 38 G CA -0.035 44.871 45.100 -0.323 0.000 0.879 38 G HN 0.543 nan 8.290 nan 0.000 0.632 39 D N 0.009 120.373 120.400 -0.060 0.000 2.312 39 D HA 0.119 4.759 4.640 -0.000 0.000 0.211 39 D C 1.654 177.996 176.300 0.070 0.000 0.964 39 D CA 1.015 55.008 54.000 -0.011 0.000 0.877 39 D CB 0.326 41.121 40.800 -0.009 0.000 0.924 39 D HN 0.361 nan 8.370 nan 0.000 0.515 40 S N -0.390 115.396 115.700 0.143 0.000 2.589 40 S HA 0.047 4.517 4.470 -0.000 0.000 0.265 40 S C 0.705 175.462 174.600 0.261 0.000 1.342 40 S CA -0.225 58.077 58.200 0.170 0.000 1.005 40 S CB 1.144 64.433 63.200 0.150 0.000 0.909 40 S HN 0.222 nan 8.310 nan 0.000 0.555 41 D N -0.808 119.683 120.400 0.152 0.000 2.399 41 D HA 0.215 4.855 4.640 -0.000 0.000 0.269 41 D C 1.541 177.867 176.300 0.043 0.000 1.105 41 D CA 0.008 54.087 54.000 0.131 0.000 0.844 41 D CB -0.034 40.829 40.800 0.105 0.000 1.372 41 D HN 0.308 nan 8.370 nan 0.000 0.517 42 L N 1.371 122.616 121.223 0.036 0.000 1.908 42 L HA -0.268 4.072 4.340 -0.000 0.000 0.227 42 L C 2.149 179.016 176.870 -0.005 0.000 1.087 42 L CA 2.278 57.137 54.840 0.033 0.000 0.797 42 L CB -1.056 41.034 42.059 0.052 0.000 0.893 42 L HN 0.261 nan 8.230 nan 0.000 0.432 43 Q N -0.236 119.573 119.800 0.015 0.000 2.726 43 Q HA -0.327 4.013 4.340 -0.000 0.000 0.255 43 Q C 1.159 177.015 176.000 -0.240 0.000 1.486 43 Q CA 2.220 57.900 55.803 -0.205 0.000 1.024 43 Q CB -1.824 26.713 28.738 -0.335 0.000 0.876 43 Q HN 0.456 nan 8.270 nan 0.000 0.624 48 R N 0.936 121.425 120.500 -0.018 0.000 2.577 48 R HA 0.433 4.773 4.340 -0.000 0.000 0.344 48 R C 1.737 178.060 176.300 0.038 0.000 1.037 48 R CA -0.032 56.071 56.100 0.005 0.000 1.102 48 R CB 0.712 31.014 30.300 0.002 0.000 1.313 48 R HN 0.157 nan 8.270 nan 0.000 0.561 49 I N 1.330 121.902 120.570 0.002 0.000 2.617 49 I HA -0.196 3.974 4.170 -0.000 0.000 0.256 49 I C 1.833 177.924 176.117 -0.043 0.000 1.167 49 I CA 0.733 61.989 61.300 -0.072 0.000 1.469 49 I CB 0.064 37.884 38.000 -0.300 0.000 1.098 49 I HN 0.057 nan 8.210 nan 0.000 0.436 50 N N 0.458 119.143 118.700 -0.025 0.000 2.133 50 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 50 N C 1.740 177.270 175.510 0.034 0.000 1.012 50 N CA 1.707 54.762 53.050 0.009 0.000 0.871 50 N CB -0.332 38.162 38.487 0.011 0.000 1.011 50 N HN 0.295 nan 8.380 nan 0.000 0.435 51 V N -1.114 118.833 119.914 0.055 0.000 2.407 51 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 51 V C 0.920 176.994 176.094 -0.033 0.000 1.041 51 V CA 1.382 63.691 62.300 0.014 0.000 1.040 51 V CB -0.322 31.532 31.823 0.051 0.000 0.671 51 V HN 0.349 nan 8.190 nan 0.000 0.455 52 Y N -1.699 118.632 120.300 0.051 0.000 2.467 52 Y HA 0.337 4.887 4.550 -0.000 0.000 0.250 52 Y C -0.534 175.349 175.900 -0.028 0.000 1.155 52 Y CA -0.414 57.701 58.100 0.025 0.000 1.249 52 Y CB 0.600 39.017 38.460 -0.071 0.000 1.146 52 Y HN 0.283 nan 8.280 nan 0.000 0.524 53 Y N -0.267 120.098 120.300 0.107 0.000 2.315 53 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 53 Y C -0.481 175.426 175.900 0.011 0.000 1.062 53 Y CA -1.712 56.417 58.100 0.048 0.000 1.159 53 Y CB 0.639 39.025 38.460 -0.124 0.000 1.145 53 Y HN -0.165 nan 8.280 nan 0.000 0.442 54 N N 3.494 122.277 118.700 0.138 0.000 2.442 54 N HA 0.078 4.818 4.740 -0.000 0.000 0.265 54 N C -0.634 174.975 175.510 0.166 0.000 1.138 54 N CA -0.172 52.946 53.050 0.114 0.000 0.956 54 N CB 0.695 39.220 38.487 0.062 0.000 1.067 54 N HN 0.704 nan 8.380 nan 0.000 0.474 55 E N 1.386 121.707 120.200 0.201 0.000 2.266 55 E HA 0.657 5.007 4.350 -0.000 0.000 0.277 55 E C -0.541 176.140 176.600 0.135 0.000 1.018 55 E CA -0.969 55.592 56.400 0.268 0.000 0.840 55 E CB 1.209 31.151 29.700 0.404 0.000 1.082 55 E HN 0.457 nan 8.360 nan 0.000 0.395 56 A N 1.974 124.851 122.820 0.095 0.000 2.468 56 A HA 0.823 5.143 4.320 -0.000 0.000 0.270 56 A C 0.472 178.062 177.584 0.010 0.000 1.217 56 A CA -0.186 51.877 52.037 0.044 0.000 0.908 56 A CB 0.169 19.191 19.000 0.035 0.000 1.423 56 A HN 0.831 nan 8.150 nan 0.000 0.459 57 T N -1.693 112.863 114.554 0.002 0.000 2.748 57 T HA 0.576 4.926 4.350 -0.000 0.000 0.304 57 T C 1.375 176.058 174.700 -0.028 0.000 1.041 57 T CA 1.184 63.277 62.100 -0.011 0.000 1.033 57 T CB -0.370 68.496 68.868 -0.005 0.000 0.995 57 T HN 2.524 nan 8.240 nan 0.000 0.536 58 G N -0.177 108.603 108.800 -0.032 0.000 2.514 58 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.265 58 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.265 58 G C 1.099 175.957 174.900 -0.070 0.000 1.150 58 G CA 1.314 46.388 45.100 -0.043 0.000 0.959 58 G HN 1.646 nan 8.290 nan 0.000 0.556 59 N N -0.423 118.223 118.700 -0.091 0.000 2.242 59 N HA 0.394 5.134 4.740 -0.000 0.000 0.198 59 N C 0.907 176.282 175.510 -0.225 0.000 1.042 59 N CA 2.074 55.035 53.050 -0.150 0.000 0.964 59 N CB -0.597 37.812 38.487 -0.130 0.000 1.156 59 N HN 1.612 nan 8.380 nan 0.000 0.503 60 K N -2.909 117.368 120.400 -0.204 0.000 2.598 60 K HA -0.174 4.146 4.320 -0.000 0.000 0.593 60 K C -0.705 175.807 176.600 -0.147 0.000 2.574 60 K CA 1.077 57.282 56.287 -0.137 0.000 1.992 60 K CB -1.164 31.302 32.500 -0.057 0.000 2.737 60 K HN 0.825 nan 8.250 nan 0.000 0.172 61 Y N -0.794 119.510 120.300 0.006 0.000 2.472 61 Y HA 0.006 4.556 4.550 -0.000 0.000 0.283 61 Y C 0.457 176.437 175.900 0.134 0.000 1.038 61 Y CA 0.069 58.195 58.100 0.043 0.000 1.126 61 Y CB 1.069 39.513 38.460 -0.027 0.000 1.374 61 Y HN 0.491 nan 8.280 nan 0.000 0.576 62 V N 4.317 124.366 119.914 0.224 0.000 3.972 62 V HA -0.188 3.932 4.120 -0.000 0.000 0.401 62 V C -2.604 173.517 176.094 0.044 0.000 1.430 62 V CA -0.941 61.407 62.300 0.080 0.000 1.803 62 V CB -0.051 31.781 31.823 0.015 0.000 1.686 62 V HN 0.088 nan 8.190 nan 0.000 0.457 63 P HA 0.064 nan 4.420 nan 0.000 0.269 63 P C -0.364 176.798 177.300 -0.229 0.000 1.211 63 P CA 0.060 62.806 63.100 -0.591 0.000 0.781 63 P CB 0.298 31.091 31.700 -1.510 0.000 0.877 64 R N 0.801 121.271 120.500 -0.049 0.000 2.825 64 R HA 0.556 4.896 4.340 -0.000 0.000 0.261 64 R C -0.620 175.765 176.300 0.141 0.000 1.341 64 R CA -0.081 56.048 56.100 0.049 0.000 1.353 64 R CB -0.523 29.817 30.300 0.068 0.000 1.191 64 R HN 0.528 nan 8.270 nan 0.000 0.590 65 A N 3.295 126.114 122.820 -0.002 0.000 2.414 65 A HA 0.669 4.989 4.320 -0.000 0.000 0.306 65 A C -1.089 176.366 177.584 -0.216 0.000 1.054 65 A CA -0.717 51.296 52.037 -0.041 0.000 0.724 65 A CB 1.120 20.065 19.000 -0.092 0.000 1.267 65 A HN 0.538 nan 8.150 nan 0.000 0.418 66 I N 1.257 121.657 120.570 -0.285 0.000 2.545 66 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 66 I C -1.296 174.575 176.117 -0.410 0.000 1.040 66 I CA -0.406 60.699 61.300 -0.325 0.000 1.068 66 I CB 2.081 39.945 38.000 -0.227 0.000 1.251 66 I HN 0.471 nan 8.210 nan 0.000 0.424 67 L N 7.201 128.147 121.223 -0.462 0.000 2.316 67 L HA 0.597 4.937 4.340 -0.000 0.000 0.280 67 L C -0.632 176.073 176.870 -0.274 0.000 1.006 67 L CA -0.582 54.008 54.840 -0.416 0.000 0.836 67 L CB 1.381 43.101 42.059 -0.566 0.000 1.221 67 L HN 0.187 nan 8.230 nan 0.000 0.418 68 V N 0.609 120.401 119.914 -0.204 0.000 2.435 68 V HA 0.733 4.853 4.120 -0.000 0.000 0.290 68 V C -0.704 175.334 176.094 -0.093 0.000 1.030 68 V CA -0.398 61.816 62.300 -0.144 0.000 0.881 68 V CB 1.832 33.573 31.823 -0.138 0.000 0.983 68 V HN 0.688 nan 8.190 nan 0.000 0.445 69 D N 2.081 122.448 120.400 -0.055 0.000 2.602 69 D HA 0.557 5.197 4.640 -0.000 0.000 0.236 69 D C -0.417 175.893 176.300 0.018 0.000 1.209 69 D CA -0.549 53.445 54.000 -0.009 0.000 0.831 69 D CB 2.326 43.139 40.800 0.021 0.000 1.478 69 D HN 0.359 nan 8.370 nan 0.000 0.438 70 L N 1.604 122.838 121.223 0.017 0.000 2.848 70 L HA 0.356 4.696 4.340 -0.000 0.000 0.240 70 L C -0.118 176.776 176.870 0.041 0.000 1.232 70 L CA 0.129 54.982 54.840 0.022 0.000 1.031 70 L CB -0.175 41.881 42.059 -0.005 0.000 1.338 70 L HN 0.343 nan 8.230 nan 0.000 0.509 71 E N -1.343 118.901 120.200 0.074 0.000 2.478 71 E HA 0.140 4.490 4.350 -0.000 0.000 0.293 71 E C -2.651 174.029 176.600 0.135 0.000 1.011 71 E CA -1.140 55.305 56.400 0.075 0.000 0.834 71 E CB 1.819 31.539 29.700 0.033 0.000 1.226 71 E HN -0.232 nan 8.360 nan 0.000 0.419 72 P HA -0.260 nan 4.420 nan 0.000 0.212 72 P C 1.440 178.829 177.300 0.148 0.000 1.174 72 P CA 2.594 65.782 63.100 0.147 0.000 0.934 72 P CB -0.371 31.270 31.700 -0.099 0.000 0.791 73 G N 0.045 108.882 108.800 0.061 0.000 3.135 73 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.315 73 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.315 73 G C 1.483 176.422 174.900 0.064 0.000 1.187 73 G CA 3.386 48.515 45.100 0.049 0.000 1.089 73 G HN 0.503 nan 8.290 nan 0.000 0.972 74 T N -1.420 113.174 114.554 0.067 0.000 3.113 74 T HA 0.335 4.685 4.350 -0.000 0.000 0.256 74 T C 2.250 176.997 174.700 0.079 0.000 1.131 74 T CA 1.171 63.306 62.100 0.058 0.000 1.074 74 T CB 0.092 68.981 68.868 0.034 0.000 0.944 74 T HN 0.282 nan 8.240 nan 0.000 0.516 75 M N 1.731 121.398 119.600 0.112 0.000 2.287 75 M HA 0.074 4.554 4.480 -0.000 0.000 0.266 75 M C 0.893 177.242 176.300 0.081 0.000 1.079 75 M CA 1.089 56.459 55.300 0.117 0.000 1.146 75 M CB -0.592 32.070 32.600 0.104 0.000 1.374 75 M HN 0.161 nan 8.290 nan 0.000 0.435 76 D N 0.287 120.737 120.400 0.083 0.000 2.352 76 D HA 0.031 4.671 4.640 -0.000 0.000 0.232 76 D C 1.662 177.995 176.300 0.055 0.000 1.055 76 D CA 0.369 54.392 54.000 0.038 0.000 0.891 76 D CB 0.010 40.832 40.800 0.037 0.000 0.897 76 D HN 0.148 nan 8.370 nan 0.000 0.529 77 S N -0.380 115.366 115.700 0.076 0.000 2.371 77 S HA -0.047 4.422 4.470 -0.000 0.000 0.221 77 S C 2.294 176.964 174.600 0.117 0.000 1.036 77 S CA 0.344 58.594 58.200 0.083 0.000 0.965 77 S CB 0.115 63.361 63.200 0.076 0.000 0.845 77 S HN 0.128 nan 8.310 nan 0.000 0.475 78 V N 2.243 122.246 119.914 0.148 0.000 2.220 78 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 78 V C 2.366 178.609 176.094 0.248 0.000 1.049 78 V CA 1.771 64.207 62.300 0.226 0.000 1.003 78 V CB -0.763 31.211 31.823 0.251 0.000 0.634 78 V HN 0.336 nan 8.190 nan 0.000 0.444 79 R N -0.282 120.346 120.500 0.212 0.000 2.211 79 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 79 R C 2.199 178.564 176.300 0.109 0.000 1.144 79 R CA 1.522 57.719 56.100 0.161 0.000 0.992 79 R CB -0.187 30.098 30.300 -0.024 0.000 0.869 79 R HN 0.490 nan 8.270 nan 0.000 0.462 80 S N -1.368 114.389 115.700 0.095 0.000 2.540 80 S HA 0.183 4.653 4.470 -0.000 0.000 0.218 80 S C 0.648 175.301 174.600 0.089 0.000 0.977 80 S CA 0.151 58.395 58.200 0.073 0.000 0.918 80 S CB 0.904 64.134 63.200 0.051 0.000 0.806 80 S HN 0.565 nan 8.310 nan 0.000 0.496 81 G N 2.131 111.004 108.800 0.122 0.000 2.992 81 G HA2 0.309 4.269 3.960 -0.000 0.000 0.201 81 G HA3 0.309 4.269 3.960 -0.000 0.000 0.201 81 G C -1.243 173.746 174.900 0.148 0.000 2.057 81 G CA 0.085 45.260 45.100 0.125 0.000 0.800 81 G HN 0.373 nan 8.290 nan 0.000 0.700 82 P HA 0.223 nan 4.420 nan 0.000 0.199 82 P C 0.191 177.717 177.300 0.378 0.000 1.201 82 P CA 0.285 63.512 63.100 0.212 0.000 0.880 82 P CB 0.130 31.924 31.700 0.158 0.000 0.714 83 F N 0.765 120.771 119.950 0.093 0.000 2.605 83 F HA 0.284 4.811 4.527 -0.000 0.000 0.352 83 F C 1.800 177.638 175.800 0.063 0.000 1.236 83 F CA -0.841 57.188 58.000 0.049 0.000 1.267 83 F CB 0.368 39.380 39.000 0.021 0.000 1.632 83 F HN 0.055 nan 8.300 nan 0.000 0.639 84 G N 1.448 110.358 108.800 0.183 0.000 2.662 84 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 84 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 84 G C 0.688 175.688 174.900 0.166 0.000 1.310 84 G CA 0.047 45.264 45.100 0.195 0.000 0.849 84 G HN 0.486 nan 8.290 nan 0.000 0.568 85 Q N 0.374 120.211 119.800 0.062 0.000 2.380 85 Q HA 0.381 4.721 4.340 -0.000 0.000 0.254 85 Q C 1.234 177.199 176.000 -0.058 0.000 0.927 85 Q CA -0.082 55.755 55.803 0.056 0.000 0.950 85 Q CB 0.126 28.878 28.738 0.024 0.000 1.206 85 Q HN 0.491 nan 8.270 nan 0.000 0.414 86 I N -0.580 119.874 120.570 -0.194 0.000 2.480 86 I HA 0.064 4.234 4.170 -0.000 0.000 0.251 86 I C -0.145 175.735 176.117 -0.395 0.000 1.124 86 I CA 0.267 61.320 61.300 -0.413 0.000 1.444 86 I CB 0.409 38.029 38.000 -0.635 0.000 1.098 86 I HN 0.138 nan 8.210 nan 0.000 0.428 87 F N 1.292 121.178 119.950 -0.108 0.000 2.429 87 F HA 0.308 4.835 4.527 -0.000 0.000 0.348 87 F C 0.961 176.701 175.800 -0.099 0.000 1.109 87 F CA -0.572 57.295 58.000 -0.221 0.000 1.232 87 F CB 0.041 38.779 39.000 -0.437 0.000 1.157 87 F HN -0.156 nan 8.300 nan 0.000 0.564 88 R N 4.722 125.246 120.500 0.040 0.000 2.473 88 R HA 0.026 4.366 4.340 -0.000 0.000 0.315 88 R C -1.806 174.567 176.300 0.121 0.000 0.972 88 R CA -0.824 55.306 56.100 0.050 0.000 1.047 88 R CB 0.244 30.547 30.300 0.004 0.000 0.932 88 R HN 0.311 nan 8.270 nan 0.000 0.411 89 P HA -0.237 nan 4.420 nan 0.000 0.221 89 P C -0.491 177.008 177.300 0.330 0.000 1.160 89 P CA 1.787 65.070 63.100 0.305 0.000 0.933 89 P CB 0.020 31.811 31.700 0.152 0.000 0.793 90 D N -2.029 118.462 120.400 0.153 0.000 3.110 90 D HA 0.108 4.748 4.640 -0.000 0.000 0.254 90 D C 0.070 176.377 176.300 0.012 0.000 1.283 90 D CA -0.146 53.913 54.000 0.098 0.000 0.944 90 D CB -1.330 39.510 40.800 0.066 0.000 1.066 90 D HN 0.160 nan 8.370 nan 0.000 0.496 91 N N -0.499 118.165 118.700 -0.060 0.000 2.171 91 N HA 0.187 4.927 4.740 -0.000 0.000 0.212 91 N C -0.841 174.454 175.510 -0.358 0.000 1.184 91 N CA -0.365 52.557 53.050 -0.213 0.000 0.888 91 N CB 0.437 38.757 38.487 -0.279 0.000 1.038 91 N HN 0.148 nan 8.380 nan 0.000 0.517 92 F N 1.458 121.263 119.950 -0.243 0.000 2.413 92 F HA 0.238 4.765 4.527 -0.000 0.000 0.359 92 F C 0.182 175.727 175.800 -0.424 0.000 1.122 92 F CA -0.851 56.902 58.000 -0.412 0.000 1.160 92 F CB 0.664 39.330 39.000 -0.556 0.000 1.146 92 F HN -0.236 nan 8.300 nan 0.000 0.514 93 V N 4.650 124.432 119.914 -0.219 0.000 2.304 93 V HA 0.241 4.361 4.120 -0.000 0.000 0.269 93 V C 0.181 176.193 176.094 -0.136 0.000 1.036 93 V CA -1.049 61.162 62.300 -0.149 0.000 0.840 93 V CB -0.651 31.104 31.823 -0.114 0.000 1.036 93 V HN 0.507 nan 8.190 nan 0.000 0.466 94 F N 2.253 122.218 119.950 0.025 0.000 2.480 94 F HA 0.512 5.039 4.527 -0.000 0.000 0.319 94 F C 1.640 177.433 175.800 -0.012 0.000 1.230 94 F CA 0.925 58.930 58.000 0.007 0.000 1.285 94 F CB 0.927 39.925 39.000 -0.003 0.000 1.208 94 F HN 0.549 nan 8.300 nan 0.000 0.579 95 G N -1.407 107.561 108.800 0.281 0.000 2.884 95 G HA2 0.180 4.140 3.960 -0.000 0.000 0.198 95 G HA3 0.180 4.140 3.960 -0.000 0.000 0.198 95 G C 0.444 175.385 174.900 0.068 0.000 1.083 95 G CA 0.435 45.606 45.100 0.119 0.000 0.740 95 G HN 0.552 nan 8.290 nan 0.000 0.690 96 Q N -0.051 119.778 119.800 0.048 0.000 2.306 96 Q HA -0.242 4.098 4.340 -0.000 0.000 0.179 96 Q C 1.668 177.665 176.000 -0.006 0.000 2.892 96 Q CA 1.851 57.648 55.803 -0.010 0.000 0.250 96 Q CB -1.871 26.855 28.738 -0.021 0.000 0.245 96 Q HN 0.623 nan 8.270 nan 0.000 0.415 97 S N -0.543 115.160 115.700 0.004 0.000 2.502 97 S HA 0.593 5.063 4.470 -0.000 0.000 0.251 97 S C 0.864 175.463 174.600 -0.002 0.000 1.254 97 S CA -0.425 57.775 58.200 -0.000 0.000 0.989 97 S CB -0.070 63.130 63.200 0.001 0.000 1.015 97 S HN 0.667 nan 8.310 nan 0.000 0.529 98 G N -1.422 107.375 108.800 -0.004 0.000 2.562 98 G HA2 0.529 4.489 3.960 -0.000 0.000 0.275 98 G HA3 0.529 4.489 3.960 -0.000 0.000 0.275 98 G C 0.482 175.374 174.900 -0.013 0.000 1.196 98 G CA -0.216 44.877 45.100 -0.011 0.000 0.908 98 G HN 0.846 nan 8.290 nan 0.000 0.524 99 A N -1.206 121.602 122.820 -0.020 0.000 1.995 99 A HA 0.563 4.883 4.320 -0.000 0.000 0.200 99 A C 1.893 179.457 177.584 -0.033 0.000 1.566 99 A CA 1.276 53.300 52.037 -0.020 0.000 0.895 99 A CB -0.355 18.637 19.000 -0.013 0.000 1.046 99 A HN 2.293 nan 8.150 nan 0.000 0.523 100 G N -0.697 108.071 108.800 -0.053 0.000 2.234 100 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.235 100 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.235 100 G C 0.335 175.169 174.900 -0.110 0.000 0.997 100 G CA 0.679 45.719 45.100 -0.101 0.000 0.623 100 G HN 1.031 nan 8.290 nan 0.000 0.514 101 N N 0.045 118.717 118.700 -0.047 0.000 2.727 101 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 101 N C -0.310 175.206 175.510 0.011 0.000 1.048 101 N CA 1.058 54.102 53.050 -0.010 0.000 0.714 101 N CB -0.655 37.816 38.487 -0.026 0.000 0.959 101 N HN 0.920 nan 8.380 nan 0.000 0.544 102 N N -0.515 118.196 118.700 0.018 0.000 2.371 102 N HA 0.057 4.796 4.740 -0.000 0.000 0.291 102 N C 0.245 175.862 175.510 0.179 0.000 1.053 102 N CA -0.653 52.413 53.050 0.027 0.000 0.870 102 N CB 0.736 39.112 38.487 -0.184 0.000 1.503 102 N HN 0.224 nan 8.380 nan 0.000 0.485 103 W N 4.462 125.894 121.300 0.219 0.000 2.363 103 W HA -0.011 4.649 4.660 -0.000 0.000 0.296 103 W C 1.823 178.494 176.519 0.253 0.000 1.212 103 W CA 2.545 60.041 57.345 0.252 0.000 1.260 103 W CB -0.042 29.606 29.460 0.313 0.000 1.131 103 W HN 0.782 nan 8.180 nan 0.000 0.530 104 A N 0.138 123.261 122.820 0.505 0.000 1.872 104 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 104 A C 1.940 179.654 177.584 0.217 0.000 1.187 104 A CA 1.833 54.176 52.037 0.509 0.000 0.614 104 A CB -0.805 18.548 19.000 0.588 0.000 0.826 104 A HN 0.282 nan 8.150 nan 0.000 0.442 105 K N -0.825 119.644 120.400 0.115 0.000 2.089 105 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 105 K C 1.949 178.536 176.600 -0.022 0.000 1.048 105 K CA 1.435 57.750 56.287 0.047 0.000 0.926 105 K CB -0.422 32.084 32.500 0.010 0.000 0.714 105 K HN 0.497 nan 8.250 nan 0.000 0.448 106 G N -1.261 107.488 108.800 -0.085 0.000 2.464 106 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 106 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 106 G C 1.185 175.896 174.900 -0.316 0.000 1.138 106 G CA 0.714 45.711 45.100 -0.171 0.000 0.793 106 G HN 0.367 nan 8.290 nan 0.000 0.539 107 H N -2.217 116.479 119.070 -0.624 0.000 2.553 107 H HA 0.327 4.883 4.556 -0.000 0.000 0.276 107 H C 1.576 176.457 175.328 -0.744 0.000 0.979 107 H CA 0.588 56.085 56.048 -0.917 0.000 1.268 107 H CB 0.438 29.079 29.762 -1.868 0.000 1.450 107 H HN 0.407 nan 8.280 nan 0.000 0.527 108 Y N -1.438 118.794 120.300 -0.115 0.000 2.763 108 Y HA 0.054 4.604 4.550 -0.000 0.000 0.230 108 Y C 2.575 178.446 175.900 -0.048 0.000 1.030 108 Y CA 0.733 58.811 58.100 -0.038 0.000 1.462 108 Y CB -0.076 38.425 38.460 0.069 0.000 1.299 108 Y HN 0.084 nan 8.280 nan 0.000 0.491 109 T N -0.192 114.456 114.554 0.158 0.000 2.673 109 T HA -0.090 4.260 4.350 -0.000 0.000 0.248 109 T C 1.425 176.138 174.700 0.022 0.000 1.080 109 T CA 1.249 63.398 62.100 0.081 0.000 1.203 109 T CB -0.568 68.348 68.868 0.080 0.000 0.893 109 T HN 0.176 nan 8.240 nan 0.000 0.404 110 E N 1.551 121.757 120.200 0.009 0.000 2.268 110 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 110 E C 2.375 178.951 176.600 -0.041 0.000 0.995 110 E CA 0.992 57.384 56.400 -0.012 0.000 0.836 110 E CB -0.677 29.018 29.700 -0.009 0.000 0.763 110 E HN 0.629 nan 8.360 nan 0.000 0.491 111 G N 1.988 110.745 108.800 -0.073 0.000 2.505 111 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 111 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 111 G C 1.782 176.606 174.900 -0.127 0.000 1.237 111 G CA 1.143 46.167 45.100 -0.126 0.000 0.802 111 G HN 0.375 nan 8.290 nan 0.000 0.549 112 A N 0.750 123.488 122.820 -0.136 0.000 2.084 112 A HA -0.085 4.235 4.320 -0.000 0.000 0.221 112 A C 2.092 179.633 177.584 -0.071 0.000 1.161 112 A CA 2.228 54.196 52.037 -0.116 0.000 0.653 112 A CB -0.488 18.457 19.000 -0.092 0.000 0.802 112 A HN 0.587 nan 8.150 nan 0.000 0.457 113 E N -0.788 119.382 120.200 -0.050 0.000 2.085 113 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 113 E C 1.597 178.174 176.600 -0.037 0.000 0.994 113 E CA 1.567 57.948 56.400 -0.032 0.000 0.801 113 E CB -0.186 29.503 29.700 -0.020 0.000 0.743 113 E HN 0.480 nan 8.360 nan 0.000 0.453 114 L N -0.838 120.356 121.223 -0.050 0.000 2.378 114 L HA 0.084 4.424 4.340 -0.000 0.000 0.195 114 L C 1.837 178.665 176.870 -0.070 0.000 1.287 114 L CA 1.290 56.100 54.840 -0.049 0.000 1.364 114 L CB -0.636 41.395 42.059 -0.048 0.000 1.310 114 L HN 0.193 nan 8.230 nan 0.000 0.732 115 V N -0.273 119.584 119.914 -0.095 0.000 0.607 115 V HA -0.580 3.540 4.120 -0.000 0.000 0.092 115 V C 1.975 178.005 176.094 -0.106 0.000 1.699 115 V CA 2.443 64.671 62.300 -0.120 0.000 3.351 115 V CB -1.604 30.134 31.823 -0.143 0.000 0.632 115 V HN 0.725 nan 8.190 nan 0.000 0.650 116 D N -0.449 119.899 120.400 -0.087 0.000 2.263 116 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 116 D C 2.045 178.307 176.300 -0.063 0.000 0.971 116 D CA 1.458 55.414 54.000 -0.074 0.000 0.867 116 D CB -0.100 40.665 40.800 -0.059 0.000 0.929 116 D HN 0.571 nan 8.370 nan 0.000 0.492 117 S N -0.822 114.844 115.700 -0.056 0.000 2.414 117 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 117 S C 2.118 176.682 174.600 -0.060 0.000 1.022 117 S CA 0.228 58.401 58.200 -0.045 0.000 0.958 117 S CB 0.152 63.334 63.200 -0.029 0.000 0.797 117 S HN 0.103 nan 8.310 nan 0.000 0.493 118 V N 1.817 121.683 119.914 -0.081 0.000 2.229 118 V HA -0.128 3.992 4.120 -0.000 0.000 0.243 118 V C 2.179 178.211 176.094 -0.102 0.000 1.042 118 V CA 1.312 63.550 62.300 -0.104 0.000 1.000 118 V CB -1.000 30.746 31.823 -0.127 0.000 0.637 118 V HN 0.302 nan 8.190 nan 0.000 0.446 119 L N 0.525 121.682 121.223 -0.110 0.000 2.171 119 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 119 L C 2.026 178.857 176.870 -0.066 0.000 1.084 119 L CA 2.386 57.163 54.840 -0.105 0.000 0.771 119 L CB -0.888 41.102 42.059 -0.115 0.000 0.890 119 L HN 0.410 nan 8.230 nan 0.000 0.437 120 D N -1.977 118.389 120.400 -0.056 0.000 2.149 120 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 120 D C 2.146 178.433 176.300 -0.023 0.000 0.972 120 D CA 1.161 55.141 54.000 -0.033 0.000 0.835 120 D CB 0.157 40.940 40.800 -0.030 0.000 0.966 120 D HN 0.150 nan 8.370 nan 0.000 0.476 121 V N 0.505 120.395 119.914 -0.039 0.000 2.346 121 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 121 V C 2.601 178.684 176.094 -0.018 0.000 1.037 121 V CA 1.377 63.655 62.300 -0.037 0.000 1.029 121 V CB -0.829 30.952 31.823 -0.070 0.000 0.663 121 V HN 0.231 nan 8.190 nan 0.000 0.454 122 V N 0.440 120.336 119.914 -0.030 0.000 2.287 122 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 122 V C 2.478 178.631 176.094 0.098 0.000 1.053 122 V CA 2.653 64.956 62.300 0.006 0.000 1.027 122 V CB -0.880 30.898 31.823 -0.076 0.000 0.646 122 V HN 0.477 nan 8.190 nan 0.000 0.447 123 R N 0.850 121.406 120.500 0.093 0.000 2.127 123 R HA -0.127 4.212 4.340 -0.000 0.000 0.238 123 R C 2.261 178.629 176.300 0.113 0.000 1.134 123 R CA 2.101 58.291 56.100 0.150 0.000 0.975 123 R CB -0.321 30.021 30.300 0.070 0.000 0.865 123 R HN 0.685 nan 8.270 nan 0.000 0.447 124 K N 0.311 120.748 120.400 0.062 0.000 2.374 124 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 124 K C 1.426 178.048 176.600 0.037 0.000 1.023 124 K CA 0.338 56.651 56.287 0.043 0.000 1.103 124 K CB 0.251 32.765 32.500 0.024 0.000 0.848 124 K HN 0.224 nan 8.250 nan 0.000 0.528 125 E N -0.266 119.960 120.200 0.043 0.000 2.127 125 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 125 E C 2.573 179.195 176.600 0.037 0.000 0.964 125 E CA 1.155 57.575 56.400 0.034 0.000 0.832 125 E CB 0.312 30.030 29.700 0.030 0.000 0.790 125 E HN 0.597 nan 8.360 nan 0.000 0.465 126 S N 1.362 117.102 115.700 0.067 0.000 2.414 126 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 126 S C 1.862 176.464 174.600 0.004 0.000 1.022 126 S CA 0.721 58.934 58.200 0.021 0.000 0.958 126 S CB -0.143 63.094 63.200 0.062 0.000 0.797 126 S HN 0.048 nan 8.310 nan 0.000 0.493 127 E N 0.588 120.826 120.200 0.064 0.000 2.274 127 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 127 E C 2.166 178.783 176.600 0.028 0.000 0.996 127 E CA 0.839 57.274 56.400 0.058 0.000 0.840 127 E CB 0.031 29.782 29.700 0.084 0.000 0.772 127 E HN 0.658 nan 8.360 nan 0.000 0.491 128 S N -0.024 115.690 115.700 0.022 0.000 2.356 128 S HA -0.083 4.386 4.470 -0.000 0.000 0.219 128 S C 1.099 175.701 174.600 0.003 0.000 1.036 128 S CA 0.054 58.263 58.200 0.015 0.000 0.965 128 S CB -0.271 62.941 63.200 0.019 0.000 0.864 128 S HN 0.340 nan 8.310 nan 0.000 0.471 129 C N 3.905 123.200 119.300 -0.008 0.000 1.986 129 C HA -0.063 4.396 4.460 -0.000 0.000 0.404 129 C C 1.800 176.768 174.990 -0.037 0.000 1.551 129 C CA 0.721 59.721 59.018 -0.030 0.000 1.457 129 C CB -1.078 26.624 27.740 -0.062 0.000 2.639 129 C HN 0.777 nan 8.230 nan 0.000 0.590 130 D N 2.082 122.465 120.400 -0.029 0.000 2.183 130 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 130 D C 0.743 177.020 176.300 -0.039 0.000 0.969 130 D CA 1.256 55.242 54.000 -0.024 0.000 0.842 130 D CB 0.178 40.971 40.800 -0.011 0.000 0.957 130 D HN 0.648 nan 8.370 nan 0.000 0.484 131 C N 2.231 121.496 119.300 -0.058 0.000 3.452 131 C HA 0.481 4.941 4.460 -0.000 0.000 0.251 131 C C -0.214 174.705 174.990 -0.119 0.000 1.160 131 C CA -1.126 57.847 59.018 -0.075 0.000 1.328 131 C CB -1.297 26.409 27.740 -0.057 0.000 1.819 131 C HN 0.293 nan 8.230 nan 0.000 0.543 132 L N 4.665 125.791 121.223 -0.162 0.000 2.530 132 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 132 L C 1.694 178.387 176.870 -0.295 0.000 1.141 132 L CA 0.884 55.571 54.840 -0.256 0.000 0.905 132 L CB 0.540 42.394 42.059 -0.343 0.000 1.202 132 L HN 0.847 nan 8.230 nan 0.000 0.473 133 Q N 4.698 124.331 119.800 -0.278 0.000 2.123 133 Q HA 0.267 4.607 4.340 -0.000 0.000 0.196 133 Q C 0.479 176.279 176.000 -0.333 0.000 0.958 133 Q CA 0.789 56.446 55.803 -0.244 0.000 0.841 133 Q CB 0.275 28.912 28.738 -0.169 0.000 0.915 133 Q HN 0.778 nan 8.270 nan 0.000 0.455 134 G N -0.436 108.082 108.800 -0.470 0.000 2.441 134 G HA2 0.430 4.390 3.960 -0.000 0.000 0.294 134 G HA3 0.430 4.390 3.960 -0.000 0.000 0.294 134 G C -1.690 172.791 174.900 -0.698 0.000 1.393 134 G CA -0.952 43.784 45.100 -0.606 0.000 0.796 134 G HN 0.149 nan 8.290 nan 0.000 0.494 135 F N -0.027 119.872 119.950 -0.086 0.000 2.507 135 F HA 0.713 5.240 4.527 -0.000 0.000 0.327 135 F C 0.501 176.280 175.800 -0.035 0.000 1.068 135 F CA -0.851 57.113 58.000 -0.061 0.000 0.965 135 F CB 2.122 41.099 39.000 -0.038 0.000 1.192 135 F HN 0.614 nan 8.300 nan 0.000 0.476 136 Q N 1.729 121.647 119.800 0.198 0.000 2.387 136 Q HA 0.829 5.169 4.340 -0.000 0.000 0.273 136 Q C -1.791 174.352 176.000 0.238 0.000 1.089 136 Q CA -1.205 54.692 55.803 0.157 0.000 0.824 136 Q CB 2.956 31.773 28.738 0.133 0.000 1.367 136 Q HN 0.723 nan 8.270 nan 0.000 0.443 137 L N 0.393 121.733 121.223 0.195 0.000 2.409 137 L HA 0.775 5.115 4.340 -0.000 0.000 0.262 137 L C -1.292 175.764 176.870 0.311 0.000 0.992 137 L CA -0.054 54.896 54.840 0.184 0.000 0.817 137 L CB 2.786 44.846 42.059 0.002 0.000 1.350 137 L HN 0.941 nan 8.230 nan 0.000 0.411 138 T N 0.190 114.929 114.554 0.307 0.000 2.863 138 T HA 0.913 5.263 4.350 -0.000 0.000 0.285 138 T C -0.853 174.090 174.700 0.404 0.000 1.009 138 T CA -0.337 61.988 62.100 0.376 0.000 0.989 138 T CB 1.226 70.249 68.868 0.260 0.000 1.004 138 T HN 1.210 nan 8.240 nan 0.000 0.455 139 H N -0.582 118.566 119.070 0.129 0.000 2.915 139 H HA 0.338 4.894 4.556 -0.000 0.000 0.263 139 H C -0.984 174.412 175.328 0.113 0.000 1.373 139 H CA -0.719 55.386 56.048 0.095 0.000 1.354 139 H CB 0.010 29.818 29.762 0.077 0.000 1.866 139 H HN 0.842 nan 8.280 nan 0.000 0.479 140 S N 0.420 116.111 115.700 -0.016 0.000 2.600 140 S HA 0.348 4.818 4.470 -0.000 0.000 0.265 140 S C 0.729 175.290 174.600 -0.064 0.000 1.325 140 S CA -0.471 57.703 58.200 -0.044 0.000 1.002 140 S CB 1.404 64.622 63.200 0.030 0.000 0.921 140 S HN 0.488 nan 8.310 nan 0.000 0.554 141 L N 0.483 121.704 121.223 -0.004 0.000 2.749 141 L HA 0.414 4.754 4.340 -0.000 0.000 0.242 141 L C 1.094 178.032 176.870 0.113 0.000 1.103 141 L CA 0.591 55.464 54.840 0.055 0.000 0.906 141 L CB 0.050 42.131 42.059 0.038 0.000 1.228 141 L HN 0.950 nan 8.230 nan 0.000 0.517 142 G N -0.559 108.300 108.800 0.099 0.000 2.468 142 G HA2 0.543 4.502 3.960 -0.000 0.000 0.320 142 G HA3 0.543 4.502 3.960 -0.000 0.000 0.320 142 G C -0.286 174.685 174.900 0.118 0.000 1.137 142 G CA 0.012 45.180 45.100 0.114 0.000 0.984 142 G HN 0.330 nan 8.290 nan 0.000 0.462 143 G N 0.276 109.173 108.800 0.162 0.000 2.931 143 G HA2 0.393 4.353 3.960 -0.000 0.000 0.675 143 G HA3 0.393 4.353 3.960 -0.000 0.000 0.675 143 G C 0.735 175.728 174.900 0.155 0.000 1.339 143 G CA -0.122 45.056 45.100 0.131 0.000 0.866 143 G HN 1.173 nan 8.290 nan 0.000 0.616 144 G N 0.184 109.055 108.800 0.119 0.000 2.394 144 G HA2 0.148 4.108 3.960 -0.000 0.000 0.214 144 G HA3 0.148 4.108 3.960 -0.000 0.000 0.214 144 G C 2.129 177.049 174.900 0.034 0.000 1.176 144 G CA 2.378 47.536 45.100 0.097 0.000 0.786 144 G HN 2.006 nan 8.290 nan 0.000 0.533 145 T N -0.828 113.739 114.554 0.023 0.000 2.833 145 T HA 0.110 4.460 4.350 -0.000 0.000 0.269 145 T C 2.287 176.993 174.700 0.011 0.000 1.054 145 T CA 1.948 64.044 62.100 -0.006 0.000 1.135 145 T CB -0.366 68.500 68.868 -0.004 0.000 0.869 145 T HN 0.223 nan 8.240 nan 0.000 0.466 146 G N 1.166 110.013 108.800 0.079 0.000 2.508 146 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 146 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 146 G C 2.017 177.088 174.900 0.284 0.000 1.206 146 G CA 0.950 46.151 45.100 0.169 0.000 0.822 146 G HN 0.671 nan 8.290 nan 0.000 0.550 147 S N 0.703 116.601 115.700 0.330 0.000 2.368 147 S HA 0.063 4.533 4.470 -0.000 0.000 0.225 147 S C 2.410 177.211 174.600 0.335 0.000 1.030 147 S CA 1.796 60.257 58.200 0.435 0.000 0.999 147 S CB -0.743 62.696 63.200 0.399 0.000 0.844 147 S HN 0.454 nan 8.310 nan 0.000 0.459 148 G N 0.913 109.719 108.800 0.011 0.000 2.408 148 G HA2 0.071 4.031 3.960 -0.000 0.000 0.213 148 G HA3 0.071 4.031 3.960 -0.000 0.000 0.213 148 G C 1.544 176.238 174.900 -0.343 0.000 1.177 148 G CA 0.622 45.348 45.100 -0.622 0.000 0.802 148 G HN 0.384 nan 8.290 nan 0.000 0.533 149 M N 0.916 120.388 119.600 -0.213 0.000 2.099 149 M HA -0.011 4.469 4.480 -0.000 0.000 0.262 149 M C 2.792 178.984 176.300 -0.180 0.000 1.067 149 M CA 1.617 56.789 55.300 -0.214 0.000 1.124 149 M CB -0.655 31.851 32.600 -0.156 0.000 1.353 149 M HN 0.313 nan 8.290 nan 0.000 0.410 150 G N -0.289 108.432 108.800 -0.133 0.000 2.422 150 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 150 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 150 G C 1.377 176.201 174.900 -0.126 0.000 1.146 150 G CA 1.544 46.522 45.100 -0.203 0.000 0.769 150 G HN 0.555 nan 8.290 nan 0.000 0.547 151 T N 0.311 114.884 114.554 0.032 0.000 2.867 151 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 151 T C 2.224 177.016 174.700 0.153 0.000 1.057 151 T CA 1.113 63.317 62.100 0.173 0.000 1.136 151 T CB -0.196 68.899 68.868 0.379 0.000 0.874 151 T HN 0.111 nan 8.240 nan 0.000 0.466 152 L N 1.187 122.409 121.223 -0.001 0.000 1.988 152 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 152 L C 2.338 179.084 176.870 -0.208 0.000 1.071 152 L CA 1.334 55.978 54.840 -0.327 0.000 0.744 152 L CB -1.246 40.367 42.059 -0.742 0.000 0.893 152 L HN 0.238 nan 8.230 nan 0.000 0.433 153 L N -0.238 120.865 121.223 -0.200 0.000 2.011 153 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 153 L C 2.640 179.416 176.870 -0.157 0.000 1.084 153 L CA 2.575 57.302 54.840 -0.188 0.000 0.791 153 L CB -0.702 41.239 42.059 -0.198 0.000 0.898 153 L HN 0.560 nan 8.230 nan 0.000 0.440 154 I N -3.476 117.026 120.570 -0.115 0.000 2.264 154 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 154 I C 2.426 178.525 176.117 -0.031 0.000 1.111 154 I CA 1.826 63.086 61.300 -0.067 0.000 1.382 154 I CB -0.506 37.481 38.000 -0.020 0.000 1.060 154 I HN 0.101 nan 8.210 nan 0.000 0.418 155 S N 0.824 116.515 115.700 -0.015 0.000 2.402 155 S HA -0.057 4.413 4.470 -0.000 0.000 0.229 155 S C 1.932 176.507 174.600 -0.042 0.000 1.021 155 S CA 1.146 59.349 58.200 0.004 0.000 0.974 155 S CB -0.208 63.014 63.200 0.037 0.000 0.800 155 S HN 0.490 nan 8.310 nan 0.000 0.484 156 K N 0.394 120.738 120.400 -0.093 0.000 2.284 156 K HA 0.219 4.539 4.320 -0.000 0.000 0.198 156 K C 1.748 178.261 176.600 -0.145 0.000 1.048 156 K CA 0.168 56.382 56.287 -0.121 0.000 0.987 156 K CB -0.022 32.387 32.500 -0.151 0.000 0.800 156 K HN 0.271 nan 8.250 nan 0.000 0.486 157 I N 1.339 121.822 120.570 -0.145 0.000 2.252 157 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 157 I C 1.526 177.633 176.117 -0.016 0.000 1.102 157 I CA 1.057 62.262 61.300 -0.159 0.000 1.385 157 I CB -0.369 37.476 38.000 -0.258 0.000 1.064 157 I HN 0.138 nan 8.210 nan 0.000 0.414 158 R N 0.361 120.875 120.500 0.023 0.000 2.896 158 R HA -0.057 4.282 4.340 -0.000 0.000 0.283 158 R C 1.345 177.642 176.300 -0.006 0.000 1.201 158 R CA 0.517 56.654 56.100 0.063 0.000 1.178 158 R CB 0.094 30.430 30.300 0.060 0.000 1.152 158 R HN 0.245 nan 8.270 nan 0.000 0.590 159 E N -0.496 119.707 120.200 0.006 0.000 5.003 159 E HA -0.345 4.005 4.350 -0.000 0.000 0.166 159 E C 1.016 177.570 176.600 -0.077 0.000 1.244 159 E CA 1.918 58.301 56.400 -0.028 0.000 2.281 159 E CB -0.926 28.749 29.700 -0.042 0.000 1.825 159 E HN 0.695 nan 8.360 nan 0.000 0.420 160 E N -0.724 119.374 120.200 -0.170 0.000 2.086 160 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 160 E C 0.087 176.467 176.600 -0.365 0.000 0.975 160 E CA 1.045 57.217 56.400 -0.380 0.000 0.813 160 E CB 0.287 29.587 29.700 -0.666 0.000 0.768 160 E HN 0.456 nan 8.360 nan 0.000 0.457 161 Y N 0.245 120.592 120.300 0.078 0.000 2.705 161 Y HA 0.180 4.730 4.550 -0.000 0.000 0.355 161 Y C -1.888 174.071 175.900 0.098 0.000 1.039 161 Y CA -2.003 56.171 58.100 0.124 0.000 1.233 161 Y CB 1.440 40.075 38.460 0.291 0.000 1.103 161 Y HN 0.075 nan 8.280 nan 0.000 0.624 162 P HA -0.099 nan 4.420 nan 0.000 0.203 162 P C 0.618 177.981 177.300 0.106 0.000 1.211 162 P CA 1.221 64.390 63.100 0.114 0.000 0.913 162 P CB 0.660 32.404 31.700 0.074 0.000 0.745 163 D N -1.537 118.911 120.400 0.081 0.000 4.459 163 D HA -0.208 4.432 4.640 -0.000 0.000 0.291 163 D C 0.329 176.647 176.300 0.030 0.000 0.894 163 D CA 1.918 55.957 54.000 0.065 0.000 1.847 163 D CB -0.826 40.038 40.800 0.107 0.000 1.062 163 D HN 0.196 nan 8.370 nan 0.000 0.481 164 R N 0.402 120.923 120.500 0.036 0.000 2.668 164 R HA 0.606 4.946 4.340 -0.000 0.000 0.279 164 R C 0.245 176.533 176.300 -0.020 0.000 0.976 164 R CA -0.900 55.165 56.100 -0.059 0.000 0.978 164 R CB 0.634 30.801 30.300 -0.222 0.000 1.133 164 R HN 0.520 nan 8.270 nan 0.000 0.484 165 I N -0.918 119.608 120.570 -0.073 0.000 2.396 165 I HA 0.354 4.523 4.170 -0.000 0.000 0.292 165 I C -0.019 176.093 176.117 -0.009 0.000 0.999 165 I CA -0.471 60.810 61.300 -0.033 0.000 1.310 165 I CB 1.019 38.994 38.000 -0.042 0.000 1.404 165 I HN 0.206 nan 8.210 nan 0.000 0.496 166 M N 4.945 124.558 119.600 0.021 0.000 2.471 166 M HA 0.515 4.995 4.480 -0.000 0.000 0.309 166 M C -0.915 175.364 176.300 -0.034 0.000 1.186 166 M CA -0.270 55.061 55.300 0.052 0.000 1.008 166 M CB 1.345 33.979 32.600 0.057 0.000 1.551 166 M HN 0.800 nan 8.290 nan 0.000 0.477 167 N N 0.372 119.058 118.700 -0.023 0.000 2.864 167 N HA 0.272 5.012 4.740 -0.000 0.000 0.247 167 N C -1.704 173.747 175.510 -0.099 0.000 1.071 167 N CA -0.169 52.834 53.050 -0.078 0.000 1.056 167 N CB 1.815 40.275 38.487 -0.046 0.000 1.661 167 N HN 0.719 nan 8.380 nan 0.000 0.570 168 T N -0.538 113.919 114.554 -0.161 0.000 2.933 168 T HA 0.675 5.025 4.350 -0.000 0.000 0.305 168 T C -1.111 173.454 174.700 -0.225 0.000 1.092 168 T CA -0.547 61.499 62.100 -0.089 0.000 1.008 168 T CB 0.566 69.526 68.868 0.153 0.000 1.102 168 T HN 0.129 nan 8.240 nan 0.000 0.469 169 F N 2.237 122.305 119.950 0.196 0.000 2.371 169 F HA 0.593 5.120 4.527 -0.000 0.000 0.363 169 F C 0.787 176.680 175.800 0.155 0.000 1.122 169 F CA -0.625 57.481 58.000 0.176 0.000 1.129 169 F CB 1.194 40.239 39.000 0.074 0.000 1.173 169 F HN 0.620 nan 8.300 nan 0.000 0.489 170 S N 1.927 117.756 115.700 0.216 0.000 2.532 170 S HA 0.694 5.164 4.470 -0.000 0.000 0.301 170 S C -0.607 174.024 174.600 0.052 0.000 1.083 170 S CA -0.944 57.251 58.200 -0.008 0.000 1.025 170 S CB 2.093 65.267 63.200 -0.042 0.000 1.056 170 S HN 0.285 nan 8.310 nan 0.000 0.494 171 V N 2.732 122.636 119.914 -0.017 0.000 2.257 171 V HA 0.293 4.413 4.120 -0.000 0.000 0.269 171 V C -0.325 175.802 176.094 0.054 0.000 1.040 171 V CA -0.581 61.753 62.300 0.055 0.000 0.813 171 V CB 0.113 31.974 31.823 0.065 0.000 1.065 171 V HN 0.826 nan 8.190 nan 0.000 0.457 172 M N 8.435 128.084 119.600 0.081 0.000 2.327 172 M HA 0.208 4.688 4.480 -0.000 0.000 0.353 172 M C -2.138 174.207 176.300 0.074 0.000 1.539 172 M CA -1.210 54.140 55.300 0.084 0.000 1.039 172 M CB 0.112 32.769 32.600 0.096 0.000 1.967 172 M HN 0.313 nan 8.290 nan 0.000 0.459 173 P HA 0.247 nan 4.420 nan 0.000 0.281 173 P C -1.023 176.306 177.300 0.047 0.000 1.249 173 P CA -0.628 62.511 63.100 0.065 0.000 0.810 173 P CB 1.278 33.016 31.700 0.063 0.000 1.008 174 S N 2.040 117.764 115.700 0.039 0.000 2.593 174 S HA 0.498 4.968 4.470 -0.000 0.000 0.297 174 S C -1.548 173.048 174.600 -0.006 0.000 1.112 174 S CA -1.910 56.298 58.200 0.013 0.000 1.043 174 S CB 0.758 63.960 63.200 0.004 0.000 1.054 174 S HN 0.222 nan 8.310 nan 0.000 0.516 175 P HA -0.116 nan 4.420 nan 0.000 0.216 175 P C -0.342 176.927 177.300 -0.051 0.000 1.153 175 P CA 1.378 64.457 63.100 -0.035 0.000 0.858 175 P CB -0.337 31.343 31.700 -0.033 0.000 0.789 176 K N -0.080 120.277 120.400 -0.071 0.000 2.201 176 K HA 0.448 4.768 4.320 -0.000 0.000 0.278 176 K C -0.242 176.261 176.600 -0.162 0.000 1.027 176 K CA -0.939 55.273 56.287 -0.125 0.000 0.909 176 K CB 1.384 33.787 32.500 -0.161 0.000 1.062 176 K HN -0.259 nan 8.250 nan 0.000 0.465 177 V N 1.274 121.084 119.914 -0.174 0.000 6.244 177 V HA -0.244 3.876 4.120 -0.000 0.000 0.295 177 V C -0.715 175.359 176.094 -0.033 0.000 0.550 177 V CA 1.194 63.401 62.300 -0.155 0.000 0.756 177 V CB -2.174 29.481 31.823 -0.280 0.000 0.665 177 V HN 1.156 nan 8.190 nan 0.000 0.592 178 S N 0.320 116.023 115.700 0.005 0.000 2.643 178 S HA 0.796 5.266 4.470 -0.000 0.000 0.270 178 S C 0.161 174.796 174.600 0.059 0.000 1.166 178 S CA -0.042 58.199 58.200 0.068 0.000 0.815 178 S CB 2.340 65.568 63.200 0.047 0.000 1.139 178 S HN 0.360 nan 8.310 nan 0.000 0.472 179 D N 0.683 121.126 120.400 0.071 0.000 2.431 179 D HA 0.185 4.825 4.640 -0.000 0.000 0.235 179 D C 0.238 176.552 176.300 0.023 0.000 0.980 179 D CA 0.737 54.771 54.000 0.056 0.000 0.912 179 D CB -0.758 40.083 40.800 0.070 0.000 1.056 179 D HN 0.556 nan 8.370 nan 0.000 0.494 180 T N 1.450 116.010 114.554 0.010 0.000 2.771 180 T HA 0.319 4.669 4.350 -0.000 0.000 0.281 180 T C 1.706 176.365 174.700 -0.069 0.000 0.982 180 T CA -0.631 61.459 62.100 -0.017 0.000 0.978 180 T CB 2.616 71.481 68.868 -0.005 0.000 0.930 180 T HN -0.181 nan 8.240 nan 0.000 0.447 181 V N 3.139 122.980 119.914 -0.121 0.000 2.439 181 V HA -0.197 3.923 4.120 -0.000 0.000 0.253 181 V C 2.602 178.459 176.094 -0.395 0.000 1.074 181 V CA 2.231 64.352 62.300 -0.298 0.000 1.076 181 V CB -1.311 30.213 31.823 -0.499 0.000 0.664 181 V HN 0.881 nan 8.190 nan 0.000 0.461 182 V N -1.731 118.026 119.914 -0.261 0.000 3.052 182 V HA -0.038 4.082 4.120 -0.000 0.000 0.254 182 V C 2.088 178.126 176.094 -0.093 0.000 1.100 182 V CA 1.345 63.514 62.300 -0.219 0.000 1.112 182 V CB -0.562 31.342 31.823 0.135 0.000 0.738 182 V HN 0.527 nan 8.190 nan 0.000 0.469 183 E N 1.834 122.023 120.200 -0.019 0.000 2.217 183 E HA -0.252 4.098 4.350 -0.000 0.000 0.219 183 E C -0.098 176.540 176.600 0.063 0.000 1.070 183 E CA 2.542 58.971 56.400 0.048 0.000 0.889 183 E CB -1.839 27.881 29.700 0.034 0.000 0.768 183 E HN 0.582 nan 8.360 nan 0.000 0.465 184 P HA -0.254 nan 4.420 nan 0.000 0.217 184 P C 1.056 178.532 177.300 0.293 0.000 1.158 184 P CA 1.764 64.932 63.100 0.114 0.000 0.887 184 P CB -0.314 31.420 31.700 0.056 0.000 0.792 185 Y N -0.109 120.274 120.300 0.139 0.000 2.089 185 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 185 Y C 2.675 178.490 175.900 -0.141 0.000 1.139 185 Y CA 0.499 58.620 58.100 0.034 0.000 1.123 185 Y CB -0.881 37.547 38.460 -0.053 0.000 0.980 185 Y HN -0.015 nan 8.280 nan 0.000 0.493 186 N N 0.405 119.229 118.700 0.207 0.000 2.094 186 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 186 N C 1.842 177.333 175.510 -0.032 0.000 1.023 186 N CA 1.390 54.532 53.050 0.154 0.000 0.857 186 N CB -0.481 38.173 38.487 0.279 0.000 1.013 186 N HN 0.371 nan 8.380 nan 0.000 0.426 187 A N 0.702 123.514 122.820 -0.013 0.000 1.855 187 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 187 A C 2.335 179.795 177.584 -0.206 0.000 1.191 187 A CA 2.020 54.026 52.037 -0.051 0.000 0.613 187 A CB -1.122 17.877 19.000 -0.001 0.000 0.829 187 A HN 0.344 nan 8.150 nan 0.000 0.442 188 T N 0.506 114.873 114.554 -0.312 0.000 2.849 188 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 188 T C 1.677 176.012 174.700 -0.609 0.000 1.066 188 T CA 1.437 63.211 62.100 -0.543 0.000 1.130 188 T CB -0.337 67.952 68.868 -0.966 0.000 0.864 188 T HN 0.312 nan 8.240 nan 0.000 0.481 189 L N 0.829 121.619 121.223 -0.721 0.000 2.179 189 L HA -0.014 4.325 4.340 -0.000 0.000 0.208 189 L C 2.639 179.016 176.870 -0.822 0.000 1.096 189 L CA 0.880 55.085 54.840 -1.059 0.000 0.779 189 L CB -0.236 40.767 42.059 -1.760 0.000 0.922 189 L HN 0.274 nan 8.230 nan 0.000 0.443 190 S N -1.566 113.875 115.700 -0.432 0.000 2.441 190 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 190 S C 1.954 176.567 174.600 0.022 0.000 1.043 190 S CA 0.217 58.423 58.200 0.011 0.000 0.948 190 S CB -0.202 63.155 63.200 0.261 0.000 0.810 190 S HN 0.073 nan 8.310 nan 0.000 0.504 191 V N 3.304 123.163 119.914 -0.092 0.000 2.231 191 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 191 V C 2.635 178.637 176.094 -0.153 0.000 1.058 191 V CA 2.407 64.613 62.300 -0.157 0.000 1.022 191 V CB -0.873 30.721 31.823 -0.381 0.000 0.640 191 V HN 0.607 nan 8.190 nan 0.000 0.445 192 H N 0.109 118.986 119.070 -0.322 0.000 2.265 192 H HA -0.280 4.276 4.556 -0.000 0.000 0.293 192 H C 2.360 177.614 175.328 -0.124 0.000 1.089 192 H CA 2.863 58.749 56.048 -0.271 0.000 1.244 192 H CB -0.399 29.165 29.762 -0.330 0.000 1.355 192 H HN 0.444 nan 8.280 nan 0.000 0.485 193 Q N 0.279 120.212 119.800 0.221 0.000 2.077 193 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 193 Q C 2.965 179.088 176.000 0.206 0.000 0.989 193 Q CA 1.941 57.886 55.803 0.236 0.000 0.853 193 Q CB -0.392 28.478 28.738 0.221 0.000 0.907 193 Q HN 0.532 nan 8.270 nan 0.000 0.418 194 L N -1.147 120.201 121.223 0.209 0.000 1.976 194 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 194 L C 2.223 179.280 176.870 0.311 0.000 1.071 194 L CA 1.128 56.128 54.840 0.266 0.000 0.746 194 L CB -0.724 41.547 42.059 0.354 0.000 0.890 194 L HN 0.159 nan 8.230 nan 0.000 0.432 195 V N 0.134 120.213 119.914 0.274 0.000 3.099 195 V HA -0.241 3.879 4.120 -0.000 0.000 0.269 195 V C 1.840 178.014 176.094 0.134 0.000 1.150 195 V CA 1.842 64.256 62.300 0.190 0.000 1.165 195 V CB -0.523 31.248 31.823 -0.087 0.000 0.756 195 V HN 0.547 nan 8.190 nan 0.000 0.527 196 E N -1.689 118.593 120.200 0.136 0.000 2.514 196 E HA 0.133 4.483 4.350 -0.000 0.000 0.215 196 E C 0.819 177.494 176.600 0.126 0.000 0.946 196 E CA -0.002 56.462 56.400 0.106 0.000 1.038 196 E CB 0.151 29.886 29.700 0.058 0.000 1.069 196 E HN 0.599 nan 8.360 nan 0.000 0.503 197 N N 1.231 120.016 118.700 0.143 0.000 2.239 197 N HA 0.024 4.764 4.740 -0.000 0.000 0.208 197 N C 0.563 176.101 175.510 0.047 0.000 1.200 197 N CA 0.496 53.604 53.050 0.097 0.000 0.895 197 N CB 1.292 39.838 38.487 0.099 0.000 1.085 197 N HN 0.102 nan 8.380 nan 0.000 0.500 198 T N -1.578 112.985 114.554 0.015 0.000 2.897 198 T HA 0.404 4.754 4.350 -0.000 0.000 0.278 198 T C 0.313 174.706 174.700 -0.511 0.000 0.981 198 T CA -0.341 61.648 62.100 -0.184 0.000 0.973 198 T CB 2.100 70.855 68.868 -0.189 0.000 1.092 198 T HN -0.219 nan 8.240 nan 0.000 0.543 199 D N -0.245 119.820 120.400 -0.559 0.000 2.473 199 D HA 0.176 4.816 4.640 -0.000 0.000 0.230 199 D C 0.061 175.993 176.300 -0.612 0.000 1.097 199 D CA 0.305 53.993 54.000 -0.520 0.000 0.861 199 D CB 0.870 41.555 40.800 -0.192 0.000 1.114 199 D HN 0.761 nan 8.370 nan 0.000 0.500 200 E N -0.358 119.490 120.200 -0.586 0.000 2.366 200 E HA 0.510 4.860 4.350 -0.000 0.000 0.278 200 E C -1.121 175.143 176.600 -0.560 0.000 0.923 200 E CA -0.644 55.409 56.400 -0.579 0.000 0.761 200 E CB 2.288 31.960 29.700 -0.047 0.000 1.231 200 E HN -0.301 nan 8.360 nan 0.000 0.443 201 T N 1.782 115.871 114.554 -0.774 0.000 3.176 201 T HA 0.209 4.559 4.350 -0.000 0.000 0.337 201 T C -1.341 173.088 174.700 -0.451 0.000 0.957 201 T CA -0.646 61.154 62.100 -0.502 0.000 1.092 201 T CB -0.138 68.411 68.868 -0.533 0.000 1.018 201 T HN 0.276 nan 8.240 nan 0.000 0.473 202 Y N 1.915 122.096 120.300 -0.197 0.000 2.605 202 Y HA 0.227 4.777 4.550 -0.000 0.000 0.336 202 Y C 1.312 177.270 175.900 0.096 0.000 1.111 202 Y CA -0.216 57.898 58.100 0.022 0.000 1.422 202 Y CB 0.023 38.568 38.460 0.141 0.000 1.193 202 Y HN 0.408 nan 8.280 nan 0.000 0.526 203 S N 4.980 120.788 115.700 0.180 0.000 2.537 203 S HA 0.599 5.069 4.470 -0.000 0.000 0.275 203 S C -0.307 174.402 174.600 0.181 0.000 1.272 203 S CA -0.523 57.785 58.200 0.180 0.000 1.050 203 S CB 0.370 63.645 63.200 0.125 0.000 0.961 203 S HN 0.466 nan 8.310 nan 0.000 0.496 204 I N 2.370 123.038 120.570 0.164 0.000 2.503 204 I HA 0.239 4.409 4.170 -0.000 0.000 0.282 204 I C -0.501 175.686 176.117 0.116 0.000 1.059 204 I CA -0.340 61.049 61.300 0.150 0.000 1.081 204 I CB 1.606 39.708 38.000 0.170 0.000 1.210 204 I HN 0.462 nan 8.210 nan 0.000 0.450 205 D N 4.653 125.112 120.400 0.099 0.000 2.256 205 D HA 0.194 4.834 4.640 -0.000 0.000 0.250 205 D C 0.513 176.873 176.300 0.101 0.000 1.093 205 D CA 0.028 54.079 54.000 0.086 0.000 0.882 205 D CB 1.520 42.358 40.800 0.064 0.000 1.185 205 D HN 0.494 nan 8.370 nan 0.000 0.437 206 N N 2.000 120.762 118.700 0.103 0.000 2.446 206 N HA -0.126 4.614 4.740 -0.000 0.000 0.179 206 N C 1.260 176.840 175.510 0.117 0.000 1.054 206 N CA 0.275 53.398 53.050 0.121 0.000 0.905 206 N CB 0.479 39.046 38.487 0.133 0.000 0.973 206 N HN 0.556 nan 8.380 nan 0.000 0.448 207 E N 1.551 121.802 120.200 0.085 0.000 2.106 207 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 207 E C 1.838 178.512 176.600 0.124 0.000 0.984 207 E CA 1.097 57.545 56.400 0.079 0.000 0.806 207 E CB 0.020 29.746 29.700 0.043 0.000 0.750 207 E HN 0.261 nan 8.360 nan 0.000 0.458 208 A N 0.529 123.414 122.820 0.109 0.000 1.832 208 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 208 A C 2.051 179.714 177.584 0.131 0.000 1.204 208 A CA 1.192 53.295 52.037 0.111 0.000 0.606 208 A CB -0.888 18.169 19.000 0.095 0.000 0.849 208 A HN 0.330 nan 8.150 nan 0.000 0.445 209 L N -1.358 119.942 121.223 0.127 0.000 2.051 209 L HA -0.218 4.122 4.340 -0.000 0.000 0.214 209 L C 2.401 179.345 176.870 0.123 0.000 1.076 209 L CA 2.212 57.119 54.840 0.112 0.000 0.758 209 L CB -1.472 40.656 42.059 0.114 0.000 0.890 209 L HN 0.656 nan 8.230 nan 0.000 0.433 210 Y N -0.150 120.174 120.300 0.041 0.000 2.314 210 Y HA -0.168 4.382 4.550 -0.000 0.000 0.293 210 Y C 2.342 178.289 175.900 0.078 0.000 1.129 210 Y CA 1.474 59.598 58.100 0.040 0.000 1.201 210 Y CB -0.097 38.379 38.460 0.026 0.000 0.999 210 Y HN 0.250 nan 8.280 nan 0.000 0.541 211 D N -0.002 120.557 120.400 0.265 0.000 2.149 211 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 211 D C 1.939 178.290 176.300 0.083 0.000 0.972 211 D CA 0.925 55.044 54.000 0.199 0.000 0.835 211 D CB 0.018 40.928 40.800 0.184 0.000 0.966 211 D HN 0.340 nan 8.370 nan 0.000 0.476 212 I N 0.715 121.324 120.570 0.065 0.000 2.657 212 I HA -0.231 3.939 4.170 -0.000 0.000 0.261 212 I C 2.134 178.253 176.117 0.003 0.000 1.212 212 I CA 0.669 61.992 61.300 0.039 0.000 1.453 212 I CB -0.340 37.686 38.000 0.043 0.000 1.092 212 I HN 0.095 nan 8.210 nan 0.000 0.452 213 C N -1.961 117.308 119.300 -0.053 0.000 2.609 213 C HA 0.121 4.581 4.460 -0.000 0.000 0.305 213 C C 2.331 177.275 174.990 -0.076 0.000 1.319 213 C CA -0.297 58.653 59.018 -0.112 0.000 1.793 213 C CB -0.485 27.116 27.740 -0.231 0.000 2.260 213 C HN 0.429 nan 8.230 nan 0.000 0.535 214 F N 2.414 122.211 119.950 -0.256 0.000 2.622 214 F HA 0.173 4.700 4.527 -0.000 0.000 0.288 214 F C 2.356 178.111 175.800 -0.076 0.000 1.120 214 F CA 0.484 58.369 58.000 -0.192 0.000 1.423 214 F CB -0.303 38.538 39.000 -0.265 0.000 1.127 214 F HN 0.215 nan 8.300 nan 0.000 0.588 215 R N -1.315 119.261 120.500 0.126 0.000 2.173 215 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 215 R C 0.772 177.106 176.300 0.056 0.000 1.035 215 R CA 1.671 57.802 56.100 0.051 0.000 1.004 215 R CB -0.883 29.432 30.300 0.025 0.000 0.917 215 R HN 0.120 nan 8.270 nan 0.000 0.462 216 T N -0.900 113.688 114.554 0.058 0.000 3.084 216 T HA 0.371 4.721 4.350 -0.000 0.000 0.270 216 T C 0.914 175.634 174.700 0.033 0.000 1.008 216 T CA -0.292 61.832 62.100 0.040 0.000 0.900 216 T CB 0.546 69.435 68.868 0.035 0.000 1.084 216 T HN 0.124 nan 8.240 nan 0.000 0.538 217 L N -0.195 121.052 121.223 0.039 0.000 3.689 217 L HA 0.335 4.675 4.340 -0.000 0.000 0.344 217 L C 0.824 177.699 176.870 0.007 0.000 1.221 217 L CA -0.028 54.820 54.840 0.014 0.000 1.171 217 L CB 0.486 42.539 42.059 -0.011 0.000 1.540 217 L HN 0.154 nan 8.230 nan 0.000 0.631 218 K N 1.407 121.834 120.400 0.045 0.000 3.490 218 K HA -0.181 4.139 4.320 -0.000 0.000 0.273 218 K C -0.588 175.971 176.600 -0.069 0.000 0.916 218 K CA 1.686 57.992 56.287 0.032 0.000 0.718 218 K CB -3.055 29.468 32.500 0.039 0.000 1.477 218 K HN 0.433 nan 8.250 nan 0.000 0.452 219 L N 0.806 121.920 121.223 -0.182 0.000 2.388 219 L HA 0.364 4.704 4.340 -0.000 0.000 0.267 219 L C 1.660 178.212 176.870 -0.530 0.000 0.995 219 L CA -1.030 53.653 54.840 -0.262 0.000 0.864 219 L CB 1.549 43.494 42.059 -0.190 0.000 1.216 219 L HN 0.311 nan 8.230 nan 0.000 0.430 220 T N 0.216 114.480 114.554 -0.484 0.000 2.555 220 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 220 T C 0.900 175.311 174.700 -0.481 0.000 1.083 220 T CA 1.721 63.458 62.100 -0.605 0.000 1.179 220 T CB -0.122 68.587 68.868 -0.265 0.000 0.863 220 T HN 0.605 nan 8.240 nan 0.000 0.412 221 T N 3.982 118.385 114.554 -0.252 0.000 3.316 221 T HA 0.376 4.726 4.350 -0.000 0.000 0.341 221 T C -2.561 172.062 174.700 -0.128 0.000 1.397 221 T CA -1.101 60.915 62.100 -0.139 0.000 1.085 221 T CB 0.590 69.412 68.868 -0.077 0.000 1.160 221 T HN 0.174 nan 8.240 nan 0.000 0.694 222 P HA 0.251 nan 4.420 nan 0.000 0.276 222 P C 0.426 177.683 177.300 -0.072 0.000 1.264 222 P CA -0.255 62.770 63.100 -0.125 0.000 0.769 222 P CB 0.375 31.964 31.700 -0.185 0.000 0.840 223 T N 1.580 116.100 114.554 -0.057 0.000 2.715 223 T HA 0.025 4.375 4.350 -0.000 0.000 0.320 223 T C 0.840 175.494 174.700 -0.077 0.000 1.046 223 T CA 0.149 62.230 62.100 -0.031 0.000 0.983 223 T CB 0.129 69.013 68.868 0.027 0.000 1.183 223 T HN 0.309 nan 8.240 nan 0.000 0.522 224 Y N -0.063 120.270 120.300 0.054 0.000 2.529 224 Y HA 0.172 4.722 4.550 -0.000 0.000 0.290 224 Y C 2.161 178.092 175.900 0.051 0.000 1.177 224 Y CA -0.180 57.955 58.100 0.059 0.000 1.305 224 Y CB -0.239 38.254 38.460 0.056 0.000 1.047 224 Y HN 0.786 nan 8.280 nan 0.000 0.522 225 G N 0.268 109.160 108.800 0.154 0.000 2.629 225 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.213 225 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.213 225 G C -0.119 174.833 174.900 0.087 0.000 1.425 225 G CA 0.154 45.313 45.100 0.099 0.000 0.929 225 G HN 0.310 nan 8.290 nan 0.000 0.527 226 D N 0.859 121.290 120.400 0.052 0.000 2.479 226 D HA 0.230 4.870 4.640 -0.000 0.000 0.253 226 D C 0.459 176.801 176.300 0.071 0.000 1.278 226 D CA 0.173 54.222 54.000 0.081 0.000 1.145 226 D CB 1.045 41.870 40.800 0.042 0.000 1.118 226 D HN 0.304 nan 8.370 nan 0.000 0.513 227 L N 0.817 122.103 121.223 0.105 0.000 1.433 227 L HA -0.097 4.243 4.340 -0.000 0.000 0.146 227 L C 0.776 177.713 176.870 0.112 0.000 1.334 227 L CA 0.128 55.018 54.840 0.083 0.000 1.267 227 L CB -0.668 41.434 42.059 0.072 0.000 2.547 227 L HN 0.103 nan 8.230 nan 0.000 0.476 228 N N 0.152 118.938 118.700 0.144 0.000 2.188 228 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 228 N C 1.481 177.059 175.510 0.113 0.000 1.018 228 N CA 1.806 54.934 53.050 0.129 0.000 0.858 228 N CB -0.371 38.197 38.487 0.135 0.000 0.989 228 N HN 0.653 nan 8.380 nan 0.000 0.426 229 H N 0.218 119.285 119.070 -0.005 0.000 2.394 229 H HA -0.139 4.417 4.556 -0.000 0.000 0.297 229 H C 1.542 176.811 175.328 -0.098 0.000 1.113 229 H CA 0.887 56.908 56.048 -0.045 0.000 1.277 229 H CB 0.354 30.094 29.762 -0.036 0.000 1.370 229 H HN 0.026 nan 8.280 nan 0.000 0.506 230 L N 0.297 121.451 121.223 -0.114 0.000 1.988 230 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 230 L C 2.916 179.640 176.870 -0.244 0.000 1.071 230 L CA 1.033 55.726 54.840 -0.245 0.000 0.744 230 L CB -1.357 40.627 42.059 -0.126 0.000 0.893 230 L HN 0.227 nan 8.230 nan 0.000 0.433 231 V N 0.083 119.930 119.914 -0.113 0.000 2.282 231 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 231 V C 2.753 178.749 176.094 -0.163 0.000 1.057 231 V CA 1.877 64.115 62.300 -0.103 0.000 1.032 231 V CB -1.530 30.282 31.823 -0.017 0.000 0.645 231 V HN 0.633 nan 8.190 nan 0.000 0.447 232 S N 1.819 117.454 115.700 -0.108 0.000 2.372 232 S HA -0.281 4.189 4.470 -0.000 0.000 0.227 232 S C 2.089 176.546 174.600 -0.237 0.000 1.044 232 S CA 1.959 60.094 58.200 -0.108 0.000 1.050 232 S CB -0.800 62.394 63.200 -0.010 0.000 0.901 232 S HN 0.731 nan 8.310 nan 0.000 0.447 233 A N 1.613 124.230 122.820 -0.340 0.000 1.873 233 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 233 A C 2.503 179.689 177.584 -0.663 0.000 1.186 233 A CA 2.015 53.728 52.037 -0.541 0.000 0.616 233 A CB -1.634 16.880 19.000 -0.811 0.000 0.823 233 A HN 0.618 nan 8.150 nan 0.000 0.442 234 T N -0.147 114.010 114.554 -0.662 0.000 2.867 234 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 234 T C 1.906 176.470 174.700 -0.226 0.000 1.057 234 T CA 1.569 63.413 62.100 -0.427 0.000 1.136 234 T CB -0.259 68.463 68.868 -0.244 0.000 0.874 234 T HN 0.386 nan 8.240 nan 0.000 0.466 235 M N 0.748 120.169 119.600 -0.297 0.000 2.132 235 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 235 M C 2.721 178.880 176.300 -0.236 0.000 1.065 235 M CA 0.980 56.073 55.300 -0.345 0.000 1.122 235 M CB -0.268 32.110 32.600 -0.371 0.000 1.365 235 M HN 0.219 nan 8.290 nan 0.000 0.411 236 S N 0.167 115.689 115.700 -0.296 0.000 2.368 236 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 236 S C 1.883 176.422 174.600 -0.101 0.000 1.030 236 S CA 1.634 59.659 58.200 -0.293 0.000 0.999 236 S CB -0.673 62.367 63.200 -0.267 0.000 0.844 236 S HN 0.624 nan 8.310 nan 0.000 0.459 237 G N 1.126 109.919 108.800 -0.011 0.000 2.586 237 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 237 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 237 G C 1.495 176.439 174.900 0.074 0.000 1.216 237 G CA 1.362 46.539 45.100 0.128 0.000 0.786 237 G HN 0.470 nan 8.290 nan 0.000 0.583 238 V N 1.876 121.816 119.914 0.044 0.000 2.392 238 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 238 V C 3.320 179.451 176.094 0.062 0.000 1.059 238 V CA 2.565 64.892 62.300 0.046 0.000 1.051 238 V CB -1.119 30.689 31.823 -0.025 0.000 0.658 238 V HN 0.690 nan 8.190 nan 0.000 0.455 239 T N -1.227 113.354 114.554 0.045 0.000 2.737 239 T HA -0.248 4.102 4.350 -0.000 0.000 0.265 239 T C 1.994 176.742 174.700 0.079 0.000 1.038 239 T CA 2.038 64.178 62.100 0.067 0.000 1.144 239 T CB -1.168 67.666 68.868 -0.056 0.000 0.866 239 T HN 0.657 nan 8.240 nan 0.000 0.434 240 T N 2.279 116.882 114.554 0.081 0.000 2.582 240 T HA -0.386 3.964 4.350 -0.000 0.000 0.246 240 T C 2.099 176.919 174.700 0.199 0.000 1.236 240 T CA 2.275 64.491 62.100 0.193 0.000 1.125 240 T CB -2.173 66.809 68.868 0.190 0.000 0.837 240 T HN 0.829 nan 8.240 nan 0.000 0.458 241 C N 2.430 121.818 119.300 0.146 0.000 2.576 241 C HA 0.557 5.017 4.460 -0.000 0.000 0.267 241 C C 2.462 177.518 174.990 0.110 0.000 1.364 241 C CA -0.442 58.655 59.018 0.132 0.000 1.723 241 C CB -2.008 25.790 27.740 0.097 0.000 1.778 241 C HN 0.705 nan 8.230 nan 0.000 0.572 242 L N 0.558 121.852 121.223 0.117 0.000 2.375 242 L HA 0.159 4.499 4.340 -0.000 0.000 0.215 242 L C 2.293 179.232 176.870 0.116 0.000 1.108 242 L CA 0.571 55.478 54.840 0.112 0.000 0.830 242 L CB -0.736 41.399 42.059 0.126 0.000 0.959 242 L HN 0.407 nan 8.230 nan 0.000 0.457 243 R N -2.022 118.536 120.500 0.098 0.000 2.633 243 R HA 0.402 4.742 4.340 -0.000 0.000 0.348 243 R C 0.143 176.296 176.300 -0.245 0.000 1.100 243 R CA -0.108 55.984 56.100 -0.014 0.000 1.068 243 R CB 0.045 30.316 30.300 -0.048 0.000 1.351 243 R HN 0.216 nan 8.270 nan 0.000 0.575 244 F N 0.065 120.031 119.950 0.026 0.000 1.837 244 F HA 0.282 4.808 4.527 -0.000 0.000 0.229 244 F C -1.280 174.501 175.800 -0.031 0.000 1.246 244 F CA -0.638 57.341 58.000 -0.036 0.000 1.302 244 F CB 0.241 39.204 39.000 -0.061 0.000 1.918 244 F HN -0.095 nan 8.300 nan 0.000 0.224 245 P HA 0.295 nan 4.420 nan 0.000 0.194 245 P C 0.390 177.734 177.300 0.072 0.000 1.105 245 P CA 1.769 64.930 63.100 0.103 0.000 0.797 245 P CB 0.550 32.285 31.700 0.059 0.000 0.687 246 G N -1.446 107.386 108.800 0.053 0.000 2.834 246 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 246 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 246 G C 0.674 175.587 174.900 0.022 0.000 0.974 246 G CA 0.462 45.583 45.100 0.035 0.000 0.826 246 G HN 0.480 nan 8.290 nan 0.000 0.584 247 Q N -0.004 119.808 119.800 0.021 0.000 2.408 247 Q HA 0.544 4.884 4.340 -0.000 0.000 0.205 247 Q C 1.499 177.506 176.000 0.012 0.000 0.919 247 Q CA 0.203 56.012 55.803 0.010 0.000 0.932 247 Q CB 0.456 29.195 28.738 0.002 0.000 1.058 247 Q HN 0.495 nan 8.270 nan 0.000 0.517 248 L N 0.203 121.439 121.223 0.023 0.000 2.793 248 L HA 0.352 4.692 4.340 -0.000 0.000 0.188 248 L C 0.246 177.128 176.870 0.021 0.000 1.949 248 L CA 0.267 55.120 54.840 0.022 0.000 2.556 248 L CB 0.743 42.822 42.059 0.034 0.000 2.898 248 L HN 0.492 nan 8.230 nan 0.000 0.621 249 N N -1.169 117.544 118.700 0.022 0.000 1.837 249 N HA -0.007 4.733 4.740 -0.000 0.000 0.228 249 N C -0.227 175.297 175.510 0.023 0.000 1.442 249 N CA 0.501 53.565 53.050 0.024 0.000 0.706 249 N CB 0.355 38.853 38.487 0.018 0.000 1.030 249 N HN 0.581 nan 8.380 nan 0.000 0.553 250 A N 0.745 123.578 122.820 0.021 0.000 2.546 250 A HA -0.177 4.143 4.320 -0.000 0.000 0.295 250 A C 0.502 178.097 177.584 0.018 0.000 1.455 250 A CA 0.839 52.892 52.037 0.025 0.000 0.730 250 A CB -2.442 16.583 19.000 0.043 0.000 1.111 250 A HN 0.418 nan 8.150 nan 0.000 0.411 251 D N -0.897 119.507 120.400 0.007 0.000 2.354 251 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 251 D C 1.551 177.843 176.300 -0.013 0.000 0.970 251 D CA 1.609 55.605 54.000 -0.006 0.000 0.905 251 D CB -0.025 40.770 40.800 -0.009 0.000 0.903 251 D HN 1.502 nan 8.370 nan 0.000 0.508 252 L N -1.387 119.837 121.223 0.002 0.000 3.271 252 L HA -0.419 3.921 4.340 -0.000 0.000 0.385 252 L C 1.582 178.452 176.870 0.000 0.000 0.696 252 L CA 2.596 57.438 54.840 0.004 0.000 3.118 252 L CB -1.159 40.886 42.059 -0.022 0.000 0.639 252 L HN 0.126 nan 8.230 nan 0.000 0.752 253 R N -0.033 120.459 120.500 -0.013 0.000 2.061 253 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 253 R C 2.131 178.433 176.300 0.003 0.000 1.140 253 R CA 2.089 58.185 56.100 -0.008 0.000 0.940 253 R CB -0.275 30.016 30.300 -0.016 0.000 0.839 253 R HN 0.475 nan 8.270 nan 0.000 0.429 254 K N -0.023 120.378 120.400 0.002 0.000 2.015 254 K HA -0.191 4.129 4.320 -0.000 0.000 0.216 254 K C 1.943 178.547 176.600 0.007 0.000 1.052 254 K CA 1.987 58.276 56.287 0.004 0.000 0.937 254 K CB -0.421 32.081 32.500 0.003 0.000 0.719 254 K HN 0.052 nan 8.250 nan 0.000 0.446 255 L N 0.366 121.595 121.223 0.011 0.000 2.103 255 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 255 L C 2.175 179.055 176.870 0.017 0.000 1.080 255 L CA 2.201 57.049 54.840 0.012 0.000 0.764 255 L CB -1.021 41.054 42.059 0.028 0.000 0.890 255 L HN 0.305 nan 8.230 nan 0.000 0.435 256 A N -1.658 121.183 122.820 0.035 0.000 1.835 256 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 256 A C 2.340 179.954 177.584 0.051 0.000 1.210 256 A CA 1.320 53.395 52.037 0.063 0.000 0.605 256 A CB -1.063 17.965 19.000 0.047 0.000 0.860 256 A HN 0.124 nan 8.150 nan 0.000 0.447 257 V N 0.975 120.907 119.914 0.030 0.000 2.311 257 V HA -0.365 3.755 4.120 -0.000 0.000 0.256 257 V C 1.945 178.047 176.094 0.013 0.000 1.077 257 V CA 2.586 64.899 62.300 0.022 0.000 1.067 257 V CB -0.970 30.861 31.823 0.014 0.000 0.659 257 V HN 0.696 nan 8.190 nan 0.000 0.451 258 N N -1.874 116.828 118.700 0.004 0.000 2.336 258 N HA 0.071 4.811 4.740 -0.000 0.000 0.189 258 N C 1.301 176.797 175.510 -0.023 0.000 1.113 258 N CA 0.118 53.161 53.050 -0.012 0.000 0.858 258 N CB 0.220 38.699 38.487 -0.015 0.000 0.970 258 N HN 0.277 nan 8.380 nan 0.000 0.471 259 M N -0.002 119.594 119.600 -0.006 0.000 2.538 259 M HA 0.207 4.687 4.480 -0.000 0.000 0.259 259 M C -0.411 175.957 176.300 0.113 0.000 1.217 259 M CA 0.548 55.835 55.300 -0.021 0.000 1.131 259 M CB 0.674 33.194 32.600 -0.134 0.000 1.382 259 M HN -0.204 nan 8.290 nan 0.000 0.520 260 V N -0.087 119.897 119.914 0.117 0.000 2.378 260 V HA 0.408 4.528 4.120 -0.000 0.000 0.288 260 V C -1.646 174.446 176.094 -0.003 0.000 1.016 260 V CA -1.187 61.189 62.300 0.128 0.000 0.840 260 V CB 0.957 32.888 31.823 0.181 0.000 0.994 260 V HN 0.067 nan 8.190 nan 0.000 0.431 261 P HA 0.106 nan 4.420 nan 0.000 0.214 261 P C 0.042 177.036 177.300 -0.511 0.000 1.162 261 P CA 0.920 63.729 63.100 -0.486 0.000 0.871 261 P CB 0.307 31.519 31.700 -0.813 0.000 0.783 262 F N -0.901 119.129 119.950 0.133 0.000 2.507 262 F HA 0.368 4.895 4.527 -0.000 0.000 0.325 262 F C -1.563 174.321 175.800 0.140 0.000 1.116 262 F CA -2.716 55.364 58.000 0.134 0.000 0.930 262 F CB 1.837 40.933 39.000 0.161 0.000 1.146 262 F HN -0.248 nan 8.300 nan 0.000 0.447 263 P HA -0.071 nan 4.420 nan 0.000 0.218 263 P C 0.464 177.897 177.300 0.222 0.000 1.149 263 P CA 1.325 64.559 63.100 0.224 0.000 0.817 263 P CB 0.205 32.007 31.700 0.170 0.000 0.785 264 R N 0.091 120.684 120.500 0.154 0.000 2.915 264 R HA 0.194 4.534 4.340 -0.000 0.000 0.148 264 R C 0.543 176.848 176.300 0.008 0.000 0.743 264 R CA -0.315 55.805 56.100 0.033 0.000 1.502 264 R CB -1.416 28.858 30.300 -0.044 0.000 0.627 264 R HN -0.066 nan 8.270 nan 0.000 0.563 265 L N -0.258 120.952 121.223 -0.020 0.000 4.035 265 L HA -0.188 4.152 4.340 -0.000 0.000 0.490 265 L C -0.647 176.388 176.870 0.275 0.000 1.163 265 L CA 0.664 55.650 54.840 0.243 0.000 0.680 265 L CB -1.971 40.270 42.059 0.304 0.000 1.409 265 L HN 0.663 nan 8.230 nan 0.000 0.786 266 H N -1.477 117.682 119.070 0.147 0.000 2.421 266 H HA 0.623 5.179 4.556 -0.000 0.000 0.241 266 H C -0.644 174.029 175.328 -1.091 0.000 1.428 266 H CA -1.305 54.455 56.048 -0.480 0.000 1.136 266 H CB -0.367 29.061 29.762 -0.557 0.000 1.612 266 H HN 0.367 nan 8.280 nan 0.000 0.537 267 F N 1.858 121.603 119.950 -0.342 0.000 2.389 267 F HA 0.304 4.831 4.527 -0.000 0.000 0.327 267 F C -0.521 175.112 175.800 -0.279 0.000 1.204 267 F CA -1.235 56.592 58.000 -0.288 0.000 1.209 267 F CB -0.118 38.875 39.000 -0.011 0.000 1.460 267 F HN 0.235 nan 8.300 nan 0.000 0.537 268 F N 3.138 122.967 119.950 -0.203 0.000 2.519 268 F HA 0.127 4.654 4.527 -0.000 0.000 0.375 268 F C 0.892 176.592 175.800 -0.167 0.000 1.084 268 F CA -0.832 57.003 58.000 -0.275 0.000 1.147 268 F CB 0.043 38.725 39.000 -0.530 0.000 1.088 268 F HN 0.227 nan 8.300 nan 0.000 0.555 269 M N 4.733 124.367 119.600 0.056 0.000 2.188 269 M HA 0.473 4.953 4.480 -0.000 0.000 0.354 269 M C -2.872 173.456 176.300 0.047 0.000 1.342 269 M CA -1.584 53.755 55.300 0.066 0.000 1.117 269 M CB 0.284 32.910 32.600 0.043 0.000 1.670 269 M HN 0.147 nan 8.290 nan 0.000 0.466 270 P HA 0.879 nan 4.420 nan 0.000 0.304 270 P C -0.564 176.888 177.300 0.253 0.000 1.310 270 P CA -0.570 62.616 63.100 0.144 0.000 0.796 270 P CB 1.533 33.395 31.700 0.270 0.000 1.297 271 G N -1.842 107.143 108.800 0.309 0.000 2.547 271 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 -2.343 172.766 174.900 0.347 0.000 1.471 271 G CA -0.214 45.085 45.100 0.332 0.000 0.798 271 G HN 0.323 nan 8.290 nan 0.000 0.504 272 F N 0.063 120.032 119.950 0.031 0.000 2.631 272 F HA 0.798 5.325 4.527 -0.000 0.000 0.328 272 F C 1.051 176.807 175.800 -0.074 0.000 1.067 272 F CA 0.028 58.007 58.000 -0.034 0.000 0.969 272 F CB 2.193 41.164 39.000 -0.048 0.000 1.332 272 F HN 0.764 nan 8.300 nan 0.000 0.490 273 A N 1.995 124.378 122.820 -0.728 0.000 2.172 273 A HA 0.391 4.711 4.320 -0.000 0.000 0.215 273 A C -2.188 175.258 177.584 -0.229 0.000 1.610 273 A CA 0.354 52.089 52.037 -0.503 0.000 0.606 273 A CB -1.554 17.044 19.000 -0.670 0.000 1.182 273 A HN 0.518 nan 8.150 nan 0.000 0.499 274 P HA 0.620 nan 4.420 nan 0.000 0.281 274 P C -1.398 175.963 177.300 0.101 0.000 1.281 274 P CA -0.351 62.729 63.100 -0.034 0.000 0.811 274 P CB 0.788 32.460 31.700 -0.048 0.000 1.154 275 L N -1.240 120.019 121.223 0.061 0.000 2.455 275 L HA 0.687 5.027 4.340 -0.000 0.000 0.264 275 L C 0.246 177.121 176.870 0.009 0.000 0.968 275 L CA -0.344 54.522 54.840 0.044 0.000 0.827 275 L CB 1.525 43.606 42.059 0.037 0.000 1.317 275 L HN 0.529 nan 8.230 nan 0.000 0.407 276 T N 0.000 114.525 114.554 -0.048 0.000 1.218 276 T HA -0.108 4.242 4.350 -0.000 0.000 0.700 276 T C -0.173 174.647 174.700 0.200 0.000 1.001 276 T CA 0.369 62.496 62.100 0.045 0.000 3.707 276 T CB -0.647 68.258 68.868 0.062 0.000 2.358 276 T HN 0.921 nan 8.240 nan 0.000 0.373 287 T N -0.870 113.678 114.554 -0.010 0.000 2.955 287 T HA 0.422 4.772 4.350 -0.000 0.000 0.251 287 T C 0.995 175.707 174.700 0.021 0.000 1.002 287 T CA 0.963 63.065 62.100 0.003 0.000 0.970 287 T CB 0.610 69.479 68.868 0.001 0.000 1.091 287 T HN 0.558 nan 8.240 nan 0.000 0.495 288 V N -0.351 119.588 119.914 0.041 0.000 0.530 288 V HA -0.191 3.929 4.120 -0.000 0.000 0.092 288 V C -1.520 174.631 176.094 0.094 0.000 2.175 288 V CA 0.782 63.141 62.300 0.099 0.000 3.543 288 V CB -2.383 29.488 31.823 0.080 0.000 0.834 288 V HN 0.224 nan 8.190 nan 0.000 0.871 289 P HA -0.150 nan 4.420 nan 0.000 0.212 289 P C 1.303 178.627 177.300 0.040 0.000 1.178 289 P CA 2.329 65.457 63.100 0.046 0.000 0.915 289 P CB -0.035 31.678 31.700 0.022 0.000 0.788 290 E N -1.568 118.644 120.200 0.019 0.000 2.516 290 E HA -0.074 4.276 4.350 -0.000 0.000 0.199 290 E C 1.704 178.294 176.600 -0.016 0.000 1.069 290 E CA 0.043 56.445 56.400 0.003 0.000 0.876 290 E CB -0.469 29.229 29.700 -0.003 0.000 0.843 290 E HN 0.126 nan 8.360 nan 0.000 0.530 291 L N -0.521 120.694 121.223 -0.014 0.000 2.168 291 L HA -0.038 4.302 4.340 -0.000 0.000 0.203 291 L C 2.073 178.893 176.870 -0.084 0.000 1.078 291 L CA 1.160 55.954 54.840 -0.076 0.000 0.780 291 L CB 0.082 42.093 42.059 -0.079 0.000 0.939 291 L HN 0.011 nan 8.230 nan 0.000 0.451 292 T N -0.425 114.147 114.554 0.030 0.000 2.770 292 T HA -0.164 4.186 4.350 -0.000 0.000 0.258 292 T C 1.178 175.947 174.700 0.115 0.000 1.039 292 T CA 1.270 63.429 62.100 0.099 0.000 1.143 292 T CB -0.318 68.699 68.868 0.249 0.000 0.866 292 T HN 0.433 nan 8.240 nan 0.000 0.428 293 Q N 1.279 121.138 119.800 0.097 0.000 2.319 293 Q HA 0.166 4.506 4.340 -0.000 0.000 0.217 293 Q C 1.439 177.464 176.000 0.041 0.000 0.924 293 Q CA 0.281 56.138 55.803 0.090 0.000 0.964 293 Q CB -0.159 28.613 28.738 0.056 0.000 1.025 293 Q HN 0.477 nan 8.270 nan 0.000 0.465 294 Q N 0.221 120.017 119.800 -0.006 0.000 2.360 294 Q HA 0.127 4.467 4.340 -0.000 0.000 0.261 294 Q C 1.493 177.432 176.000 -0.101 0.000 0.802 294 Q CA 0.045 55.820 55.803 -0.046 0.000 0.983 294 Q CB 0.383 29.081 28.738 -0.067 0.000 1.211 294 Q HN 0.483 nan 8.270 nan 0.000 0.523 295 M N -0.660 118.818 119.600 -0.203 0.000 2.495 295 M HA 0.260 4.740 4.480 -0.000 0.000 0.237 295 M C -0.559 175.364 176.300 -0.629 0.000 1.131 295 M CA 0.781 55.875 55.300 -0.344 0.000 1.032 295 M CB 0.285 32.628 32.600 -0.427 0.000 1.513 295 M HN 0.228 nan 8.290 nan 0.000 0.488 296 F N 0.535 120.319 119.950 -0.277 0.000 2.698 296 F HA 0.290 4.817 4.527 -0.000 0.000 0.304 296 F C -0.007 175.700 175.800 -0.155 0.000 1.108 296 F CA -0.943 56.865 58.000 -0.320 0.000 1.263 296 F CB 0.503 39.360 39.000 -0.238 0.000 1.013 296 F HN 0.136 nan 8.300 nan 0.000 0.532 297 D N 0.028 120.454 120.400 0.042 0.000 2.163 297 D HA 0.366 5.005 4.640 -0.000 0.000 0.248 297 D C 1.149 177.481 176.300 0.053 0.000 1.035 297 D CA 0.457 54.487 54.000 0.051 0.000 0.872 297 D CB 1.967 42.788 40.800 0.035 0.000 1.183 297 D HN 0.188 nan 8.370 nan 0.000 0.445 298 S N 3.633 119.374 115.700 0.068 0.000 2.356 298 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 298 S C 1.568 176.212 174.600 0.072 0.000 1.032 298 S CA 0.970 59.216 58.200 0.077 0.000 1.005 298 S CB -0.432 62.807 63.200 0.065 0.000 0.867 298 S HN 0.547 nan 8.310 nan 0.000 0.449 299 K N 0.910 121.344 120.400 0.058 0.000 2.678 299 K HA -0.096 4.224 4.320 -0.000 0.000 0.195 299 K C 0.033 176.668 176.600 0.058 0.000 1.034 299 K CA 0.503 56.822 56.287 0.053 0.000 0.946 299 K CB -0.201 32.323 32.500 0.041 0.000 0.785 299 K HN 0.377 nan 8.250 nan 0.000 0.492 300 N N -0.251 118.491 118.700 0.070 0.000 2.162 300 N HA 0.054 4.794 4.740 -0.000 0.000 0.232 300 N C -0.997 174.588 175.510 0.125 0.000 1.361 300 N CA -0.123 52.976 53.050 0.081 0.000 0.786 300 N CB 0.484 39.001 38.487 0.050 0.000 1.290 300 N HN -0.006 nan 8.380 nan 0.000 0.505 301 M N 0.505 120.188 119.600 0.138 0.000 2.359 301 M HA 0.343 4.823 4.480 -0.000 0.000 0.322 301 M C 1.552 177.946 176.300 0.155 0.000 1.166 301 M CA -0.224 55.190 55.300 0.190 0.000 1.067 301 M CB 0.809 33.523 32.600 0.190 0.000 1.523 301 M HN -0.096 nan 8.290 nan 0.000 0.467 302 M N 0.441 120.142 119.600 0.170 0.000 2.435 302 M HA 0.179 4.659 4.480 -0.000 0.000 0.265 302 M C 0.704 177.075 176.300 0.119 0.000 1.104 302 M CA 0.351 55.735 55.300 0.141 0.000 1.140 302 M CB -0.846 31.848 32.600 0.157 0.000 1.372 302 M HN 0.723 nan 8.290 nan 0.000 0.456 303 A N 0.589 123.472 122.820 0.106 0.000 2.304 303 A HA 0.650 4.970 4.320 -0.000 0.000 0.271 303 A C 0.216 177.830 177.584 0.051 0.000 1.091 303 A CA -0.307 51.767 52.037 0.063 0.000 0.812 303 A CB 0.221 19.232 19.000 0.020 0.000 1.056 303 A HN 0.373 nan 8.150 nan 0.000 0.489 304 A N 0.979 123.817 122.820 0.030 0.000 2.807 304 A HA 0.501 4.821 4.320 -0.000 0.000 0.307 304 A C 0.220 177.796 177.584 -0.014 0.000 1.532 304 A CA -0.281 51.769 52.037 0.023 0.000 1.215 304 A CB -1.297 17.718 19.000 0.026 0.000 1.127 304 A HN 0.798 nan 8.150 nan 0.000 0.543 305 C N 0.147 119.441 119.300 -0.009 0.000 3.704 305 C HA 0.793 5.253 4.460 -0.000 0.000 0.338 305 C C -0.430 174.560 174.990 -0.000 0.000 3.585 305 C CA -0.198 58.794 59.018 -0.044 0.000 1.633 305 C CB 1.710 29.407 27.740 -0.072 0.000 4.025 305 C HN 0.789 nan 8.230 nan 0.000 0.531 306 D N 0.011 120.418 120.400 0.011 0.000 2.333 306 D HA 0.241 4.881 4.640 -0.000 0.000 0.225 306 D C -2.405 173.914 176.300 0.032 0.000 1.345 306 D CA -0.834 53.213 54.000 0.078 0.000 0.971 306 D CB 1.095 42.024 40.800 0.216 0.000 1.451 306 D HN 0.141 nan 8.370 nan 0.000 0.561 307 P HA -0.034 nan 4.420 nan 0.000 0.296 307 P C 0.720 177.868 177.300 -0.254 0.000 1.447 307 P CA 0.129 63.099 63.100 -0.218 0.000 0.750 307 P CB 0.348 31.966 31.700 -0.137 0.000 1.451 308 R N -0.035 120.333 120.500 -0.221 0.000 2.015 308 R HA 0.068 4.408 4.340 -0.000 0.000 0.212 308 R C 1.312 177.238 176.300 -0.623 0.000 1.304 308 R CA 0.710 56.516 56.100 -0.490 0.000 1.040 308 R CB -1.537 28.533 30.300 -0.383 0.000 0.915 308 R HN 0.511 nan 8.270 nan 0.000 0.465 309 H N 0.665 119.533 119.070 -0.337 0.000 3.524 309 H HA 0.395 4.951 4.556 -0.000 0.000 0.242 309 H C 0.046 175.225 175.328 -0.249 0.000 1.328 309 H CA 0.248 56.150 56.048 -0.243 0.000 1.534 309 H CB -0.871 28.819 29.762 -0.119 0.000 1.689 309 H HN 0.447 nan 8.280 nan 0.000 0.537 310 G N 2.531 111.219 108.800 -0.187 0.000 2.873 310 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.507 310 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.507 310 G C -0.885 173.827 174.900 -0.314 0.000 1.440 310 G CA -1.251 43.732 45.100 -0.196 0.000 1.016 310 G HN 0.565 nan 8.290 nan 0.000 0.615 311 R N 0.775 121.183 120.500 -0.153 0.000 2.540 311 R HA 0.570 4.910 4.340 -0.000 0.000 0.287 311 R C -0.670 175.579 176.300 -0.085 0.000 0.980 311 R CA -0.822 55.244 56.100 -0.055 0.000 0.966 311 R CB 1.307 31.702 30.300 0.157 0.000 1.106 311 R HN 0.505 nan 8.270 nan 0.000 0.480 312 Y N 2.119 122.320 120.300 -0.166 0.000 2.402 312 Y HA -0.053 4.497 4.550 -0.000 0.000 0.333 312 Y C 1.355 177.229 175.900 -0.043 0.000 1.076 312 Y CA -0.114 57.924 58.100 -0.104 0.000 1.299 312 Y CB 0.432 38.793 38.460 -0.165 0.000 1.197 312 Y HN 0.431 nan 8.280 nan 0.000 0.517 313 L N 1.862 123.140 121.223 0.092 0.000 1.950 313 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 313 L C 0.971 177.850 176.870 0.015 0.000 1.079 313 L CA 1.717 56.555 54.840 -0.004 0.000 0.754 313 L CB -0.732 41.351 42.059 0.039 0.000 0.889 313 L HN 0.766 nan 8.230 nan 0.000 0.433 314 T N -2.924 111.680 114.554 0.084 0.000 2.916 314 T HA 0.657 5.007 4.350 -0.000 0.000 0.292 314 T C -0.614 174.183 174.700 0.163 0.000 1.055 314 T CA -0.647 61.505 62.100 0.087 0.000 1.009 314 T CB 2.634 71.507 68.868 0.008 0.000 1.118 314 T HN -0.098 nan 8.240 nan 0.000 0.497 315 V N 0.716 120.734 119.914 0.174 0.000 2.655 315 V HA 0.734 4.854 4.120 -0.000 0.000 0.301 315 V C -0.483 175.700 176.094 0.149 0.000 1.082 315 V CA -0.775 61.673 62.300 0.247 0.000 0.899 315 V CB 1.537 33.678 31.823 0.531 0.000 1.014 315 V HN 1.404 nan 8.190 nan 0.000 0.429 316 A N 3.991 126.833 122.820 0.037 0.000 2.337 316 A HA 1.029 5.349 4.320 -0.000 0.000 0.329 316 A C -0.233 177.411 177.584 0.099 0.000 1.146 316 A CA -0.088 51.974 52.037 0.042 0.000 0.800 316 A CB 1.752 20.723 19.000 -0.048 0.000 1.220 316 A HN 1.541 nan 8.150 nan 0.000 0.472 317 A N 0.699 123.609 122.820 0.151 0.000 2.435 317 A HA 0.767 5.087 4.320 -0.000 0.000 0.304 317 A C -0.760 176.937 177.584 0.189 0.000 1.064 317 A CA -0.225 51.908 52.037 0.159 0.000 0.727 317 A CB 1.577 20.690 19.000 0.189 0.000 1.284 317 A HN 2.256 nan 8.150 nan 0.000 0.415 318 V N 1.079 121.068 119.914 0.124 0.000 2.531 318 V HA 0.863 4.983 4.120 -0.000 0.000 0.301 318 V C -1.707 174.446 176.094 0.099 0.000 1.034 318 V CA -0.701 61.696 62.300 0.161 0.000 0.865 318 V CB 0.966 32.847 31.823 0.097 0.000 0.995 318 V HN 0.666 nan 8.190 nan 0.000 0.424 319 F N 4.863 124.783 119.950 -0.050 0.000 2.425 319 F HA 0.784 5.311 4.527 -0.000 0.000 0.331 319 F C 0.604 176.355 175.800 -0.081 0.000 1.085 319 F CA -0.610 57.344 58.000 -0.077 0.000 1.028 319 F CB 2.044 41.004 39.000 -0.067 0.000 1.177 319 F HN 0.450 nan 8.300 nan 0.000 0.487 320 R N 1.074 121.596 120.500 0.038 0.000 2.500 320 R HA 0.663 5.003 4.340 -0.000 0.000 0.299 320 R C -1.036 175.245 176.300 -0.032 0.000 1.038 320 R CA -0.699 55.386 56.100 -0.025 0.000 0.903 320 R CB 1.722 31.978 30.300 -0.073 0.000 1.177 320 R HN 0.903 nan 8.270 nan 0.000 0.455 321 G N 0.310 109.093 108.800 -0.029 0.000 2.282 321 G HA2 0.232 4.192 3.960 -0.000 0.000 0.274 321 G HA3 0.232 4.192 3.960 -0.000 0.000 0.274 321 G C -1.098 173.786 174.900 -0.027 0.000 1.718 321 G CA -0.790 44.290 45.100 -0.033 0.000 0.927 321 G HN 0.629 nan 8.290 nan 0.000 0.733 322 R N 2.231 122.708 120.500 -0.038 0.000 2.808 322 R HA 0.556 4.896 4.340 -0.000 0.000 0.248 322 R C 0.789 177.074 176.300 -0.025 0.000 1.539 322 R CA 1.007 57.086 56.100 -0.035 0.000 1.071 322 R CB -0.573 29.705 30.300 -0.037 0.000 1.172 322 R HN 1.752 nan 8.270 nan 0.000 0.579 323 M N -0.294 119.293 119.600 -0.022 0.000 2.667 323 M HA 0.543 5.023 4.480 -0.000 0.000 0.286 323 M C -0.537 175.744 176.300 -0.032 0.000 1.270 323 M CA -0.576 54.713 55.300 -0.019 0.000 0.826 323 M CB 1.943 34.542 32.600 -0.002 0.000 1.743 323 M HN 0.286 nan 8.290 nan 0.000 0.460 324 S N 2.313 117.992 115.700 -0.035 0.000 2.430 324 S HA 0.320 4.790 4.470 -0.000 0.000 0.282 324 S C 0.850 175.407 174.600 -0.072 0.000 1.186 324 S CA -0.485 57.686 58.200 -0.048 0.000 1.060 324 S CB -0.103 63.072 63.200 -0.041 0.000 0.966 324 S HN 0.688 nan 8.310 nan 0.000 0.501 325 M N 4.350 123.896 119.600 -0.091 0.000 2.562 325 M HA 0.252 4.732 4.480 -0.000 0.000 0.257 325 M C 1.891 178.115 176.300 -0.126 0.000 1.099 325 M CA 1.465 56.680 55.300 -0.142 0.000 1.099 325 M CB -1.474 31.032 32.600 -0.155 0.000 1.427 325 M HN 0.553 nan 8.290 nan 0.000 0.489 326 K N 1.251 121.598 120.400 -0.089 0.000 2.211 326 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 326 K C 1.886 178.441 176.600 -0.075 0.000 1.047 326 K CA 2.072 58.315 56.287 -0.074 0.000 0.935 326 K CB -1.256 31.210 32.500 -0.055 0.000 0.728 326 K HN 0.772 nan 8.250 nan 0.000 0.452 327 E N -0.388 119.765 120.200 -0.079 0.000 2.122 327 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 327 E C 1.970 178.508 176.600 -0.104 0.000 0.977 327 E CA 0.774 57.131 56.400 -0.072 0.000 0.820 327 E CB 0.007 29.677 29.700 -0.050 0.000 0.770 327 E HN 0.223 nan 8.360 nan 0.000 0.462 328 V N 2.205 122.016 119.914 -0.172 0.000 2.231 328 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 328 V C 1.671 177.620 176.094 -0.242 0.000 1.054 328 V CA 2.522 64.638 62.300 -0.307 0.000 1.015 328 V CB -0.786 30.720 31.823 -0.530 0.000 0.638 328 V HN 0.458 nan 8.190 nan 0.000 0.444 329 D N -0.626 119.660 120.400 -0.191 0.000 2.263 329 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 329 D C 1.992 178.232 176.300 -0.101 0.000 0.971 329 D CA 1.012 54.929 54.000 -0.138 0.000 0.867 329 D CB -0.256 40.475 40.800 -0.115 0.000 0.929 329 D HN 0.528 nan 8.370 nan 0.000 0.492 330 E N -0.091 120.055 120.200 -0.090 0.000 2.107 330 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 330 E C 1.821 178.388 176.600 -0.054 0.000 0.982 330 E CA 0.620 56.979 56.400 -0.067 0.000 0.809 330 E CB 0.205 29.870 29.700 -0.058 0.000 0.756 330 E HN 0.173 nan 8.360 nan 0.000 0.459 331 Q N -0.137 119.635 119.800 -0.046 0.000 2.096 331 Q HA -0.088 4.252 4.340 -0.000 0.000 0.197 331 Q C 2.022 178.024 176.000 0.003 0.000 0.964 331 Q CA 0.773 56.570 55.803 -0.009 0.000 0.838 331 Q CB -0.211 28.543 28.738 0.026 0.000 0.906 331 Q HN 0.239 nan 8.270 nan 0.000 0.444 332 M N 0.600 120.192 119.600 -0.012 0.000 2.065 332 M HA -0.162 4.317 4.480 -0.000 0.000 0.259 332 M C 2.117 178.378 176.300 -0.066 0.000 1.071 332 M CA 1.200 56.505 55.300 0.008 0.000 1.109 332 M CB -1.012 31.569 32.600 -0.032 0.000 1.313 332 M HN 0.212 nan 8.290 nan 0.000 0.408 333 L N 0.085 121.253 121.223 -0.092 0.000 1.976 333 L HA -0.363 3.977 4.340 -0.000 0.000 0.223 333 L C 2.115 178.912 176.870 -0.121 0.000 1.081 333 L CA 2.457 57.226 54.840 -0.119 0.000 0.784 333 L CB -0.806 41.196 42.059 -0.095 0.000 0.896 333 L HN 0.468 nan 8.230 nan 0.000 0.438 334 N N -1.069 117.581 118.700 -0.083 0.000 2.091 334 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 334 N C 1.591 177.046 175.510 -0.092 0.000 1.021 334 N CA 2.002 55.009 53.050 -0.072 0.000 0.862 334 N CB -0.149 38.312 38.487 -0.043 0.000 1.018 334 N HN 0.370 nan 8.380 nan 0.000 0.429 335 V N -0.143 119.704 119.914 -0.112 0.000 2.358 335 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 335 V C 1.893 177.854 176.094 -0.223 0.000 1.047 335 V CA 1.605 63.795 62.300 -0.182 0.000 1.035 335 V CB -0.941 30.708 31.823 -0.290 0.000 0.658 335 V HN 0.393 nan 8.190 nan 0.000 0.452 336 Q N 0.944 120.556 119.800 -0.313 0.000 2.439 336 Q HA -0.147 4.193 4.340 -0.000 0.000 0.211 336 Q C 1.459 177.333 176.000 -0.211 0.000 0.978 336 Q CA 1.411 56.960 55.803 -0.423 0.000 0.897 336 Q CB -0.307 28.081 28.738 -0.584 0.000 0.956 336 Q HN 0.734 nan 8.270 nan 0.000 0.483 337 N N 0.031 118.647 118.700 -0.141 0.000 2.516 337 N HA -0.004 4.736 4.740 -0.000 0.000 0.197 337 N C 1.761 177.232 175.510 -0.066 0.000 1.064 337 N CA 1.318 54.312 53.050 -0.094 0.000 0.866 337 N CB -0.299 38.135 38.487 -0.087 0.000 1.255 337 N HN 0.197 nan 8.380 nan 0.000 0.447 338 K N 0.739 121.100 120.400 -0.065 0.000 2.288 338 K HA 0.121 4.441 4.320 -0.000 0.000 0.201 338 K C 0.809 177.386 176.600 -0.038 0.000 1.048 338 K CA 0.944 57.202 56.287 -0.048 0.000 0.956 338 K CB -0.539 31.935 32.500 -0.044 0.000 0.746 338 K HN 0.263 nan 8.250 nan 0.000 0.461 339 N N 0.239 118.921 118.700 -0.029 0.000 2.733 339 N HA 0.052 4.792 4.740 -0.000 0.000 0.271 339 N C 0.393 175.969 175.510 0.109 0.000 1.720 339 N CA 0.416 53.480 53.050 0.022 0.000 0.803 339 N CB 1.088 39.590 38.487 0.026 0.000 1.208 339 N HN 0.416 nan 8.380 nan 0.000 0.498 340 S N -0.923 114.791 115.700 0.024 0.000 2.406 340 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 340 S C 1.875 176.517 174.600 0.070 0.000 1.030 340 S CA 0.661 58.884 58.200 0.038 0.000 0.958 340 S CB -0.045 63.134 63.200 -0.034 0.000 0.811 340 S HN 0.276 nan 8.310 nan 0.000 0.489 341 S N 1.688 117.347 115.700 -0.067 0.000 2.368 341 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 341 S C 1.154 175.718 174.600 -0.060 0.000 1.044 341 S CA 1.432 59.523 58.200 -0.181 0.000 1.062 341 S CB -1.060 61.839 63.200 -0.501 0.000 0.931 341 S HN 0.722 nan 8.310 nan 0.000 0.440 342 Y N 1.081 121.427 120.300 0.077 0.000 2.581 342 Y HA 0.317 4.867 4.550 -0.000 0.000 0.346 342 Y C -0.364 175.416 175.900 -0.199 0.000 1.147 342 Y CA -0.764 57.321 58.100 -0.026 0.000 1.353 342 Y CB -0.550 37.874 38.460 -0.059 0.000 1.187 342 Y HN 0.092 nan 8.280 nan 0.000 0.505 343 F N -1.627 118.423 119.950 0.167 0.000 2.563 343 F HA 0.408 4.935 4.527 -0.000 0.000 0.316 343 F C -0.031 175.779 175.800 0.015 0.000 1.076 343 F CA -1.448 56.607 58.000 0.093 0.000 0.921 343 F CB 0.865 39.854 39.000 -0.018 0.000 1.209 343 F HN -0.457 nan 8.300 nan 0.000 0.462 344 V N 2.228 122.190 119.914 0.080 0.000 2.963 344 V HA -0.001 4.119 4.120 -0.000 0.000 0.306 344 V C 0.513 176.495 176.094 -0.187 0.000 1.077 344 V CA 0.600 62.799 62.300 -0.168 0.000 1.124 344 V CB 1.401 32.879 31.823 -0.575 0.000 0.987 344 V HN 0.836 nan 8.190 nan 0.000 0.487 345 E N 3.553 123.671 120.200 -0.136 0.000 2.216 345 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 345 E C 1.709 178.292 176.600 -0.029 0.000 0.973 345 E CA 0.963 57.346 56.400 -0.029 0.000 0.851 345 E CB -0.049 29.706 29.700 0.093 0.000 0.804 345 E HN 0.899 nan 8.360 nan 0.000 0.477 346 W N 1.527 122.875 121.300 0.080 0.000 2.525 346 W HA 0.076 4.736 4.660 -0.000 0.000 0.259 346 W C -0.041 176.504 176.519 0.043 0.000 1.253 346 W CA 0.222 57.607 57.345 0.067 0.000 1.262 346 W CB -0.803 28.710 29.460 0.088 0.000 1.122 346 W HN -0.098 nan 8.180 nan 0.000 0.607 347 I N 1.494 121.935 120.570 -0.215 0.000 2.321 347 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 347 I C -1.692 174.368 176.117 -0.095 0.000 0.998 347 I CA -2.438 58.792 61.300 -0.117 0.000 1.227 347 I CB 1.134 39.015 38.000 -0.198 0.000 1.368 347 I HN -0.454 nan 8.210 nan 0.000 0.466 348 P HA -0.030 nan 4.420 nan 0.000 0.203 348 P C -0.013 177.253 177.300 -0.055 0.000 1.202 348 P CA 1.157 64.238 63.100 -0.032 0.000 0.917 348 P CB 0.087 31.782 31.700 -0.008 0.000 0.750 349 N N -0.112 118.560 118.700 -0.048 0.000 3.250 349 N HA 0.065 4.804 4.740 -0.000 0.000 0.307 349 N C 0.149 175.625 175.510 -0.057 0.000 1.355 349 N CA -0.177 52.838 53.050 -0.059 0.000 1.192 349 N CB -1.143 37.316 38.487 -0.047 0.000 1.478 349 N HN 0.328 nan 8.380 nan 0.000 0.543 350 N N -0.572 118.089 118.700 -0.064 0.000 2.485 350 N HA -0.052 4.688 4.740 -0.000 0.000 0.199 350 N C -0.202 175.310 175.510 0.003 0.000 1.236 350 N CA -0.185 52.842 53.050 -0.038 0.000 0.852 350 N CB 0.470 38.924 38.487 -0.055 0.000 1.018 350 N HN 0.050 nan 8.380 nan 0.000 0.457 351 V N 0.367 120.261 119.914 -0.033 0.000 2.454 351 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 351 V C -1.396 174.699 176.094 0.002 0.000 0.993 351 V CA -0.879 61.430 62.300 0.015 0.000 0.836 351 V CB 0.700 32.542 31.823 0.032 0.000 1.055 351 V HN 0.061 nan 8.190 nan 0.000 0.452 352 K N 3.597 124.008 120.400 0.018 0.000 2.118 352 K HA 0.708 5.028 4.320 -0.000 0.000 0.267 352 K C 0.085 176.711 176.600 0.042 0.000 0.991 352 K CA -0.194 56.099 56.287 0.009 0.000 0.916 352 K CB 1.900 34.397 32.500 -0.004 0.000 1.041 352 K HN 0.855 nan 8.250 nan 0.000 0.455 353 T N -2.030 112.542 114.554 0.030 0.000 2.903 353 T HA 0.837 5.187 4.350 -0.000 0.000 0.299 353 T C -0.671 174.039 174.700 0.017 0.000 1.093 353 T CA -0.977 61.159 62.100 0.061 0.000 1.002 353 T CB 2.089 71.009 68.868 0.086 0.000 1.127 353 T HN 0.581 nan 8.240 nan 0.000 0.488 354 A N 0.987 123.839 122.820 0.053 0.000 2.564 354 A HA 0.949 5.269 4.320 -0.000 0.000 0.288 354 A C -0.830 176.792 177.584 0.063 0.000 1.164 354 A CA -0.699 51.351 52.037 0.021 0.000 0.712 354 A CB 1.586 20.598 19.000 0.021 0.000 1.303 354 A HN 1.968 nan 8.150 nan 0.000 0.418 355 V N -2.324 117.604 119.914 0.024 0.000 2.623 355 V HA 0.693 4.813 4.120 -0.000 0.000 0.304 355 V C -0.416 175.686 176.094 0.014 0.000 1.054 355 V CA -0.775 61.550 62.300 0.041 0.000 0.882 355 V CB 0.341 32.150 31.823 -0.025 0.000 1.002 355 V HN 1.724 nan 8.190 nan 0.000 0.424 356 C N 4.514 123.820 119.300 0.010 0.000 2.455 356 C HA 0.801 5.261 4.460 -0.000 0.000 0.320 356 C C 0.735 175.673 174.990 -0.087 0.000 1.226 356 C CA 0.090 59.080 59.018 -0.046 0.000 1.569 356 C CB 1.540 29.247 27.740 -0.054 0.000 2.200 356 C HN 1.020 nan 8.230 nan 0.000 0.491 357 D N 2.855 123.185 120.400 -0.116 0.000 2.349 357 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 357 D C 0.164 176.370 176.300 -0.157 0.000 1.063 357 D CA 0.058 53.994 54.000 -0.108 0.000 0.847 357 D CB -0.210 40.544 40.800 -0.076 0.000 0.933 357 D HN 0.552 nan 8.370 nan 0.000 0.513 358 I N 2.025 122.433 120.570 -0.268 0.000 2.287 358 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 358 I C -2.349 173.598 176.117 -0.284 0.000 1.069 358 I CA -2.269 58.842 61.300 -0.316 0.000 1.237 358 I CB 0.929 38.635 38.000 -0.489 0.000 1.418 358 I HN -0.260 nan 8.210 nan 0.000 0.481 359 P HA 0.205 nan 4.420 nan 0.000 0.272 359 P C -2.578 174.668 177.300 -0.088 0.000 1.254 359 P CA -0.702 62.334 63.100 -0.107 0.000 0.795 359 P CB -0.294 31.364 31.700 -0.069 0.000 1.022 370 G N 0.346 109.157 108.800 0.018 0.000 2.598 370 G HA2 0.255 4.215 3.960 -0.000 0.000 0.269 370 G HA3 0.255 4.215 3.960 -0.000 0.000 0.269 370 G C -0.170 174.737 174.900 0.011 0.000 1.289 370 G CA 0.150 45.260 45.100 0.018 0.000 0.926 370 G HN 2.368 nan 8.290 nan 0.000 0.567 371 L N -2.558 118.671 121.223 0.010 0.000 3.052 371 L HA -0.025 4.315 4.340 -0.000 0.000 0.540 371 L C 2.259 179.119 176.870 -0.017 0.000 1.001 371 L CA 2.176 57.015 54.840 -0.001 0.000 1.287 371 L CB -2.002 40.063 42.059 0.009 0.000 1.312 371 L HN 2.099 nan 8.230 nan 0.000 0.637 372 K N 2.816 123.203 120.400 -0.022 0.000 2.057 372 K HA 0.206 4.526 4.320 -0.000 0.000 0.206 372 K C 0.878 177.456 176.600 -0.037 0.000 1.050 372 K CA 1.963 58.234 56.287 -0.027 0.000 0.935 372 K CB 0.053 32.540 32.500 -0.021 0.000 0.715 372 K HN 0.602 nan 8.250 nan 0.000 0.439 373 M N 0.296 119.868 119.600 -0.047 0.000 2.327 373 M HA 0.398 4.878 4.480 -0.000 0.000 0.298 373 M C -1.201 175.029 176.300 -0.116 0.000 1.065 373 M CA -0.283 54.980 55.300 -0.060 0.000 0.916 373 M CB 2.776 35.352 32.600 -0.040 0.000 1.630 373 M HN 0.356 nan 8.290 nan 0.000 0.442 374 S N 2.678 118.277 115.700 -0.170 0.000 2.596 374 S HA 1.014 5.484 4.470 -0.000 0.000 0.270 374 S C -1.648 172.674 174.600 -0.463 0.000 1.155 374 S CA -0.546 57.455 58.200 -0.332 0.000 0.827 374 S CB 1.843 64.853 63.200 -0.316 0.000 1.130 374 S HN 1.104 nan 8.310 nan 0.000 0.467 375 A N 0.942 123.332 122.820 -0.717 0.000 2.515 375 A HA 0.913 5.233 4.320 -0.000 0.000 0.298 375 A C -0.293 176.867 177.584 -0.707 0.000 1.059 375 A CA -0.310 51.270 52.037 -0.761 0.000 0.698 375 A CB 1.581 19.972 19.000 -1.015 0.000 1.289 375 A HN 1.875 nan 8.150 nan 0.000 0.404 376 T N -0.872 113.458 114.554 -0.374 0.000 2.861 376 T HA 0.655 5.005 4.350 -0.000 0.000 0.287 376 T C -1.334 173.374 174.700 0.013 0.000 1.003 376 T CA -0.436 61.623 62.100 -0.068 0.000 0.977 376 T CB 1.034 69.997 68.868 0.159 0.000 0.996 376 T HN 1.296 nan 8.240 nan 0.000 0.448 377 F N 5.382 125.285 119.950 -0.078 0.000 2.403 377 F HA 0.643 5.170 4.527 -0.000 0.000 0.355 377 F C -1.003 174.822 175.800 0.041 0.000 1.119 377 F CA -1.889 56.049 58.000 -0.104 0.000 1.007 377 F CB 0.602 39.476 39.000 -0.211 0.000 1.194 377 F HN 0.621 nan 8.300 nan 0.000 0.443 378 I N 5.110 125.448 120.570 -0.386 0.000 2.395 378 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 378 I C 0.429 176.013 176.117 -0.888 0.000 1.023 378 I CA -0.449 60.585 61.300 -0.443 0.000 1.350 378 I CB 1.219 39.094 38.000 -0.208 0.000 1.409 378 I HN 0.853 nan 8.210 nan 0.000 0.507 379 G N 4.544 112.918 108.800 -0.709 0.000 2.618 379 G HA2 0.098 4.058 3.960 -0.000 0.000 0.289 379 G HA3 0.098 4.058 3.960 -0.000 0.000 0.289 379 G C -0.500 174.398 174.900 -0.002 0.000 1.493 379 G CA -0.593 44.226 45.100 -0.468 0.000 1.133 379 G HN 0.741 nan 8.290 nan 0.000 0.578 380 N N 1.799 120.581 118.700 0.137 0.000 2.950 380 N HA 0.125 4.865 4.740 -0.000 0.000 0.313 380 N C 0.448 175.987 175.510 0.047 0.000 1.213 380 N CA -0.076 53.116 53.050 0.236 0.000 1.184 380 N CB 0.168 38.831 38.487 0.294 0.000 1.454 380 N HN 0.313 nan 8.380 nan 0.000 0.532 381 S N 0.257 115.896 115.700 -0.102 0.000 2.480 381 S HA 0.093 4.563 4.470 -0.000 0.000 0.286 381 S C 1.544 175.898 174.600 -0.410 0.000 1.180 381 S CA -0.824 57.188 58.200 -0.314 0.000 1.075 381 S CB 1.133 63.996 63.200 -0.561 0.000 0.996 381 S HN 0.530 nan 8.310 nan 0.000 0.487 382 T N 2.506 116.821 114.554 -0.398 0.000 3.098 382 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 382 T C 1.631 176.085 174.700 -0.409 0.000 1.145 382 T CA 0.784 62.564 62.100 -0.533 0.000 1.092 382 T CB -0.359 68.398 68.868 -0.184 0.000 0.908 382 T HN 0.661 nan 8.240 nan 0.000 0.526 383 A N 1.127 123.743 122.820 -0.340 0.000 2.216 383 A HA 0.196 4.516 4.320 -0.000 0.000 0.214 383 A C 2.150 179.573 177.584 -0.268 0.000 1.160 383 A CA 0.295 52.174 52.037 -0.263 0.000 0.725 383 A CB -0.747 18.105 19.000 -0.247 0.000 0.784 383 A HN 0.483 nan 8.150 nan 0.000 0.472 384 I N 0.285 120.645 120.570 -0.350 0.000 2.361 384 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 384 I C 2.479 178.370 176.117 -0.376 0.000 1.133 384 I CA 1.613 62.689 61.300 -0.375 0.000 1.413 384 I CB -0.986 36.781 38.000 -0.387 0.000 1.073 384 I HN 0.618 nan 8.210 nan 0.000 0.424 385 Q N 0.745 120.432 119.800 -0.189 0.000 2.242 385 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 385 Q C 1.731 177.696 176.000 -0.058 0.000 0.992 385 Q CA 1.785 57.611 55.803 0.038 0.000 0.889 385 Q CB -0.010 28.791 28.738 0.104 0.000 0.913 385 Q HN 0.536 nan 8.270 nan 0.000 0.422 386 E N 0.348 120.461 120.200 -0.144 0.000 2.153 386 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 386 E C 2.093 178.618 176.600 -0.124 0.000 0.988 386 E CA 1.114 57.424 56.400 -0.150 0.000 0.811 386 E CB -0.124 29.453 29.700 -0.205 0.000 0.746 386 E HN 0.458 nan 8.360 nan 0.000 0.466 387 L N -0.285 120.831 121.223 -0.177 0.000 2.034 387 L HA -0.056 4.284 4.340 -0.000 0.000 0.203 387 L C 2.349 179.192 176.870 -0.046 0.000 1.074 387 L CA 1.105 55.854 54.840 -0.152 0.000 0.748 387 L CB -0.477 41.441 42.059 -0.235 0.000 0.905 387 L HN -0.018 nan 8.230 nan 0.000 0.439 388 F N 0.551 120.453 119.950 -0.080 0.000 2.063 388 F HA -0.363 4.164 4.527 -0.000 0.000 0.298 388 F C 2.606 178.349 175.800 -0.096 0.000 1.105 388 F CA 1.677 59.606 58.000 -0.118 0.000 1.215 388 F CB -0.384 38.517 39.000 -0.164 0.000 0.972 388 F HN 0.070 nan 8.300 nan 0.000 0.483 389 K N 0.297 120.769 120.400 0.120 0.000 2.113 389 K HA -0.242 4.077 4.320 -0.000 0.000 0.208 389 K C 2.028 178.646 176.600 0.029 0.000 1.047 389 K CA 1.887 58.200 56.287 0.044 0.000 0.928 389 K CB -0.240 32.268 32.500 0.014 0.000 0.716 389 K HN 0.378 nan 8.250 nan 0.000 0.446 390 R N 0.976 121.489 120.500 0.022 0.000 2.092 390 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 390 R C 2.326 178.646 176.300 0.034 0.000 1.119 390 R CA 1.702 57.811 56.100 0.015 0.000 0.970 390 R CB -0.799 29.500 30.300 -0.002 0.000 0.864 390 R HN 0.329 nan 8.270 nan 0.000 0.440 391 I N -0.841 119.759 120.570 0.050 0.000 2.235 391 I HA -0.040 4.130 4.170 -0.000 0.000 0.241 391 I C 2.371 178.535 176.117 0.078 0.000 1.085 391 I CA 1.633 62.968 61.300 0.059 0.000 1.378 391 I CB -0.538 37.493 38.000 0.052 0.000 1.076 391 I HN 0.112 nan 8.210 nan 0.000 0.415 392 S N 0.487 116.208 115.700 0.035 0.000 2.440 392 S HA -0.275 4.195 4.470 -0.000 0.000 0.238 392 S C 1.984 176.655 174.600 0.118 0.000 1.010 392 S CA 1.733 59.956 58.200 0.039 0.000 0.972 392 S CB -0.667 62.503 63.200 -0.051 0.000 0.774 392 S HN 0.786 nan 8.310 nan 0.000 0.501 393 E N 0.950 121.198 120.200 0.081 0.000 2.047 393 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 393 E C 1.762 178.412 176.600 0.085 0.000 0.987 393 E CA 1.577 58.020 56.400 0.071 0.000 0.799 393 E CB -0.423 29.301 29.700 0.039 0.000 0.752 393 E HN 0.732 nan 8.360 nan 0.000 0.449 394 Q N -0.740 119.110 119.800 0.083 0.000 2.425 394 Q HA 0.098 4.438 4.340 -0.000 0.000 0.204 394 Q C 1.539 177.592 176.000 0.089 0.000 0.933 394 Q CA 0.549 56.387 55.803 0.058 0.000 0.939 394 Q CB -0.234 28.513 28.738 0.016 0.000 1.044 394 Q HN 0.354 nan 8.270 nan 0.000 0.513 395 F N 1.499 121.467 119.950 0.030 0.000 2.123 395 F HA -0.057 4.470 4.527 -0.000 0.000 0.289 395 F C 1.801 177.710 175.800 0.182 0.000 1.099 395 F CA 1.589 59.644 58.000 0.091 0.000 1.234 395 F CB -0.237 38.779 39.000 0.028 0.000 1.034 395 F HN -0.064 nan 8.300 nan 0.000 0.479 396 T N 0.785 115.530 114.554 0.320 0.000 2.915 396 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 396 T C 2.035 176.818 174.700 0.138 0.000 1.071 396 T CA 0.926 63.173 62.100 0.245 0.000 1.132 396 T CB -0.733 68.292 68.868 0.261 0.000 0.878 396 T HN 0.358 nan 8.240 nan 0.000 0.479 397 A N 0.368 123.246 122.820 0.097 0.000 2.178 397 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 397 A C 2.113 179.718 177.584 0.035 0.000 1.157 397 A CA 1.051 53.123 52.037 0.057 0.000 0.689 397 A CB -0.538 18.487 19.000 0.042 0.000 0.787 397 A HN 0.500 nan 8.150 nan 0.000 0.465 398 M N -3.649 115.964 119.600 0.023 0.000 2.669 398 M HA 0.287 4.767 4.480 -0.000 0.000 0.248 398 M C 1.382 177.776 176.300 0.157 0.000 1.382 398 M CA 0.278 55.600 55.300 0.037 0.000 1.158 398 M CB 0.448 32.966 32.600 -0.137 0.000 1.371 398 M HN 0.391 nan 8.290 nan 0.000 0.540 399 F N 1.234 121.139 119.950 -0.075 0.000 2.604 399 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 399 F C 1.734 177.523 175.800 -0.019 0.000 1.131 399 F CA 0.657 58.599 58.000 -0.097 0.000 1.457 399 F CB -0.191 38.627 39.000 -0.304 0.000 1.095 399 F HN -0.004 nan 8.300 nan 0.000 0.574 400 R N 0.906 121.432 120.500 0.043 0.000 2.715 400 R HA -0.275 4.065 4.340 -0.000 0.000 0.161 400 R C 1.704 177.934 176.300 -0.116 0.000 0.621 400 R CA 2.016 58.111 56.100 -0.010 0.000 0.944 400 R CB -0.690 29.623 30.300 0.023 0.000 0.540 400 R HN 0.072 nan 8.270 nan 0.000 0.515 401 R N 1.865 122.322 120.500 -0.073 0.000 2.858 401 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 401 R C -0.555 175.664 176.300 -0.134 0.000 1.471 401 R CA 0.329 56.371 56.100 -0.096 0.000 1.342 401 R CB -0.773 29.498 30.300 -0.047 0.000 1.152 401 R HN 0.347 nan 8.270 nan 0.000 0.521 402 K N -0.493 119.759 120.400 -0.246 0.000 4.838 402 K HA -0.267 4.053 4.320 -0.000 0.000 0.300 402 K C 0.354 176.923 176.600 -0.050 0.000 0.861 402 K CA 0.406 56.514 56.287 -0.298 0.000 0.929 402 K CB -0.870 31.383 32.500 -0.412 0.000 1.772 402 K HN 0.424 nan 8.250 nan 0.000 0.422 403 A N 1.266 124.167 122.820 0.135 0.000 3.983 403 A HA 0.270 4.590 4.320 -0.000 0.000 0.161 403 A C 0.846 178.678 177.584 0.414 0.000 1.632 403 A CA 0.243 52.437 52.037 0.261 0.000 1.257 403 A CB -0.432 18.797 19.000 0.381 0.000 1.295 403 A HN 0.418 nan 8.150 nan 0.000 0.522 404 F N 0.375 120.520 119.950 0.324 0.000 2.500 404 F HA -0.155 4.372 4.527 -0.000 0.000 0.294 404 F C 1.877 177.999 175.800 0.538 0.000 1.101 404 F CA 0.940 59.200 58.000 0.434 0.000 1.484 404 F CB -1.037 38.217 39.000 0.425 0.000 1.110 404 F HN 0.389 nan 8.300 nan 0.000 0.603 405 L N 0.509 122.091 121.223 0.597 0.000 2.129 405 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 405 L C 2.895 179.893 176.870 0.215 0.000 1.087 405 L CA 1.947 56.942 54.840 0.258 0.000 0.757 405 L CB -0.823 41.139 42.059 -0.162 0.000 0.896 405 L HN 0.438 nan 8.230 nan 0.000 0.434 406 H N -2.050 117.070 119.070 0.083 0.000 2.541 406 H HA -0.248 4.308 4.556 -0.000 0.000 0.289 406 H C 1.340 176.653 175.328 -0.025 0.000 1.054 406 H CA 1.532 57.542 56.048 -0.062 0.000 1.250 406 H CB -0.795 28.825 29.762 -0.237 0.000 1.369 406 H HN 0.645 nan 8.280 nan 0.000 0.578 407 W N 0.223 121.311 121.300 -0.354 0.000 2.800 407 W HA -0.007 4.653 4.660 -0.000 0.000 0.249 407 W C 1.017 177.470 176.519 -0.109 0.000 1.294 407 W CA 0.074 57.242 57.345 -0.295 0.000 1.402 407 W CB 0.175 29.480 29.460 -0.259 0.000 1.126 407 W HN 0.204 nan 8.180 nan 0.000 0.652 408 Y N -2.375 118.042 120.300 0.194 0.000 2.607 408 Y HA 0.105 4.655 4.550 -0.000 0.000 0.276 408 Y C 2.318 178.241 175.900 0.038 0.000 1.117 408 Y CA 0.348 58.557 58.100 0.181 0.000 1.273 408 Y CB -1.193 37.430 38.460 0.273 0.000 1.282 408 Y HN -0.337 nan 8.280 nan 0.000 0.514 409 T N 0.385 115.017 114.554 0.129 0.000 2.567 409 T HA -0.320 4.030 4.350 -0.000 0.000 0.261 409 T C 2.203 176.932 174.700 0.048 0.000 1.123 409 T CA 2.522 64.636 62.100 0.025 0.000 1.166 409 T CB -0.997 67.882 68.868 0.018 0.000 0.860 409 T HN 0.638 nan 8.240 nan 0.000 0.436 410 G N 0.457 109.301 108.800 0.073 0.000 2.448 410 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 410 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 410 G C 1.462 176.404 174.900 0.070 0.000 1.135 410 G CA 0.320 45.457 45.100 0.062 0.000 0.784 410 G HN 0.366 nan 8.290 nan 0.000 0.543 411 E N 0.334 120.595 120.200 0.102 0.000 2.409 411 E HA 0.062 4.412 4.350 -0.000 0.000 0.198 411 E C 1.774 178.403 176.600 0.049 0.000 1.024 411 E CA 0.661 57.120 56.400 0.098 0.000 0.861 411 E CB -0.115 29.670 29.700 0.143 0.000 0.788 411 E HN 0.459 nan 8.360 nan 0.000 0.521 412 G N 0.506 109.317 108.800 0.018 0.000 2.151 412 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.156 412 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.156 412 G C 0.211 175.041 174.900 -0.118 0.000 1.017 412 G CA 0.080 45.151 45.100 -0.048 0.000 0.686 412 G HN 0.090 nan 8.290 nan 0.000 0.503 413 M N 0.221 119.793 119.600 -0.047 0.000 2.573 413 M HA 0.427 4.907 4.480 -0.000 0.000 0.309 413 M C -0.611 175.670 176.300 -0.031 0.000 1.202 413 M CA -0.682 54.593 55.300 -0.041 0.000 0.975 413 M CB 1.246 33.938 32.600 0.153 0.000 1.600 413 M HN 0.088 nan 8.290 nan 0.000 0.479 414 D N 1.069 121.462 120.400 -0.012 0.000 2.198 414 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 414 D C 0.627 176.903 176.300 -0.040 0.000 1.079 414 D CA 0.071 54.060 54.000 -0.019 0.000 0.854 414 D CB 1.544 42.346 40.800 0.003 0.000 1.148 414 D HN 0.643 nan 8.370 nan 0.000 0.456 415 E N 3.185 123.349 120.200 -0.060 0.000 2.181 415 E HA -0.347 4.003 4.350 -0.000 0.000 0.225 415 E C 1.617 178.261 176.600 0.073 0.000 1.073 415 E CA 3.022 59.396 56.400 -0.044 0.000 0.916 415 E CB -0.242 29.440 29.700 -0.029 0.000 0.793 415 E HN 0.646 nan 8.360 nan 0.000 0.472 416 M N -0.781 118.864 119.600 0.075 0.000 2.541 416 M HA 0.248 4.728 4.480 -0.000 0.000 0.252 416 M C 1.750 178.099 176.300 0.081 0.000 1.125 416 M CA 1.402 56.762 55.300 0.101 0.000 1.091 416 M CB 0.137 32.775 32.600 0.064 0.000 1.420 416 M HN 0.065 nan 8.290 nan 0.000 0.486 417 E N 0.149 120.403 120.200 0.091 0.000 2.204 417 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 417 E C 1.254 177.928 176.600 0.124 0.000 0.989 417 E CA 1.030 57.487 56.400 0.095 0.000 0.824 417 E CB -0.049 29.724 29.700 0.122 0.000 0.756 417 E HN 0.560 nan 8.360 nan 0.000 0.477 418 F N 1.013 120.874 119.950 -0.147 0.000 2.060 418 F HA -0.159 4.368 4.527 -0.000 0.000 0.295 418 F C 2.728 178.283 175.800 -0.408 0.000 1.120 418 F CA 1.690 59.522 58.000 -0.281 0.000 1.205 418 F CB -1.174 37.666 39.000 -0.266 0.000 0.986 418 F HN 0.020 nan 8.300 nan 0.000 0.470 419 T N -1.198 113.206 114.554 -0.251 0.000 2.778 419 T HA -0.253 4.097 4.350 -0.000 0.000 0.269 419 T C 1.779 176.394 174.700 -0.142 0.000 1.050 419 T CA 1.518 63.464 62.100 -0.257 0.000 1.137 419 T CB -0.505 68.325 68.868 -0.064 0.000 0.860 419 T HN 0.311 nan 8.240 nan 0.000 0.468 420 E N 0.800 120.953 120.200 -0.078 0.000 2.265 420 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 420 E C 2.049 178.629 176.600 -0.035 0.000 0.996 420 E CA 0.845 57.219 56.400 -0.044 0.000 0.832 420 E CB -0.072 29.623 29.700 -0.008 0.000 0.756 420 E HN 0.636 nan 8.360 nan 0.000 0.491 421 A N -0.049 122.699 122.820 -0.120 0.000 2.324 421 A HA 0.051 4.371 4.320 -0.000 0.000 0.220 421 A C 1.695 179.075 177.584 -0.341 0.000 1.209 421 A CA -0.176 51.823 52.037 -0.065 0.000 0.918 421 A CB 0.204 19.042 19.000 -0.269 0.000 0.959 421 A HN 0.133 nan 8.150 nan 0.000 0.507 422 E N 0.028 119.967 120.200 -0.436 0.000 2.106 422 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 422 E C 1.962 178.368 176.600 -0.323 0.000 0.984 422 E CA 1.269 57.359 56.400 -0.515 0.000 0.806 422 E CB 0.003 29.468 29.700 -0.391 0.000 0.750 422 E HN 0.492 nan 8.360 nan 0.000 0.458 423 S N 0.522 116.084 115.700 -0.229 0.000 2.357 423 S HA -0.117 4.353 4.470 -0.000 0.000 0.221 423 S C 1.854 176.322 174.600 -0.220 0.000 1.031 423 S CA 0.895 58.987 58.200 -0.180 0.000 0.982 423 S CB -0.350 62.776 63.200 -0.124 0.000 0.853 423 S HN 0.338 nan 8.310 nan 0.000 0.458 424 N N 0.435 118.988 118.700 -0.245 0.000 2.258 424 N HA -0.110 4.629 4.740 -0.000 0.000 0.187 424 N C 1.751 177.031 175.510 -0.382 0.000 1.012 424 N CA 1.043 53.891 53.050 -0.336 0.000 0.870 424 N CB -0.179 37.988 38.487 -0.534 0.000 0.977 424 N HN 0.453 nan 8.380 nan 0.000 0.434 425 M N 0.400 119.765 119.600 -0.391 0.000 2.193 425 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 425 M C 0.803 176.898 176.300 -0.341 0.000 1.071 425 M CA 0.945 55.974 55.300 -0.452 0.000 1.140 425 M CB -0.163 32.144 32.600 -0.488 0.000 1.369 425 M HN 0.041 nan 8.290 nan 0.000 0.423 426 N N 1.028 119.575 118.700 -0.254 0.000 2.573 426 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 426 N C 0.826 176.237 175.510 -0.166 0.000 1.107 426 N CA 0.834 53.780 53.050 -0.174 0.000 0.918 426 N CB -0.356 38.052 38.487 -0.131 0.000 0.966 426 N HN 0.384 nan 8.380 nan 0.000 0.448 427 D N 0.545 120.821 120.400 -0.207 0.000 2.107 427 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 427 D C 1.992 178.154 176.300 -0.230 0.000 0.978 427 D CA 0.249 54.129 54.000 -0.200 0.000 0.852 427 D CB -0.574 40.099 40.800 -0.211 0.000 1.008 427 D HN 0.040 nan 8.370 nan 0.000 0.458 428 L N 1.386 122.424 121.223 -0.308 0.000 2.211 428 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 428 L C 2.116 178.817 176.870 -0.283 0.000 1.092 428 L CA 1.226 55.832 54.840 -0.389 0.000 0.767 428 L CB -0.519 41.218 42.059 -0.536 0.000 0.894 428 L HN -0.134 nan 8.230 nan 0.000 0.437 429 V N -1.358 118.461 119.914 -0.159 0.000 2.216 429 V HA -0.246 3.874 4.120 -0.000 0.000 0.243 429 V C 2.085 178.171 176.094 -0.014 0.000 1.044 429 V CA 2.034 64.323 62.300 -0.018 0.000 0.995 429 V CB -0.554 31.255 31.823 -0.023 0.000 0.633 429 V HN 0.459 nan 8.190 nan 0.000 0.446 430 S N -0.933 114.727 115.700 -0.067 0.000 2.840 430 S HA 0.071 4.541 4.470 -0.000 0.000 0.235 430 S C 1.285 175.820 174.600 -0.109 0.000 0.968 430 S CA 0.110 58.273 58.200 -0.062 0.000 1.026 430 S CB -0.374 62.784 63.200 -0.070 0.000 0.788 430 S HN 0.603 nan 8.310 nan 0.000 0.487 431 E N -0.827 119.301 120.200 -0.120 0.000 2.332 431 E HA 0.100 4.450 4.350 -0.000 0.000 0.202 431 E C 0.954 177.557 176.600 0.006 0.000 0.877 431 E CA 0.097 56.390 56.400 -0.178 0.000 0.979 431 E CB -0.016 29.552 29.700 -0.221 0.000 0.969 431 E HN 0.588 nan 8.360 nan 0.000 0.495 432 Y N 1.237 121.559 120.300 0.037 0.000 2.181 432 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 432 Y C 2.672 178.621 175.900 0.082 0.000 1.146 432 Y CA 0.808 58.979 58.100 0.118 0.000 1.164 432 Y CB 0.288 38.799 38.460 0.084 0.000 0.982 432 Y HN 0.081 nan 8.280 nan 0.000 0.515 433 Q N 0.590 120.497 119.800 0.178 0.000 2.124 433 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 433 Q C 2.055 178.077 176.000 0.036 0.000 0.977 433 Q CA 1.461 57.316 55.803 0.086 0.000 0.850 433 Q CB -0.237 28.523 28.738 0.036 0.000 0.901 433 Q HN 0.346 nan 8.270 nan 0.000 0.429 434 Q N -1.051 118.710 119.800 -0.064 0.000 2.436 434 Q HA -0.106 4.234 4.340 -0.000 0.000 0.209 434 Q C -0.209 175.632 176.000 -0.265 0.000 0.965 434 Q CA 0.599 56.271 55.803 -0.217 0.000 0.910 434 Q CB 0.236 28.748 28.738 -0.375 0.000 0.980 434 Q HN 0.530 nan 8.270 nan 0.000 0.491 435 Y N 0.262 120.647 120.300 0.142 0.000 2.783 435 Y HA 0.240 4.790 4.550 -0.000 0.000 0.382 435 Y C -0.308 175.761 175.900 0.281 0.000 1.076 435 Y CA -0.463 57.785 58.100 0.247 0.000 1.530 435 Y CB 0.726 39.430 38.460 0.407 0.000 1.546 435 Y HN -0.047 nan 8.280 nan 0.000 0.537 436 Q N 1.160 121.149 119.800 0.315 0.000 2.907 436 Q HA 0.263 4.603 4.340 -0.000 0.000 0.262 436 Q C 0.220 176.361 176.000 0.236 0.000 0.997 436 Q CA -0.042 55.931 55.803 0.284 0.000 0.797 436 Q CB 0.760 29.613 28.738 0.191 0.000 1.228 436 Q HN 0.767 nan 8.270 nan 0.000 0.466 437 D N 0.408 120.994 120.400 0.311 0.000 2.976 437 D HA 0.866 5.506 4.640 -0.000 0.000 0.239 437 D C -0.101 176.287 176.300 0.146 0.000 1.198 437 D CA 0.397 54.501 54.000 0.172 0.000 1.171 437 D CB 0.310 41.149 40.800 0.066 0.000 1.012 437 D HN 0.488 nan 8.370 nan 0.000 0.318 438 A N -2.928 119.949 122.820 0.096 0.000 2.604 438 A HA 0.746 5.066 4.320 -0.000 0.000 0.295 438 A C 0.322 177.987 177.584 0.135 0.000 1.067 438 A CA 0.487 52.591 52.037 0.111 0.000 0.683 438 A CB 0.834 19.866 19.000 0.053 0.000 1.281 438 A HN 1.363 nan 8.150 nan 0.000 0.407 439 T N 0.000 114.652 114.554 0.164 0.000 3.816 439 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 439 T CA 0.000 62.202 62.100 0.170 0.000 1.349 439 T CB 0.000 68.955 68.868 0.144 0.000 0.612 439 T HN 0.000 nan 8.240 nan 0.000 0.658