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 3a8j_1_D DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.540 177.584 -0.073 0.000 1.274 1 A CA 0.000 51.984 52.037 -0.089 0.000 0.836 1 A CB 0.000 19.006 19.000 0.009 0.000 0.831 2 Q N 1.431 121.128 119.800 -0.172 0.000 2.199 2 Q HA 0.704 5.043 4.340 -0.001 0.000 0.232 2 Q C -0.145 176.115 176.000 0.432 0.000 0.969 2 Q CA -0.842 54.947 55.803 -0.023 0.000 0.925 2 Q CB 0.705 29.286 28.738 -0.262 0.000 1.198 2 Q HN 0.808 nan 8.270 nan 0.000 0.494 3 Q N -0.524 119.605 119.800 0.549 0.000 2.433 3 Q HA 0.505 4.844 4.340 -0.001 0.000 0.279 3 Q C -0.751 175.657 176.000 0.680 0.000 1.105 3 Q CA -0.991 55.198 55.803 0.644 0.000 0.815 3 Q CB 1.646 30.541 28.738 0.261 0.000 1.403 3 Q HN 0.763 nan 8.270 nan 0.000 0.435 4 T N -2.527 112.183 114.554 0.259 0.000 2.788 4 T HA 0.243 4.593 4.350 -0.001 0.000 0.287 4 T C -1.789 172.949 174.700 0.063 0.000 1.007 4 T CA -1.310 60.716 62.100 -0.123 0.000 1.005 4 T CB 0.321 68.892 68.868 -0.495 0.000 1.012 4 T HN 0.451 nan 8.240 nan 0.000 0.530 5 P HA 0.094 nan 4.420 nan 0.000 0.225 5 P C 1.131 178.403 177.300 -0.046 0.000 1.148 5 P CA 0.639 63.753 63.100 0.023 0.000 0.779 5 P CB -0.126 31.586 31.700 0.020 0.000 0.780 6 L N -2.876 118.247 121.223 -0.166 0.000 2.599 6 L HA -0.018 4.321 4.340 -0.001 0.000 0.230 6 L C 2.150 178.722 176.870 -0.495 0.000 1.141 6 L CA 0.121 54.672 54.840 -0.482 0.000 0.877 6 L CB -0.750 40.770 42.059 -0.898 0.000 1.009 6 L HN -0.062 nan 8.230 nan 0.000 0.447 7 Y N 1.506 121.703 120.300 -0.172 0.000 2.040 7 Y HA -0.418 4.131 4.550 -0.001 0.000 0.275 7 Y C 2.622 178.493 175.900 -0.049 0.000 1.171 7 Y CA 2.457 60.554 58.100 -0.005 0.000 1.123 7 Y CB 0.017 38.509 38.460 0.053 0.000 0.963 7 Y HN 0.280 nan 8.280 nan 0.000 0.493 8 E N -0.832 119.413 120.200 0.074 0.000 2.110 8 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 8 E C 2.136 178.673 176.600 -0.106 0.000 0.988 8 E CA 1.157 57.565 56.400 0.014 0.000 0.804 8 E CB -0.058 29.691 29.700 0.082 0.000 0.745 8 E HN 0.523 nan 8.360 nan 0.000 0.458 9 Q N 0.070 119.734 119.800 -0.226 0.000 2.061 9 Q HA -0.190 4.149 4.340 -0.001 0.000 0.204 9 Q C 2.124 178.008 176.000 -0.194 0.000 0.984 9 Q CA 1.329 56.980 55.803 -0.255 0.000 0.846 9 Q CB -0.564 27.853 28.738 -0.534 0.000 0.902 9 Q HN 0.532 nan 8.270 nan 0.000 0.421 10 H N 0.095 119.013 119.070 -0.253 0.000 2.290 10 H HA -0.102 4.454 4.556 -0.001 0.000 0.298 10 H C 2.329 177.621 175.328 -0.060 0.000 1.087 10 H CA 2.201 58.189 56.048 -0.101 0.000 1.291 10 H CB -0.812 28.770 29.762 -0.300 0.000 1.369 10 H HN 0.471 nan 8.280 nan 0.000 0.492 11 T N -0.445 114.053 114.554 -0.093 0.000 2.788 11 T HA -0.099 4.251 4.350 -0.001 0.000 0.268 11 T C 2.318 177.029 174.700 0.018 0.000 1.044 11 T CA 1.124 63.172 62.100 -0.086 0.000 1.139 11 T CB -0.712 68.066 68.868 -0.151 0.000 0.867 11 T HN 0.201 nan 8.240 nan 0.000 0.454 12 L N 0.215 121.459 121.223 0.035 0.000 2.201 12 L HA 0.038 4.377 4.340 -0.001 0.000 0.212 12 L C 2.370 179.305 176.870 0.108 0.000 1.105 12 L CA 0.584 55.462 54.840 0.063 0.000 0.775 12 L CB -0.492 41.599 42.059 0.054 0.000 0.913 12 L HN 0.427 nan 8.230 nan 0.000 0.440 13 C N 0.324 119.734 119.300 0.183 0.000 2.673 13 C HA 0.339 4.798 4.460 -0.001 0.000 0.274 13 C C 1.672 176.855 174.990 0.322 0.000 1.276 13 C CA 0.257 59.417 59.018 0.237 0.000 1.701 13 C CB -1.236 26.673 27.740 0.282 0.000 1.836 13 C HN 0.795 nan 8.230 nan 0.000 0.596 14 G N 0.851 109.785 108.800 0.222 0.000 2.132 14 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.228 14 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.228 14 G C 0.132 175.085 174.900 0.089 0.000 1.000 14 G CA 0.122 45.312 45.100 0.150 0.000 0.693 14 G HN 0.918 nan 8.290 nan 0.000 0.515 15 A N -0.362 122.461 122.820 0.004 0.000 2.498 15 A HA 0.651 4.970 4.320 -0.001 0.000 0.239 15 A C 0.768 178.141 177.584 -0.352 0.000 1.068 15 A CA 0.442 52.226 52.037 -0.422 0.000 0.766 15 A CB 0.227 18.897 19.000 -0.550 0.000 1.003 15 A HN 0.548 nan 8.150 nan 0.000 0.497 16 R N 2.091 122.284 120.500 -0.511 0.000 2.198 16 R HA 0.337 4.677 4.340 -0.001 0.000 0.339 16 R C -0.425 175.663 176.300 -0.353 0.000 1.020 16 R CA -0.121 55.735 56.100 -0.407 0.000 0.864 16 R CB 0.754 30.733 30.300 -0.535 0.000 1.105 16 R HN 0.681 nan 8.270 nan 0.000 0.463 17 M N 3.791 123.264 119.600 -0.212 0.000 2.180 17 M HA 0.268 4.747 4.480 -0.001 0.000 0.358 17 M C -0.282 175.987 176.300 -0.052 0.000 1.233 17 M CA -0.687 54.531 55.300 -0.136 0.000 1.114 17 M CB 1.225 33.792 32.600 -0.056 0.000 1.594 17 M HN 0.362 nan 8.290 nan 0.000 0.467 18 V N -0.079 119.823 119.914 -0.020 0.000 2.769 18 V HA 0.546 4.665 4.120 -0.001 0.000 0.312 18 V C -0.360 175.810 176.094 0.127 0.000 1.061 18 V CA -1.075 61.251 62.300 0.043 0.000 0.931 18 V CB 2.140 33.981 31.823 0.031 0.000 1.010 18 V HN 0.777 nan 8.190 nan 0.000 0.433 19 D N 2.787 123.265 120.400 0.130 0.000 2.346 19 D HA 0.138 4.777 4.640 -0.001 0.000 0.260 19 D C -1.139 175.297 176.300 0.226 0.000 1.252 19 D CA 0.089 54.188 54.000 0.164 0.000 0.895 19 D CB 0.648 41.503 40.800 0.092 0.000 1.097 19 D HN 0.569 nan 8.370 nan 0.000 0.489 20 F N 4.811 124.839 119.950 0.131 0.000 2.325 20 F HA 0.225 4.751 4.527 -0.001 0.000 0.369 20 F C 0.030 175.942 175.800 0.187 0.000 1.095 20 F CA -0.738 57.316 58.000 0.090 0.000 1.082 20 F CB -0.177 38.931 39.000 0.180 0.000 1.289 20 F HN 0.508 nan 8.300 nan 0.000 0.462 21 H N 3.365 122.349 119.070 -0.142 0.000 2.626 21 H HA -0.123 4.432 4.556 -0.001 0.000 0.317 21 H C 1.366 176.581 175.328 -0.189 0.000 1.140 21 H CA 1.014 56.946 56.048 -0.193 0.000 1.134 21 H CB -1.126 28.446 29.762 -0.315 0.000 1.486 21 H HN 1.123 nan 8.280 nan 0.000 0.417 22 G N -2.114 106.641 108.800 -0.076 0.000 2.143 22 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.249 22 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.249 22 G C -0.028 174.663 174.900 -0.348 0.000 0.981 22 G CA 0.156 45.114 45.100 -0.236 0.000 0.665 22 G HN 0.570 nan 8.290 nan 0.000 0.528 23 W N 0.073 121.443 121.300 0.117 0.000 2.532 23 W HA 0.735 5.395 4.660 -0.001 0.000 0.321 23 W C 0.347 177.007 176.519 0.236 0.000 1.037 23 W CA -1.518 55.959 57.345 0.218 0.000 1.220 23 W CB 1.202 30.889 29.460 0.378 0.000 1.361 23 W HN -0.104 nan 8.180 nan 0.000 0.468 24 M N 5.445 125.370 119.600 0.542 0.000 2.341 24 M HA 0.222 4.701 4.480 -0.001 0.000 0.336 24 M C -0.461 176.045 176.300 0.343 0.000 1.489 24 M CA 0.324 55.864 55.300 0.400 0.000 1.278 24 M CB -0.619 32.231 32.600 0.418 0.000 1.657 24 M HN 0.284 nan 8.290 nan 0.000 0.455 25 M N 4.635 124.358 119.600 0.206 0.000 2.662 25 M HA 0.561 5.041 4.480 -0.001 0.000 0.310 25 M C -2.370 173.819 176.300 -0.183 0.000 1.204 25 M CA -2.488 52.812 55.300 -0.000 0.000 0.891 25 M CB 1.783 34.423 32.600 0.067 0.000 1.732 25 M HN 0.100 nan 8.290 nan 0.000 0.467 26 P HA 0.151 nan 4.420 nan 0.000 0.281 26 P C 0.622 177.699 177.300 -0.372 0.000 1.286 26 P CA -0.315 62.462 63.100 -0.539 0.000 0.772 26 P CB 0.489 31.627 31.700 -0.938 0.000 0.862 27 L N 4.991 126.023 121.223 -0.319 0.000 2.093 27 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 27 L C 0.650 177.475 176.870 -0.074 0.000 1.085 27 L CA 1.932 56.670 54.840 -0.170 0.000 0.755 27 L CB -0.783 41.222 42.059 -0.090 0.000 0.904 27 L HN 0.637 nan 8.230 nan 0.000 0.435 28 H N -6.247 112.706 119.070 -0.195 0.000 2.887 28 H HA 0.336 4.891 4.556 -0.001 0.000 0.290 28 H C -1.429 173.750 175.328 -0.249 0.000 1.429 28 H CA -0.905 55.080 56.048 -0.104 0.000 1.137 28 H CB -0.160 29.611 29.762 0.016 0.000 1.824 28 H HN -0.128 nan 8.280 nan 0.000 0.520 29 Y N 0.267 120.677 120.300 0.184 0.000 2.699 29 Y HA 0.539 5.089 4.550 -0.001 0.000 0.282 29 Y C 1.354 177.369 175.900 0.192 0.000 1.058 29 Y CA 0.282 58.444 58.100 0.104 0.000 1.194 29 Y CB 1.121 39.630 38.460 0.081 0.000 1.193 29 Y HN 1.175 nan 8.280 nan 0.000 0.562 30 G N -0.121 108.996 108.800 0.528 0.000 2.697 30 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.200 30 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.200 30 G C 0.088 175.074 174.900 0.143 0.000 1.106 30 G CA 0.004 45.279 45.100 0.292 0.000 0.748 30 G HN 0.418 nan 8.290 nan 0.000 0.503 31 S N 0.211 115.986 115.700 0.126 0.000 2.737 31 S HA 0.536 5.006 4.470 -0.001 0.000 0.269 31 S C 0.523 175.134 174.600 0.018 0.000 1.150 31 S CA 0.749 58.946 58.200 -0.005 0.000 1.077 31 S CB 1.463 64.674 63.200 0.019 0.000 1.075 31 S HN 0.511 nan 8.310 nan 0.000 0.476 32 Q N 3.902 123.653 119.800 -0.082 0.000 2.224 32 Q HA -0.036 4.303 4.340 -0.001 0.000 0.203 32 Q C 1.255 177.311 176.000 0.094 0.000 0.970 32 Q CA 1.275 57.099 55.803 0.036 0.000 0.865 32 Q CB 0.033 28.757 28.738 -0.023 0.000 0.922 32 Q HN 0.833 nan 8.270 nan 0.000 0.445 33 I N 1.300 121.901 120.570 0.053 0.000 2.233 33 I HA -0.223 3.947 4.170 -0.001 0.000 0.243 33 I C 1.520 177.734 176.117 0.162 0.000 1.093 33 I CA 1.228 62.587 61.300 0.097 0.000 1.380 33 I CB -0.967 37.054 38.000 0.036 0.000 1.067 33 I HN 0.235 nan 8.210 nan 0.000 0.413 34 D N 0.846 121.311 120.400 0.108 0.000 2.149 34 D HA -0.185 4.455 4.640 -0.001 0.000 0.198 34 D C 2.080 178.467 176.300 0.145 0.000 0.990 34 D CA 1.076 55.153 54.000 0.128 0.000 0.839 34 D CB -0.127 40.714 40.800 0.068 0.000 0.948 34 D HN 0.452 nan 8.370 nan 0.000 0.460 35 E N -0.277 120.001 120.200 0.130 0.000 2.051 35 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 35 E C 2.125 178.793 176.600 0.114 0.000 0.991 35 E CA 0.737 57.195 56.400 0.097 0.000 0.799 35 E CB -0.177 29.607 29.700 0.140 0.000 0.748 35 E HN 0.421 nan 8.360 nan 0.000 0.449 36 H N 0.864 120.001 119.070 0.111 0.000 2.290 36 H HA -0.208 4.348 4.556 -0.001 0.000 0.298 36 H C 2.211 177.592 175.328 0.088 0.000 1.087 36 H CA 1.977 58.092 56.048 0.111 0.000 1.291 36 H CB -0.222 29.603 29.762 0.104 0.000 1.369 36 H HN 0.308 nan 8.280 nan 0.000 0.492 37 H N 0.482 119.601 119.070 0.081 0.000 2.319 37 H HA -0.135 4.420 4.556 -0.001 0.000 0.299 37 H C 2.156 177.446 175.328 -0.064 0.000 1.092 37 H CA 1.654 57.712 56.048 0.018 0.000 1.302 37 H CB -0.115 29.685 29.762 0.062 0.000 1.373 37 H HN 0.496 nan 8.280 nan 0.000 0.497 38 A N 0.410 123.165 122.820 -0.108 0.000 1.917 38 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 38 A C 2.832 180.296 177.584 -0.201 0.000 1.182 38 A CA 1.933 53.872 52.037 -0.164 0.000 0.633 38 A CB -0.876 18.057 19.000 -0.111 0.000 0.819 38 A HN 0.328 nan 8.150 nan 0.000 0.448 39 V N -0.257 119.553 119.914 -0.173 0.000 2.407 39 V HA -0.143 3.976 4.120 -0.001 0.000 0.245 39 V C 2.624 178.612 176.094 -0.177 0.000 1.041 39 V CA 1.618 63.842 62.300 -0.127 0.000 1.040 39 V CB -0.707 31.113 31.823 -0.005 0.000 0.671 39 V HN 0.455 nan 8.190 nan 0.000 0.455 40 R N 0.801 121.135 120.500 -0.275 0.000 2.096 40 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 40 R C 2.217 178.381 176.300 -0.225 0.000 1.127 40 R CA 1.975 57.927 56.100 -0.248 0.000 0.968 40 R CB -0.744 29.388 30.300 -0.279 0.000 0.861 40 R HN 0.713 nan 8.270 nan 0.000 0.440 41 T N -3.644 110.718 114.554 -0.321 0.000 2.985 41 T HA 0.106 4.456 4.350 -0.001 0.000 0.254 41 T C 0.627 175.201 174.700 -0.209 0.000 1.021 41 T CA 0.196 62.122 62.100 -0.290 0.000 0.957 41 T CB 0.578 69.171 68.868 -0.459 0.000 1.047 41 T HN 0.043 nan 8.240 nan 0.000 0.511 42 D N 1.362 121.642 120.400 -0.199 0.000 2.425 42 D HA 0.572 5.212 4.640 -0.001 0.000 0.104 42 D C -1.206 175.008 176.300 -0.143 0.000 1.395 42 D CA 0.605 54.513 54.000 -0.152 0.000 1.447 42 D CB 0.785 41.500 40.800 -0.142 0.000 2.239 42 D HN 0.433 nan 8.370 nan 0.000 0.193 43 A N -0.130 122.598 122.820 -0.153 0.000 2.532 43 A HA 0.693 5.012 4.320 -0.001 0.000 0.296 43 A C -0.358 177.111 177.584 -0.192 0.000 1.058 43 A CA 0.009 51.952 52.037 -0.157 0.000 0.729 43 A CB 1.487 20.389 19.000 -0.164 0.000 1.285 43 A HN 0.506 nan 8.150 nan 0.000 0.396 44 G N 0.795 109.476 108.800 -0.200 0.000 2.680 44 G HA2 0.829 4.789 3.960 -0.001 0.000 0.290 44 G HA3 0.829 4.789 3.960 -0.001 0.000 0.290 44 G C -0.623 174.045 174.900 -0.387 0.000 1.355 44 G CA -0.408 44.499 45.100 -0.321 0.000 0.903 44 G HN 1.504 nan 8.290 nan 0.000 0.474 45 M N -0.744 118.502 119.600 -0.590 0.000 2.531 45 M HA 0.812 5.291 4.480 -0.001 0.000 0.286 45 M C -2.007 173.983 176.300 -0.517 0.000 1.232 45 M CA -0.836 54.196 55.300 -0.447 0.000 0.877 45 M CB 2.541 34.912 32.600 -0.381 0.000 1.726 45 M HN 0.275 nan 8.290 nan 0.000 0.463 46 F N 0.094 120.175 119.950 0.218 0.000 2.529 46 F HA 0.382 4.908 4.527 -0.001 0.000 0.320 46 F C -0.219 175.800 175.800 0.365 0.000 1.118 46 F CA -0.722 57.462 58.000 0.306 0.000 0.915 46 F CB 1.298 40.418 39.000 0.200 0.000 1.161 46 F HN 0.629 nan 8.300 nan 0.000 0.445 47 D N 2.641 123.360 120.400 0.533 0.000 2.349 47 D HA 0.138 4.778 4.640 -0.001 0.000 0.266 47 D C 0.494 176.900 176.300 0.177 0.000 1.293 47 D CA 0.179 54.361 54.000 0.302 0.000 0.926 47 D CB 1.037 41.943 40.800 0.178 0.000 1.090 47 D HN 0.388 nan 8.370 nan 0.000 0.502 48 V N 1.409 121.420 119.914 0.162 0.000 3.099 48 V HA 0.178 4.297 4.120 -0.001 0.000 0.356 48 V C 1.343 177.431 176.094 -0.011 0.000 1.364 48 V CA -0.357 61.992 62.300 0.081 0.000 1.229 48 V CB -0.150 31.745 31.823 0.120 0.000 1.227 48 V HN 0.311 nan 8.190 nan 0.000 0.493 49 S N 0.704 116.335 115.700 -0.114 0.000 2.547 49 S HA -0.048 4.422 4.470 -0.001 0.000 0.235 49 S C 1.258 175.708 174.600 -0.251 0.000 0.980 49 S CA 0.986 59.083 58.200 -0.172 0.000 0.941 49 S CB -0.485 62.575 63.200 -0.233 0.000 0.763 49 S HN 0.827 nan 8.310 nan 0.000 0.532 50 H N 0.428 119.257 119.070 -0.402 0.000 2.519 50 H HA 0.364 4.920 4.556 -0.001 0.000 0.289 50 H C 0.482 175.745 175.328 -0.108 0.000 1.040 50 H CA -0.219 55.479 56.048 -0.583 0.000 1.165 50 H CB -0.289 28.264 29.762 -2.016 0.000 1.462 50 H HN 0.386 nan 8.280 nan 0.000 0.555 51 M N 0.099 119.744 119.600 0.075 0.000 2.202 51 M HA 0.159 4.639 4.480 -0.001 0.000 0.316 51 M C 0.264 176.639 176.300 0.125 0.000 1.138 51 M CA 0.312 55.675 55.300 0.106 0.000 1.151 51 M CB 0.768 33.413 32.600 0.076 0.000 1.422 51 M HN -0.113 nan 8.290 nan 0.000 0.471 52 T N 2.285 116.906 114.554 0.110 0.000 2.770 52 T HA 0.593 4.942 4.350 -0.001 0.000 0.283 52 T C -0.282 174.471 174.700 0.089 0.000 0.988 52 T CA -0.479 61.686 62.100 0.108 0.000 0.957 52 T CB 0.560 69.492 68.868 0.107 0.000 0.930 52 T HN 0.381 nan 8.240 nan 0.000 0.443 53 I N 3.473 124.093 120.570 0.084 0.000 2.336 53 I HA 0.463 4.633 4.170 -0.001 0.000 0.292 53 I C -0.492 175.670 176.117 0.074 0.000 0.991 53 I CA -0.820 60.521 61.300 0.069 0.000 1.227 53 I CB 1.471 39.492 38.000 0.034 0.000 1.366 53 I HN 0.241 nan 8.210 nan 0.000 0.466 54 V N 5.113 125.082 119.914 0.091 0.000 2.409 54 V HA 0.317 4.437 4.120 -0.001 0.000 0.290 54 V C -0.738 175.449 176.094 0.155 0.000 1.017 54 V CA -0.782 61.585 62.300 0.112 0.000 0.841 54 V CB 1.590 33.483 31.823 0.116 0.000 1.003 54 V HN 0.565 nan 8.190 nan 0.000 0.426 55 D N 4.710 125.214 120.400 0.175 0.000 2.210 55 D HA 0.646 5.286 4.640 -0.001 0.000 0.249 55 D C -0.470 175.995 176.300 0.275 0.000 1.078 55 D CA 0.023 54.198 54.000 0.291 0.000 0.875 55 D CB 2.106 43.097 40.800 0.318 0.000 1.175 55 D HN 0.349 nan 8.370 nan 0.000 0.440 56 L N 2.743 124.193 121.223 0.377 0.000 2.376 56 L HA 0.533 4.872 4.340 -0.001 0.000 0.275 56 L C 0.038 177.140 176.870 0.386 0.000 0.987 56 L CA -0.728 54.299 54.840 0.312 0.000 0.828 56 L CB 1.599 43.840 42.059 0.302 0.000 1.249 56 L HN 0.073 nan 8.230 nan 0.000 0.409 57 R N 2.123 122.757 120.500 0.223 0.000 2.686 57 R HA 0.928 5.267 4.340 -0.001 0.000 0.283 57 R C -0.463 175.915 176.300 0.130 0.000 0.978 57 R CA -1.054 55.154 56.100 0.180 0.000 0.897 57 R CB 2.459 32.755 30.300 -0.007 0.000 1.192 57 R HN 0.781 nan 8.270 nan 0.000 0.457 58 G N -0.211 108.679 108.800 0.150 0.000 2.345 58 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.310 58 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.310 58 G C 0.153 175.145 174.900 0.154 0.000 1.476 58 G CA -0.247 44.924 45.100 0.118 0.000 0.978 58 G HN 0.529 nan 8.290 nan 0.000 0.656 59 S N -0.718 115.058 115.700 0.126 0.000 2.481 59 S HA -0.013 4.457 4.470 -0.001 0.000 0.231 59 S C 1.591 176.289 174.600 0.163 0.000 0.996 59 S CA 1.284 59.567 58.200 0.138 0.000 0.942 59 S CB -0.055 63.207 63.200 0.104 0.000 0.768 59 S HN 0.638 nan 8.310 nan 0.000 0.520 60 R N 0.370 120.975 120.500 0.175 0.000 2.432 60 R HA 0.238 4.578 4.340 -0.001 0.000 0.260 60 R C 1.296 177.706 176.300 0.183 0.000 0.935 60 R CA 0.458 56.688 56.100 0.218 0.000 1.080 60 R CB -0.197 30.292 30.300 0.315 0.000 1.155 60 R HN 0.361 nan 8.270 nan 0.000 0.531 61 T N 1.322 115.984 114.554 0.180 0.000 2.684 61 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 61 T C 1.783 176.487 174.700 0.007 0.000 1.036 61 T CA 1.400 63.600 62.100 0.166 0.000 1.148 61 T CB -0.075 68.963 68.868 0.284 0.000 0.863 61 T HN 0.306 nan 8.240 nan 0.000 0.436 62 R N 0.881 121.414 120.500 0.055 0.000 2.070 62 R HA -0.125 4.215 4.340 -0.001 0.000 0.233 62 R C 2.532 178.775 176.300 -0.095 0.000 1.137 62 R CA 1.860 57.905 56.100 -0.092 0.000 0.945 62 R CB -0.252 30.174 30.300 0.210 0.000 0.845 62 R HN 0.540 nan 8.270 nan 0.000 0.430 63 E N -0.324 119.891 120.200 0.024 0.000 2.070 63 E HA -0.259 4.090 4.350 -0.001 0.000 0.197 63 E C 1.809 178.355 176.600 -0.090 0.000 1.004 63 E CA 1.563 57.988 56.400 0.041 0.000 0.805 63 E CB -0.318 29.484 29.700 0.171 0.000 0.744 63 E HN 0.370 nan 8.360 nan 0.000 0.451 64 F N 1.536 121.192 119.950 -0.491 0.000 2.091 64 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 64 F C 1.934 177.475 175.800 -0.431 0.000 1.103 64 F CA 1.629 59.090 58.000 -0.898 0.000 1.228 64 F CB -0.402 38.045 39.000 -0.922 0.000 0.984 64 F HN 0.025 nan 8.300 nan 0.000 0.477 65 L N -0.204 120.640 121.223 -0.631 0.000 2.217 65 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 65 L C 2.547 179.133 176.870 -0.473 0.000 1.107 65 L CA 0.862 55.270 54.840 -0.721 0.000 0.783 65 L CB -0.578 41.085 42.059 -0.660 0.000 0.919 65 L HN 0.054 nan 8.230 nan 0.000 0.442 66 R N -1.135 119.185 120.500 -0.298 0.000 2.148 66 R HA -0.176 4.163 4.340 -0.001 0.000 0.227 66 R C 2.124 178.408 176.300 -0.027 0.000 1.103 66 R CA 1.201 57.210 56.100 -0.152 0.000 0.983 66 R CB -0.250 30.016 30.300 -0.058 0.000 0.874 66 R HN 0.290 nan 8.270 nan 0.000 0.451 67 Y N 0.830 121.026 120.300 -0.173 0.000 2.314 67 Y HA -0.064 4.486 4.550 -0.001 0.000 0.294 67 Y C 1.920 177.748 175.900 -0.120 0.000 1.119 67 Y CA 0.664 58.726 58.100 -0.064 0.000 1.179 67 Y CB -0.141 38.334 38.460 0.025 0.000 1.025 67 Y HN -0.084 nan 8.280 nan 0.000 0.541 68 L N 0.045 120.982 121.223 -0.476 0.000 2.056 68 L HA 0.034 4.374 4.340 -0.001 0.000 0.207 68 L C 0.088 176.714 176.870 -0.406 0.000 1.078 68 L CA 1.435 55.940 54.840 -0.557 0.000 0.749 68 L CB -0.284 41.279 42.059 -0.827 0.000 0.901 68 L HN 0.102 nan 8.230 nan 0.000 0.433 69 L N -2.207 118.761 121.223 -0.425 0.000 2.333 69 L HA 0.492 4.831 4.340 -0.001 0.000 0.269 69 L C 1.053 177.532 176.870 -0.651 0.000 1.010 69 L CA -0.065 54.497 54.840 -0.464 0.000 0.818 69 L CB 1.476 43.266 42.059 -0.448 0.000 1.306 69 L HN -0.128 nan 8.230 nan 0.000 0.430 70 A N 0.995 123.324 122.820 -0.818 0.000 2.030 70 A HA 0.021 4.340 4.320 -0.001 0.000 0.215 70 A C 0.993 177.877 177.584 -1.166 0.000 1.164 70 A CA 0.499 51.660 52.037 -1.461 0.000 0.697 70 A CB -0.252 18.156 19.000 -0.987 0.000 0.827 70 A HN 0.740 nan 8.150 nan 0.000 0.457 71 N N 0.684 118.931 118.700 -0.755 0.000 2.381 71 N HA 0.159 4.899 4.740 -0.001 0.000 0.254 71 N C -1.408 173.819 175.510 -0.472 0.000 1.264 71 N CA -0.136 52.574 53.050 -0.568 0.000 0.942 71 N CB 0.645 38.849 38.487 -0.471 0.000 1.190 71 N HN 0.154 nan 8.380 nan 0.000 0.495 72 D N 0.457 120.659 120.400 -0.330 0.000 2.440 72 D HA 0.146 4.786 4.640 -0.001 0.000 0.239 72 D C 1.025 177.214 176.300 -0.185 0.000 1.084 72 D CA -0.589 53.265 54.000 -0.243 0.000 0.843 72 D CB 1.050 41.748 40.800 -0.169 0.000 1.097 72 D HN 0.277 nan 8.370 nan 0.000 0.531 73 V N 2.533 122.336 119.914 -0.185 0.000 3.141 73 V HA 0.019 4.139 4.120 -0.001 0.000 0.265 73 V C 2.044 178.103 176.094 -0.057 0.000 1.126 73 V CA 1.343 63.577 62.300 -0.111 0.000 1.141 73 V CB -0.909 30.820 31.823 -0.156 0.000 0.743 73 V HN 0.502 nan 8.190 nan 0.000 0.492 74 A N 1.099 123.876 122.820 -0.072 0.000 1.997 74 A HA -0.257 4.063 4.320 -0.001 0.000 0.221 74 A C 2.221 179.751 177.584 -0.091 0.000 1.172 74 A CA 2.347 54.349 52.037 -0.058 0.000 0.645 74 A CB -0.617 18.361 19.000 -0.038 0.000 0.813 74 A HN 0.654 nan 8.150 nan 0.000 0.454 75 K N -0.740 119.602 120.400 -0.098 0.000 2.504 75 K HA 0.129 4.449 4.320 -0.001 0.000 0.195 75 K C -0.311 176.205 176.600 -0.139 0.000 1.036 75 K CA 0.208 56.436 56.287 -0.099 0.000 0.984 75 K CB -0.172 32.275 32.500 -0.088 0.000 0.788 75 K HN 0.448 nan 8.250 nan 0.000 0.488 76 L N 1.736 122.838 121.223 -0.201 0.000 2.270 76 L HA 0.135 4.475 4.340 -0.001 0.000 0.286 76 L C 0.928 177.410 176.870 -0.647 0.000 1.059 76 L CA -0.313 54.337 54.840 -0.318 0.000 0.839 76 L CB 0.893 42.818 42.059 -0.223 0.000 1.221 76 L HN 0.131 nan 8.230 nan 0.000 0.431 77 T N -1.849 112.469 114.554 -0.393 0.000 2.958 77 T HA 0.184 4.534 4.350 -0.001 0.000 0.256 77 T C 0.591 175.276 174.700 -0.025 0.000 0.983 77 T CA -0.335 61.574 62.100 -0.319 0.000 0.924 77 T CB 0.269 69.068 68.868 -0.115 0.000 1.136 77 T HN 0.276 nan 8.240 nan 0.000 0.506 78 K N 2.202 122.669 120.400 0.111 0.000 2.185 78 K HA 0.596 4.915 4.320 -0.001 0.000 0.269 78 K C -0.140 176.760 176.600 0.500 0.000 0.987 78 K CA -0.390 56.090 56.287 0.321 0.000 0.865 78 K CB 1.706 34.449 32.500 0.405 0.000 1.090 78 K HN 0.093 nan 8.250 nan 0.000 0.450 79 S N 1.705 117.675 115.700 0.449 0.000 2.575 79 S HA 0.177 4.647 4.470 -0.001 0.000 0.295 79 S C 1.267 176.130 174.600 0.439 0.000 1.267 79 S CA 1.405 59.812 58.200 0.345 0.000 1.074 79 S CB -0.366 62.952 63.200 0.197 0.000 0.829 79 S HN 0.885 nan 8.310 nan 0.000 0.497 80 G N 3.324 112.344 108.800 0.368 0.000 2.195 80 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.246 80 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.246 80 G C 0.059 175.176 174.900 0.362 0.000 0.984 80 G CA 0.407 45.789 45.100 0.469 0.000 0.633 80 G HN 0.854 nan 8.290 nan 0.000 0.525 81 K N 1.429 121.901 120.400 0.120 0.000 2.382 81 K HA 0.693 5.013 4.320 -0.001 0.000 0.275 81 K C 0.427 176.903 176.600 -0.206 0.000 1.009 81 K CA 0.739 56.742 56.287 -0.473 0.000 0.970 81 K CB 0.729 32.961 32.500 -0.447 0.000 0.934 81 K HN 1.002 nan 8.250 nan 0.000 0.479 82 A N 3.400 126.062 122.820 -0.264 0.000 2.384 82 A HA 0.788 5.108 4.320 -0.001 0.000 0.312 82 A C -1.525 176.053 177.584 -0.010 0.000 1.113 82 A CA -0.763 51.117 52.037 -0.261 0.000 0.779 82 A CB 0.700 19.338 19.000 -0.603 0.000 1.307 82 A HN 0.643 nan 8.150 nan 0.000 0.436 83 L N -1.762 119.456 121.223 -0.009 0.000 2.403 83 L HA 0.795 5.135 4.340 -0.001 0.000 0.253 83 L C -0.898 176.054 176.870 0.137 0.000 1.045 83 L CA -1.071 53.811 54.840 0.069 0.000 0.845 83 L CB 0.925 42.944 42.059 -0.066 0.000 1.447 83 L HN 0.688 nan 8.230 nan 0.000 0.411 84 Y N 0.147 120.431 120.300 -0.027 0.000 2.360 84 Y HA 0.803 5.353 4.550 -0.001 0.000 0.337 84 Y C -0.263 175.483 175.900 -0.256 0.000 1.039 84 Y CA -0.105 57.960 58.100 -0.058 0.000 1.109 84 Y CB 1.681 40.160 38.460 0.032 0.000 1.201 84 Y HN 0.956 nan 8.280 nan 0.000 0.458 85 S N 3.275 118.508 115.700 -0.777 0.000 2.541 85 S HA 0.721 5.190 4.470 -0.001 0.000 0.271 85 S C -0.659 173.485 174.600 -0.760 0.000 1.133 85 S CA -0.276 57.484 58.200 -0.733 0.000 0.876 85 S CB 1.004 63.909 63.200 -0.491 0.000 1.105 85 S HN 1.202 nan 8.310 nan 0.000 0.470 86 G N 1.820 110.226 108.800 -0.656 0.000 2.476 86 G HA2 0.570 4.530 3.960 -0.001 0.000 0.286 86 G HA3 0.570 4.530 3.960 -0.001 0.000 0.286 86 G C -0.722 173.926 174.900 -0.420 0.000 1.177 86 G CA -0.489 44.323 45.100 -0.480 0.000 0.870 86 G HN 0.702 nan 8.290 nan 0.000 0.528 87 M N 1.920 121.304 119.600 -0.360 0.000 2.190 87 M HA 0.590 5.070 4.480 -0.001 0.000 0.312 87 M C -1.469 174.602 176.300 -0.380 0.000 0.990 87 M CA -0.614 54.473 55.300 -0.355 0.000 0.927 87 M CB 1.203 33.600 32.600 -0.337 0.000 1.571 87 M HN 0.300 nan 8.290 nan 0.000 0.427 88 L N 3.448 124.477 121.223 -0.323 0.000 2.341 88 L HA 0.588 4.928 4.340 -0.001 0.000 0.267 88 L C -0.282 176.410 176.870 -0.296 0.000 1.009 88 L CA -1.174 53.502 54.840 -0.273 0.000 0.819 88 L CB 2.110 44.090 42.059 -0.131 0.000 1.323 88 L HN 0.774 nan 8.230 nan 0.000 0.425 89 N N 0.571 119.092 118.700 -0.297 0.000 2.405 89 N HA 0.295 5.034 4.740 -0.001 0.000 0.269 89 N C 0.421 175.947 175.510 0.026 0.000 1.249 89 N CA -0.178 52.809 53.050 -0.105 0.000 0.974 89 N CB 0.818 39.229 38.487 -0.127 0.000 1.204 89 N HN 0.627 nan 8.380 nan 0.000 0.565 90 A N -0.879 122.007 122.820 0.111 0.000 2.235 90 A HA -0.012 4.308 4.320 -0.001 0.000 0.208 90 A C 1.708 179.318 177.584 0.042 0.000 1.172 90 A CA 0.844 52.925 52.037 0.074 0.000 0.786 90 A CB -1.253 17.810 19.000 0.105 0.000 0.804 90 A HN 0.774 nan 8.150 nan 0.000 0.479 91 S N -1.906 113.814 115.700 0.034 0.000 2.561 91 S HA 0.315 4.784 4.470 -0.001 0.000 0.225 91 S C 1.590 176.198 174.600 0.014 0.000 0.977 91 S CA 1.142 59.354 58.200 0.021 0.000 0.926 91 S CB -0.337 62.873 63.200 0.017 0.000 0.769 91 S HN 1.768 nan 8.310 nan 0.000 0.533 92 G N 0.571 109.375 108.800 0.006 0.000 2.225 92 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.254 92 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.254 92 G C 0.513 175.397 174.900 -0.026 0.000 0.988 92 G CA -0.039 45.063 45.100 0.004 0.000 0.625 92 G HN 1.175 nan 8.290 nan 0.000 0.527 93 G N -0.387 108.391 108.800 -0.036 0.000 2.491 93 G HA2 0.515 4.474 3.960 -0.001 0.000 0.238 93 G HA3 0.515 4.474 3.960 -0.001 0.000 0.238 93 G C 0.237 175.084 174.900 -0.089 0.000 1.277 93 G CA 0.408 45.479 45.100 -0.049 0.000 0.851 93 G HN 1.038 nan 8.290 nan 0.000 0.573 94 V N 3.502 123.384 119.914 -0.053 0.000 2.432 94 V HA 0.120 4.239 4.120 -0.001 0.000 0.271 94 V C 1.268 177.365 176.094 0.005 0.000 1.046 94 V CA -0.208 62.067 62.300 -0.042 0.000 0.945 94 V CB 1.055 32.905 31.823 0.045 0.000 0.992 94 V HN 0.709 nan 8.190 nan 0.000 0.471 95 I N 2.128 122.561 120.570 -0.227 0.000 2.277 95 I HA 0.071 4.241 4.170 -0.001 0.000 0.243 95 I C 0.745 176.569 176.117 -0.488 0.000 1.094 95 I CA 1.315 62.400 61.300 -0.359 0.000 1.393 95 I CB 0.223 37.794 38.000 -0.715 0.000 1.078 95 I HN 0.640 nan 8.210 nan 0.000 0.417 96 D N -0.741 119.393 120.400 -0.444 0.000 2.653 96 D HA 0.159 4.798 4.640 -0.001 0.000 0.258 96 D C -1.916 174.220 176.300 -0.273 0.000 1.252 96 D CA -0.572 53.090 54.000 -0.563 0.000 0.777 96 D CB 1.610 42.092 40.800 -0.530 0.000 1.339 96 D HN 0.013 nan 8.370 nan 0.000 0.422 97 D N 0.538 120.844 120.400 -0.157 0.000 2.268 97 D HA 0.651 5.290 4.640 -0.001 0.000 0.249 97 D C -0.183 176.046 176.300 -0.117 0.000 1.008 97 D CA -0.454 53.453 54.000 -0.155 0.000 0.939 97 D CB 1.586 42.387 40.800 0.001 0.000 1.170 97 D HN 0.382 nan 8.370 nan 0.000 0.468 98 L N -2.687 118.439 121.223 -0.162 0.000 2.892 98 L HA 0.596 4.936 4.340 -0.001 0.000 0.269 98 L C -1.466 175.407 176.870 0.004 0.000 1.058 98 L CA -1.128 53.680 54.840 -0.053 0.000 0.923 98 L CB 1.062 43.058 42.059 -0.105 0.000 1.518 98 L HN 0.281 nan 8.230 nan 0.000 0.402 99 I N 1.695 122.284 120.570 0.031 0.000 2.441 99 I HA 0.718 4.888 4.170 -0.001 0.000 0.295 99 I C -0.570 175.488 176.117 -0.098 0.000 0.994 99 I CA -0.824 60.464 61.300 -0.020 0.000 1.144 99 I CB 1.842 39.808 38.000 -0.056 0.000 1.314 99 I HN 0.597 nan 8.210 nan 0.000 0.445 100 V N 7.626 127.430 119.914 -0.182 0.000 2.588 100 V HA 0.533 4.652 4.120 -0.001 0.000 0.304 100 V C -1.592 174.351 176.094 -0.251 0.000 1.042 100 V CA -0.366 61.867 62.300 -0.111 0.000 0.877 100 V CB 2.004 33.787 31.823 -0.066 0.000 0.996 100 V HN 0.531 nan 8.190 nan 0.000 0.425 101 Y N 5.783 126.026 120.300 -0.094 0.000 2.360 101 Y HA 0.508 5.058 4.550 -0.001 0.000 0.337 101 Y C -0.396 175.167 175.900 -0.562 0.000 1.039 101 Y CA -0.509 57.401 58.100 -0.317 0.000 1.109 101 Y CB 1.667 39.840 38.460 -0.478 0.000 1.201 101 Y HN 0.759 nan 8.280 nan 0.000 0.458 102 Y N 3.316 123.309 120.300 -0.511 0.000 2.326 102 Y HA 0.369 4.918 4.550 -0.001 0.000 0.337 102 Y C -0.725 174.654 175.900 -0.869 0.000 1.023 102 Y CA -0.782 56.795 58.100 -0.871 0.000 1.143 102 Y CB 0.433 38.598 38.460 -0.491 0.000 1.183 102 Y HN 0.600 nan 8.280 nan 0.000 0.485 103 F N 1.545 120.845 119.950 -1.083 0.000 2.490 103 F HA 0.235 4.762 4.527 -0.001 0.000 0.280 103 F C 0.970 176.172 175.800 -0.995 0.000 1.030 103 F CA 0.648 58.141 58.000 -0.846 0.000 1.367 103 F CB -0.171 38.333 39.000 -0.827 0.000 1.131 103 F HN 0.495 nan 8.300 nan 0.000 0.632 104 T N -3.341 110.681 114.554 -0.886 0.000 2.816 104 T HA 0.262 4.612 4.350 -0.001 0.000 0.299 104 T C 0.588 175.011 174.700 -0.463 0.000 1.230 104 T CA -0.627 61.116 62.100 -0.596 0.000 1.007 104 T CB 1.909 70.726 68.868 -0.084 0.000 1.289 104 T HN -0.078 nan 8.240 nan 0.000 0.508 105 E N 0.511 120.756 120.200 0.076 0.000 2.233 105 E HA -0.151 4.199 4.350 -0.001 0.000 0.199 105 E C 0.368 177.204 176.600 0.393 0.000 1.004 105 E CA 1.510 58.120 56.400 0.349 0.000 0.819 105 E CB -0.131 29.737 29.700 0.279 0.000 0.738 105 E HN 0.621 nan 8.360 nan 0.000 0.478 106 D N -1.408 119.145 120.400 0.254 0.000 2.440 106 D HA 0.096 4.735 4.640 -0.001 0.000 0.216 106 D C -0.720 175.820 176.300 0.400 0.000 1.150 106 D CA -0.100 54.085 54.000 0.309 0.000 0.832 106 D CB 0.223 41.143 40.800 0.200 0.000 0.992 106 D HN -0.040 nan 8.370 nan 0.000 0.502 107 F N 1.227 121.243 119.950 0.110 0.000 2.787 107 F HA 0.420 4.947 4.527 -0.001 0.000 0.340 107 F C -2.110 173.692 175.800 0.004 0.000 1.232 107 F CA -1.392 56.686 58.000 0.130 0.000 1.051 107 F CB 0.208 39.262 39.000 0.090 0.000 1.330 107 F HN -0.341 nan 8.300 nan 0.000 0.522 108 F N 4.326 124.362 119.950 0.142 0.000 2.620 108 F HA 0.703 5.230 4.527 -0.001 0.000 0.320 108 F C -0.379 175.397 175.800 -0.040 0.000 1.069 108 F CA -0.944 56.966 58.000 -0.150 0.000 0.953 108 F CB 2.116 41.108 39.000 -0.014 0.000 1.322 108 F HN 0.465 nan 8.300 nan 0.000 0.479 109 R N 1.977 122.521 120.500 0.075 0.000 2.621 109 R HA 0.754 5.093 4.340 -0.001 0.000 0.292 109 R C -2.207 174.219 176.300 0.210 0.000 0.969 109 R CA -0.543 55.670 56.100 0.189 0.000 0.887 109 R CB 1.399 31.801 30.300 0.169 0.000 1.180 109 R HN 0.755 nan 8.270 nan 0.000 0.450 110 L N 3.846 125.171 121.223 0.169 0.000 2.325 110 L HA 0.604 4.943 4.340 -0.001 0.000 0.278 110 L C -0.725 176.223 176.870 0.131 0.000 1.023 110 L CA -1.317 53.597 54.840 0.123 0.000 0.811 110 L CB 2.097 44.203 42.059 0.078 0.000 1.249 110 L HN 0.356 nan 8.230 nan 0.000 0.431 111 V N 3.501 123.489 119.914 0.123 0.000 2.409 111 V HA 0.432 4.552 4.120 -0.001 0.000 0.290 111 V C -0.028 176.101 176.094 0.059 0.000 1.017 111 V CA -0.619 61.752 62.300 0.117 0.000 0.841 111 V CB 1.879 33.813 31.823 0.186 0.000 1.003 111 V HN 0.559 nan 8.190 nan 0.000 0.426 112 V N 2.043 121.981 119.914 0.040 0.000 3.019 112 V HA 0.712 4.832 4.120 -0.001 0.000 0.317 112 V C 0.040 176.138 176.094 0.006 0.000 1.094 112 V CA -1.061 61.237 62.300 -0.004 0.000 1.000 112 V CB 2.077 33.883 31.823 -0.028 0.000 1.060 112 V HN 0.653 nan 8.190 nan 0.000 0.443 113 N N 1.315 119.996 118.700 -0.032 0.000 2.453 113 N HA 0.126 4.866 4.740 -0.001 0.000 0.253 113 N C 1.320 176.848 175.510 0.030 0.000 1.252 113 N CA 0.691 53.735 53.050 -0.010 0.000 0.917 113 N CB 1.481 39.937 38.487 -0.053 0.000 1.117 113 N HN 0.917 nan 8.380 nan 0.000 0.442 114 S N 1.395 117.157 115.700 0.103 0.000 2.356 114 S HA -0.147 4.322 4.470 -0.001 0.000 0.223 114 S C 1.788 176.444 174.600 0.094 0.000 1.032 114 S CA 1.522 59.855 58.200 0.222 0.000 1.005 114 S CB -0.149 63.284 63.200 0.387 0.000 0.867 114 S HN 0.667 nan 8.310 nan 0.000 0.449 115 A N 0.360 123.114 122.820 -0.110 0.000 1.969 115 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 115 A C 2.164 179.633 177.584 -0.190 0.000 1.169 115 A CA 2.005 53.844 52.037 -0.329 0.000 0.635 115 A CB -0.980 17.555 19.000 -0.776 0.000 0.810 115 A HN 0.731 nan 8.150 nan 0.000 0.445 116 T N -3.261 111.195 114.554 -0.163 0.000 3.145 116 T HA 0.190 4.539 4.350 -0.001 0.000 0.255 116 T C 1.435 176.074 174.700 -0.102 0.000 1.039 116 T CA 0.302 62.297 62.100 -0.175 0.000 0.928 116 T CB 0.005 68.666 68.868 -0.345 0.000 1.029 116 T HN 0.507 nan 8.240 nan 0.000 0.554 117 R N 1.708 122.184 120.500 -0.040 0.000 2.122 117 R HA -0.186 4.153 4.340 -0.001 0.000 0.236 117 R C 1.928 178.233 176.300 0.009 0.000 1.129 117 R CA 2.039 58.144 56.100 0.008 0.000 0.925 117 R CB -0.203 30.130 30.300 0.055 0.000 0.850 117 R HN 0.272 nan 8.270 nan 0.000 0.431 118 E N 0.627 120.826 120.200 -0.001 0.000 2.072 118 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 118 E C 1.881 178.500 176.600 0.032 0.000 0.985 118 E CA 1.075 57.483 56.400 0.013 0.000 0.801 118 E CB -0.258 29.439 29.700 -0.005 0.000 0.750 118 E HN 0.401 nan 8.360 nan 0.000 0.452 119 K N 0.799 121.207 120.400 0.013 0.000 2.044 119 K HA -0.200 4.120 4.320 -0.001 0.000 0.210 119 K C 1.511 178.156 176.600 0.075 0.000 1.049 119 K CA 1.917 58.224 56.287 0.034 0.000 0.927 119 K CB 0.051 32.535 32.500 -0.028 0.000 0.713 119 K HN -0.069 nan 8.250 nan 0.000 0.443 120 D N 0.577 120.990 120.400 0.021 0.000 2.123 120 D HA -0.103 4.536 4.640 -0.001 0.000 0.200 120 D C 1.995 178.389 176.300 0.157 0.000 0.976 120 D CA 0.830 54.863 54.000 0.054 0.000 0.831 120 D CB -0.120 40.667 40.800 -0.022 0.000 0.974 120 D HN 0.216 nan 8.370 nan 0.000 0.469 121 L N 0.663 121.952 121.223 0.109 0.000 2.046 121 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 121 L C 2.393 179.346 176.870 0.138 0.000 1.077 121 L CA 0.941 55.850 54.840 0.115 0.000 0.747 121 L CB -0.332 41.774 42.059 0.078 0.000 0.896 121 L HN -0.025 nan 8.230 nan 0.000 0.432 122 S N -1.037 114.749 115.700 0.144 0.000 2.368 122 S HA -0.214 4.255 4.470 -0.001 0.000 0.225 122 S C 1.589 176.316 174.600 0.212 0.000 1.030 122 S CA 1.127 59.413 58.200 0.143 0.000 0.999 122 S CB -0.436 62.843 63.200 0.132 0.000 0.844 122 S HN 0.543 nan 8.310 nan 0.000 0.459 123 W N 2.248 123.612 121.300 0.108 0.000 2.358 123 W HA -0.109 4.551 4.660 -0.001 0.000 0.303 123 W C 1.682 178.385 176.519 0.306 0.000 1.208 123 W CA 1.115 58.578 57.345 0.198 0.000 1.274 123 W CB -0.401 29.103 29.460 0.073 0.000 1.138 123 W HN 0.270 nan 8.180 nan 0.000 0.515 124 I N 0.960 121.751 120.570 0.367 0.000 2.202 124 I HA -0.321 3.849 4.170 -0.001 0.000 0.242 124 I C 2.645 178.884 176.117 0.204 0.000 1.091 124 I CA 2.107 63.611 61.300 0.339 0.000 1.368 124 I CB -0.957 37.224 38.000 0.301 0.000 1.058 124 I HN -0.080 nan 8.210 nan 0.000 0.410 125 T N -1.521 113.101 114.554 0.114 0.000 2.821 125 T HA -0.248 4.101 4.350 -0.001 0.000 0.267 125 T C 1.805 176.490 174.700 -0.025 0.000 1.046 125 T CA 1.205 63.320 62.100 0.026 0.000 1.139 125 T CB -0.445 68.436 68.868 0.022 0.000 0.871 125 T HN 0.387 nan 8.240 nan 0.000 0.454 126 Q N 0.388 120.165 119.800 -0.037 0.000 2.050 126 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 126 Q C 2.175 178.025 176.000 -0.249 0.000 0.980 126 Q CA 1.824 57.526 55.803 -0.168 0.000 0.840 126 Q CB -0.220 28.367 28.738 -0.252 0.000 0.898 126 Q HN 0.772 nan 8.270 nan 0.000 0.424 127 H N -0.784 118.218 119.070 -0.114 0.000 2.462 127 H HA 0.081 4.637 4.556 -0.001 0.000 0.292 127 H C 1.705 177.141 175.328 0.180 0.000 1.049 127 H CA 1.178 57.268 56.048 0.070 0.000 1.334 127 H CB 0.036 29.850 29.762 0.086 0.000 1.404 127 H HN 0.408 nan 8.280 nan 0.000 0.544 128 A N 0.587 123.346 122.820 -0.101 0.000 2.014 128 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 128 A C 2.143 179.626 177.584 -0.167 0.000 1.163 128 A CA 1.185 52.810 52.037 -0.688 0.000 0.652 128 A CB -0.278 18.192 19.000 -0.883 0.000 0.808 128 A HN 0.522 nan 8.150 nan 0.000 0.449 129 E N 0.366 120.509 120.200 -0.094 0.000 2.065 129 E HA -0.191 4.158 4.350 -0.001 0.000 0.201 129 E C -0.687 175.864 176.600 -0.082 0.000 1.016 129 E CA 1.788 58.138 56.400 -0.084 0.000 0.818 129 E CB -0.585 29.062 29.700 -0.089 0.000 0.749 129 E HN 0.521 nan 8.360 nan 0.000 0.453 130 P HA -0.079 nan 4.420 nan 0.000 0.237 130 P C 0.400 177.514 177.300 -0.309 0.000 1.178 130 P CA 0.782 63.742 63.100 -0.233 0.000 0.766 130 P CB -0.161 31.335 31.700 -0.340 0.000 0.876 131 F N 0.233 120.105 119.950 -0.131 0.000 2.797 131 F HA 0.326 4.853 4.527 -0.001 0.000 0.302 131 F C 1.681 177.425 175.800 -0.094 0.000 1.130 131 F CA 0.618 58.557 58.000 -0.100 0.000 1.387 131 F CB -0.729 38.197 39.000 -0.124 0.000 1.107 131 F HN -0.018 nan 8.300 nan 0.000 0.577 132 G N 2.087 110.903 108.800 0.028 0.000 2.314 132 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.292 132 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.292 132 G C -0.069 174.839 174.900 0.013 0.000 1.059 132 G CA -0.134 44.968 45.100 0.004 0.000 0.982 132 G HN 0.356 nan 8.290 nan 0.000 0.505 133 I N -0.383 120.177 120.570 -0.017 0.000 2.437 133 I HA 0.335 4.504 4.170 -0.001 0.000 0.298 133 I C 0.682 176.793 176.117 -0.010 0.000 0.984 133 I CA -0.766 60.527 61.300 -0.011 0.000 1.214 133 I CB 1.709 39.654 38.000 -0.091 0.000 1.365 133 I HN 0.289 nan 8.210 nan 0.000 0.469 134 E N 6.520 126.730 120.200 0.016 0.000 2.194 134 E HA 0.387 4.736 4.350 -0.001 0.000 0.284 134 E C -1.199 175.419 176.600 0.030 0.000 1.035 134 E CA -0.402 56.003 56.400 0.009 0.000 0.836 134 E CB 0.767 30.466 29.700 -0.003 0.000 1.070 134 E HN 0.402 nan 8.360 nan 0.000 0.401 135 I N 4.228 124.812 120.570 0.023 0.000 2.382 135 I HA 0.234 4.403 4.170 -0.001 0.000 0.286 135 I C -0.574 175.571 176.117 0.047 0.000 1.002 135 I CA -0.536 60.792 61.300 0.046 0.000 1.135 135 I CB 2.044 40.062 38.000 0.030 0.000 1.288 135 I HN 0.394 nan 8.210 nan 0.000 0.448 136 T N 5.421 120.015 114.554 0.068 0.000 2.809 136 T HA 0.378 4.727 4.350 -0.001 0.000 0.284 136 T C -0.181 174.559 174.700 0.066 0.000 0.992 136 T CA -0.512 61.620 62.100 0.053 0.000 0.957 136 T CB 1.759 70.651 68.868 0.040 0.000 0.942 136 T HN 0.139 nan 8.240 nan 0.000 0.439 137 V N 4.902 124.850 119.914 0.057 0.000 2.408 137 V HA 0.279 4.398 4.120 -0.001 0.000 0.267 137 V C 0.829 176.956 176.094 0.055 0.000 1.047 137 V CA -0.703 61.634 62.300 0.063 0.000 0.937 137 V CB 0.447 32.307 31.823 0.062 0.000 0.999 137 V HN 0.675 nan 8.190 nan 0.000 0.472 138 R N 2.914 123.448 120.500 0.056 0.000 4.680 138 R HA 0.159 4.498 4.340 -0.001 0.000 0.222 138 R C 0.330 176.664 176.300 0.057 0.000 1.803 138 R CA -0.196 55.930 56.100 0.043 0.000 1.560 138 R CB -0.393 29.920 30.300 0.022 0.000 1.412 138 R HN 0.619 nan 8.270 nan 0.000 0.815 139 D N 0.835 121.277 120.400 0.069 0.000 2.371 139 D HA -0.127 4.512 4.640 -0.001 0.000 0.221 139 D C 1.146 177.495 176.300 0.082 0.000 0.986 139 D CA 0.827 54.883 54.000 0.093 0.000 0.899 139 D CB 0.204 41.065 40.800 0.102 0.000 0.902 139 D HN 0.437 nan 8.370 nan 0.000 0.530 140 D N -0.012 120.421 120.400 0.055 0.000 2.378 140 D HA -0.129 4.511 4.640 -0.001 0.000 0.222 140 D C 0.526 176.850 176.300 0.040 0.000 0.980 140 D CA 0.239 54.265 54.000 0.043 0.000 0.907 140 D CB 0.176 40.990 40.800 0.025 0.000 0.899 140 D HN 0.221 nan 8.370 nan 0.000 0.527 141 L N 0.646 121.897 121.223 0.046 0.000 2.346 141 L HA 0.302 4.642 4.340 -0.001 0.000 0.276 141 L C 0.151 177.056 176.870 0.058 0.000 1.006 141 L CA -0.711 54.154 54.840 0.041 0.000 0.817 141 L CB 2.141 44.216 42.059 0.026 0.000 1.272 141 L HN -0.188 nan 8.230 nan 0.000 0.421 142 S N 2.792 118.528 115.700 0.059 0.000 2.693 142 S HA 0.724 5.193 4.470 -0.001 0.000 0.276 142 S C -0.521 174.139 174.600 0.099 0.000 1.192 142 S CA -0.588 57.650 58.200 0.063 0.000 0.994 142 S CB 1.738 64.975 63.200 0.062 0.000 1.012 142 S HN 0.588 nan 8.310 nan 0.000 0.550 143 M N 1.983 121.654 119.600 0.119 0.000 2.322 143 M HA 0.520 5.000 4.480 -0.001 0.000 0.285 143 M C -2.307 174.128 176.300 0.225 0.000 1.119 143 M CA -0.227 55.177 55.300 0.173 0.000 0.953 143 M CB 1.083 33.773 32.600 0.150 0.000 1.701 143 M HN 0.571 nan 8.290 nan 0.000 0.479 144 I N 3.624 124.376 120.570 0.303 0.000 2.436 144 I HA 0.613 4.782 4.170 -0.001 0.000 0.289 144 I C -0.225 176.091 176.117 0.331 0.000 1.010 144 I CA -0.836 60.680 61.300 0.361 0.000 1.098 144 I CB 2.059 40.309 38.000 0.417 0.000 1.266 144 I HN 0.784 nan 8.210 nan 0.000 0.434 145 A N 6.777 129.809 122.820 0.353 0.000 2.260 145 A HA 0.697 5.016 4.320 -0.001 0.000 0.308 145 A C -0.488 177.294 177.584 0.330 0.000 1.254 145 A CA -0.402 51.840 52.037 0.343 0.000 0.874 145 A CB 0.625 19.834 19.000 0.348 0.000 1.153 145 A HN 0.468 nan 8.150 nan 0.000 0.527 146 V N 4.318 124.375 119.914 0.237 0.000 2.384 146 V HA 0.465 4.585 4.120 -0.001 0.000 0.287 146 V C -0.480 175.673 176.094 0.099 0.000 1.020 146 V CA -0.506 61.861 62.300 0.111 0.000 0.850 146 V CB 1.153 33.021 31.823 0.076 0.000 0.987 146 V HN 0.923 nan 8.190 nan 0.000 0.436 147 Q N 2.630 122.480 119.800 0.083 0.000 2.359 147 Q HA 0.806 5.145 4.340 -0.001 0.000 0.274 147 Q C 0.001 176.003 176.000 0.003 0.000 1.074 147 Q CA -0.239 55.617 55.803 0.087 0.000 0.810 147 Q CB 2.809 31.689 28.738 0.238 0.000 1.342 147 Q HN 1.122 nan 8.270 nan 0.000 0.427 148 G N 1.903 110.681 108.800 -0.037 0.000 2.340 148 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.527 148 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.527 148 G C -2.563 172.280 174.900 -0.096 0.000 1.381 148 G CA -0.643 44.411 45.100 -0.076 0.000 1.001 148 G HN 0.331 nan 8.290 nan 0.000 0.626 149 P HA -0.007 nan 4.420 nan 0.000 0.223 149 P C 0.813 178.053 177.300 -0.100 0.000 1.151 149 P CA 0.954 63.999 63.100 -0.092 0.000 0.787 149 P CB 0.169 31.818 31.700 -0.085 0.000 0.788 150 N N -0.726 117.908 118.700 -0.109 0.000 2.203 150 N HA 0.152 4.892 4.740 -0.001 0.000 0.207 150 N C 1.525 176.957 175.510 -0.130 0.000 1.130 150 N CA 0.230 53.213 53.050 -0.112 0.000 0.861 150 N CB -0.089 38.335 38.487 -0.106 0.000 1.005 150 N HN 0.045 nan 8.380 nan 0.000 0.507 151 A N 1.230 123.966 122.820 -0.141 0.000 1.858 151 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 151 A C 2.103 179.582 177.584 -0.176 0.000 1.190 151 A CA 1.247 53.195 52.037 -0.149 0.000 0.617 151 A CB -0.387 18.536 19.000 -0.128 0.000 0.827 151 A HN 0.260 nan 8.150 nan 0.000 0.443 152 Q N -0.619 119.012 119.800 -0.281 0.000 2.084 152 Q HA -0.097 4.243 4.340 -0.001 0.000 0.202 152 Q C 2.456 178.397 176.000 -0.097 0.000 0.978 152 Q CA 1.319 56.898 55.803 -0.372 0.000 0.844 152 Q CB -0.420 27.963 28.738 -0.591 0.000 0.898 152 Q HN 0.676 nan 8.270 nan 0.000 0.426 153 A N 1.755 124.509 122.820 -0.111 0.000 1.865 153 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 153 A C 1.971 179.479 177.584 -0.128 0.000 1.191 153 A CA 1.757 53.738 52.037 -0.093 0.000 0.623 153 A CB -0.378 18.573 19.000 -0.083 0.000 0.826 153 A HN 0.196 nan 8.150 nan 0.000 0.444 154 K N -0.441 119.877 120.400 -0.137 0.000 2.026 154 K HA -0.045 4.274 4.320 -0.001 0.000 0.208 154 K C 2.351 178.830 176.600 -0.201 0.000 1.048 154 K CA 1.159 57.351 56.287 -0.159 0.000 0.929 154 K CB -0.355 32.048 32.500 -0.162 0.000 0.713 154 K HN 0.440 nan 8.250 nan 0.000 0.439 155 A N 1.563 124.269 122.820 -0.191 0.000 1.902 155 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 155 A C 2.378 179.555 177.584 -0.680 0.000 1.181 155 A CA 1.870 53.762 52.037 -0.241 0.000 0.623 155 A CB -0.766 18.254 19.000 0.033 0.000 0.818 155 A HN 0.343 nan 8.150 nan 0.000 0.443 156 A N -0.158 122.237 122.820 -0.708 0.000 2.019 156 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 156 A C 2.332 179.596 177.584 -0.534 0.000 1.164 156 A CA 2.352 53.785 52.037 -1.006 0.000 0.644 156 A CB -1.432 17.373 19.000 -0.326 0.000 0.805 156 A HN 0.860 nan 8.150 nan 0.000 0.449 157 T N -1.736 112.635 114.554 -0.305 0.000 2.977 157 T HA -0.032 4.318 4.350 -0.001 0.000 0.271 157 T C 1.405 176.052 174.700 -0.089 0.000 1.105 157 T CA 1.478 63.488 62.100 -0.149 0.000 1.116 157 T CB -0.482 68.322 68.868 -0.107 0.000 0.878 157 T HN 0.378 nan 8.240 nan 0.000 0.509 158 L N -0.876 120.282 121.223 -0.108 0.000 2.585 158 L HA 0.390 4.729 4.340 -0.001 0.000 0.226 158 L C 0.358 177.408 176.870 0.299 0.000 1.113 158 L CA -0.554 54.354 54.840 0.113 0.000 0.876 158 L CB -0.267 41.940 42.059 0.247 0.000 1.072 158 L HN 0.130 nan 8.230 nan 0.000 0.468 159 F N 1.530 121.524 119.950 0.075 0.000 2.399 159 F HA 0.152 4.679 4.527 -0.001 0.000 0.313 159 F C 1.061 176.863 175.800 0.003 0.000 1.202 159 F CA -1.676 56.334 58.000 0.015 0.000 1.192 159 F CB -0.072 38.923 39.000 -0.008 0.000 1.256 159 F HN 0.109 nan 8.300 nan 0.000 0.558 160 N N -0.169 118.640 118.700 0.182 0.000 2.448 160 N HA 0.094 4.834 4.740 -0.001 0.000 0.274 160 N C 0.237 175.799 175.510 0.087 0.000 1.239 160 N CA -0.390 52.715 53.050 0.091 0.000 0.982 160 N CB 0.128 38.635 38.487 0.032 0.000 1.199 160 N HN 0.314 nan 8.380 nan 0.000 0.576 161 D N -0.376 120.054 120.400 0.049 0.000 2.117 161 D HA -0.090 4.549 4.640 -0.001 0.000 0.197 161 D C 1.708 178.018 176.300 0.017 0.000 0.987 161 D CA 1.957 55.980 54.000 0.039 0.000 0.829 161 D CB -0.662 40.151 40.800 0.021 0.000 0.961 161 D HN 0.701 nan 8.370 nan 0.000 0.460 162 A N 0.630 123.444 122.820 -0.011 0.000 1.933 162 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 162 A C 2.134 179.671 177.584 -0.078 0.000 1.175 162 A CA 1.526 53.537 52.037 -0.042 0.000 0.628 162 A CB -0.568 18.399 19.000 -0.055 0.000 0.814 162 A HN 0.232 nan 8.150 nan 0.000 0.444 163 Q N -0.910 118.828 119.800 -0.105 0.000 2.046 163 Q HA -0.098 4.242 4.340 -0.001 0.000 0.200 163 Q C 2.396 178.326 176.000 -0.116 0.000 0.975 163 Q CA 1.350 57.002 55.803 -0.252 0.000 0.836 163 Q CB -0.154 28.304 28.738 -0.468 0.000 0.896 163 Q HN 0.594 nan 8.270 nan 0.000 0.428 164 R N 0.400 120.970 120.500 0.118 0.000 2.091 164 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 164 R C 2.324 178.675 176.300 0.086 0.000 1.136 164 R CA 1.613 57.841 56.100 0.213 0.000 0.959 164 R CB -0.130 30.278 30.300 0.181 0.000 0.856 164 R HN 0.311 nan 8.270 nan 0.000 0.437 165 Q N 0.064 119.881 119.800 0.029 0.000 2.046 165 Q HA -0.127 4.212 4.340 -0.001 0.000 0.200 165 Q C 2.005 177.990 176.000 -0.025 0.000 0.975 165 Q CA 1.668 57.473 55.803 0.002 0.000 0.836 165 Q CB -0.088 28.644 28.738 -0.010 0.000 0.896 165 Q HN 0.368 nan 8.270 nan 0.000 0.428 166 A N 0.162 122.945 122.820 -0.062 0.000 1.978 166 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 166 A C 1.929 179.459 177.584 -0.089 0.000 1.170 166 A CA 1.736 53.717 52.037 -0.094 0.000 0.636 166 A CB -0.603 18.306 19.000 -0.151 0.000 0.810 166 A HN 0.480 nan 8.150 nan 0.000 0.448 167 V N -2.260 117.617 119.914 -0.062 0.000 3.621 167 V HA 0.217 4.336 4.120 -0.001 0.000 0.285 167 V C 0.525 176.651 176.094 0.053 0.000 1.346 167 V CA 0.246 62.539 62.300 -0.012 0.000 1.104 167 V CB -0.748 31.063 31.823 -0.020 0.000 0.913 167 V HN 0.496 nan 8.190 nan 0.000 0.432 168 E N 1.757 121.977 120.200 0.033 0.000 2.493 168 E HA 0.315 4.664 4.350 -0.001 0.000 0.255 168 E C 1.352 177.961 176.600 0.015 0.000 0.999 168 E CA 0.891 57.314 56.400 0.038 0.000 0.934 168 E CB -0.018 29.694 29.700 0.020 0.000 0.940 168 E HN 0.850 nan 8.360 nan 0.000 0.473 169 G N 4.402 113.222 108.800 0.032 0.000 2.148 169 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.254 169 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.254 169 G C 0.325 175.227 174.900 0.003 0.000 0.981 169 G CA 0.389 45.497 45.100 0.014 0.000 0.670 169 G HN 0.609 nan 8.290 nan 0.000 0.528 170 M N 0.839 120.453 119.600 0.024 0.000 2.269 170 M HA 0.356 4.836 4.480 -0.001 0.000 0.350 170 M C 0.912 177.248 176.300 0.060 0.000 1.429 170 M CA 0.436 55.728 55.300 -0.013 0.000 1.063 170 M CB 0.244 32.874 32.600 0.049 0.000 1.841 170 M HN 0.215 nan 8.290 nan 0.000 0.455 171 K N 5.289 125.706 120.400 0.028 0.000 2.180 171 K HA 0.333 4.652 4.320 -0.001 0.000 0.251 171 K C -2.404 174.433 176.600 0.395 0.000 1.014 171 K CA -1.305 55.108 56.287 0.210 0.000 0.913 171 K CB 0.079 32.722 32.500 0.239 0.000 1.008 171 K HN 0.394 nan 8.250 nan 0.000 0.490 172 P HA -0.045 nan 4.420 nan 0.000 0.268 172 P C -0.806 176.792 177.300 0.497 0.000 1.208 172 P CA 0.214 63.538 63.100 0.374 0.000 0.777 172 P CB 0.168 32.054 31.700 0.310 0.000 0.875 173 F N -1.335 118.713 119.950 0.163 0.000 2.985 173 F HA -0.187 4.340 4.527 -0.001 0.000 0.303 173 F C -0.380 175.381 175.800 -0.066 0.000 0.976 173 F CA 0.890 58.913 58.000 0.040 0.000 1.013 173 F CB -2.053 36.913 39.000 -0.056 0.000 1.060 173 F HN 0.131 nan 8.300 nan 0.000 0.780 174 F N -0.386 119.679 119.950 0.192 0.000 2.588 174 F HA 0.770 5.297 4.527 -0.001 0.000 0.314 174 F C 0.565 176.497 175.800 0.219 0.000 1.069 174 F CA -0.650 57.478 58.000 0.213 0.000 0.931 174 F CB 2.221 41.310 39.000 0.149 0.000 1.260 174 F HN -0.004 nan 8.300 nan 0.000 0.465 175 G N 0.994 110.056 108.800 0.437 0.000 2.638 175 G HA2 0.608 4.568 3.960 -0.001 0.000 0.302 175 G HA3 0.608 4.568 3.960 -0.001 0.000 0.302 175 G C -2.332 172.479 174.900 -0.148 0.000 1.365 175 G CA -0.897 44.131 45.100 -0.120 0.000 0.987 175 G HN 0.668 nan 8.290 nan 0.000 0.495 176 V N 1.193 120.761 119.914 -0.578 0.000 2.808 176 V HA 0.644 4.764 4.120 -0.001 0.000 0.308 176 V C -1.008 174.883 176.094 -0.339 0.000 1.099 176 V CA -0.842 61.305 62.300 -0.255 0.000 0.920 176 V CB 2.154 33.890 31.823 -0.145 0.000 1.014 176 V HN 0.846 nan 8.190 nan 0.000 0.425 177 Q N 4.071 123.831 119.800 -0.066 0.000 2.288 177 Q HA 0.738 5.078 4.340 -0.001 0.000 0.258 177 Q C -0.462 175.459 176.000 -0.132 0.000 0.957 177 Q CA 0.540 56.321 55.803 -0.037 0.000 0.919 177 Q CB 1.499 30.213 28.738 -0.040 0.000 1.185 177 Q HN 1.105 nan 8.270 nan 0.000 0.408 178 A N 4.055 126.767 122.820 -0.179 0.000 2.651 178 A HA 0.684 5.003 4.320 -0.001 0.000 0.290 178 A C 0.390 177.861 177.584 -0.189 0.000 1.185 178 A CA 0.020 51.938 52.037 -0.197 0.000 0.746 178 A CB 0.138 18.971 19.000 -0.278 0.000 1.213 178 A HN 1.146 nan 8.150 nan 0.000 0.429 179 G N 2.807 111.527 108.800 -0.134 0.000 2.583 179 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.292 179 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.292 179 G C 0.678 175.507 174.900 -0.117 0.000 1.203 179 G CA 0.991 46.021 45.100 -0.117 0.000 0.987 179 G HN 1.301 nan 8.290 nan 0.000 0.554 180 D N 0.763 121.087 120.400 -0.126 0.000 2.347 180 D HA 0.060 4.700 4.640 -0.001 0.000 0.215 180 D C 1.292 177.506 176.300 -0.143 0.000 0.976 180 D CA 0.652 54.582 54.000 -0.117 0.000 0.884 180 D CB -0.061 40.670 40.800 -0.115 0.000 0.915 180 D HN 0.511 nan 8.370 nan 0.000 0.526 181 L N 0.476 121.581 121.223 -0.196 0.000 2.307 181 L HA 0.375 4.714 4.340 -0.001 0.000 0.284 181 L C -0.829 175.953 176.870 -0.147 0.000 1.023 181 L CA -1.124 53.577 54.840 -0.232 0.000 0.810 181 L CB 1.579 43.385 42.059 -0.422 0.000 1.231 181 L HN -0.141 nan 8.230 nan 0.000 0.423 182 F N 5.076 124.894 119.950 -0.221 0.000 2.388 182 F HA 0.579 5.105 4.527 -0.001 0.000 0.358 182 F C -0.439 175.249 175.800 -0.188 0.000 1.122 182 F CA -0.485 57.389 58.000 -0.210 0.000 1.056 182 F CB 0.746 39.636 39.000 -0.183 0.000 1.155 182 F HN 0.205 nan 8.300 nan 0.000 0.461 183 I N 6.107 126.222 120.570 -0.758 0.000 2.406 183 I HA 0.686 4.855 4.170 -0.001 0.000 0.290 183 I C -0.548 175.200 176.117 -0.614 0.000 0.999 183 I CA -0.705 60.248 61.300 -0.578 0.000 1.124 183 I CB 1.709 39.320 38.000 -0.648 0.000 1.289 183 I HN 0.720 nan 8.210 nan 0.000 0.441 184 A N 2.911 125.565 122.820 -0.277 0.000 2.393 184 A HA 0.675 4.995 4.320 -0.001 0.000 0.306 184 A C -0.010 177.694 177.584 0.200 0.000 1.050 184 A CA -0.625 51.370 52.037 -0.070 0.000 0.724 184 A CB 1.207 20.226 19.000 0.032 0.000 1.248 184 A HN 0.720 nan 8.150 nan 0.000 0.424 185 T N 0.408 115.100 114.554 0.231 0.000 4.098 185 T HA 0.474 4.823 4.350 -0.001 0.000 0.291 185 T C 0.328 175.060 174.700 0.054 0.000 1.440 185 T CA 0.261 62.501 62.100 0.233 0.000 1.164 185 T CB -1.285 67.747 68.868 0.272 0.000 1.313 185 T HN 1.062 nan 8.240 nan 0.000 0.951 186 T N -1.395 113.165 114.554 0.010 0.000 2.887 186 T HA 0.912 5.262 4.350 -0.001 0.000 0.292 186 T C -0.063 174.655 174.700 0.030 0.000 1.087 186 T CA -0.609 61.397 62.100 -0.157 0.000 1.009 186 T CB 2.179 70.879 68.868 -0.279 0.000 1.203 186 T HN 0.849 nan 8.240 nan 0.000 0.518 187 G N -0.824 108.012 108.800 0.060 0.000 2.349 187 G HA2 0.427 4.386 3.960 -0.001 0.000 0.294 187 G HA3 0.427 4.386 3.960 -0.001 0.000 0.294 187 G C -2.023 172.990 174.900 0.188 0.000 1.380 187 G CA -0.654 44.518 45.100 0.121 0.000 0.811 187 G HN 0.751 nan 8.290 nan 0.000 0.519 188 Y N 0.898 121.182 120.300 -0.026 0.000 2.698 188 Y HA 0.414 4.964 4.550 -0.001 0.000 0.261 188 Y C 1.599 177.453 175.900 -0.076 0.000 1.104 188 Y CA 0.284 58.353 58.100 -0.052 0.000 1.145 188 Y CB 0.448 38.851 38.460 -0.094 0.000 1.191 188 Y HN 0.781 nan 8.280 nan 0.000 0.564 189 T N -5.567 108.981 114.554 -0.011 0.000 2.992 189 T HA 0.343 4.693 4.350 -0.001 0.000 0.255 189 T C 1.552 176.227 174.700 -0.042 0.000 0.938 189 T CA 0.509 62.572 62.100 -0.061 0.000 0.895 189 T CB 0.257 69.126 68.868 0.001 0.000 1.221 189 T HN 0.470 nan 8.240 nan 0.000 0.512 190 G N 1.270 110.062 108.800 -0.013 0.000 2.176 190 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.253 190 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.253 190 G C -0.147 174.747 174.900 -0.010 0.000 0.979 190 G CA 0.226 45.318 45.100 -0.013 0.000 0.641 190 G HN 0.622 nan 8.290 nan 0.000 0.530 191 E N -0.080 120.118 120.200 -0.003 0.000 2.259 191 E HA 0.775 5.125 4.350 -0.001 0.000 0.257 191 E C 0.798 177.396 176.600 -0.003 0.000 0.998 191 E CA 0.039 56.430 56.400 -0.015 0.000 0.866 191 E CB 1.360 31.044 29.700 -0.027 0.000 1.220 191 E HN 0.666 nan 8.360 nan 0.000 0.415 192 A N -0.268 122.535 122.820 -0.029 0.000 2.280 192 A HA 0.710 5.029 4.320 -0.001 0.000 0.268 192 A C 0.481 178.017 177.584 -0.080 0.000 1.111 192 A CA 0.680 52.689 52.037 -0.047 0.000 0.814 192 A CB 0.243 19.198 19.000 -0.075 0.000 1.093 192 A HN 0.616 nan 8.150 nan 0.000 0.498 193 G N -2.126 106.578 108.800 -0.161 0.000 2.369 193 G HA2 0.437 4.396 3.960 -0.001 0.000 0.293 193 G HA3 0.437 4.396 3.960 -0.001 0.000 0.293 193 G C -1.796 172.988 174.900 -0.194 0.000 1.301 193 G CA -0.771 44.213 45.100 -0.193 0.000 0.913 193 G HN 0.848 nan 8.290 nan 0.000 0.540 194 Y N 0.153 120.517 120.300 0.106 0.000 2.536 194 Y HA 0.664 5.214 4.550 -0.001 0.000 0.347 194 Y C 0.277 176.262 175.900 0.142 0.000 1.000 194 Y CA -1.044 57.130 58.100 0.122 0.000 1.051 194 Y CB 2.223 40.785 38.460 0.170 0.000 1.259 194 Y HN 0.531 nan 8.280 nan 0.000 0.468 195 E N 2.706 123.094 120.200 0.313 0.000 2.166 195 E HA 0.587 4.936 4.350 -0.001 0.000 0.275 195 E C -1.227 175.513 176.600 0.233 0.000 0.941 195 E CA -0.505 56.053 56.400 0.264 0.000 0.784 195 E CB 1.905 31.739 29.700 0.224 0.000 1.115 195 E HN 0.448 nan 8.360 nan 0.000 0.399 196 I N 2.509 123.239 120.570 0.266 0.000 2.439 196 I HA 0.381 4.550 4.170 -0.001 0.000 0.283 196 I C -0.336 175.913 176.117 0.220 0.000 1.023 196 I CA -0.617 60.817 61.300 0.224 0.000 1.100 196 I CB 1.686 39.892 38.000 0.343 0.000 1.238 196 I HN 0.463 nan 8.210 nan 0.000 0.445 197 A N 8.009 130.951 122.820 0.203 0.000 2.303 197 A HA 0.993 5.312 4.320 -0.001 0.000 0.317 197 A C -0.557 177.068 177.584 0.069 0.000 1.149 197 A CA -0.411 51.719 52.037 0.154 0.000 0.822 197 A CB 1.167 20.257 19.000 0.149 0.000 1.131 197 A HN 0.800 nan 8.150 nan 0.000 0.493 198 L N -1.407 119.839 121.223 0.038 0.000 2.775 198 L HA 0.689 5.029 4.340 -0.001 0.000 0.263 198 L C -3.182 173.690 176.870 0.003 0.000 1.017 198 L CA -2.403 52.423 54.840 -0.023 0.000 0.891 198 L CB 1.629 43.625 42.059 -0.105 0.000 1.482 198 L HN 0.314 nan 8.230 nan 0.000 0.410 199 P HA 0.147 nan 4.420 nan 0.000 0.266 199 P C -0.055 177.261 177.300 0.027 0.000 1.195 199 P CA -0.042 63.062 63.100 0.006 0.000 0.768 199 P CB 0.447 32.144 31.700 -0.005 0.000 0.838 200 N N 2.804 121.526 118.700 0.036 0.000 2.096 200 N HA -0.219 4.520 4.740 -0.001 0.000 0.195 200 N C 1.250 176.785 175.510 0.042 0.000 1.017 200 N CA 1.550 54.626 53.050 0.045 0.000 0.870 200 N CB -0.443 38.075 38.487 0.051 0.000 1.024 200 N HN 0.600 nan 8.380 nan 0.000 0.434 201 E N 0.746 120.966 120.200 0.035 0.000 2.478 201 E HA -0.066 4.284 4.350 -0.001 0.000 0.198 201 E C 0.903 177.527 176.600 0.039 0.000 1.046 201 E CA 0.718 57.138 56.400 0.034 0.000 0.870 201 E CB -0.128 29.587 29.700 0.026 0.000 0.818 201 E HN 0.407 nan 8.360 nan 0.000 0.527 202 K N 0.183 120.608 120.400 0.042 0.000 2.354 202 K HA 0.285 4.604 4.320 -0.001 0.000 0.194 202 K C 1.955 178.624 176.600 0.114 0.000 1.038 202 K CA 0.467 56.786 56.287 0.055 0.000 1.052 202 K CB 0.421 32.927 32.500 0.010 0.000 0.861 202 K HN 0.091 nan 8.250 nan 0.000 0.535 203 A N 1.776 124.664 122.820 0.114 0.000 1.883 203 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 203 A C 2.364 180.072 177.584 0.207 0.000 1.186 203 A CA 2.045 54.188 52.037 0.177 0.000 0.624 203 A CB -0.595 18.471 19.000 0.109 0.000 0.822 203 A HN 0.295 nan 8.150 nan 0.000 0.444 204 A N -0.225 122.664 122.820 0.116 0.000 1.902 204 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 204 A C 1.794 179.486 177.584 0.180 0.000 1.181 204 A CA 1.924 54.021 52.037 0.101 0.000 0.623 204 A CB -0.586 18.435 19.000 0.035 0.000 0.818 204 A HN 0.457 nan 8.150 nan 0.000 0.443 205 D N -1.167 119.334 120.400 0.169 0.000 2.117 205 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 205 D C 1.573 178.023 176.300 0.249 0.000 0.987 205 D CA 1.006 55.108 54.000 0.171 0.000 0.829 205 D CB -0.415 40.468 40.800 0.138 0.000 0.961 205 D HN 0.392 nan 8.370 nan 0.000 0.460 206 F N 0.577 120.591 119.950 0.107 0.000 2.171 206 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 206 F C 2.129 178.008 175.800 0.133 0.000 1.090 206 F CA 1.023 59.090 58.000 0.113 0.000 1.293 206 F CB -0.375 38.700 39.000 0.125 0.000 1.013 206 F HN 0.108 nan 8.300 nan 0.000 0.486 207 W N 1.511 122.806 121.300 -0.008 0.000 2.355 207 W HA -0.210 4.450 4.660 -0.001 0.000 0.309 207 W C 2.385 178.821 176.519 -0.139 0.000 1.206 207 W CA 1.898 59.160 57.345 -0.138 0.000 1.284 207 W CB -0.636 28.767 29.460 -0.094 0.000 1.145 207 W HN 0.001 nan 8.180 nan 0.000 0.502 208 R N 0.330 120.928 120.500 0.162 0.000 2.113 208 R HA -0.214 4.125 4.340 -0.001 0.000 0.244 208 R C 2.527 178.785 176.300 -0.070 0.000 1.142 208 R CA 2.361 58.490 56.100 0.048 0.000 0.953 208 R CB -0.996 29.352 30.300 0.080 0.000 0.860 208 R HN 0.174 nan 8.270 nan 0.000 0.438 209 A N 1.014 123.802 122.820 -0.054 0.000 1.883 209 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 209 A C 2.202 179.653 177.584 -0.223 0.000 1.186 209 A CA 1.322 53.307 52.037 -0.086 0.000 0.624 209 A CB -0.618 18.391 19.000 0.014 0.000 0.822 209 A HN 0.208 nan 8.150 nan 0.000 0.444 210 L N -0.586 120.399 121.223 -0.397 0.000 2.079 210 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 210 L C 2.534 179.131 176.870 -0.455 0.000 1.081 210 L CA 1.089 55.629 54.840 -0.500 0.000 0.752 210 L CB -0.616 41.020 42.059 -0.704 0.000 0.896 210 L HN 0.253 nan 8.230 nan 0.000 0.433 211 V N -0.399 119.230 119.914 -0.475 0.000 2.237 211 V HA -0.284 3.836 4.120 -0.001 0.000 0.245 211 V C 2.624 178.569 176.094 -0.248 0.000 1.046 211 V CA 1.957 64.019 62.300 -0.397 0.000 1.007 211 V CB -0.540 31.088 31.823 -0.325 0.000 0.638 211 V HN 0.495 nan 8.190 nan 0.000 0.445 212 E N 0.622 120.711 120.200 -0.185 0.000 2.097 212 E HA -0.260 4.090 4.350 -0.001 0.000 0.196 212 E C 2.067 178.586 176.600 -0.134 0.000 1.000 212 E CA 1.803 58.126 56.400 -0.128 0.000 0.804 212 E CB -0.225 29.421 29.700 -0.089 0.000 0.740 212 E HN 0.545 nan 8.360 nan 0.000 0.454 213 A N -0.384 122.337 122.820 -0.165 0.000 2.239 213 A HA 0.146 4.466 4.320 -0.001 0.000 0.209 213 A C 1.582 179.067 177.584 -0.164 0.000 1.171 213 A CA 1.338 53.282 52.037 -0.155 0.000 0.768 213 A CB -0.386 18.511 19.000 -0.172 0.000 0.790 213 A HN 0.435 nan 8.150 nan 0.000 0.478 214 G N -1.947 106.742 108.800 -0.184 0.000 2.134 214 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.209 214 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.209 214 G C -0.025 174.750 174.900 -0.208 0.000 0.993 214 G CA -0.056 44.941 45.100 -0.172 0.000 0.669 214 G HN 0.786 nan 8.290 nan 0.000 0.519 215 V N 1.178 120.926 119.914 -0.276 0.000 2.406 215 V HA 0.422 4.542 4.120 -0.001 0.000 0.272 215 V C 0.858 176.719 176.094 -0.388 0.000 1.043 215 V CA -0.501 61.605 62.300 -0.323 0.000 0.915 215 V CB 1.569 33.167 31.823 -0.375 0.000 0.988 215 V HN 0.386 nan 8.190 nan 0.000 0.466 216 K N 6.493 126.689 120.400 -0.339 0.000 2.276 216 K HA 0.329 4.649 4.320 -0.001 0.000 0.283 216 K C -2.537 173.777 176.600 -0.476 0.000 1.044 216 K CA -1.788 54.291 56.287 -0.347 0.000 0.944 216 K CB 1.049 33.410 32.500 -0.232 0.000 1.012 216 K HN 0.357 nan 8.250 nan 0.000 0.472 217 P HA 0.024 nan 4.420 nan 0.000 0.266 217 P C -1.068 175.899 177.300 -0.555 0.000 1.215 217 P CA -0.297 62.376 63.100 -0.712 0.000 0.763 217 P CB 0.452 31.488 31.700 -1.106 0.000 0.806 218 C N 3.935 123.055 119.300 -0.300 0.000 2.455 218 C HA 0.776 5.235 4.460 -0.001 0.000 0.320 218 C C 1.046 176.192 174.990 0.260 0.000 1.226 218 C CA -0.256 58.686 59.018 -0.127 0.000 1.569 218 C CB 1.462 28.755 27.740 -0.745 0.000 2.200 218 C HN 0.651 nan 8.230 nan 0.000 0.491 219 G N 1.167 110.193 108.800 0.378 0.000 2.552 219 G HA2 0.526 4.486 3.960 -0.001 0.000 0.318 219 G HA3 0.526 4.486 3.960 -0.001 0.000 0.318 219 G C 0.717 175.772 174.900 0.258 0.000 1.240 219 G CA -0.661 44.588 45.100 0.249 0.000 1.002 219 G HN 0.770 nan 8.290 nan 0.000 0.493 220 L N 0.291 121.546 121.223 0.054 0.000 2.081 220 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 220 L C 3.045 179.935 176.870 0.032 0.000 1.080 220 L CA 1.535 56.346 54.840 -0.048 0.000 0.754 220 L CB -0.536 41.328 42.059 -0.323 0.000 0.893 220 L HN 0.685 nan 8.230 nan 0.000 0.433 221 G N -0.497 108.351 108.800 0.081 0.000 2.433 221 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.216 221 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.216 221 G C 1.785 176.767 174.900 0.136 0.000 1.186 221 G CA 0.777 45.935 45.100 0.097 0.000 0.779 221 G HN 0.464 nan 8.290 nan 0.000 0.543 222 A N 0.730 123.676 122.820 0.210 0.000 1.940 222 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 222 A C 2.317 180.061 177.584 0.267 0.000 1.176 222 A CA 1.982 54.183 52.037 0.274 0.000 0.631 222 A CB -0.493 18.707 19.000 0.334 0.000 0.814 222 A HN 0.402 nan 8.150 nan 0.000 0.446 223 R N -0.273 120.390 120.500 0.271 0.000 2.083 223 R HA -0.228 4.112 4.340 -0.001 0.000 0.237 223 R C 1.895 178.177 176.300 -0.030 0.000 1.137 223 R CA 2.170 58.276 56.100 0.009 0.000 0.951 223 R CB -0.507 29.749 30.300 -0.073 0.000 0.851 223 R HN 0.494 nan 8.270 nan 0.000 0.434 224 D N -0.752 119.667 120.400 0.031 0.000 2.104 224 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 224 D C 1.508 177.802 176.300 -0.010 0.000 0.994 224 D CA 2.034 56.044 54.000 0.016 0.000 0.830 224 D CB -0.071 40.763 40.800 0.056 0.000 0.959 224 D HN 0.255 nan 8.370 nan 0.000 0.452 225 T N 0.033 114.610 114.554 0.038 0.000 2.746 225 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 225 T C 2.058 176.783 174.700 0.040 0.000 1.039 225 T CA 0.878 62.995 62.100 0.029 0.000 1.142 225 T CB -0.276 68.623 68.868 0.052 0.000 0.866 225 T HN 0.148 nan 8.240 nan 0.000 0.444 226 L N 1.036 122.303 121.223 0.072 0.000 2.056 226 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 226 L C 2.771 179.578 176.870 -0.105 0.000 1.078 226 L CA 1.393 56.249 54.840 0.027 0.000 0.749 226 L CB -0.470 41.592 42.059 0.005 0.000 0.901 226 L HN 0.270 nan 8.230 nan 0.000 0.433 227 R N 0.093 120.436 120.500 -0.261 0.000 2.092 227 R HA -0.147 4.192 4.340 -0.001 0.000 0.231 227 R C 2.030 178.186 176.300 -0.239 0.000 1.119 227 R CA 1.194 57.003 56.100 -0.486 0.000 0.970 227 R CB -1.127 28.422 30.300 -1.251 0.000 0.864 227 R HN 0.153 nan 8.270 nan 0.000 0.440 228 L N 1.460 122.605 121.223 -0.130 0.000 2.027 228 L HA -0.007 4.333 4.340 -0.001 0.000 0.206 228 L C 1.784 178.704 176.870 0.083 0.000 1.074 228 L CA 1.800 56.631 54.840 -0.016 0.000 0.745 228 L CB -0.869 41.167 42.059 -0.038 0.000 0.898 228 L HN 0.336 nan 8.230 nan 0.000 0.433 229 E N -0.255 119.959 120.200 0.025 0.000 2.147 229 E HA -0.256 4.093 4.350 -0.001 0.000 0.199 229 E C 1.886 178.598 176.600 0.186 0.000 1.005 229 E CA 1.393 57.866 56.400 0.121 0.000 0.810 229 E CB -0.296 29.444 29.700 0.067 0.000 0.736 229 E HN 0.636 nan 8.360 nan 0.000 0.460 230 A N 0.048 122.901 122.820 0.054 0.000 2.238 230 A HA 0.232 4.551 4.320 -0.001 0.000 0.208 230 A C 1.621 179.204 177.584 -0.002 0.000 1.177 230 A CA 0.765 52.805 52.037 0.006 0.000 0.804 230 A CB -0.283 18.683 19.000 -0.057 0.000 0.823 230 A HN 0.335 nan 8.150 nan 0.000 0.482 231 G N -1.114 107.722 108.800 0.061 0.000 2.176 231 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.252 231 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.252 231 G C 0.016 174.930 174.900 0.024 0.000 1.024 231 G CA 0.596 45.716 45.100 0.034 0.000 0.755 231 G HN 0.439 nan 8.290 nan 0.000 0.507 232 M N 0.306 119.907 119.600 0.002 0.000 2.300 232 M HA 0.352 4.831 4.480 -0.001 0.000 0.348 232 M C 0.178 176.544 176.300 0.109 0.000 1.151 232 M CA -0.931 54.391 55.300 0.036 0.000 1.046 232 M CB 1.014 33.589 32.600 -0.042 0.000 1.647 232 M HN 0.056 nan 8.290 nan 0.000 0.451 233 N N 2.067 120.897 118.700 0.217 0.000 2.508 233 N HA 0.296 5.035 4.740 -0.001 0.000 0.264 233 N C -1.177 174.529 175.510 0.327 0.000 1.216 233 N CA -0.287 52.908 53.050 0.241 0.000 0.943 233 N CB 0.767 39.409 38.487 0.258 0.000 1.113 233 N HN 0.434 nan 8.380 nan 0.000 0.447 234 L N 3.075 124.457 121.223 0.264 0.000 2.298 234 L HA 0.313 4.652 4.340 -0.001 0.000 0.284 234 L C -0.774 176.224 176.870 0.214 0.000 1.013 234 L CA -0.793 54.232 54.840 0.308 0.000 0.824 234 L CB 0.310 42.543 42.059 0.290 0.000 1.221 234 L HN 0.406 nan 8.230 nan 0.000 0.418 235 Y N 5.579 125.962 120.300 0.139 0.000 2.904 235 Y HA 0.311 4.860 4.550 -0.001 0.000 0.336 235 Y C 1.452 177.389 175.900 0.062 0.000 1.263 235 Y CA 1.706 59.848 58.100 0.069 0.000 1.547 235 Y CB 0.717 39.188 38.460 0.018 0.000 1.272 235 Y HN 0.929 nan 8.280 nan 0.000 0.596 236 G N 3.335 111.668 108.800 -0.779 0.000 2.258 236 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.233 236 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.233 236 G C 0.792 175.588 174.900 -0.173 0.000 1.006 236 G CA 0.631 45.505 45.100 -0.376 0.000 0.620 236 G HN 0.609 nan 8.290 nan 0.000 0.511 237 Q N -0.997 118.740 119.800 -0.105 0.000 2.652 237 Q HA 0.233 4.573 4.340 -0.001 0.000 0.211 237 Q C 1.994 177.978 176.000 -0.026 0.000 0.858 237 Q CA 0.619 56.410 55.803 -0.019 0.000 0.895 237 Q CB 0.122 28.892 28.738 0.055 0.000 1.194 237 Q HN 0.299 nan 8.270 nan 0.000 0.645 238 E N 0.466 120.663 120.200 -0.004 0.000 2.274 238 E HA -0.012 4.338 4.350 -0.001 0.000 0.194 238 E C 0.527 177.107 176.600 -0.033 0.000 0.996 238 E CA 0.774 57.182 56.400 0.014 0.000 0.840 238 E CB 0.373 30.116 29.700 0.072 0.000 0.772 238 E HN 0.239 nan 8.360 nan 0.000 0.491 239 M N -0.572 118.948 119.600 -0.134 0.000 2.643 239 M HA 0.479 4.958 4.480 -0.001 0.000 0.276 239 M C -1.855 174.173 176.300 -0.453 0.000 1.200 239 M CA -0.856 54.336 55.300 -0.180 0.000 0.863 239 M CB 1.850 34.404 32.600 -0.077 0.000 1.711 239 M HN -0.089 nan 8.290 nan 0.000 0.492 240 D N 0.862 121.066 120.400 -0.326 0.000 3.103 240 D HA 0.352 4.991 4.640 -0.001 0.000 0.337 240 D C -0.006 176.253 176.300 -0.068 0.000 1.356 240 D CA -0.258 53.519 54.000 -0.372 0.000 0.951 240 D CB 0.280 40.853 40.800 -0.378 0.000 1.438 240 D HN 0.576 nan 8.370 nan 0.000 0.562 241 E N -0.793 119.411 120.200 0.006 0.000 2.331 241 E HA -0.037 4.313 4.350 -0.001 0.000 0.199 241 E C 1.488 178.073 176.600 -0.024 0.000 1.008 241 E CA 1.933 58.327 56.400 -0.011 0.000 0.843 241 E CB -0.421 29.274 29.700 -0.010 0.000 0.761 241 E HN 0.613 nan 8.360 nan 0.000 0.507 242 T N -1.999 112.537 114.554 -0.031 0.000 3.081 242 T HA 0.149 4.499 4.350 -0.001 0.000 0.250 242 T C 0.580 175.269 174.700 -0.019 0.000 1.100 242 T CA -0.125 61.963 62.100 -0.020 0.000 1.038 242 T CB 0.214 69.072 68.868 -0.016 0.000 0.962 242 T HN -0.130 nan 8.240 nan 0.000 0.516 243 I N 2.105 122.657 120.570 -0.031 0.000 2.406 243 I HA 0.442 4.611 4.170 -0.001 0.000 0.290 243 I C 0.270 176.377 176.117 -0.016 0.000 0.999 243 I CA -1.059 60.227 61.300 -0.023 0.000 1.124 243 I CB 1.509 39.485 38.000 -0.041 0.000 1.289 243 I HN 0.163 nan 8.210 nan 0.000 0.441 244 S N 8.212 123.913 115.700 0.001 0.000 2.580 244 S HA 0.336 4.806 4.470 -0.001 0.000 0.274 244 S C -1.219 173.381 174.600 0.001 0.000 1.329 244 S CA -1.007 57.197 58.200 0.007 0.000 1.036 244 S CB 0.982 64.202 63.200 0.033 0.000 0.919 244 S HN 0.493 nan 8.310 nan 0.000 0.515 245 P HA -0.103 nan 4.420 nan 0.000 0.220 245 P C 1.556 178.859 177.300 0.006 0.000 1.148 245 P CA 1.080 64.156 63.100 -0.040 0.000 0.803 245 P CB -0.128 31.502 31.700 -0.118 0.000 0.782 246 L N -0.569 120.682 121.223 0.046 0.000 2.129 246 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 246 L C 2.383 179.297 176.870 0.073 0.000 1.087 246 L CA 1.668 56.562 54.840 0.089 0.000 0.757 246 L CB -1.087 41.051 42.059 0.131 0.000 0.896 246 L HN -0.016 nan 8.230 nan 0.000 0.434 247 A N -0.890 121.962 122.820 0.054 0.000 2.307 247 A HA 0.479 4.798 4.320 -0.001 0.000 0.218 247 A C 1.626 179.238 177.584 0.046 0.000 1.228 247 A CA 0.716 52.781 52.037 0.046 0.000 0.857 247 A CB -0.116 18.906 19.000 0.037 0.000 0.897 247 A HN 0.308 nan 8.150 nan 0.000 0.495 248 A N -0.605 122.246 122.820 0.052 0.000 2.609 248 A HA 0.448 4.768 4.320 -0.001 0.000 0.286 248 A C 0.540 178.187 177.584 0.106 0.000 1.138 248 A CA 0.307 52.382 52.037 0.064 0.000 0.960 248 A CB -0.366 18.660 19.000 0.044 0.000 1.208 248 A HN 0.655 nan 8.150 nan 0.000 0.541 249 N N -1.004 117.767 118.700 0.118 0.000 2.783 249 N HA -0.174 4.565 4.740 -0.001 0.000 0.247 249 N C 0.177 175.860 175.510 0.290 0.000 1.089 249 N CA 1.531 54.698 53.050 0.194 0.000 0.690 249 N CB -1.811 36.779 38.487 0.171 0.000 0.991 249 N HN 0.554 nan 8.380 nan 0.000 0.552 250 M N -1.722 117.945 119.600 0.111 0.000 2.412 250 M HA 0.305 4.784 4.480 -0.001 0.000 0.315 250 M C 1.858 178.014 176.300 -0.240 0.000 1.092 250 M CA 0.357 55.571 55.300 -0.143 0.000 0.974 250 M CB 0.525 33.022 32.600 -0.171 0.000 1.437 250 M HN 0.289 nan 8.290 nan 0.000 0.524 251 G N 1.360 110.174 108.800 0.024 0.000 2.450 251 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 251 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 251 G C 1.185 176.129 174.900 0.072 0.000 1.130 251 G CA 0.617 45.769 45.100 0.087 0.000 0.760 251 G HN 0.785 nan 8.290 nan 0.000 0.557 252 W N 1.622 122.939 121.300 0.030 0.000 2.699 252 W HA 0.042 4.701 4.660 -0.001 0.000 0.249 252 W C 1.484 177.975 176.519 -0.047 0.000 1.280 252 W CA 1.323 58.674 57.345 0.010 0.000 1.345 252 W CB -1.136 28.326 29.460 0.003 0.000 1.128 252 W HN 0.270 nan 8.180 nan 0.000 0.642 253 T N -1.072 113.015 114.554 -0.779 0.000 3.107 253 T HA 0.143 4.493 4.350 -0.001 0.000 0.249 253 T C 0.730 175.073 174.700 -0.596 0.000 1.096 253 T CA -0.034 61.575 62.100 -0.817 0.000 1.012 253 T CB -0.393 67.823 68.868 -1.087 0.000 0.977 253 T HN -0.135 nan 8.240 nan 0.000 0.527 254 I N 2.676 122.922 120.570 -0.540 0.000 2.337 254 I HA 0.444 4.614 4.170 -0.001 0.000 0.291 254 I C 0.634 176.315 176.117 -0.726 0.000 1.046 254 I CA -1.362 59.483 61.300 -0.758 0.000 1.324 254 I CB -0.091 37.297 38.000 -1.020 0.000 1.409 254 I HN 0.252 nan 8.210 nan 0.000 0.494 255 A N 6.873 129.318 122.820 -0.625 0.000 2.923 255 A HA 0.228 4.548 4.320 -0.001 0.000 0.306 255 A C 0.762 178.221 177.584 -0.208 0.000 1.542 255 A CA -0.609 51.226 52.037 -0.337 0.000 1.225 255 A CB -0.462 18.383 19.000 -0.259 0.000 1.147 255 A HN 0.811 nan 8.150 nan 0.000 0.542 256 W N 0.943 122.266 121.300 0.038 0.000 2.338 256 W HA -0.110 4.550 4.660 -0.001 0.000 0.304 256 W C 0.869 177.439 176.519 0.086 0.000 1.212 256 W CA 0.840 58.245 57.345 0.100 0.000 1.264 256 W CB 0.134 29.632 29.460 0.063 0.000 1.142 256 W HN 0.424 nan 8.180 nan 0.000 0.512 257 E N 0.810 121.168 120.200 0.262 0.000 2.204 257 E HA 0.213 4.563 4.350 -0.001 0.000 0.276 257 E C -1.998 174.659 176.600 0.095 0.000 0.974 257 E CA -2.209 54.287 56.400 0.160 0.000 0.815 257 E CB 0.333 30.110 29.700 0.128 0.000 1.119 257 E HN -0.139 nan 8.360 nan 0.000 0.393 258 P HA 0.158 nan 4.420 nan 0.000 0.278 258 P C 0.140 177.509 177.300 0.115 0.000 1.238 258 P CA -0.188 62.964 63.100 0.087 0.000 0.794 258 P CB 1.089 32.827 31.700 0.064 0.000 0.955 259 A N 3.049 125.935 122.820 0.111 0.000 1.940 259 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 259 A C 1.553 179.193 177.584 0.094 0.000 1.176 259 A CA 1.888 53.996 52.037 0.118 0.000 0.631 259 A CB -1.159 17.895 19.000 0.090 0.000 0.814 259 A HN 0.672 nan 8.150 nan 0.000 0.446 260 D N -0.545 119.901 120.400 0.076 0.000 2.378 260 D HA -0.114 4.525 4.640 -0.001 0.000 0.227 260 D C 0.832 177.178 176.300 0.076 0.000 1.012 260 D CA 0.085 54.123 54.000 0.064 0.000 0.905 260 D CB -0.497 40.333 40.800 0.051 0.000 0.895 260 D HN 0.468 nan 8.370 nan 0.000 0.532 261 R N 1.126 121.688 120.500 0.103 0.000 2.205 261 R HA 0.131 4.470 4.340 -0.001 0.000 0.342 261 R C -0.879 175.513 176.300 0.154 0.000 1.058 261 R CA -0.621 55.557 56.100 0.130 0.000 0.904 261 R CB 0.220 30.603 30.300 0.138 0.000 1.089 261 R HN -0.181 nan 8.270 nan 0.000 0.471 262 D N 4.280 124.761 120.400 0.134 0.000 2.382 262 D HA 0.138 4.777 4.640 -0.001 0.000 0.245 262 D C -0.899 175.553 176.300 0.253 0.000 1.120 262 D CA 0.265 54.330 54.000 0.108 0.000 0.890 262 D CB 0.422 41.305 40.800 0.137 0.000 1.201 262 D HN 0.369 nan 8.370 nan 0.000 0.433 263 F N 0.962 120.959 119.950 0.078 0.000 2.631 263 F HA 0.495 5.022 4.527 -0.001 0.000 0.308 263 F C -0.755 174.930 175.800 -0.191 0.000 1.097 263 F CA -1.403 56.533 58.000 -0.107 0.000 0.952 263 F CB 0.402 39.292 39.000 -0.183 0.000 1.307 263 F HN 0.123 nan 8.300 nan 0.000 0.450 264 I N 2.939 123.385 120.570 -0.206 0.000 2.662 264 I HA 0.327 4.497 4.170 -0.001 0.000 0.285 264 I C 1.213 177.346 176.117 0.028 0.000 1.161 264 I CA 1.304 62.510 61.300 -0.157 0.000 1.415 264 I CB 0.119 37.987 38.000 -0.221 0.000 1.385 264 I HN 1.151 nan 8.210 nan 0.000 0.552 265 G N 5.096 113.870 108.800 -0.042 0.000 2.194 265 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.236 265 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.236 265 G C 1.245 176.053 174.900 -0.155 0.000 0.987 265 G CA 0.407 45.494 45.100 -0.022 0.000 0.635 265 G HN 0.681 nan 8.290 nan 0.000 0.520 266 R N 0.784 120.919 120.500 -0.609 0.000 2.080 266 R HA -0.063 4.276 4.340 -0.001 0.000 0.236 266 R C 2.275 178.428 176.300 -0.244 0.000 1.137 266 R CA 2.096 57.681 56.100 -0.859 0.000 0.943 266 R CB -0.423 29.052 30.300 -1.376 0.000 0.846 266 R HN 0.587 nan 8.270 nan 0.000 0.431 267 E N -0.166 119.934 120.200 -0.166 0.000 2.070 267 E HA -0.237 4.112 4.350 -0.001 0.000 0.197 267 E C 1.964 178.568 176.600 0.007 0.000 1.004 267 E CA 1.345 57.717 56.400 -0.046 0.000 0.805 267 E CB -0.172 29.510 29.700 -0.030 0.000 0.744 267 E HN 0.524 nan 8.360 nan 0.000 0.451 268 A N 1.035 123.858 122.820 0.005 0.000 1.877 268 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 268 A C 2.121 179.755 177.584 0.082 0.000 1.186 268 A CA 1.143 53.201 52.037 0.036 0.000 0.620 268 A CB -0.495 18.521 19.000 0.028 0.000 0.822 268 A HN 0.116 nan 8.150 nan 0.000 0.443 269 L N 0.279 121.570 121.223 0.114 0.000 2.046 269 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 269 L C 2.521 179.600 176.870 0.347 0.000 1.077 269 L CA 1.822 56.810 54.840 0.247 0.000 0.747 269 L CB -0.916 41.303 42.059 0.266 0.000 0.896 269 L HN 0.439 nan 8.230 nan 0.000 0.432 270 E N -0.571 119.802 120.200 0.289 0.000 2.038 270 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 270 E C 2.285 178.944 176.600 0.098 0.000 1.000 270 E CA 1.560 58.069 56.400 0.181 0.000 0.803 270 E CB -0.561 29.209 29.700 0.117 0.000 0.750 270 E HN 0.328 nan 8.360 nan 0.000 0.448 271 V N 1.654 121.634 119.914 0.110 0.000 2.332 271 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 271 V C 2.477 178.678 176.094 0.177 0.000 1.055 271 V CA 1.954 64.335 62.300 0.135 0.000 1.038 271 V CB -0.634 31.225 31.823 0.059 0.000 0.651 271 V HN 0.247 nan 8.190 nan 0.000 0.450 272 Q N -0.530 119.352 119.800 0.135 0.000 2.124 272 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 272 Q C 2.473 178.545 176.000 0.120 0.000 0.977 272 Q CA 1.876 57.759 55.803 0.133 0.000 0.850 272 Q CB -0.224 28.592 28.738 0.129 0.000 0.901 272 Q HN 0.571 nan 8.270 nan 0.000 0.429 273 R N 0.855 121.409 120.500 0.091 0.000 2.092 273 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 273 R C 1.670 177.920 176.300 -0.084 0.000 1.119 273 R CA 1.353 57.437 56.100 -0.027 0.000 0.970 273 R CB 0.137 30.275 30.300 -0.271 0.000 0.864 273 R HN 0.251 nan 8.270 nan 0.000 0.440 274 E N -1.154 119.009 120.200 -0.063 0.000 2.152 274 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 274 E C 1.378 177.792 176.600 -0.311 0.000 0.983 274 E CA 1.193 57.484 56.400 -0.182 0.000 0.818 274 E CB 0.074 29.674 29.700 -0.166 0.000 0.758 274 E HN 0.597 nan 8.360 nan 0.000 0.467 275 H N -1.033 118.024 119.070 -0.021 0.000 2.654 275 H HA 0.260 4.815 4.556 -0.001 0.000 0.264 275 H C 0.522 175.849 175.328 -0.002 0.000 0.954 275 H CA 0.580 56.623 56.048 -0.008 0.000 1.199 275 H CB 1.235 30.997 29.762 -0.000 0.000 1.446 275 H HN 0.202 nan 8.280 nan 0.000 0.516 276 G N 0.397 109.243 108.800 0.076 0.000 2.663 276 G HA2 0.037 3.996 3.960 -0.001 0.000 0.686 276 G HA3 0.037 3.996 3.960 -0.001 0.000 0.686 276 G C -0.142 174.799 174.900 0.068 0.000 1.246 276 G CA -0.414 44.717 45.100 0.052 0.000 0.795 276 G HN 0.602 nan 8.290 nan 0.000 0.627 277 T N -1.786 112.801 114.554 0.055 0.000 2.812 277 T HA 0.756 5.106 4.350 -0.001 0.000 0.294 277 T C 0.097 174.822 174.700 0.042 0.000 1.159 277 T CA -0.146 61.986 62.100 0.054 0.000 1.008 277 T CB 1.967 70.872 68.868 0.063 0.000 1.289 277 T HN 0.864 nan 8.240 nan 0.000 0.514 278 E N 0.873 121.097 120.200 0.041 0.000 2.461 278 E HA 0.215 4.565 4.350 -0.001 0.000 0.263 278 E C -0.304 176.317 176.600 0.034 0.000 1.143 278 E CA -0.222 56.200 56.400 0.037 0.000 0.994 278 E CB 0.362 30.088 29.700 0.043 0.000 0.973 278 E HN 0.307 nan 8.360 nan 0.000 0.457 279 K N 1.291 121.706 120.400 0.025 0.000 2.371 279 K HA 0.353 4.672 4.320 -0.001 0.000 0.251 279 K C -0.804 175.806 176.600 0.018 0.000 0.934 279 K CA -1.050 55.248 56.287 0.018 0.000 0.798 279 K CB 1.656 34.150 32.500 -0.009 0.000 1.204 279 K HN 0.251 nan 8.250 nan 0.000 0.427 280 L N 3.119 124.359 121.223 0.028 0.000 2.305 280 L HA 0.373 4.712 4.340 -0.001 0.000 0.281 280 L C -0.434 176.438 176.870 0.003 0.000 1.085 280 L CA -0.268 54.590 54.840 0.029 0.000 0.813 280 L CB 1.050 43.140 42.059 0.052 0.000 1.157 280 L HN 0.469 nan 8.230 nan 0.000 0.436 281 V N 1.822 121.734 119.914 -0.003 0.000 3.130 281 V HA 1.002 5.121 4.120 -0.001 0.000 0.310 281 V C -0.004 176.086 176.094 -0.007 0.000 1.158 281 V CA -0.278 61.999 62.300 -0.039 0.000 1.029 281 V CB 1.233 33.016 31.823 -0.066 0.000 1.057 281 V HN 0.848 nan 8.190 nan 0.000 0.436 282 G N 0.684 109.452 108.800 -0.054 0.000 2.461 282 G HA2 0.753 4.713 3.960 -0.001 0.000 0.329 282 G HA3 0.753 4.713 3.960 -0.001 0.000 0.329 282 G C -1.182 173.819 174.900 0.169 0.000 1.170 282 G CA -0.918 44.239 45.100 0.094 0.000 0.935 282 G HN 0.915 nan 8.290 nan 0.000 0.492 283 L N 0.004 121.419 121.223 0.320 0.000 2.409 283 L HA 0.610 4.949 4.340 -0.001 0.000 0.262 283 L C -0.827 176.147 176.870 0.173 0.000 0.992 283 L CA -1.141 53.804 54.840 0.175 0.000 0.817 283 L CB 2.513 44.625 42.059 0.089 0.000 1.350 283 L HN 0.214 nan 8.230 nan 0.000 0.411 284 V N 2.818 122.782 119.914 0.084 0.000 2.483 284 V HA 0.459 4.578 4.120 -0.001 0.000 0.297 284 V C -0.334 175.717 176.094 -0.071 0.000 1.027 284 V CA -0.311 61.993 62.300 0.006 0.000 0.855 284 V CB 1.978 33.811 31.823 0.016 0.000 0.995 284 V HN 0.757 nan 8.190 nan 0.000 0.424 285 M N 4.187 123.747 119.600 -0.068 0.000 2.114 285 M HA 0.270 4.750 4.480 -0.001 0.000 0.332 285 M C 1.168 177.415 176.300 -0.089 0.000 1.014 285 M CA -0.385 54.875 55.300 -0.067 0.000 0.956 285 M CB 1.889 34.486 32.600 -0.005 0.000 1.551 285 M HN 0.927 nan 8.290 nan 0.000 0.427 286 T N 0.383 114.811 114.554 -0.209 0.000 2.937 286 T HA 0.038 4.388 4.350 -0.001 0.000 0.260 286 T C 0.712 175.446 174.700 0.057 0.000 1.051 286 T CA 0.279 62.256 62.100 -0.205 0.000 1.141 286 T CB -0.120 68.512 68.868 -0.393 0.000 0.879 286 T HN 0.711 nan 8.240 nan 0.000 0.459 287 E N 2.417 122.627 120.200 0.017 0.000 2.398 287 E HA 0.099 4.448 4.350 -0.001 0.000 0.263 287 E C -0.359 176.280 176.600 0.065 0.000 1.046 287 E CA -0.466 55.960 56.400 0.044 0.000 0.908 287 E CB 0.604 30.316 29.700 0.019 0.000 0.963 287 E HN 0.090 nan 8.360 nan 0.000 0.431 288 K N 0.766 121.202 120.400 0.060 0.000 2.508 288 K HA 0.249 4.568 4.320 -0.001 0.000 0.273 288 K C 0.566 177.190 176.600 0.040 0.000 0.964 288 K CA 1.237 57.553 56.287 0.050 0.000 0.948 288 K CB -0.115 32.401 32.500 0.025 0.000 0.917 288 K HN 0.898 nan 8.250 nan 0.000 0.512 289 G N -0.935 107.887 108.800 0.035 0.000 2.402 289 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.666 289 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.666 289 G C -1.488 173.437 174.900 0.041 0.000 1.402 289 G CA -0.964 44.155 45.100 0.031 0.000 0.920 289 G HN 0.307 nan 8.290 nan 0.000 0.651 290 V N 2.378 122.312 119.914 0.033 0.000 2.318 290 V HA 0.397 4.516 4.120 -0.001 0.000 0.271 290 V C 0.929 177.045 176.094 0.038 0.000 1.030 290 V CA -0.571 61.752 62.300 0.038 0.000 0.844 290 V CB 1.096 32.934 31.823 0.025 0.000 1.015 290 V HN 0.623 nan 8.190 nan 0.000 0.460 291 L N 6.389 127.637 121.223 0.042 0.000 2.456 291 L HA 0.388 4.728 4.340 -0.001 0.000 0.277 291 L C 0.580 177.468 176.870 0.031 0.000 1.124 291 L CA 0.413 55.272 54.840 0.032 0.000 0.880 291 L CB 0.079 42.151 42.059 0.021 0.000 1.192 291 L HN 0.569 nan 8.230 nan 0.000 0.463 292 R N 2.430 122.950 120.500 0.033 0.000 2.778 292 R HA 0.347 4.686 4.340 -0.001 0.000 0.277 292 R C -0.508 175.814 176.300 0.037 0.000 0.977 292 R CA -1.038 55.083 56.100 0.035 0.000 0.950 292 R CB 1.408 31.728 30.300 0.033 0.000 1.165 292 R HN 0.512 nan 8.270 nan 0.000 0.474 293 N N 2.582 121.307 118.700 0.041 0.000 2.412 293 N HA -0.055 4.685 4.740 -0.001 0.000 0.254 293 N C -0.246 175.287 175.510 0.039 0.000 1.232 293 N CA 0.790 53.866 53.050 0.043 0.000 0.880 293 N CB 0.318 38.835 38.487 0.049 0.000 1.076 293 N HN 0.739 nan 8.380 nan 0.000 0.458 294 E N -2.337 117.885 120.200 0.037 0.000 4.217 294 E HA -0.212 4.137 4.350 -0.001 0.000 0.365 294 E C -0.649 175.972 176.600 0.035 0.000 0.647 294 E CA 0.289 56.709 56.400 0.034 0.000 1.399 294 E CB -0.951 28.767 29.700 0.031 0.000 1.766 294 E HN 0.245 nan 8.360 nan 0.000 0.394 295 L N 1.745 122.990 121.223 0.036 0.000 2.456 295 L HA 0.228 4.567 4.340 -0.001 0.000 0.272 295 L C -1.914 174.981 176.870 0.042 0.000 1.189 295 L CA -1.195 53.666 54.840 0.036 0.000 0.846 295 L CB -0.414 41.666 42.059 0.036 0.000 1.111 295 L HN -0.180 nan 8.230 nan 0.000 0.475 296 P HA 0.183 nan 4.420 nan 0.000 0.271 296 P C -0.994 176.343 177.300 0.061 0.000 1.218 296 P CA -0.207 62.922 63.100 0.048 0.000 0.780 296 P CB 0.802 32.525 31.700 0.039 0.000 0.901 297 V N 4.629 124.592 119.914 0.082 0.000 2.555 297 V HA 0.504 4.623 4.120 -0.001 0.000 0.302 297 V C 0.254 176.434 176.094 0.142 0.000 1.038 297 V CA -0.559 61.806 62.300 0.110 0.000 0.887 297 V CB 1.706 33.602 31.823 0.122 0.000 0.991 297 V HN 0.478 nan 8.190 nan 0.000 0.434 298 R N 4.023 124.615 120.500 0.154 0.000 2.744 298 R HA 0.791 5.130 4.340 -0.001 0.000 0.279 298 R C -1.414 175.042 176.300 0.260 0.000 0.977 298 R CA -0.507 55.681 56.100 0.146 0.000 0.906 298 R CB 2.702 33.036 30.300 0.057 0.000 1.197 298 R HN 0.717 nan 8.270 nan 0.000 0.463 299 F N -2.146 117.845 119.950 0.068 0.000 2.713 299 F HA 0.546 5.072 4.527 -0.001 0.000 0.311 299 F C -1.309 174.543 175.800 0.087 0.000 1.141 299 F CA -0.914 57.126 58.000 0.067 0.000 0.939 299 F CB 1.680 40.720 39.000 0.067 0.000 1.325 299 F HN 0.213 nan 8.300 nan 0.000 0.453 300 T N 1.780 116.422 114.554 0.146 0.000 2.797 300 T HA 0.445 4.794 4.350 -0.001 0.000 0.279 300 T C -0.806 174.048 174.700 0.256 0.000 0.991 300 T CA -0.550 61.571 62.100 0.034 0.000 0.979 300 T CB 1.202 70.086 68.868 0.027 0.000 0.943 300 T HN 0.752 nan 8.240 nan 0.000 0.444 301 D N 1.998 122.528 120.400 0.216 0.000 2.447 301 D HA 0.465 5.105 4.640 -0.001 0.000 0.265 301 D C 1.586 177.994 176.300 0.180 0.000 1.250 301 D CA -0.588 53.616 54.000 0.341 0.000 1.046 301 D CB 0.151 41.201 40.800 0.417 0.000 1.095 301 D HN 0.410 nan 8.370 nan 0.000 0.555 302 A N -0.330 122.580 122.820 0.150 0.000 1.873 302 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 302 A C 1.910 179.534 177.584 0.066 0.000 1.193 302 A CA 2.004 54.094 52.037 0.089 0.000 0.629 302 A CB -1.103 17.938 19.000 0.068 0.000 0.826 302 A HN 0.604 nan 8.150 nan 0.000 0.447 303 Q N -1.021 118.819 119.800 0.068 0.000 2.431 303 Q HA 0.373 4.713 4.340 -0.001 0.000 0.210 303 Q C 1.053 177.066 176.000 0.022 0.000 0.958 303 Q CA 0.749 56.577 55.803 0.041 0.000 0.957 303 Q CB -0.233 28.529 28.738 0.040 0.000 1.007 303 Q HN 1.005 nan 8.270 nan 0.000 0.511 304 G N -0.123 108.690 108.800 0.022 0.000 2.176 304 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.253 304 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.253 304 G C -0.290 174.575 174.900 -0.059 0.000 0.979 304 G CA -0.324 44.771 45.100 -0.009 0.000 0.641 304 G HN 0.322 nan 8.290 nan 0.000 0.530 305 N N 1.380 120.030 118.700 -0.084 0.000 2.444 305 N HA 0.395 5.135 4.740 -0.001 0.000 0.271 305 N C 0.456 175.703 175.510 -0.439 0.000 1.069 305 N CA 0.045 52.948 53.050 -0.246 0.000 0.965 305 N CB 0.877 39.207 38.487 -0.262 0.000 1.092 305 N HN 0.576 nan 8.380 nan 0.000 0.476 306 Q N 1.596 121.132 119.800 -0.441 0.000 2.373 306 Q HA 0.247 4.586 4.340 -0.001 0.000 0.255 306 Q C -0.242 175.270 176.000 -0.813 0.000 0.980 306 Q CA 0.261 55.777 55.803 -0.479 0.000 0.882 306 Q CB 0.881 29.453 28.738 -0.276 0.000 1.249 306 Q HN 0.497 nan 8.270 nan 0.000 0.438 307 H N 0.202 118.899 119.070 -0.622 0.000 2.946 307 H HA 0.425 4.981 4.556 -0.001 0.000 0.365 307 H C -1.116 174.021 175.328 -0.317 0.000 1.197 307 H CA -0.719 55.014 56.048 -0.526 0.000 1.131 307 H CB 2.115 31.428 29.762 -0.748 0.000 1.849 307 H HN 0.678 nan 8.280 nan 0.000 0.555 308 E N 0.568 120.781 120.200 0.021 0.000 2.272 308 E HA 0.555 4.905 4.350 -0.001 0.000 0.269 308 E C -0.952 175.718 176.600 0.116 0.000 0.877 308 E CA -0.808 55.629 56.400 0.063 0.000 0.755 308 E CB 2.305 32.021 29.700 0.026 0.000 1.192 308 E HN 0.818 nan 8.360 nan 0.000 0.422 309 G N 2.877 111.758 108.800 0.136 0.000 3.135 309 G HA2 0.692 4.651 3.960 -0.001 0.000 0.278 309 G HA3 0.692 4.651 3.960 -0.001 0.000 0.278 309 G C -1.427 173.527 174.900 0.090 0.000 1.302 309 G CA -0.626 44.547 45.100 0.122 0.000 0.880 309 G HN 0.561 nan 8.290 nan 0.000 0.574 310 I N -0.756 119.860 120.570 0.077 0.000 2.841 310 I HA 0.472 4.642 4.170 -0.001 0.000 0.298 310 I C -1.111 175.040 176.117 0.058 0.000 1.304 310 I CA -1.102 60.234 61.300 0.060 0.000 1.019 310 I CB 2.345 40.374 38.000 0.047 0.000 1.282 310 I HN 0.383 nan 8.210 nan 0.000 0.432 311 I N 5.629 126.231 120.570 0.053 0.000 2.436 311 I HA 0.073 4.243 4.170 -0.001 0.000 0.289 311 I C 1.428 177.573 176.117 0.048 0.000 1.083 311 I CA 0.188 61.519 61.300 0.052 0.000 1.372 311 I CB 1.513 39.542 38.000 0.048 0.000 1.408 311 I HN 0.759 nan 8.210 nan 0.000 0.516 312 T N 1.278 115.862 114.554 0.051 0.000 2.851 312 T HA 0.047 4.396 4.350 -0.001 0.000 0.262 312 T C 0.762 175.494 174.700 0.053 0.000 1.043 312 T CA 0.375 62.502 62.100 0.046 0.000 1.140 312 T CB 0.159 69.054 68.868 0.045 0.000 0.872 312 T HN 0.465 nan 8.240 nan 0.000 0.446 313 S N -0.592 115.143 115.700 0.059 0.000 2.536 313 S HA 0.696 5.166 4.470 -0.001 0.000 0.271 313 S C -0.471 174.153 174.600 0.039 0.000 1.134 313 S CA -0.686 57.547 58.200 0.056 0.000 0.897 313 S CB 2.097 65.337 63.200 0.067 0.000 1.094 313 S HN 0.839 nan 8.310 nan 0.000 0.473 314 G N 0.312 109.127 108.800 0.025 0.000 2.612 314 G HA2 0.727 4.686 3.960 -0.001 0.000 0.298 314 G HA3 0.727 4.686 3.960 -0.001 0.000 0.298 314 G C -1.318 173.574 174.900 -0.014 0.000 1.336 314 G CA -0.504 44.593 45.100 -0.006 0.000 0.953 314 G HN 0.639 nan 8.290 nan 0.000 0.482 315 T N -0.083 114.437 114.554 -0.058 0.000 2.889 315 T HA 0.486 4.836 4.350 -0.001 0.000 0.315 315 T C -1.566 173.107 174.700 -0.045 0.000 1.291 315 T CA -0.514 61.564 62.100 -0.037 0.000 1.028 315 T CB 1.219 70.048 68.868 -0.064 0.000 1.235 315 T HN 0.533 nan 8.240 nan 0.000 0.491 316 F N 3.916 123.813 119.950 -0.090 0.000 2.502 316 F HA 0.476 5.003 4.527 -0.001 0.000 0.371 316 F C 0.659 176.368 175.800 -0.153 0.000 1.083 316 F CA -0.043 57.895 58.000 -0.102 0.000 1.174 316 F CB 0.526 39.476 39.000 -0.084 0.000 1.096 316 F HN 0.376 nan 8.300 nan 0.000 0.545 317 S N 8.494 123.599 115.700 -0.992 0.000 2.399 317 S HA 0.339 4.809 4.470 -0.001 0.000 0.301 317 S C -1.679 172.313 174.600 -1.012 0.000 1.093 317 S CA -1.485 56.226 58.200 -0.815 0.000 1.077 317 S CB 0.825 63.701 63.200 -0.540 0.000 0.980 317 S HN 0.519 nan 8.310 nan 0.000 0.494 318 P HA -0.030 nan 4.420 nan 0.000 0.217 318 P C 1.397 178.595 177.300 -0.170 0.000 1.151 318 P CA 1.049 63.961 63.100 -0.313 0.000 0.828 318 P CB -0.053 31.485 31.700 -0.270 0.000 0.788 319 T N 0.003 114.511 114.554 -0.077 0.000 2.788 319 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 319 T C 1.615 176.270 174.700 -0.075 0.000 1.044 319 T CA 1.085 63.197 62.100 0.019 0.000 1.139 319 T CB -0.678 68.246 68.868 0.093 0.000 0.867 319 T HN 0.072 nan 8.240 nan 0.000 0.454 320 L N -0.187 120.939 121.223 -0.162 0.000 2.307 320 L HA 0.236 4.575 4.340 -0.001 0.000 0.211 320 L C 2.326 178.947 176.870 -0.416 0.000 1.099 320 L CA 0.867 55.598 54.840 -0.182 0.000 0.816 320 L CB -0.852 41.170 42.059 -0.061 0.000 0.952 320 L HN 0.535 nan 8.230 nan 0.000 0.455 321 G N -0.655 107.856 108.800 -0.482 0.000 2.179 321 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.260 321 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.260 321 G C -0.126 174.465 174.900 -0.515 0.000 0.977 321 G CA 0.058 44.866 45.100 -0.487 0.000 0.641 321 G HN 0.286 nan 8.290 nan 0.000 0.533 322 Y N 0.553 120.640 120.300 -0.356 0.000 2.570 322 Y HA 0.712 5.262 4.550 -0.001 0.000 0.345 322 Y C 0.825 176.521 175.900 -0.339 0.000 1.014 322 Y CA -0.999 56.993 58.100 -0.180 0.000 1.063 322 Y CB 1.523 39.920 38.460 -0.105 0.000 1.272 322 Y HN 0.083 nan 8.280 nan 0.000 0.477 323 S N 3.025 118.797 115.700 0.119 0.000 2.552 323 S HA 0.399 4.869 4.470 -0.001 0.000 0.289 323 S C -0.221 174.313 174.600 -0.110 0.000 1.304 323 S CA -0.165 58.044 58.200 0.016 0.000 1.063 323 S CB -0.547 62.711 63.200 0.096 0.000 0.848 323 S HN 0.515 nan 8.310 nan 0.000 0.499 324 I N -0.904 119.521 120.570 -0.241 0.000 3.042 324 I HA 1.007 5.176 4.170 -0.001 0.000 0.310 324 I C -0.679 175.262 176.117 -0.294 0.000 1.117 324 I CA -1.365 59.677 61.300 -0.431 0.000 1.003 324 I CB 2.183 39.523 38.000 -1.100 0.000 1.228 324 I HN 0.610 nan 8.210 nan 0.000 0.443 325 A N 3.918 126.627 122.820 -0.185 0.000 2.604 325 A HA 0.760 5.080 4.320 -0.001 0.000 0.295 325 A C -1.580 176.124 177.584 0.199 0.000 1.067 325 A CA -0.625 51.417 52.037 0.010 0.000 0.683 325 A CB 1.561 20.581 19.000 0.033 0.000 1.281 325 A HN 0.745 nan 8.150 nan 0.000 0.407 326 L N 0.884 122.204 121.223 0.161 0.000 2.334 326 L HA 0.829 5.169 4.340 -0.001 0.000 0.275 326 L C 0.366 177.297 176.870 0.102 0.000 1.036 326 L CA -0.472 54.468 54.840 0.167 0.000 0.807 326 L CB 1.900 44.047 42.059 0.147 0.000 1.231 326 L HN 0.993 nan 8.230 nan 0.000 0.438 327 A N 2.873 125.742 122.820 0.083 0.000 2.488 327 A HA 0.608 4.928 4.320 -0.001 0.000 0.298 327 A C -1.135 176.480 177.584 0.052 0.000 1.044 327 A CA -0.661 51.414 52.037 0.064 0.000 0.693 327 A CB 1.709 20.748 19.000 0.064 0.000 1.272 327 A HN 0.746 nan 8.150 nan 0.000 0.402 328 R N 1.438 121.969 120.500 0.053 0.000 2.294 328 R HA 0.677 5.016 4.340 -0.001 0.000 0.319 328 R C -0.924 175.414 176.300 0.065 0.000 0.984 328 R CA -0.243 55.886 56.100 0.049 0.000 0.861 328 R CB 1.092 31.418 30.300 0.043 0.000 1.104 328 R HN 1.147 nan 8.270 nan 0.000 0.451 329 V N 1.595 121.548 119.914 0.064 0.000 2.971 329 V HA 0.648 4.768 4.120 -0.001 0.000 0.309 329 V C -2.744 173.415 176.094 0.108 0.000 1.130 329 V CA -2.755 59.613 62.300 0.114 0.000 0.964 329 V CB 1.867 33.748 31.823 0.097 0.000 1.029 329 V HN 0.709 nan 8.190 nan 0.000 0.427 330 P HA 0.093 nan 4.420 nan 0.000 0.266 330 P C -0.102 177.233 177.300 0.058 0.000 1.193 330 P CA 0.321 63.470 63.100 0.081 0.000 0.770 330 P CB 0.475 32.187 31.700 0.020 0.000 0.836 331 E N 0.630 120.820 120.200 -0.016 0.000 2.415 331 E HA 0.226 4.576 4.350 -0.001 0.000 0.262 331 E C 1.094 177.678 176.600 -0.028 0.000 1.038 331 E CA 0.825 57.207 56.400 -0.029 0.000 0.921 331 E CB -0.238 29.450 29.700 -0.019 0.000 0.950 331 E HN 0.768 nan 8.360 nan 0.000 0.438 332 G N 3.452 112.228 108.800 -0.040 0.000 2.141 332 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.231 332 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.231 332 G C 0.303 175.174 174.900 -0.048 0.000 0.984 332 G CA 0.021 45.127 45.100 0.010 0.000 0.660 332 G HN 0.607 nan 8.290 nan 0.000 0.525 333 I N 1.194 121.426 120.570 -0.562 0.000 2.932 333 I HA 0.391 4.560 4.170 -0.001 0.000 0.295 333 I C 1.469 177.332 176.117 -0.423 0.000 1.227 333 I CA 1.309 61.900 61.300 -1.181 0.000 1.429 333 I CB 0.562 37.862 38.000 -1.166 0.000 1.339 333 I HN 0.211 nan 8.210 nan 0.000 0.589 334 G N 4.110 112.739 108.800 -0.285 0.000 3.227 334 G HA2 0.195 4.155 3.960 -0.001 0.000 0.171 334 G HA3 0.195 4.155 3.960 -0.001 0.000 0.171 334 G C 0.333 175.156 174.900 -0.128 0.000 1.463 334 G CA -0.106 44.921 45.100 -0.122 0.000 1.016 334 G HN 0.696 nan 8.290 nan 0.000 0.594 335 E N -0.586 119.573 120.200 -0.069 0.000 2.474 335 E HA 0.185 4.535 4.350 -0.001 0.000 0.195 335 E C 0.419 176.991 176.600 -0.047 0.000 1.039 335 E CA 0.232 56.596 56.400 -0.061 0.000 0.881 335 E CB 0.617 30.292 29.700 -0.041 0.000 0.970 335 E HN 0.451 nan 8.360 nan 0.000 0.486 336 T N -2.656 111.878 114.554 -0.034 0.000 2.883 336 T HA 0.847 5.196 4.350 -0.001 0.000 0.296 336 T C -0.544 174.171 174.700 0.026 0.000 1.117 336 T CA -0.509 61.587 62.100 -0.005 0.000 1.006 336 T CB 2.328 71.203 68.868 0.012 0.000 1.191 336 T HN -0.020 nan 8.240 nan 0.000 0.508 337 A N 0.740 123.588 122.820 0.047 0.000 2.483 337 A HA 0.825 5.144 4.320 -0.001 0.000 0.306 337 A C -1.982 175.647 177.584 0.076 0.000 1.137 337 A CA -0.918 51.179 52.037 0.100 0.000 0.626 337 A CB 0.615 19.671 19.000 0.093 0.000 1.352 337 A HN 1.020 nan 8.150 nan 0.000 0.508 338 I N 0.026 120.650 120.570 0.090 0.000 2.686 338 I HA 0.587 4.756 4.170 -0.001 0.000 0.295 338 I C -1.078 175.076 176.117 0.063 0.000 1.114 338 I CA -0.978 60.360 61.300 0.063 0.000 1.038 338 I CB 2.260 40.295 38.000 0.059 0.000 1.238 338 I HN 0.857 nan 8.210 nan 0.000 0.420 339 V N 5.082 125.024 119.914 0.046 0.000 2.604 339 V HA 0.508 4.628 4.120 -0.001 0.000 0.305 339 V C -0.785 175.331 176.094 0.036 0.000 1.043 339 V CA -0.455 61.873 62.300 0.046 0.000 0.888 339 V CB 1.754 33.604 31.823 0.045 0.000 0.995 339 V HN 0.869 nan 8.190 nan 0.000 0.429 340 Q N 4.962 124.783 119.800 0.035 0.000 2.337 340 Q HA 0.508 4.848 4.340 -0.001 0.000 0.255 340 Q C -1.125 174.890 176.000 0.025 0.000 0.997 340 Q CA -0.356 55.463 55.803 0.028 0.000 0.925 340 Q CB 0.822 29.575 28.738 0.026 0.000 1.212 340 Q HN 0.866 nan 8.270 nan 0.000 0.436 341 I N 5.604 126.187 120.570 0.022 0.000 2.355 341 I HA 0.306 4.476 4.170 -0.001 0.000 0.288 341 I C 0.532 176.659 176.117 0.017 0.000 0.999 341 I CA -0.723 60.589 61.300 0.020 0.000 1.163 341 I CB 1.162 39.174 38.000 0.020 0.000 1.316 341 I HN 0.875 nan 8.210 nan 0.000 0.454 342 R N 3.561 124.070 120.500 0.015 0.000 3.587 342 R HA -0.293 4.046 4.340 -0.001 0.000 0.556 342 R C 1.073 177.380 176.300 0.012 0.000 0.241 342 R CA 2.027 58.135 56.100 0.013 0.000 1.724 342 R CB -0.839 29.468 30.300 0.011 0.000 0.885 342 R HN 0.694 nan 8.270 nan 0.000 0.613 343 N N 1.566 120.272 118.700 0.010 0.000 2.396 343 N HA -0.053 4.686 4.740 -0.001 0.000 0.180 343 N C 0.385 175.901 175.510 0.010 0.000 1.028 343 N CA 0.993 54.048 53.050 0.009 0.000 0.893 343 N CB -0.147 38.344 38.487 0.007 0.000 0.967 343 N HN 0.248 nan 8.380 nan 0.000 0.440 344 R N 1.322 121.829 120.500 0.011 0.000 2.404 344 R HA 0.218 4.557 4.340 -0.001 0.000 0.291 344 R C -0.186 176.124 176.300 0.015 0.000 1.025 344 R CA -0.229 55.878 56.100 0.012 0.000 0.991 344 R CB 0.996 31.303 30.300 0.012 0.000 1.053 344 R HN 0.116 nan 8.270 nan 0.000 0.479 345 E N 3.707 123.916 120.200 0.016 0.000 2.028 345 E HA 0.137 4.486 4.350 -0.001 0.000 0.266 345 E C -0.324 176.288 176.600 0.020 0.000 0.962 345 E CA -0.391 56.021 56.400 0.020 0.000 0.784 345 E CB 0.968 30.680 29.700 0.020 0.000 1.114 345 E HN 0.158 nan 8.360 nan 0.000 0.414 346 M N 4.786 124.399 119.600 0.021 0.000 2.194 346 M HA 0.213 4.693 4.480 -0.001 0.000 0.347 346 M C -2.201 174.110 176.300 0.018 0.000 1.439 346 M CA -2.520 52.791 55.300 0.018 0.000 1.131 346 M CB -0.470 32.141 32.600 0.019 0.000 1.733 346 M HN 0.083 nan 8.290 nan 0.000 0.467 347 P HA 0.411 nan 4.420 nan 0.000 0.274 347 P C -0.634 176.665 177.300 -0.002 0.000 1.237 347 P CA -0.363 62.743 63.100 0.011 0.000 0.793 347 P CB 1.019 32.722 31.700 0.006 0.000 0.977 348 V N -2.037 117.876 119.914 -0.001 0.000 3.188 348 V HA 0.721 4.841 4.120 -0.001 0.000 0.305 348 V C -0.771 175.311 176.094 -0.021 0.000 1.232 348 V CA -1.394 60.896 62.300 -0.017 0.000 1.043 348 V CB 1.969 33.792 31.823 0.001 0.000 1.068 348 V HN 0.423 nan 8.190 nan 0.000 0.439 349 K N 1.564 121.942 120.400 -0.036 0.000 2.143 349 K HA 0.716 5.035 4.320 -0.001 0.000 0.272 349 K C -1.084 175.508 176.600 -0.013 0.000 1.001 349 K CA -0.389 55.879 56.287 -0.032 0.000 0.915 349 K CB 1.576 34.046 32.500 -0.050 0.000 1.047 349 K HN 0.763 nan 8.250 nan 0.000 0.458 350 V N 4.463 124.359 119.914 -0.031 0.000 2.427 350 V HA 0.470 4.590 4.120 -0.001 0.000 0.286 350 V C 0.016 176.077 176.094 -0.055 0.000 1.034 350 V CA -0.306 61.967 62.300 -0.046 0.000 0.893 350 V CB 1.046 32.810 31.823 -0.097 0.000 0.982 350 V HN 1.079 nan 8.190 nan 0.000 0.452 351 T N 1.927 116.445 114.554 -0.060 0.000 2.888 351 T HA 0.555 4.905 4.350 -0.001 0.000 0.288 351 T C -0.393 174.207 174.700 -0.167 0.000 1.063 351 T CA -1.107 60.928 62.100 -0.108 0.000 1.010 351 T CB 1.563 70.361 68.868 -0.116 0.000 1.214 351 T HN 0.427 nan 8.240 nan 0.000 0.533 352 K N 1.760 122.039 120.400 -0.201 0.000 2.380 352 K HA 0.180 4.500 4.320 -0.001 0.000 0.267 352 K C -1.949 174.437 176.600 -0.357 0.000 0.990 352 K CA -1.462 54.690 56.287 -0.225 0.000 0.946 352 K CB 0.170 32.550 32.500 -0.200 0.000 0.937 352 K HN 0.459 nan 8.250 nan 0.000 0.491 353 P HA 0.001 nan 4.420 nan 0.000 0.261 353 P C -0.715 176.354 177.300 -0.386 0.000 1.650 353 P CA 0.326 63.253 63.100 -0.288 0.000 0.846 353 P CB 0.000 31.641 31.700 -0.099 0.000 1.758 354 V N 0.147 119.669 119.914 -0.654 0.000 2.737 354 V HA 0.300 4.419 4.120 -0.001 0.000 0.298 354 V C -0.312 175.439 176.094 -0.573 0.000 1.163 354 V CA -0.545 61.489 62.300 -0.444 0.000 0.925 354 V CB 1.102 32.775 31.823 -0.250 0.000 1.037 354 V HN -0.105 nan 8.190 nan 0.000 0.433 355 F N 5.162 125.085 119.950 -0.045 0.000 2.622 355 F HA 0.462 4.989 4.527 -0.001 0.000 0.288 355 F C 0.650 176.430 175.800 -0.034 0.000 1.120 355 F CA 0.127 58.106 58.000 -0.036 0.000 1.423 355 F CB 0.719 39.699 39.000 -0.034 0.000 1.127 355 F HN 0.307 nan 8.300 nan 0.000 0.588 356 V N 1.091 121.077 119.914 0.120 0.000 2.483 356 V HA 0.462 4.582 4.120 -0.001 0.000 0.297 356 V C -0.656 175.439 176.094 0.002 0.000 1.027 356 V CA -0.882 61.452 62.300 0.056 0.000 0.855 356 V CB 2.012 33.872 31.823 0.062 0.000 0.995 356 V HN 0.011 nan 8.190 nan 0.000 0.424 357 R N 4.351 124.841 120.500 -0.018 0.000 2.439 357 R HA 0.565 4.905 4.340 -0.001 0.000 0.310 357 R C 0.233 176.516 176.300 -0.029 0.000 0.955 357 R CA -0.171 55.907 56.100 -0.037 0.000 0.853 357 R CB 0.942 31.208 30.300 -0.057 0.000 1.171 357 R HN 0.948 nan 8.270 nan 0.000 0.449 358 N N 1.506 120.188 118.700 -0.030 0.000 1.736 358 N HA -0.200 4.540 4.740 -0.001 0.000 0.186 358 N C 0.712 176.205 175.510 -0.029 0.000 0.790 358 N CA 1.613 54.645 53.050 -0.029 0.000 1.247 358 N CB -1.361 37.109 38.487 -0.028 0.000 1.496 358 N HN 0.668 nan 8.380 nan 0.000 0.424 359 G N 1.291 110.075 108.800 -0.028 0.000 3.020 359 G HA2 0.181 4.140 3.960 -0.001 0.000 0.217 359 G HA3 0.181 4.140 3.960 -0.001 0.000 0.217 359 G C 0.255 175.146 174.900 -0.015 0.000 1.144 359 G CA 0.745 45.826 45.100 -0.031 0.000 0.760 359 G HN 0.617 nan 8.290 nan 0.000 0.548 360 K N -0.241 120.155 120.400 -0.006 0.000 2.466 360 K HA 0.761 5.081 4.320 -0.001 0.000 0.260 360 K C -0.228 176.382 176.600 0.016 0.000 1.011 360 K CA -0.689 55.601 56.287 0.005 0.000 0.871 360 K CB 1.154 33.654 32.500 -0.000 0.000 1.404 360 K HN 0.013 nan 8.250 nan 0.000 0.450 361 A N 0.408 123.243 122.820 0.025 0.000 2.567 361 A HA 0.305 4.625 4.320 -0.001 0.000 0.236 361 A C 0.150 177.748 177.584 0.023 0.000 1.088 361 A CA 0.235 52.297 52.037 0.042 0.000 0.776 361 A CB -0.280 18.750 19.000 0.050 0.000 1.033 361 A HN 0.801 nan 8.150 nan 0.000 0.513 362 V N -1.080 118.847 119.914 0.022 0.000 2.509 362 V HA 0.677 4.796 4.120 -0.001 0.000 0.289 362 V C 0.306 176.390 176.094 -0.016 0.000 1.026 362 V CA -0.417 61.877 62.300 -0.010 0.000 0.872 362 V CB 0.114 31.914 31.823 -0.039 0.000 1.017 362 V HN 1.596 nan 8.190 nan 0.000 0.436 363 A N 0.000 122.815 122.820 -0.009 0.000 2.254 363 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 363 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 363 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486