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 1zrs_1_A DATA FIRST_RESID 5 DATA SEQUENCE PSSDQTWQPI DGRVALIAPA SAIATEVLEA TLRQLEVHGV DYHLGRHVEA DATA SEQUENCE RYRYLAGTVE QRLEDLHNAF DMPDITAVWC LRGGYGCGQL LPGLDWGRLE DATA SEQUENCE AASPRPLIGF SDISVLLSAF HRHGLPAIHG PVATGLGLXX XXXXXXXQER DATA SEQUENCE LASLASVSRL LAGIDHELPV QHLGGHKQRV EGALIGGNLT ALACMAGTLG DATA SEQUENCE GLHAPAGSIL VLEDVGEPYY RLERSLWQLL ESIDARQLGA ICLGSFTDCP DATA SEQUENCE RKEVAHSLER IFGEYAAAIE VPLYHHLPSG HGAQNRAWPY GKTAVLEGNR DATA SEQUENCE LRW 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.316 177.300 0.026 0.000 1.155 5 P CA 0.000 63.112 63.100 0.020 0.000 0.800 5 P CB 0.000 31.708 31.700 0.013 0.000 0.726 6 S N -1.058 114.660 115.700 0.030 0.000 2.618 6 S HA 0.783 5.256 4.470 0.005 0.000 0.277 6 S C -0.394 174.229 174.600 0.037 0.000 1.138 6 S CA -0.778 57.445 58.200 0.038 0.000 0.844 6 S CB 1.719 64.950 63.200 0.051 0.000 1.127 6 S HN 0.592 nan 8.310 nan 0.000 0.474 7 S N 0.251 115.978 115.700 0.045 0.000 2.568 7 S HA 0.117 4.590 4.470 0.005 0.000 0.282 7 S C 0.962 175.590 174.600 0.048 0.000 1.338 7 S CA 0.340 58.567 58.200 0.045 0.000 1.045 7 S CB -0.044 63.189 63.200 0.054 0.000 0.873 7 S HN 0.819 nan 8.310 nan 0.000 0.516 8 D N 2.793 123.215 120.400 0.037 0.000 2.309 8 D HA -0.136 4.507 4.640 0.005 0.000 0.212 8 D C 1.293 177.622 176.300 0.048 0.000 0.968 8 D CA 1.136 55.153 54.000 0.029 0.000 0.882 8 D CB -0.308 40.502 40.800 0.017 0.000 0.918 8 D HN 0.592 nan 8.370 nan 0.000 0.503 9 Q N -0.401 119.447 119.800 0.081 0.000 2.451 9 Q HA 0.160 4.503 4.340 0.005 0.000 0.206 9 Q C -0.020 176.116 176.000 0.228 0.000 0.947 9 Q CA 0.478 56.364 55.803 0.138 0.000 0.937 9 Q CB 0.311 29.127 28.738 0.131 0.000 1.025 9 Q HN 0.150 nan 8.270 nan 0.000 0.511 10 T N 1.267 115.929 114.554 0.181 0.000 2.729 10 T HA 0.141 4.494 4.350 0.005 0.000 0.296 10 T C -0.625 174.240 174.700 0.275 0.000 0.928 10 T CA -0.537 61.702 62.100 0.232 0.000 1.045 10 T CB 0.163 69.118 68.868 0.144 0.000 0.902 10 T HN 0.149 nan 8.240 nan 0.000 0.500 11 W N 2.525 123.851 121.300 0.043 0.000 2.126 11 W HA 0.303 4.965 4.660 0.004 0.000 0.346 11 W C 0.716 177.254 176.519 0.032 0.000 1.279 11 W CA -0.667 56.681 57.345 0.005 0.000 1.259 11 W CB 0.294 29.731 29.460 -0.038 0.000 1.133 11 W HN 0.373 nan 8.180 nan 0.000 0.592 12 Q N 1.980 121.905 119.800 0.209 0.000 2.222 12 Q HA 0.357 4.701 4.340 0.005 0.000 0.252 12 Q C -2.023 174.093 176.000 0.193 0.000 0.926 12 Q CA -2.141 53.752 55.803 0.151 0.000 0.899 12 Q CB 0.436 29.211 28.738 0.061 0.000 1.250 12 Q HN 0.047 nan 8.270 nan 0.000 0.441 13 P HA 0.085 nan 4.420 nan 0.000 0.267 13 P C -0.513 176.864 177.300 0.128 0.000 1.200 13 P CA 0.406 63.597 63.100 0.152 0.000 0.772 13 P CB 0.402 32.164 31.700 0.104 0.000 0.855 14 I N 2.336 122.995 120.570 0.148 0.000 2.354 14 I HA 0.237 4.410 4.170 0.005 0.000 0.286 14 I C 0.411 176.582 176.117 0.091 0.000 1.007 14 I CA -0.597 60.769 61.300 0.110 0.000 1.167 14 I CB 1.176 39.263 38.000 0.145 0.000 1.320 14 I HN 0.188 nan 8.210 nan 0.000 0.458 15 D N 4.068 124.505 120.400 0.061 0.000 2.329 15 D HA 0.580 5.224 4.640 0.005 0.000 0.246 15 D C 0.643 176.967 176.300 0.040 0.000 1.111 15 D CA 0.968 54.996 54.000 0.047 0.000 0.941 15 D CB 1.459 42.280 40.800 0.035 0.000 1.169 15 D HN 0.779 nan 8.370 nan 0.000 0.441 16 G N 1.238 110.057 108.800 0.031 0.000 2.562 16 G HA2 -0.249 3.715 3.960 0.005 0.000 0.250 16 G HA3 -0.249 3.715 3.960 0.005 0.000 0.250 16 G C -0.338 174.584 174.900 0.035 0.000 1.269 16 G CA -0.043 45.071 45.100 0.022 0.000 0.919 16 G HN 0.692 nan 8.290 nan 0.000 0.574 17 R N -1.147 119.371 120.500 0.031 0.000 2.599 17 R HA 0.604 4.947 4.340 0.005 0.000 0.295 17 R C -0.609 175.738 176.300 0.078 0.000 0.963 17 R CA -0.720 55.411 56.100 0.052 0.000 0.883 17 R CB 1.896 32.211 30.300 0.025 0.000 1.171 17 R HN 0.571 nan 8.270 nan 0.000 0.450 18 V N 3.836 123.839 119.914 0.148 0.000 2.364 18 V HA 0.397 4.520 4.120 0.005 0.000 0.272 18 V C 0.221 176.436 176.094 0.202 0.000 1.036 18 V CA -0.714 61.695 62.300 0.183 0.000 0.880 18 V CB 1.193 33.190 31.823 0.290 0.000 0.991 18 V HN 0.917 nan 8.190 nan 0.000 0.460 19 A N 6.980 129.883 122.820 0.138 0.000 2.404 19 A HA 0.625 4.949 4.320 0.005 0.000 0.273 19 A C -0.311 177.370 177.584 0.161 0.000 1.144 19 A CA -0.206 51.925 52.037 0.157 0.000 0.806 19 A CB -0.093 18.946 19.000 0.066 0.000 1.080 19 A HN 0.827 nan 8.150 nan 0.000 0.509 20 L N 4.430 125.742 121.223 0.150 0.000 2.272 20 L HA 0.621 4.964 4.340 0.005 0.000 0.289 20 L C -0.004 176.897 176.870 0.051 0.000 1.032 20 L CA -0.285 54.594 54.840 0.066 0.000 0.810 20 L CB 0.783 42.827 42.059 -0.026 0.000 1.205 20 L HN 0.770 nan 8.230 nan 0.000 0.422 21 I N 0.233 120.826 120.570 0.038 0.000 3.042 21 I HA 0.910 5.083 4.170 0.005 0.000 0.310 21 I C -0.589 175.527 176.117 -0.003 0.000 1.117 21 I CA -0.930 60.388 61.300 0.031 0.000 1.003 21 I CB 2.495 40.527 38.000 0.054 0.000 1.228 21 I HN 0.500 nan 8.210 nan 0.000 0.443 22 A N 3.668 126.484 122.820 -0.006 0.000 2.893 22 A HA 0.630 4.953 4.320 0.005 0.000 0.333 22 A C -2.247 175.318 177.584 -0.032 0.000 1.152 22 A CA -1.154 50.869 52.037 -0.024 0.000 0.782 22 A CB -0.051 18.937 19.000 -0.020 0.000 1.108 22 A HN 0.674 nan 8.150 nan 0.000 0.469 23 P HA 0.204 nan 4.420 nan 0.000 0.255 23 P C 0.729 177.971 177.300 -0.097 0.000 1.248 23 P CA 1.180 64.237 63.100 -0.073 0.000 0.807 23 P CB 0.832 32.484 31.700 -0.080 0.000 1.150 24 A N -0.349 122.419 122.820 -0.088 0.000 2.751 24 A HA 0.543 4.866 4.320 0.005 0.000 0.201 24 A C 0.450 178.001 177.584 -0.054 0.000 1.619 24 A CA 0.062 52.032 52.037 -0.112 0.000 1.607 24 A CB -0.420 18.513 19.000 -0.111 0.000 1.580 24 A HN -0.010 nan 8.150 nan 0.000 0.499 25 S N 0.112 115.800 115.700 -0.019 0.000 2.617 25 S HA 0.575 5.048 4.470 0.005 0.000 0.269 25 S C 0.439 175.055 174.600 0.027 0.000 1.292 25 S CA -0.038 58.186 58.200 0.041 0.000 1.010 25 S CB 1.152 64.381 63.200 0.048 0.000 0.944 25 S HN 1.027 nan 8.310 nan 0.000 0.536 26 A N 1.978 124.831 122.820 0.054 0.000 2.406 26 A HA 0.491 4.814 4.320 0.005 0.000 0.243 26 A C -0.198 177.394 177.584 0.014 0.000 1.082 26 A CA -0.210 51.847 52.037 0.033 0.000 0.786 26 A CB -0.059 18.969 19.000 0.045 0.000 1.029 26 A HN 0.616 nan 8.150 nan 0.000 0.495 27 I N 0.758 121.328 120.570 -0.001 0.000 2.404 27 I HA 0.452 4.625 4.170 0.005 0.000 0.293 27 I C 0.753 176.861 176.117 -0.016 0.000 0.992 27 I CA -0.484 60.805 61.300 -0.019 0.000 1.149 27 I CB 0.767 38.745 38.000 -0.037 0.000 1.315 27 I HN 0.715 nan 8.210 nan 0.000 0.446 28 A N 4.422 127.231 122.820 -0.018 0.000 2.388 28 A HA 0.398 4.721 4.320 0.005 0.000 0.257 28 A C 1.235 178.803 177.584 -0.027 0.000 1.095 28 A CA -0.091 51.937 52.037 -0.017 0.000 0.791 28 A CB 0.195 19.187 19.000 -0.013 0.000 1.029 28 A HN 0.843 nan 8.150 nan 0.000 0.489 29 T N 1.043 115.583 114.554 -0.023 0.000 2.777 29 T HA -0.126 4.227 4.350 0.005 0.000 0.266 29 T C 1.792 176.471 174.700 -0.036 0.000 1.040 29 T CA 2.033 64.115 62.100 -0.030 0.000 1.141 29 T CB -0.141 68.713 68.868 -0.022 0.000 0.868 29 T HN 0.817 nan 8.240 nan 0.000 0.444 30 E N 0.787 120.970 120.200 -0.029 0.000 2.106 30 E HA -0.070 4.283 4.350 0.005 0.000 0.192 30 E C 2.078 178.654 176.600 -0.040 0.000 0.984 30 E CA 0.671 57.053 56.400 -0.031 0.000 0.806 30 E CB -0.436 29.251 29.700 -0.022 0.000 0.750 30 E HN 0.250 nan 8.360 nan 0.000 0.458 31 V N 0.686 120.576 119.914 -0.041 0.000 2.358 31 V HA -0.203 3.920 4.120 0.005 0.000 0.246 31 V C 2.335 178.383 176.094 -0.077 0.000 1.047 31 V CA 1.495 63.765 62.300 -0.050 0.000 1.035 31 V CB -0.562 31.235 31.823 -0.042 0.000 0.658 31 V HN 0.318 nan 8.190 nan 0.000 0.452 32 L N 0.286 121.460 121.223 -0.082 0.000 2.042 32 L HA -0.149 4.195 4.340 0.005 0.000 0.210 32 L C 2.490 179.286 176.870 -0.122 0.000 1.076 32 L CA 1.962 56.735 54.840 -0.113 0.000 0.749 32 L CB -0.829 41.170 42.059 -0.098 0.000 0.893 32 L HN 0.283 nan 8.230 nan 0.000 0.432 33 E N -0.086 120.061 120.200 -0.088 0.000 2.072 33 E HA -0.159 4.195 4.350 0.005 0.000 0.191 33 E C 2.209 178.760 176.600 -0.083 0.000 0.985 33 E CA 1.344 57.696 56.400 -0.079 0.000 0.801 33 E CB -0.520 29.150 29.700 -0.051 0.000 0.750 33 E HN 0.617 nan 8.360 nan 0.000 0.452 34 A N 0.845 123.622 122.820 -0.072 0.000 1.972 34 A HA -0.151 4.172 4.320 0.005 0.000 0.219 34 A C 2.437 179.969 177.584 -0.086 0.000 1.169 34 A CA 1.951 53.950 52.037 -0.064 0.000 0.635 34 A CB -0.823 18.149 19.000 -0.047 0.000 0.810 34 A HN 0.221 nan 8.150 nan 0.000 0.446 35 T N 0.610 115.091 114.554 -0.122 0.000 2.708 35 T HA -0.107 4.246 4.350 0.005 0.000 0.266 35 T C 1.787 176.365 174.700 -0.204 0.000 1.037 35 T CA 1.524 63.522 62.100 -0.170 0.000 1.146 35 T CB -0.392 68.340 68.868 -0.226 0.000 0.865 35 T HN 0.394 nan 8.240 nan 0.000 0.435 36 L N 1.034 122.107 121.223 -0.250 0.000 2.131 36 L HA -0.112 4.232 4.340 0.005 0.000 0.210 36 L C 2.798 179.595 176.870 -0.120 0.000 1.092 36 L CA 1.519 56.160 54.840 -0.331 0.000 0.759 36 L CB -0.586 41.268 42.059 -0.342 0.000 0.903 36 L HN 0.353 nan 8.230 nan 0.000 0.435 37 R N -0.401 120.052 120.500 -0.079 0.000 2.090 37 R HA -0.137 4.206 4.340 0.005 0.000 0.228 37 R C 2.138 178.409 176.300 -0.048 0.000 1.110 37 R CA 0.891 56.967 56.100 -0.040 0.000 0.973 37 R CB -0.352 29.922 30.300 -0.042 0.000 0.869 37 R HN 0.210 nan 8.270 nan 0.000 0.440 38 Q N 1.048 120.816 119.800 -0.053 0.000 2.119 38 Q HA -0.027 4.316 4.340 0.005 0.000 0.201 38 Q C 2.301 178.299 176.000 -0.004 0.000 0.972 38 Q CA 1.365 57.147 55.803 -0.036 0.000 0.847 38 Q CB -0.223 28.521 28.738 0.010 0.000 0.903 38 Q HN 0.440 nan 8.270 nan 0.000 0.433 39 L N 0.490 121.718 121.223 0.008 0.000 2.042 39 L HA -0.210 4.133 4.340 0.005 0.000 0.210 39 L C 2.272 179.214 176.870 0.119 0.000 1.076 39 L CA 1.269 56.168 54.840 0.098 0.000 0.749 39 L CB -0.318 41.805 42.059 0.106 0.000 0.893 39 L HN 0.265 nan 8.230 nan 0.000 0.432 40 E N -0.570 119.690 120.200 0.099 0.000 2.106 40 E HA -0.176 4.178 4.350 0.005 0.000 0.192 40 E C 2.291 178.868 176.600 -0.038 0.000 0.984 40 E CA 1.005 57.449 56.400 0.074 0.000 0.806 40 E CB 0.010 29.761 29.700 0.084 0.000 0.750 40 E HN 0.227 nan 8.360 nan 0.000 0.458 41 V N 0.675 120.514 119.914 -0.124 0.000 2.392 41 V HA -0.252 3.872 4.120 0.005 0.000 0.249 41 V C 1.286 177.136 176.094 -0.407 0.000 1.059 41 V CA 1.964 64.097 62.300 -0.277 0.000 1.051 41 V CB -0.484 31.113 31.823 -0.377 0.000 0.658 41 V HN 0.318 nan 8.190 nan 0.000 0.455 42 H N -0.597 118.321 119.070 -0.254 0.000 2.526 42 H HA 0.368 4.927 4.556 0.005 0.000 0.274 42 H C 1.610 176.889 175.328 -0.082 0.000 0.999 42 H CA 0.537 56.407 56.048 -0.298 0.000 1.157 42 H CB 0.061 29.393 29.762 -0.716 0.000 1.407 42 H HN 0.472 nan 8.280 nan 0.000 0.568 43 G N 0.810 109.630 108.800 0.033 0.000 2.221 43 G HA2 -0.273 3.690 3.960 0.005 0.000 0.265 43 G HA3 -0.273 3.690 3.960 0.005 0.000 0.265 43 G C -0.201 174.766 174.900 0.112 0.000 1.041 43 G CA 0.348 45.483 45.100 0.058 0.000 0.807 43 G HN 0.245 nan 8.290 nan 0.000 0.502 44 V N 0.803 120.817 119.914 0.168 0.000 2.383 44 V HA 0.402 4.525 4.120 0.005 0.000 0.275 44 V C 0.325 176.535 176.094 0.193 0.000 1.036 44 V CA -0.718 61.716 62.300 0.224 0.000 0.889 44 V CB 1.690 33.719 31.823 0.343 0.000 0.985 44 V HN 0.391 nan 8.190 nan 0.000 0.459 45 D N 4.699 125.163 120.400 0.106 0.000 2.312 45 D HA 0.322 4.965 4.640 0.005 0.000 0.252 45 D C -0.647 175.692 176.300 0.065 0.000 1.150 45 D CA 0.137 54.126 54.000 -0.019 0.000 0.870 45 D CB 0.578 41.365 40.800 -0.022 0.000 1.153 45 D HN 0.503 nan 8.370 nan 0.000 0.457 46 Y N 0.901 121.247 120.300 0.077 0.000 2.602 46 Y HA 0.555 5.109 4.550 0.006 0.000 0.342 46 Y C -0.903 175.062 175.900 0.108 0.000 1.029 46 Y CA -1.213 56.941 58.100 0.090 0.000 1.080 46 Y CB 1.244 39.740 38.460 0.061 0.000 1.284 46 Y HN 0.377 nan 8.280 nan 0.000 0.485 47 H N 2.831 122.045 119.070 0.239 0.000 2.744 47 H HA 0.461 5.020 4.556 0.005 0.000 0.339 47 H C -1.869 173.560 175.328 0.168 0.000 1.004 47 H CA -0.762 55.379 56.048 0.154 0.000 1.257 47 H CB 1.504 31.301 29.762 0.059 0.000 1.552 47 H HN 0.865 nan 8.280 nan 0.000 0.522 48 L N 4.203 125.270 121.223 -0.260 0.000 2.305 48 L HA 0.283 4.626 4.340 0.005 0.000 0.281 48 L C 1.348 178.008 176.870 -0.350 0.000 1.085 48 L CA -0.587 54.128 54.840 -0.208 0.000 0.813 48 L CB 1.143 43.120 42.059 -0.137 0.000 1.157 48 L HN 0.725 nan 8.230 nan 0.000 0.436 49 G N 1.839 110.589 108.800 -0.083 0.000 2.414 49 G HA2 -0.020 3.943 3.960 0.005 0.000 0.236 49 G HA3 -0.020 3.943 3.960 0.005 0.000 0.236 49 G C 0.804 175.649 174.900 -0.092 0.000 1.293 49 G CA -0.257 44.840 45.100 -0.005 0.000 0.869 49 G HN 0.825 nan 8.290 nan 0.000 0.556 50 R N 0.265 120.686 120.500 -0.131 0.000 2.159 50 R HA -0.126 4.217 4.340 0.005 0.000 0.237 50 R C 1.108 177.201 176.300 -0.346 0.000 1.131 50 R CA 1.541 57.470 56.100 -0.285 0.000 0.982 50 R CB -0.063 29.986 30.300 -0.418 0.000 0.868 50 R HN 0.819 nan 8.270 nan 0.000 0.453 51 H N -1.460 117.604 119.070 -0.009 0.000 2.505 51 H HA 0.058 4.617 4.556 0.005 0.000 0.286 51 H C 1.466 176.781 175.328 -0.021 0.000 1.072 51 H CA 0.085 56.123 56.048 -0.016 0.000 1.141 51 H CB 0.914 30.665 29.762 -0.017 0.000 1.550 51 H HN 0.067 nan 8.280 nan 0.000 0.547 52 V N -1.420 118.522 119.914 0.048 0.000 2.867 52 V HA -0.141 3.982 4.120 0.005 0.000 0.260 52 V C 1.217 177.315 176.094 0.008 0.000 1.099 52 V CA 1.572 63.882 62.300 0.015 0.000 1.122 52 V CB -0.047 31.760 31.823 -0.026 0.000 0.708 52 V HN 0.392 nan 8.190 nan 0.000 0.490 53 E N 0.965 121.174 120.200 0.014 0.000 2.463 53 E HA 0.472 4.825 4.350 0.005 0.000 0.193 53 E C 1.060 177.678 176.600 0.031 0.000 1.041 53 E CA 0.282 56.688 56.400 0.010 0.000 0.879 53 E CB 0.512 30.210 29.700 -0.004 0.000 0.997 53 E HN 0.751 nan 8.360 nan 0.000 0.478 54 A N 1.639 124.492 122.820 0.056 0.000 2.445 54 A HA 0.328 4.651 4.320 0.005 0.000 0.242 54 A C 0.024 177.636 177.584 0.046 0.000 1.075 54 A CA 0.150 52.222 52.037 0.058 0.000 0.777 54 A CB 0.311 19.349 19.000 0.063 0.000 1.013 54 A HN 0.087 nan 8.150 nan 0.000 0.493 55 R N -0.186 120.347 120.500 0.054 0.000 2.575 55 R HA 0.513 4.856 4.340 0.005 0.000 0.293 55 R C -1.847 174.518 176.300 0.109 0.000 0.983 55 R CA -0.307 55.825 56.100 0.053 0.000 0.887 55 R CB 1.744 32.057 30.300 0.022 0.000 1.184 55 R HN 0.687 nan 8.270 nan 0.000 0.445 56 Y N 4.439 124.695 120.300 -0.073 0.000 2.317 56 Y HA 0.224 4.777 4.550 0.005 0.000 0.329 56 Y C 0.167 175.960 175.900 -0.179 0.000 1.101 56 Y CA -0.730 57.307 58.100 -0.105 0.000 1.228 56 Y CB 0.418 38.821 38.460 -0.095 0.000 1.123 56 Y HN 0.813 nan 8.280 nan 0.000 0.457 57 R N 1.413 121.609 120.500 -0.506 0.000 3.657 57 R HA -0.407 3.936 4.340 0.005 0.000 0.533 57 R C 0.008 176.113 176.300 -0.326 0.000 0.241 57 R CA 2.314 58.102 56.100 -0.519 0.000 1.659 57 R CB -1.657 28.139 30.300 -0.840 0.000 0.920 57 R HN 0.678 nan 8.270 nan 0.000 0.599 58 Y N 0.609 120.907 120.300 -0.003 0.000 2.583 58 Y HA 0.463 5.016 4.550 0.005 0.000 0.293 58 Y C 1.131 177.057 175.900 0.042 0.000 1.157 58 Y CA -0.342 57.774 58.100 0.027 0.000 1.315 58 Y CB -0.258 38.230 38.460 0.047 0.000 1.021 58 Y HN 0.181 nan 8.280 nan 0.000 0.536 59 L N 1.052 122.369 121.223 0.156 0.000 2.418 59 L HA 0.474 4.817 4.340 0.005 0.000 0.265 59 L C 0.837 177.754 176.870 0.079 0.000 1.143 59 L CA -0.744 54.180 54.840 0.139 0.000 0.809 59 L CB 0.799 42.931 42.059 0.120 0.000 1.124 59 L HN 0.166 nan 8.230 nan 0.000 0.456 60 A N 2.642 125.487 122.820 0.042 0.000 3.048 60 A HA 0.525 4.848 4.320 0.005 0.000 0.264 60 A C 0.839 178.430 177.584 0.012 0.000 1.796 60 A CA 0.478 52.531 52.037 0.025 0.000 1.445 60 A CB -1.469 17.534 19.000 0.006 0.000 1.074 60 A HN 1.004 nan 8.150 nan 0.000 0.621 61 G N 0.272 109.093 108.800 0.035 0.000 2.757 61 G HA2 0.102 4.065 3.960 0.005 0.000 0.638 61 G HA3 0.102 4.065 3.960 0.005 0.000 0.638 61 G C 0.112 174.960 174.900 -0.087 0.000 1.344 61 G CA -0.236 44.851 45.100 -0.021 0.000 0.855 61 G HN 1.794 nan 8.290 nan 0.000 0.537 62 T N -2.035 112.362 114.554 -0.261 0.000 2.813 62 T HA 0.465 4.818 4.350 0.005 0.000 0.297 62 T C 1.840 176.406 174.700 -0.224 0.000 1.036 62 T CA 0.381 62.268 62.100 -0.356 0.000 1.044 62 T CB 1.346 69.941 68.868 -0.455 0.000 0.993 62 T HN 1.475 nan 8.240 nan 0.000 0.535 63 V N 1.031 120.832 119.914 -0.187 0.000 2.324 63 V HA -0.199 3.924 4.120 0.005 0.000 0.250 63 V C 2.828 178.830 176.094 -0.154 0.000 1.060 63 V CA 2.486 64.700 62.300 -0.143 0.000 1.042 63 V CB -1.080 30.679 31.823 -0.107 0.000 0.650 63 V HN 1.078 nan 8.190 nan 0.000 0.450 64 E N -0.371 119.728 120.200 -0.168 0.000 2.077 64 E HA -0.273 4.080 4.350 0.005 0.000 0.193 64 E C 2.288 178.779 176.600 -0.180 0.000 0.989 64 E CA 1.501 57.813 56.400 -0.147 0.000 0.800 64 E CB -0.095 29.524 29.700 -0.135 0.000 0.746 64 E HN 0.702 nan 8.360 nan 0.000 0.452 65 Q N -0.058 119.565 119.800 -0.294 0.000 2.084 65 Q HA -0.154 4.189 4.340 0.005 0.000 0.202 65 Q C 2.352 178.229 176.000 -0.205 0.000 0.978 65 Q CA 1.464 56.966 55.803 -0.502 0.000 0.844 65 Q CB -0.069 28.235 28.738 -0.723 0.000 0.898 65 Q HN 0.196 nan 8.270 nan 0.000 0.426 66 R N 0.162 120.571 120.500 -0.152 0.000 2.090 66 R HA -0.042 4.301 4.340 0.005 0.000 0.228 66 R C 2.280 178.516 176.300 -0.107 0.000 1.110 66 R CA 0.781 56.829 56.100 -0.086 0.000 0.973 66 R CB -0.165 30.076 30.300 -0.100 0.000 0.869 66 R HN 0.234 nan 8.270 nan 0.000 0.440 67 L N 0.542 121.670 121.223 -0.157 0.000 2.083 67 L HA -0.176 4.167 4.340 0.005 0.000 0.209 67 L C 2.570 179.324 176.870 -0.193 0.000 1.083 67 L CA 1.270 55.947 54.840 -0.272 0.000 0.752 67 L CB -0.346 41.566 42.059 -0.246 0.000 0.899 67 L HN 0.297 nan 8.230 nan 0.000 0.433 68 E N 0.294 120.484 120.200 -0.016 0.000 2.051 68 E HA -0.261 4.092 4.350 0.005 0.000 0.192 68 E C 1.565 178.238 176.600 0.122 0.000 0.991 68 E CA 1.709 58.173 56.400 0.106 0.000 0.799 68 E CB 0.129 29.933 29.700 0.173 0.000 0.748 68 E HN 0.416 nan 8.360 nan 0.000 0.449 69 D N 0.327 120.802 120.400 0.125 0.000 2.144 69 D HA -0.142 4.501 4.640 0.005 0.000 0.200 69 D C 1.883 178.242 176.300 0.099 0.000 0.978 69 D CA 0.561 54.634 54.000 0.121 0.000 0.833 69 D CB -0.195 40.676 40.800 0.118 0.000 0.961 69 D HN 0.184 nan 8.370 nan 0.000 0.470 70 L N 0.169 121.406 121.223 0.023 0.000 2.027 70 L HA -0.098 4.245 4.340 0.005 0.000 0.206 70 L C 1.894 178.867 176.870 0.172 0.000 1.074 70 L CA 1.906 56.778 54.840 0.053 0.000 0.745 70 L CB -0.759 41.236 42.059 -0.107 0.000 0.898 70 L HN 0.124 nan 8.230 nan 0.000 0.433 71 H N -0.809 118.313 119.070 0.085 0.000 2.352 71 H HA -0.173 4.386 4.556 0.005 0.000 0.299 71 H C 2.098 177.506 175.328 0.133 0.000 1.097 71 H CA 1.419 57.512 56.048 0.076 0.000 1.311 71 H CB -0.078 29.682 29.762 -0.003 0.000 1.377 71 H HN 0.503 nan 8.280 nan 0.000 0.504 72 N N 1.033 119.865 118.700 0.220 0.000 2.223 72 N HA -0.147 4.596 4.740 0.005 0.000 0.185 72 N C 1.982 177.540 175.510 0.080 0.000 1.016 72 N CA 0.932 54.059 53.050 0.128 0.000 0.863 72 N CB -0.032 38.518 38.487 0.105 0.000 0.983 72 N HN 0.353 nan 8.380 nan 0.000 0.429 73 A N -0.171 122.721 122.820 0.119 0.000 2.019 73 A HA -0.063 4.260 4.320 0.005 0.000 0.219 73 A C 1.582 179.045 177.584 -0.201 0.000 1.164 73 A CA 0.858 52.886 52.037 -0.014 0.000 0.644 73 A CB -0.646 18.371 19.000 0.029 0.000 0.805 73 A HN 0.384 nan 8.150 nan 0.000 0.449 74 F N -0.464 119.517 119.950 0.052 0.000 2.698 74 F HA 0.056 4.586 4.527 0.005 0.000 0.295 74 F C 1.606 177.416 175.800 0.016 0.000 1.124 74 F CA 0.471 58.498 58.000 0.044 0.000 1.426 74 F CB 0.241 39.276 39.000 0.058 0.000 1.120 74 F HN 0.135 nan 8.300 nan 0.000 0.583 75 D N 0.107 120.583 120.400 0.127 0.000 2.194 75 D HA -0.010 4.633 4.640 0.005 0.000 0.204 75 D C 0.899 177.195 176.300 -0.007 0.000 0.964 75 D CA 0.825 54.856 54.000 0.052 0.000 0.846 75 D CB -0.062 40.762 40.800 0.040 0.000 0.962 75 D HN 0.189 nan 8.370 nan 0.000 0.490 76 M N 1.560 121.128 119.600 -0.054 0.000 2.184 76 M HA 0.098 4.581 4.480 0.005 0.000 0.351 76 M C -1.516 174.738 176.300 -0.076 0.000 1.395 76 M CA -1.438 53.805 55.300 -0.095 0.000 1.117 76 M CB 1.304 33.794 32.600 -0.184 0.000 1.708 76 M HN -0.244 nan 8.290 nan 0.000 0.468 77 P HA -0.140 nan 4.420 nan 0.000 0.220 77 P C 0.349 177.625 177.300 -0.041 0.000 1.148 77 P CA 1.146 64.224 63.100 -0.037 0.000 0.803 77 P CB -0.071 31.615 31.700 -0.023 0.000 0.782 78 D N -1.586 118.783 120.400 -0.051 0.000 2.328 78 D HA -0.011 4.633 4.640 0.005 0.000 0.221 78 D C 0.389 176.663 176.300 -0.043 0.000 1.072 78 D CA -0.068 53.909 54.000 -0.039 0.000 0.850 78 D CB -0.414 40.367 40.800 -0.032 0.000 0.922 78 D HN 0.064 nan 8.370 nan 0.000 0.516 79 I N 2.175 122.703 120.570 -0.070 0.000 2.416 79 I HA 0.071 4.244 4.170 0.005 0.000 0.288 79 I C 1.443 177.518 176.117 -0.070 0.000 1.051 79 I CA 0.191 61.446 61.300 -0.076 0.000 1.375 79 I CB 1.186 39.104 38.000 -0.137 0.000 1.407 79 I HN 0.020 nan 8.210 nan 0.000 0.516 80 T N 1.854 116.386 114.554 -0.037 0.000 3.010 80 T HA 0.568 4.921 4.350 0.005 0.000 0.257 80 T C 0.401 175.080 174.700 -0.034 0.000 1.020 80 T CA -0.085 61.998 62.100 -0.028 0.000 0.938 80 T CB 0.530 69.395 68.868 -0.004 0.000 1.049 80 T HN 0.658 nan 8.240 nan 0.000 0.522 81 A N 0.439 123.239 122.820 -0.034 0.000 2.604 81 A HA 0.687 5.010 4.320 0.005 0.000 0.295 81 A C -1.549 176.025 177.584 -0.018 0.000 1.067 81 A CA -0.731 51.282 52.037 -0.039 0.000 0.683 81 A CB 1.714 20.684 19.000 -0.050 0.000 1.281 81 A HN 0.259 nan 8.150 nan 0.000 0.407 82 V N 1.732 121.635 119.914 -0.018 0.000 2.325 82 V HA 0.368 4.491 4.120 0.005 0.000 0.280 82 V C -1.198 174.957 176.094 0.103 0.000 1.016 82 V CA -0.357 61.960 62.300 0.029 0.000 0.818 82 V CB 1.071 32.892 31.823 -0.005 0.000 1.019 82 V HN 0.794 nan 8.190 nan 0.000 0.434 83 W N 5.988 127.261 121.300 -0.044 0.000 2.291 83 W HA 0.504 5.167 4.660 0.005 0.000 0.312 83 W C -0.034 176.450 176.519 -0.058 0.000 1.061 83 W CA -1.564 55.747 57.345 -0.058 0.000 1.296 83 W CB 1.204 30.641 29.460 -0.039 0.000 1.223 83 W HN 0.495 nan 8.180 nan 0.000 0.421 84 C N 6.657 126.123 119.300 0.276 0.000 2.637 84 C HA 0.064 4.527 4.460 0.005 0.000 0.418 84 C C 2.173 177.165 174.990 0.004 0.000 1.319 84 C CA -0.254 58.814 59.018 0.084 0.000 1.949 84 C CB -0.223 27.528 27.740 0.017 0.000 2.639 84 C HN 0.725 nan 8.230 nan 0.000 0.594 85 L N 1.676 122.858 121.223 -0.069 0.000 2.131 85 L HA 0.069 4.412 4.340 0.005 0.000 0.206 85 L C 1.374 178.181 176.870 -0.105 0.000 1.087 85 L CA 1.354 56.110 54.840 -0.140 0.000 0.767 85 L CB -0.224 41.761 42.059 -0.123 0.000 0.917 85 L HN 0.693 nan 8.230 nan 0.000 0.441 86 R N -1.763 118.694 120.500 -0.072 0.000 2.643 86 R HA 0.396 4.739 4.340 0.005 0.000 0.269 86 R C -0.196 176.052 176.300 -0.087 0.000 1.037 86 R CA -0.031 56.027 56.100 -0.069 0.000 0.894 86 R CB 1.477 31.745 30.300 -0.054 0.000 1.238 86 R HN -0.021 nan 8.270 nan 0.000 0.459 87 G N 0.473 109.195 108.800 -0.129 0.000 3.348 87 G HA2 0.497 4.460 3.960 0.005 0.000 0.180 87 G HA3 0.497 4.460 3.960 0.005 0.000 0.180 87 G C 0.628 175.474 174.900 -0.090 0.000 1.915 87 G CA 0.409 45.416 45.100 -0.155 0.000 0.937 87 G HN 1.055 nan 8.290 nan 0.000 0.564 88 G N -0.960 107.794 108.800 -0.077 0.000 3.675 88 G HA2 -0.056 3.907 3.960 0.005 0.000 0.275 88 G HA3 -0.056 3.907 3.960 0.005 0.000 0.275 88 G C -0.108 174.830 174.900 0.065 0.000 1.648 88 G CA 0.990 46.083 45.100 -0.011 0.000 1.093 88 G HN 1.783 nan 8.290 nan 0.000 0.617 89 Y N 0.808 121.074 120.300 -0.058 0.000 2.482 89 Y HA 0.553 5.106 4.550 0.005 0.000 0.334 89 Y C 0.592 176.499 175.900 0.011 0.000 1.091 89 Y CA 0.750 58.825 58.100 -0.042 0.000 1.027 89 Y CB 1.374 39.780 38.460 -0.090 0.000 1.306 89 Y HN 2.056 nan 8.280 nan 0.000 0.446 90 G N 1.588 109.844 108.800 -0.906 0.000 2.672 90 G HA2 -0.249 3.714 3.960 0.005 0.000 0.197 90 G HA3 -0.249 3.714 3.960 0.005 0.000 0.197 90 G C 1.063 175.724 174.900 -0.399 0.000 0.995 90 G CA 0.225 44.788 45.100 -0.895 0.000 0.754 90 G HN 1.437 nan 8.290 nan 0.000 0.505 91 C N 1.414 120.570 119.300 -0.241 0.000 2.448 91 C HA 0.443 4.907 4.460 0.005 0.000 0.280 91 C C 2.891 177.827 174.990 -0.090 0.000 1.398 91 C CA 1.453 60.386 59.018 -0.141 0.000 1.774 91 C CB -1.210 26.466 27.740 -0.108 0.000 1.888 91 C HN 0.853 nan 8.230 nan 0.000 0.519 92 G N 0.224 108.986 108.800 -0.063 0.000 2.448 92 G HA2 -0.155 3.808 3.960 0.005 0.000 0.219 92 G HA3 -0.155 3.808 3.960 0.005 0.000 0.219 92 G C 1.713 176.613 174.900 0.001 0.000 1.127 92 G CA 0.697 45.803 45.100 0.009 0.000 0.766 92 G HN 0.767 nan 8.290 nan 0.000 0.552 93 Q N -0.335 119.434 119.800 -0.052 0.000 2.291 93 Q HA 0.052 4.395 4.340 0.005 0.000 0.206 93 Q C 2.295 178.268 176.000 -0.045 0.000 0.976 93 Q CA 0.554 56.336 55.803 -0.036 0.000 0.875 93 Q CB -0.183 28.513 28.738 -0.070 0.000 0.927 93 Q HN 0.489 nan 8.270 nan 0.000 0.450 94 L N -0.087 121.095 121.223 -0.069 0.000 2.492 94 L HA -0.050 4.293 4.340 0.005 0.000 0.223 94 L C 1.955 178.773 176.870 -0.087 0.000 1.132 94 L CA 0.205 54.985 54.840 -0.101 0.000 0.850 94 L CB -0.263 41.712 42.059 -0.141 0.000 0.966 94 L HN 0.247 nan 8.230 nan 0.000 0.454 95 L N 0.358 121.572 121.223 -0.014 0.000 2.046 95 L HA -0.135 4.208 4.340 0.005 0.000 0.208 95 L C 0.033 176.934 176.870 0.052 0.000 1.077 95 L CA 1.395 56.266 54.840 0.052 0.000 0.747 95 L CB -1.806 40.342 42.059 0.147 0.000 0.896 95 L HN 0.231 nan 8.230 nan 0.000 0.432 96 P HA -0.148 nan 4.420 nan 0.000 0.218 96 P C 1.257 178.565 177.300 0.012 0.000 1.148 96 P CA 1.644 64.770 63.100 0.044 0.000 0.822 96 P CB -0.093 31.627 31.700 0.034 0.000 0.784 97 G N -1.829 106.952 108.800 -0.031 0.000 3.126 97 G HA2 0.102 4.065 3.960 0.005 0.000 0.224 97 G HA3 0.102 4.065 3.960 0.005 0.000 0.224 97 G C 0.135 174.992 174.900 -0.070 0.000 1.142 97 G CA -0.089 44.989 45.100 -0.038 0.000 0.759 97 G HN 0.146 nan 8.290 nan 0.000 0.550 98 L N 1.632 122.737 121.223 -0.197 0.000 2.410 98 L HA 0.301 4.644 4.340 0.005 0.000 0.273 98 L C -0.557 176.061 176.870 -0.420 0.000 1.152 98 L CA -0.723 53.880 54.840 -0.396 0.000 0.855 98 L CB 1.067 42.634 42.059 -0.820 0.000 1.129 98 L HN -0.087 nan 8.230 nan 0.000 0.463 99 D N 4.011 124.321 120.400 -0.149 0.000 2.468 99 D HA 0.021 4.664 4.640 0.005 0.000 0.218 99 D C 0.563 176.657 176.300 -0.343 0.000 1.155 99 D CA -0.092 53.756 54.000 -0.252 0.000 0.924 99 D CB 0.144 40.730 40.800 -0.356 0.000 1.029 99 D HN 0.553 nan 8.370 nan 0.000 0.515 100 W N 2.554 123.740 121.300 -0.190 0.000 2.363 100 W HA -0.023 4.640 4.660 0.005 0.000 0.296 100 W C 2.433 178.829 176.519 -0.206 0.000 1.212 100 W CA 0.664 57.831 57.345 -0.296 0.000 1.260 100 W CB -0.148 29.095 29.460 -0.362 0.000 1.131 100 W HN 0.518 nan 8.180 nan 0.000 0.530 101 G N 0.380 109.222 108.800 0.069 0.000 2.440 101 G HA2 -0.315 3.648 3.960 0.005 0.000 0.218 101 G HA3 -0.315 3.648 3.960 0.005 0.000 0.218 101 G C 1.481 176.366 174.900 -0.024 0.000 1.154 101 G CA 1.219 46.333 45.100 0.023 0.000 0.767 101 G HN 0.228 nan 8.290 nan 0.000 0.552 102 R N -0.664 119.786 120.500 -0.083 0.000 2.075 102 R HA 0.022 4.365 4.340 0.005 0.000 0.232 102 R C 2.440 178.707 176.300 -0.055 0.000 1.126 102 R CA 0.900 56.947 56.100 -0.087 0.000 0.963 102 R CB -0.294 29.896 30.300 -0.184 0.000 0.858 102 R HN 0.302 nan 8.270 nan 0.000 0.435 103 L N 1.236 122.350 121.223 -0.181 0.000 2.056 103 L HA -0.118 4.225 4.340 0.005 0.000 0.207 103 L C 2.048 178.883 176.870 -0.059 0.000 1.078 103 L CA 1.806 56.444 54.840 -0.336 0.000 0.749 103 L CB -0.564 41.042 42.059 -0.756 0.000 0.901 103 L HN 0.223 nan 8.230 nan 0.000 0.433 104 E N -0.857 119.324 120.200 -0.030 0.000 2.150 104 E HA -0.145 4.208 4.350 0.005 0.000 0.193 104 E C 2.200 178.834 176.600 0.057 0.000 0.985 104 E CA 0.888 57.306 56.400 0.029 0.000 0.814 104 E CB -0.205 29.517 29.700 0.036 0.000 0.752 104 E HN 0.491 nan 8.360 nan 0.000 0.466 105 A N 1.552 124.402 122.820 0.050 0.000 2.015 105 A HA 0.083 4.406 4.320 0.005 0.000 0.219 105 A C 1.418 179.048 177.584 0.076 0.000 1.163 105 A CA 0.864 52.932 52.037 0.051 0.000 0.646 105 A CB -0.237 18.782 19.000 0.033 0.000 0.806 105 A HN 0.238 nan 8.150 nan 0.000 0.448 106 A N 0.457 123.355 122.820 0.129 0.000 2.332 106 A HA 0.521 4.844 4.320 0.005 0.000 0.258 106 A C 0.894 178.549 177.584 0.119 0.000 1.087 106 A CA 0.197 52.320 52.037 0.143 0.000 0.802 106 A CB -0.059 19.096 19.000 0.258 0.000 1.042 106 A HN 0.986 nan 8.150 nan 0.000 0.489 107 S N 1.331 117.075 115.700 0.073 0.000 2.576 107 S HA 0.354 4.827 4.470 0.005 0.000 0.272 107 S C -2.606 172.036 174.600 0.070 0.000 1.352 107 S CA -0.862 57.372 58.200 0.057 0.000 1.021 107 S CB -0.341 62.877 63.200 0.029 0.000 0.887 107 S HN 0.488 nan 8.310 nan 0.000 0.542 108 P HA 0.165 nan 4.420 nan 0.000 0.264 108 P C -0.571 176.761 177.300 0.054 0.000 1.193 108 P CA 0.048 63.199 63.100 0.086 0.000 0.763 108 P CB 0.114 31.855 31.700 0.069 0.000 0.810 109 R N 2.238 122.784 120.500 0.076 0.000 2.921 109 R HA 0.392 4.735 4.340 0.005 0.000 0.269 109 R C -3.233 173.111 176.300 0.073 0.000 1.696 109 R CA -1.972 54.130 56.100 0.004 0.000 1.161 109 R CB 0.368 30.579 30.300 -0.148 0.000 1.337 109 R HN 0.164 nan 8.270 nan 0.000 0.496 110 P HA -0.079 nan 4.420 nan 0.000 0.264 110 P C -0.525 176.779 177.300 0.007 0.000 1.183 110 P CA -0.307 62.824 63.100 0.051 0.000 0.763 110 P CB 0.534 32.211 31.700 -0.039 0.000 0.807 111 L N 5.280 126.505 121.223 0.004 0.000 2.305 111 L HA 0.402 4.745 4.340 0.005 0.000 0.281 111 L C -0.651 176.086 176.870 -0.222 0.000 1.085 111 L CA 0.137 54.884 54.840 -0.155 0.000 0.813 111 L CB 0.030 41.777 42.059 -0.521 0.000 1.157 111 L HN 0.233 nan 8.230 nan 0.000 0.436 112 I N 5.062 125.509 120.570 -0.206 0.000 2.465 112 I HA 0.875 5.048 4.170 0.005 0.000 0.291 112 I C 0.418 176.462 176.117 -0.122 0.000 1.014 112 I CA -0.210 60.927 61.300 -0.273 0.000 1.093 112 I CB 1.742 39.407 38.000 -0.559 0.000 1.267 112 I HN 0.766 nan 8.210 nan 0.000 0.431 113 G N 4.556 113.253 108.800 -0.171 0.000 2.317 113 G HA2 0.487 4.451 3.960 0.005 0.000 0.293 113 G HA3 0.487 4.451 3.960 0.005 0.000 0.293 113 G C -1.607 173.185 174.900 -0.180 0.000 1.287 113 G CA -0.583 44.480 45.100 -0.061 0.000 0.850 113 G HN 0.693 nan 8.290 nan 0.000 0.515 114 F N -1.961 117.747 119.950 -0.403 0.000 3.016 114 F HA 0.816 5.346 4.527 0.004 0.000 0.324 114 F C 0.732 176.382 175.800 -0.251 0.000 1.196 114 F CA 0.365 58.028 58.000 -0.561 0.000 0.929 114 F CB 1.087 39.543 39.000 -0.908 0.000 1.440 114 F HN 1.880 nan 8.300 nan 0.000 0.505 115 S N 0.635 115.988 115.700 -0.580 0.000 4.064 115 S HA -0.412 4.061 4.470 0.005 0.000 0.625 115 S C 0.978 175.478 174.600 -0.166 0.000 2.010 115 S CA 1.826 59.770 58.200 -0.427 0.000 4.186 115 S CB -2.116 60.604 63.200 -0.799 0.000 0.211 115 S HN 1.302 nan 8.310 nan 0.000 0.605 116 D N 0.727 121.041 120.400 -0.143 0.000 2.221 116 D HA -0.075 4.568 4.640 0.005 0.000 0.204 116 D C 1.920 178.173 176.300 -0.078 0.000 0.982 116 D CA 1.781 55.746 54.000 -0.057 0.000 0.857 116 D CB -0.231 40.546 40.800 -0.039 0.000 0.934 116 D HN 0.422 nan 8.370 nan 0.000 0.475 117 I N 0.576 121.062 120.570 -0.141 0.000 2.567 117 I HA -0.176 3.998 4.170 0.005 0.000 0.257 117 I C 2.168 178.200 176.117 -0.141 0.000 1.184 117 I CA 0.696 61.907 61.300 -0.147 0.000 1.451 117 I CB -1.287 36.610 38.000 -0.173 0.000 1.089 117 I HN 0.031 nan 8.210 nan 0.000 0.441 118 S N 1.062 116.712 115.700 -0.083 0.000 2.400 118 S HA -0.179 4.294 4.470 0.005 0.000 0.234 118 S C 2.284 176.869 174.600 -0.024 0.000 1.049 118 S CA 1.438 59.631 58.200 -0.012 0.000 1.039 118 S CB -0.554 62.736 63.200 0.151 0.000 0.856 118 S HN 0.329 nan 8.310 nan 0.000 0.465 119 V N 1.730 121.650 119.914 0.010 0.000 2.287 119 V HA -0.179 3.944 4.120 0.005 0.000 0.248 119 V C 2.173 178.294 176.094 0.045 0.000 1.053 119 V CA 1.662 63.993 62.300 0.051 0.000 1.027 119 V CB -0.654 31.203 31.823 0.058 0.000 0.646 119 V HN 0.432 nan 8.190 nan 0.000 0.447 120 L N -0.896 120.315 121.223 -0.020 0.000 2.109 120 L HA -0.124 4.219 4.340 0.005 0.000 0.207 120 L C 2.370 179.192 176.870 -0.080 0.000 1.086 120 L CA 1.160 55.996 54.840 -0.008 0.000 0.760 120 L CB -0.419 41.554 42.059 -0.142 0.000 0.910 120 L HN 0.314 nan 8.230 nan 0.000 0.437 121 L N -1.023 120.025 121.223 -0.291 0.000 2.012 121 L HA -0.263 4.080 4.340 0.005 0.000 0.210 121 L C 2.841 179.448 176.870 -0.439 0.000 1.073 121 L CA 1.612 56.110 54.840 -0.569 0.000 0.748 121 L CB -0.827 40.592 42.059 -1.065 0.000 0.891 121 L HN 0.281 nan 8.230 nan 0.000 0.431 122 S N -0.047 115.518 115.700 -0.225 0.000 2.359 122 S HA -0.207 4.266 4.470 0.005 0.000 0.224 122 S C 2.142 176.906 174.600 0.274 0.000 1.035 122 S CA 1.351 59.684 58.200 0.222 0.000 1.018 122 S CB -0.160 63.200 63.200 0.268 0.000 0.876 122 S HN 0.424 nan 8.310 nan 0.000 0.448 123 A N 0.267 123.241 122.820 0.258 0.000 1.933 123 A HA 0.073 4.396 4.320 0.005 0.000 0.218 123 A C 1.899 179.669 177.584 0.311 0.000 1.175 123 A CA 1.377 53.587 52.037 0.288 0.000 0.628 123 A CB -0.983 18.294 19.000 0.462 0.000 0.814 123 A HN 0.585 nan 8.150 nan 0.000 0.444 124 F N -0.492 119.570 119.950 0.187 0.000 2.102 124 F HA -0.144 4.386 4.527 0.006 0.000 0.298 124 F C 2.285 178.195 175.800 0.184 0.000 1.105 124 F CA 1.442 59.566 58.000 0.206 0.000 1.239 124 F CB -0.974 38.132 39.000 0.177 0.000 0.991 124 F HN 0.537 nan 8.300 nan 0.000 0.474 125 H N 0.006 119.258 119.070 0.303 0.000 2.319 125 H HA -0.217 4.342 4.556 0.005 0.000 0.299 125 H C 2.630 177.961 175.328 0.005 0.000 1.092 125 H CA 1.645 57.856 56.048 0.270 0.000 1.302 125 H CB -0.087 29.994 29.762 0.532 0.000 1.373 125 H HN 0.135 nan 8.280 nan 0.000 0.497 126 R N -0.234 120.061 120.500 -0.342 0.000 2.127 126 R HA -0.164 4.179 4.340 0.005 0.000 0.238 126 R C 0.935 176.747 176.300 -0.813 0.000 1.134 126 R CA 1.969 57.492 56.100 -0.962 0.000 0.975 126 R CB -0.120 29.662 30.300 -0.864 0.000 0.865 126 R HN 0.501 nan 8.270 nan 0.000 0.447 127 H N -1.643 117.129 119.070 -0.496 0.000 2.519 127 H HA 0.273 4.832 4.556 0.005 0.000 0.289 127 H C 0.634 175.827 175.328 -0.225 0.000 1.040 127 H CA 0.535 56.302 56.048 -0.469 0.000 1.165 127 H CB 1.059 30.356 29.762 -0.776 0.000 1.462 127 H HN 0.481 nan 8.280 nan 0.000 0.555 128 G N 0.904 109.674 108.800 -0.050 0.000 2.198 128 G HA2 -0.291 3.672 3.960 0.005 0.000 0.260 128 G HA3 -0.291 3.672 3.960 0.005 0.000 0.260 128 G C -0.191 174.767 174.900 0.097 0.000 1.025 128 G CA 0.098 45.227 45.100 0.048 0.000 0.769 128 G HN 0.321 nan 8.290 nan 0.000 0.507 129 L N 1.197 122.499 121.223 0.132 0.000 2.317 129 L HA 0.520 4.863 4.340 0.005 0.000 0.281 129 L C -1.503 175.558 176.870 0.319 0.000 1.024 129 L CA -2.455 52.494 54.840 0.181 0.000 0.810 129 L CB 1.815 43.883 42.059 0.016 0.000 1.240 129 L HN -0.057 nan 8.230 nan 0.000 0.427 130 P HA 0.325 nan 4.420 nan 0.000 0.272 130 P C -1.126 176.323 177.300 0.249 0.000 1.223 130 P CA -0.199 63.035 63.100 0.222 0.000 0.784 130 P CB 1.536 33.322 31.700 0.143 0.000 0.923 131 A N 2.296 125.200 122.820 0.140 0.000 2.610 131 A HA 0.758 5.082 4.320 0.005 0.000 0.291 131 A C -1.432 176.127 177.584 -0.043 0.000 1.086 131 A CA -0.615 51.440 52.037 0.031 0.000 0.677 131 A CB 1.125 20.136 19.000 0.018 0.000 1.278 131 A HN 0.428 nan 8.150 nan 0.000 0.414 132 I N 1.685 122.153 120.570 -0.170 0.000 2.534 132 I HA 0.262 4.435 4.170 0.005 0.000 0.288 132 I C -0.764 175.131 176.117 -0.370 0.000 1.077 132 I CA -0.472 60.666 61.300 -0.270 0.000 1.051 132 I CB 2.048 39.854 38.000 -0.322 0.000 1.234 132 I HN 0.826 nan 8.210 nan 0.000 0.425 133 H N 5.893 124.549 119.070 -0.689 0.000 2.782 133 H HA 0.635 5.193 4.556 0.005 0.000 0.285 133 H C -0.407 174.458 175.328 -0.771 0.000 1.093 133 H CA 0.222 55.754 56.048 -0.861 0.000 1.410 133 H CB 0.780 29.510 29.762 -1.720 0.000 1.439 133 H HN 0.858 nan 8.280 nan 0.000 0.469 134 G N 4.719 113.170 108.800 -0.580 0.000 2.554 134 G HA2 0.200 4.163 3.960 0.005 0.000 0.306 134 G HA3 0.200 4.163 3.960 0.005 0.000 0.306 134 G C -3.177 171.498 174.900 -0.376 0.000 1.320 134 G CA -1.220 43.608 45.100 -0.454 0.000 0.800 134 G HN 0.325 nan 8.290 nan 0.000 0.481 135 P HA 0.244 nan 4.420 nan 0.000 0.265 135 P C 0.670 178.153 177.300 0.305 0.000 1.187 135 P CA -0.121 62.925 63.100 -0.089 0.000 0.766 135 P CB 0.663 32.360 31.700 -0.005 0.000 0.820 136 V N 0.457 120.581 119.914 0.350 0.000 3.003 136 V HA 0.370 4.494 4.120 0.005 0.000 0.305 136 V C 1.491 177.574 176.094 -0.018 0.000 1.078 136 V CA 0.356 62.803 62.300 0.245 0.000 1.083 136 V CB 0.013 31.898 31.823 0.103 0.000 1.039 136 V HN 0.619 nan 8.190 nan 0.000 0.481 137 A N 2.093 124.616 122.820 -0.495 0.000 1.972 137 A HA -0.095 4.228 4.320 0.005 0.000 0.219 137 A C 2.186 179.477 177.584 -0.488 0.000 1.169 137 A CA 2.210 53.625 52.037 -1.038 0.000 0.635 137 A CB -1.292 16.915 19.000 -1.320 0.000 0.810 137 A HN 1.452 nan 8.150 nan 0.000 0.446 138 T N -2.689 111.699 114.554 -0.276 0.000 3.025 138 T HA 0.047 4.400 4.350 0.005 0.000 0.270 138 T C 1.689 176.333 174.700 -0.093 0.000 1.126 138 T CA 1.225 63.225 62.100 -0.166 0.000 1.105 138 T CB -0.646 68.156 68.868 -0.110 0.000 0.884 138 T HN 0.414 nan 8.240 nan 0.000 0.522 139 G N 1.608 110.372 108.800 -0.060 0.000 2.479 139 G HA2 -0.051 3.912 3.960 0.005 0.000 0.220 139 G HA3 -0.051 3.912 3.960 0.005 0.000 0.220 139 G C 1.382 176.283 174.900 0.001 0.000 1.115 139 G CA 0.564 45.664 45.100 0.001 0.000 0.757 139 G HN 0.566 nan 8.290 nan 0.000 0.560 140 L N 0.336 121.535 121.223 -0.039 0.000 2.217 140 L HA 0.102 4.445 4.340 0.005 0.000 0.211 140 L C 2.739 179.602 176.870 -0.012 0.000 1.107 140 L CA 0.883 55.726 54.840 0.006 0.000 0.783 140 L CB -0.149 41.891 42.059 -0.031 0.000 0.919 140 L HN 0.289 nan 8.230 nan 0.000 0.442 141 G N -0.708 108.062 108.800 -0.050 0.000 3.189 141 G HA2 0.269 4.232 3.960 0.005 0.000 0.225 141 G HA3 0.269 4.232 3.960 0.005 0.000 0.225 141 G C 0.673 175.557 174.900 -0.027 0.000 1.159 141 G CA -0.337 44.733 45.100 -0.050 0.000 0.763 141 G HN 0.028 nan 8.290 nan 0.000 0.549 153 E N 1.726 121.942 120.200 0.028 0.000 2.085 153 E HA -0.161 4.192 4.350 0.005 0.000 0.194 153 E C 1.940 178.552 176.600 0.019 0.000 0.994 153 E CA 1.498 57.910 56.400 0.020 0.000 0.801 153 E CB -0.002 29.706 29.700 0.013 0.000 0.743 153 E HN 0.153 nan 8.360 nan 0.000 0.453 154 R N 0.944 121.460 120.500 0.026 0.000 2.081 154 R HA -0.156 4.187 4.340 0.005 0.000 0.235 154 R C 2.253 178.581 176.300 0.046 0.000 1.131 154 R CA 1.175 57.291 56.100 0.027 0.000 0.960 154 R CB -0.242 30.079 30.300 0.035 0.000 0.856 154 R HN 0.165 nan 8.270 nan 0.000 0.436 155 L N 0.424 121.690 121.223 0.070 0.000 2.093 155 L HA -0.091 4.253 4.340 0.005 0.000 0.208 155 L C 2.786 179.714 176.870 0.097 0.000 1.085 155 L CA 1.196 56.106 54.840 0.117 0.000 0.755 155 L CB -0.549 41.589 42.059 0.132 0.000 0.904 155 L HN 0.344 nan 8.230 nan 0.000 0.435 156 A N -0.531 122.321 122.820 0.054 0.000 1.902 156 A HA -0.189 4.134 4.320 0.005 0.000 0.217 156 A C 2.517 180.083 177.584 -0.030 0.000 1.181 156 A CA 2.060 54.108 52.037 0.019 0.000 0.623 156 A CB -0.576 18.435 19.000 0.018 0.000 0.818 156 A HN 0.371 nan 8.150 nan 0.000 0.443 157 S N -0.054 115.630 115.700 -0.028 0.000 2.356 157 S HA -0.112 4.361 4.470 0.005 0.000 0.223 157 S C 1.823 176.362 174.600 -0.102 0.000 1.032 157 S CA 1.562 59.721 58.200 -0.068 0.000 1.005 157 S CB -0.469 62.689 63.200 -0.071 0.000 0.867 157 S HN 0.508 nan 8.310 nan 0.000 0.449 158 L N 1.126 122.320 121.223 -0.048 0.000 2.056 158 L HA -0.073 4.270 4.340 0.005 0.000 0.207 158 L C 2.732 179.384 176.870 -0.364 0.000 1.078 158 L CA 1.138 55.952 54.840 -0.044 0.000 0.749 158 L CB -0.638 41.511 42.059 0.150 0.000 0.901 158 L HN 0.312 nan 8.230 nan 0.000 0.433 159 A N 0.036 122.617 122.820 -0.399 0.000 2.019 159 A HA -0.192 4.132 4.320 0.005 0.000 0.219 159 A C 2.501 179.712 177.584 -0.621 0.000 1.164 159 A CA 1.682 53.209 52.037 -0.851 0.000 0.644 159 A CB -0.622 18.200 19.000 -0.296 0.000 0.805 159 A HN 0.526 nan 8.150 nan 0.000 0.449 160 S N -0.441 115.041 115.700 -0.363 0.000 2.447 160 S HA -0.090 4.383 4.470 0.005 0.000 0.233 160 S C 1.671 176.073 174.600 -0.330 0.000 1.006 160 S CA 1.240 59.286 58.200 -0.257 0.000 0.957 160 S CB -0.726 62.389 63.200 -0.143 0.000 0.773 160 S HN 0.238 nan 8.310 nan 0.000 0.507 161 V N 2.963 122.590 119.914 -0.477 0.000 2.244 161 V HA -0.164 3.959 4.120 0.005 0.000 0.244 161 V C 3.183 178.957 176.094 -0.534 0.000 1.042 161 V CA 2.047 63.998 62.300 -0.582 0.000 1.006 161 V CB -1.359 29.928 31.823 -0.893 0.000 0.641 161 V HN 0.805 nan 8.190 nan 0.000 0.446 162 S N 0.752 116.094 115.700 -0.597 0.000 2.383 162 S HA -0.267 4.206 4.470 0.005 0.000 0.229 162 S C 2.042 176.506 174.600 -0.227 0.000 1.030 162 S CA 1.633 59.615 58.200 -0.364 0.000 1.002 162 S CB -0.557 62.470 63.200 -0.290 0.000 0.829 162 S HN 0.585 nan 8.310 nan 0.000 0.467 163 R N 0.241 120.596 120.500 -0.241 0.000 2.092 163 R HA 0.129 4.473 4.340 0.005 0.000 0.231 163 R C 2.367 178.607 176.300 -0.101 0.000 1.119 163 R CA 1.244 57.267 56.100 -0.128 0.000 0.970 163 R CB -0.565 29.669 30.300 -0.111 0.000 0.864 163 R HN 0.381 nan 8.270 nan 0.000 0.440 164 L N 0.904 122.046 121.223 -0.134 0.000 2.072 164 L HA -0.048 4.295 4.340 0.005 0.000 0.205 164 L C 1.891 178.694 176.870 -0.111 0.000 1.079 164 L CA 1.448 56.230 54.840 -0.096 0.000 0.752 164 L CB -0.250 41.737 42.059 -0.119 0.000 0.906 164 L HN 0.109 nan 8.230 nan 0.000 0.436 165 L N -0.434 120.695 121.223 -0.157 0.000 2.079 165 L HA -0.209 4.134 4.340 0.005 0.000 0.210 165 L C 2.455 179.287 176.870 -0.063 0.000 1.081 165 L CA 1.267 56.034 54.840 -0.123 0.000 0.752 165 L CB -0.800 41.169 42.059 -0.150 0.000 0.896 165 L HN 0.381 nan 8.230 nan 0.000 0.433 166 A N -0.803 121.985 122.820 -0.053 0.000 2.169 166 A HA 0.256 4.579 4.320 0.005 0.000 0.212 166 A C 1.753 179.338 177.584 0.002 0.000 1.153 166 A CA 0.791 52.820 52.037 -0.014 0.000 0.756 166 A CB -0.321 18.677 19.000 -0.003 0.000 0.813 166 A HN 0.523 nan 8.150 nan 0.000 0.471 167 G N -0.151 108.639 108.800 -0.017 0.000 2.137 167 G HA2 -0.285 3.678 3.960 0.005 0.000 0.237 167 G HA3 -0.285 3.678 3.960 0.005 0.000 0.237 167 G C 0.734 175.620 174.900 -0.024 0.000 1.002 167 G CA 0.540 45.632 45.100 -0.014 0.000 0.702 167 G HN 1.265 nan 8.290 nan 0.000 0.515 168 I N -3.547 117.010 120.570 -0.022 0.000 3.427 168 I HA 0.378 4.551 4.170 0.005 0.000 0.288 168 I C -0.203 175.924 176.117 0.016 0.000 1.249 168 I CA -0.061 61.262 61.300 0.037 0.000 1.421 168 I CB 0.194 38.217 38.000 0.039 0.000 1.086 168 I HN -0.096 nan 8.210 nan 0.000 0.448 169 D N 0.927 121.271 120.400 -0.093 0.000 2.185 169 D HA 0.373 5.016 4.640 0.005 0.000 0.247 169 D C 0.216 176.304 176.300 -0.353 0.000 1.027 169 D CA -0.201 53.745 54.000 -0.091 0.000 0.861 169 D CB 1.063 41.872 40.800 0.015 0.000 1.202 169 D HN 0.220 nan 8.370 nan 0.000 0.453 170 H N 0.197 119.010 119.070 -0.429 0.000 3.540 170 H HA 0.122 4.681 4.556 0.005 0.000 0.259 170 H C -0.194 174.201 175.328 -1.555 0.000 1.197 170 H CA 0.007 55.414 56.048 -1.068 0.000 1.136 170 H CB 1.806 31.229 29.762 -0.564 0.000 1.605 170 H HN 0.580 nan 8.280 nan 0.000 0.657 171 E N 0.694 120.296 120.200 -0.998 0.000 2.392 171 E HA 0.575 4.928 4.350 0.005 0.000 0.279 171 E C -1.655 174.768 176.600 -0.296 0.000 0.964 171 E CA -0.793 55.208 56.400 -0.666 0.000 0.777 171 E CB 2.238 31.738 29.700 -0.332 0.000 1.249 171 E HN -0.046 nan 8.360 nan 0.000 0.449 172 L N 1.116 122.279 121.223 -0.099 0.000 2.371 172 L HA 0.596 4.939 4.340 0.005 0.000 0.262 172 L C -2.432 174.439 176.870 0.002 0.000 1.006 172 L CA -2.501 52.354 54.840 0.025 0.000 0.818 172 L CB 2.636 44.784 42.059 0.148 0.000 1.354 172 L HN 0.518 nan 8.230 nan 0.000 0.415 173 P HA 0.232 nan 4.420 nan 0.000 0.275 173 P C -1.076 176.250 177.300 0.043 0.000 1.227 173 P CA -0.143 62.971 63.100 0.023 0.000 0.781 173 P CB 1.584 33.296 31.700 0.021 0.000 0.906 174 V N -0.343 119.613 119.914 0.070 0.000 3.182 174 V HA 0.671 4.795 4.120 0.005 0.000 0.308 174 V C -1.183 175.018 176.094 0.178 0.000 1.240 174 V CA -1.040 61.333 62.300 0.123 0.000 1.063 174 V CB 1.839 33.739 31.823 0.128 0.000 1.076 174 V HN 0.550 nan 8.190 nan 0.000 0.446 175 Q N 0.504 120.436 119.800 0.221 0.000 2.305 175 Q HA 0.373 4.716 4.340 0.005 0.000 0.271 175 Q C -1.000 175.113 176.000 0.188 0.000 1.046 175 Q CA -0.647 55.283 55.803 0.212 0.000 0.798 175 Q CB 1.557 30.386 28.738 0.151 0.000 1.286 175 Q HN 1.077 nan 8.270 nan 0.000 0.435 176 H N 3.953 122.969 119.070 -0.090 0.000 2.928 176 H HA 0.015 4.574 4.556 0.005 0.000 0.338 176 H C -0.438 174.679 175.328 -0.352 0.000 1.047 176 H CA 0.786 56.503 56.048 -0.552 0.000 1.435 176 H CB 1.227 30.697 29.762 -0.487 0.000 1.428 176 H HN 0.691 nan 8.280 nan 0.000 0.590 177 L N 4.231 124.875 121.223 -0.964 0.000 2.694 177 L HA 0.404 4.747 4.340 0.005 0.000 0.228 177 L C 0.497 176.981 176.870 -0.643 0.000 1.048 177 L CA 1.257 55.672 54.840 -0.709 0.000 0.887 177 L CB 0.533 42.109 42.059 -0.804 0.000 1.265 177 L HN 0.758 nan 8.230 nan 0.000 0.492 178 G N -1.706 106.573 108.800 -0.869 0.000 2.677 178 G HA2 0.539 4.502 3.960 0.005 0.000 0.291 178 G HA3 0.539 4.502 3.960 0.005 0.000 0.291 178 G C -0.341 174.340 174.900 -0.365 0.000 1.435 178 G CA -0.007 44.825 45.100 -0.448 0.000 0.826 178 G HN 0.642 nan 8.290 nan 0.000 0.491 179 G N -0.224 108.518 108.800 -0.097 0.000 2.693 179 G HA2 0.250 4.213 3.960 0.005 0.000 0.226 179 G HA3 0.250 4.213 3.960 0.005 0.000 0.226 179 G C 0.167 175.133 174.900 0.109 0.000 1.354 179 G CA 0.743 45.831 45.100 -0.021 0.000 0.873 179 G HN 2.519 nan 8.290 nan 0.000 0.562 180 H N -0.134 119.007 119.070 0.119 0.000 2.757 180 H HA 0.665 5.224 4.556 0.005 0.000 0.370 180 H C 1.091 176.472 175.328 0.088 0.000 1.172 180 H CA 0.447 56.541 56.048 0.077 0.000 1.426 180 H CB 0.627 30.417 29.762 0.047 0.000 1.438 180 H HN 0.616 nan 8.280 nan 0.000 0.612 181 K N 0.522 121.014 120.400 0.154 0.000 2.373 181 K HA 0.085 4.408 4.320 0.005 0.000 0.202 181 K C -0.101 176.600 176.600 0.168 0.000 1.025 181 K CA -0.328 55.919 56.287 -0.068 0.000 1.115 181 K CB 0.555 32.888 32.500 -0.278 0.000 0.858 181 K HN 0.529 nan 8.250 nan 0.000 0.525 182 Q N 1.252 121.295 119.800 0.404 0.000 2.368 182 Q HA 0.116 4.459 4.340 0.005 0.000 0.237 182 Q C -0.011 176.139 176.000 0.249 0.000 0.987 182 Q CA -0.092 55.833 55.803 0.204 0.000 0.896 182 Q CB 0.585 29.318 28.738 -0.009 0.000 1.241 182 Q HN 0.127 nan 8.270 nan 0.000 0.485 183 R N 0.329 120.902 120.500 0.122 0.000 2.583 183 R HA 0.090 4.433 4.340 0.005 0.000 0.274 183 R C -0.864 175.501 176.300 0.109 0.000 0.998 183 R CA 0.169 56.321 56.100 0.087 0.000 1.081 183 R CB 0.261 30.581 30.300 0.034 0.000 0.940 183 R HN 0.293 nan 8.270 nan 0.000 0.413 184 V N 4.504 124.458 119.914 0.066 0.000 2.448 184 V HA 0.275 4.399 4.120 0.005 0.000 0.295 184 V C -0.357 175.730 176.094 -0.012 0.000 1.025 184 V CA -0.534 61.793 62.300 0.045 0.000 0.859 184 V CB 1.566 33.404 31.823 0.024 0.000 0.988 184 V HN 0.799 nan 8.190 nan 0.000 0.431 185 E N 2.929 123.127 120.200 -0.003 0.000 2.224 185 E HA 0.739 5.092 4.350 0.005 0.000 0.265 185 E C -0.288 176.304 176.600 -0.014 0.000 0.878 185 E CA -0.267 56.126 56.400 -0.012 0.000 0.759 185 E CB 2.035 31.734 29.700 -0.001 0.000 1.164 185 E HN 0.929 nan 8.360 nan 0.000 0.414 186 G N 1.765 110.548 108.800 -0.028 0.000 2.349 186 G HA2 0.490 4.453 3.960 0.005 0.000 0.294 186 G HA3 0.490 4.453 3.960 0.005 0.000 0.294 186 G C -1.361 173.506 174.900 -0.054 0.000 1.380 186 G CA -0.321 44.761 45.100 -0.030 0.000 0.811 186 G HN 0.611 nan 8.290 nan 0.000 0.519 187 A N -0.336 122.454 122.820 -0.051 0.000 2.440 187 A HA 0.615 4.938 4.320 0.005 0.000 0.251 187 A C 0.356 177.828 177.584 -0.187 0.000 1.089 187 A CA -0.101 51.878 52.037 -0.097 0.000 0.779 187 A CB 0.085 19.076 19.000 -0.015 0.000 1.022 187 A HN 0.766 nan 8.150 nan 0.000 0.492 188 L N 3.516 124.570 121.223 -0.282 0.000 2.313 188 L HA 0.431 4.775 4.340 0.005 0.000 0.282 188 L C 0.218 176.773 176.870 -0.525 0.000 1.092 188 L CA 0.031 54.632 54.840 -0.399 0.000 0.831 188 L CB 0.101 41.919 42.059 -0.401 0.000 1.159 188 L HN 0.748 nan 8.230 nan 0.000 0.442 189 I N 0.089 120.406 120.570 -0.422 0.000 3.174 189 I HA 1.006 5.179 4.170 0.005 0.000 0.313 189 I C 0.316 176.438 176.117 0.010 0.000 1.155 189 I CA -0.402 60.696 61.300 -0.337 0.000 0.977 189 I CB 2.228 40.213 38.000 -0.025 0.000 1.248 189 I HN 0.647 nan 8.210 nan 0.000 0.453 190 G N 1.046 110.073 108.800 0.379 0.000 2.501 190 G HA2 0.424 4.387 3.960 0.005 0.000 0.213 190 G HA3 0.424 4.387 3.960 0.005 0.000 0.213 190 G C 0.169 175.408 174.900 0.566 0.000 1.158 190 G CA -0.015 45.319 45.100 0.390 0.000 1.079 190 G HN 2.511 nan 8.290 nan 0.000 0.586 191 G N -0.154 108.900 108.800 0.423 0.000 2.390 191 G HA2 0.187 4.150 3.960 0.005 0.000 0.202 191 G HA3 0.187 4.150 3.960 0.005 0.000 0.202 191 G C -0.091 175.013 174.900 0.341 0.000 1.210 191 G CA 0.730 46.109 45.100 0.465 0.000 1.271 191 G HN 1.811 nan 8.290 nan 0.000 0.543 192 N N 1.505 120.396 118.700 0.318 0.000 2.442 192 N HA 0.222 4.965 4.740 0.005 0.000 0.265 192 N C 1.575 177.192 175.510 0.179 0.000 1.138 192 N CA 0.027 53.210 53.050 0.222 0.000 0.956 192 N CB 1.279 39.877 38.487 0.185 0.000 1.067 192 N HN 0.606 nan 8.380 nan 0.000 0.474 193 L N 4.934 126.261 121.223 0.173 0.000 2.012 193 L HA -0.139 4.204 4.340 0.005 0.000 0.210 193 L C 2.024 178.979 176.870 0.142 0.000 1.073 193 L CA 2.012 56.967 54.840 0.191 0.000 0.748 193 L CB -1.082 41.148 42.059 0.285 0.000 0.891 193 L HN 0.598 nan 8.230 nan 0.000 0.431 194 T N 0.058 114.678 114.554 0.110 0.000 2.708 194 T HA -0.150 4.203 4.350 0.005 0.000 0.266 194 T C 1.907 176.651 174.700 0.073 0.000 1.037 194 T CA 1.513 63.655 62.100 0.070 0.000 1.146 194 T CB -0.623 68.263 68.868 0.030 0.000 0.865 194 T HN 0.548 nan 8.240 nan 0.000 0.435 195 A N 1.024 123.894 122.820 0.083 0.000 1.902 195 A HA 0.005 4.328 4.320 0.005 0.000 0.217 195 A C 2.303 179.952 177.584 0.108 0.000 1.181 195 A CA 1.251 53.343 52.037 0.092 0.000 0.623 195 A CB -0.799 18.253 19.000 0.086 0.000 0.818 195 A HN 0.478 nan 8.150 nan 0.000 0.443 196 L N -1.011 120.286 121.223 0.123 0.000 2.072 196 L HA -0.113 4.230 4.340 0.005 0.000 0.205 196 L C 3.086 180.027 176.870 0.118 0.000 1.079 196 L CA 0.879 55.799 54.840 0.133 0.000 0.752 196 L CB -0.555 41.600 42.059 0.160 0.000 0.906 196 L HN 0.413 nan 8.230 nan 0.000 0.436 197 A N -0.746 122.139 122.820 0.110 0.000 1.940 197 A HA -0.246 4.077 4.320 0.005 0.000 0.219 197 A C 2.238 179.877 177.584 0.092 0.000 1.176 197 A CA 1.870 53.966 52.037 0.099 0.000 0.631 197 A CB -1.205 17.851 19.000 0.093 0.000 0.814 197 A HN 0.572 nan 8.150 nan 0.000 0.446 198 C N -0.465 118.886 119.300 0.086 0.000 2.511 198 C HA 0.089 4.552 4.460 0.005 0.000 0.277 198 C C 2.103 177.151 174.990 0.096 0.000 1.451 198 C CA 0.649 59.715 59.018 0.080 0.000 1.735 198 C CB -1.162 26.620 27.740 0.069 0.000 1.704 198 C HN 0.550 nan 8.230 nan 0.000 0.571 199 M N 0.133 119.795 119.600 0.103 0.000 2.333 199 M HA 0.239 4.722 4.480 0.005 0.000 0.257 199 M C 1.079 177.437 176.300 0.097 0.000 1.078 199 M CA -0.015 55.348 55.300 0.105 0.000 1.005 199 M CB -1.085 31.583 32.600 0.114 0.000 1.444 199 M HN 0.221 nan 8.290 nan 0.000 0.496 200 A N 0.440 123.316 122.820 0.093 0.000 2.531 200 A HA 0.439 4.763 4.320 0.005 0.000 0.236 200 A C 1.476 179.108 177.584 0.080 0.000 1.062 200 A CA 1.031 53.120 52.037 0.086 0.000 0.760 200 A CB -0.402 18.650 19.000 0.087 0.000 0.995 200 A HN 0.882 nan 8.150 nan 0.000 0.501 201 G N 1.017 109.860 108.800 0.072 0.000 2.179 201 G HA2 -0.146 3.817 3.960 0.005 0.000 0.260 201 G HA3 -0.146 3.817 3.960 0.005 0.000 0.260 201 G C 0.556 175.496 174.900 0.066 0.000 0.977 201 G CA 1.329 46.468 45.100 0.066 0.000 0.641 201 G HN 2.288 nan 8.290 nan 0.000 0.533 202 T N -2.116 112.482 114.554 0.073 0.000 2.940 202 T HA 0.646 5.000 4.350 0.005 0.000 0.288 202 T C 1.812 176.560 174.700 0.080 0.000 1.045 202 T CA -0.053 62.093 62.100 0.076 0.000 1.018 202 T CB 1.630 70.549 68.868 0.085 0.000 1.151 202 T HN 1.186 nan 8.240 nan 0.000 0.529 203 L N -0.808 120.465 121.223 0.084 0.000 2.349 203 L HA 0.293 4.636 4.340 0.005 0.000 0.220 203 L C 1.635 178.573 176.870 0.114 0.000 1.130 203 L CA 1.501 56.397 54.840 0.094 0.000 0.791 203 L CB -0.759 41.363 42.059 0.105 0.000 0.918 203 L HN 0.794 nan 8.230 nan 0.000 0.444 204 G N 0.032 108.903 108.800 0.119 0.000 3.337 204 G HA2 0.318 4.281 3.960 0.005 0.000 0.246 204 G HA3 0.318 4.281 3.960 0.005 0.000 0.246 204 G C 0.735 175.711 174.900 0.127 0.000 1.131 204 G CA 0.128 45.309 45.100 0.136 0.000 0.773 204 G HN 0.514 nan 8.290 nan 0.000 0.544 205 G N 0.411 109.277 108.800 0.111 0.000 2.474 205 G HA2 0.290 4.253 3.960 0.005 0.000 0.233 205 G HA3 0.290 4.253 3.960 0.005 0.000 0.233 205 G C 0.193 175.171 174.900 0.131 0.000 1.278 205 G CA -0.443 44.723 45.100 0.110 0.000 0.861 205 G HN 0.390 nan 8.290 nan 0.000 0.567 206 L N 1.368 122.674 121.223 0.140 0.000 2.640 206 L HA 0.046 4.389 4.340 0.005 0.000 0.280 206 L C 0.642 177.617 176.870 0.175 0.000 1.229 206 L CA 0.023 54.968 54.840 0.175 0.000 0.919 206 L CB -0.004 42.150 42.059 0.159 0.000 1.168 206 L HN 0.658 nan 8.230 nan 0.000 0.496 207 H N 5.079 124.215 119.070 0.111 0.000 2.864 207 H HA 0.539 5.098 4.556 0.005 0.000 0.281 207 H C -0.393 174.980 175.328 0.074 0.000 1.093 207 H CA 0.171 56.239 56.048 0.034 0.000 1.453 207 H CB 0.545 30.277 29.762 -0.050 0.000 1.462 207 H HN 0.691 nan 8.280 nan 0.000 0.480 208 A N 7.440 130.078 122.820 -0.303 0.000 3.258 208 A HA 0.316 4.640 4.320 0.005 0.000 0.318 208 A C -2.576 174.864 177.584 -0.240 0.000 0.990 208 A CA -1.346 50.574 52.037 -0.195 0.000 0.885 208 A CB -0.260 18.708 19.000 -0.053 0.000 1.090 208 A HN 0.593 nan 8.150 nan 0.000 0.479 209 P HA 0.295 nan 4.420 nan 0.000 0.269 209 P C 0.434 177.674 177.300 -0.100 0.000 1.215 209 P CA 0.116 63.087 63.100 -0.215 0.000 0.780 209 P CB 0.673 32.251 31.700 -0.203 0.000 0.898 210 A N 1.514 124.297 122.820 -0.061 0.000 2.565 210 A HA 0.364 4.687 4.320 0.005 0.000 0.237 210 A C 1.532 179.101 177.584 -0.025 0.000 1.053 210 A CA 0.866 52.883 52.037 -0.034 0.000 0.755 210 A CB -1.441 17.546 19.000 -0.022 0.000 0.980 210 A HN 0.972 nan 8.150 nan 0.000 0.506 211 G N 1.615 110.404 108.800 -0.017 0.000 2.176 211 G HA2 -0.216 3.747 3.960 0.005 0.000 0.253 211 G HA3 -0.216 3.747 3.960 0.005 0.000 0.253 211 G C 0.554 175.440 174.900 -0.023 0.000 0.979 211 G CA 0.421 45.515 45.100 -0.010 0.000 0.641 211 G HN 1.256 nan 8.290 nan 0.000 0.530 212 S N -0.054 115.625 115.700 -0.036 0.000 2.579 212 S HA 0.510 4.983 4.470 0.005 0.000 0.275 212 S C 0.632 175.188 174.600 -0.073 0.000 1.345 212 S CA 0.069 58.236 58.200 -0.055 0.000 1.031 212 S CB 0.980 64.148 63.200 -0.054 0.000 0.892 212 S HN 0.389 nan 8.310 nan 0.000 0.529 213 I N 2.680 123.177 120.570 -0.120 0.000 2.297 213 I HA 0.197 4.370 4.170 0.005 0.000 0.291 213 I C -0.532 175.472 176.117 -0.189 0.000 1.033 213 I CA -0.489 60.715 61.300 -0.160 0.000 1.253 213 I CB 0.803 38.672 38.000 -0.218 0.000 1.396 213 I HN 0.335 nan 8.210 nan 0.000 0.476 214 L N 9.314 130.463 121.223 -0.123 0.000 2.282 214 L HA 0.364 4.707 4.340 0.005 0.000 0.287 214 L C -0.255 176.547 176.870 -0.113 0.000 1.075 214 L CA -0.060 54.730 54.840 -0.084 0.000 0.839 214 L CB 0.760 42.812 42.059 -0.012 0.000 1.219 214 L HN 0.255 nan 8.230 nan 0.000 0.434 215 V N 6.718 126.519 119.914 -0.188 0.000 2.583 215 V HA 0.362 4.485 4.120 0.005 0.000 0.287 215 V C 0.283 176.373 176.094 -0.006 0.000 1.051 215 V CA -0.318 61.858 62.300 -0.207 0.000 1.010 215 V CB 1.222 32.745 31.823 -0.499 0.000 0.988 215 V HN 0.612 nan 8.190 nan 0.000 0.478 216 L N 4.888 126.128 121.223 0.028 0.000 2.431 216 L HA 0.720 5.063 4.340 0.005 0.000 0.266 216 L C -0.684 176.207 176.870 0.035 0.000 0.978 216 L CA -0.565 54.349 54.840 0.123 0.000 0.822 216 L CB 2.286 44.486 42.059 0.236 0.000 1.310 216 L HN 0.859 nan 8.230 nan 0.000 0.409 217 E N 0.901 121.044 120.200 -0.096 0.000 2.408 217 E HA 0.791 5.144 4.350 0.005 0.000 0.275 217 E C -1.751 174.518 176.600 -0.551 0.000 0.935 217 E CA -0.699 55.392 56.400 -0.515 0.000 0.775 217 E CB 2.812 32.458 29.700 -0.090 0.000 1.277 217 E HN 0.335 nan 8.360 nan 0.000 0.455 218 D N -0.286 119.620 120.400 -0.823 0.000 2.692 218 D HA 0.563 5.207 4.640 0.005 0.000 0.303 218 D C -1.782 174.403 176.300 -0.191 0.000 1.278 218 D CA -0.482 53.352 54.000 -0.277 0.000 0.852 218 D CB 2.211 42.996 40.800 -0.025 0.000 1.375 218 D HN 0.382 nan 8.370 nan 0.000 0.453 219 V N -0.426 119.379 119.914 -0.181 0.000 2.932 219 V HA 0.590 4.713 4.120 0.005 0.000 0.307 219 V C 0.339 176.378 176.094 -0.093 0.000 1.147 219 V CA 0.592 62.787 62.300 -0.174 0.000 0.951 219 V CB 1.494 33.018 31.823 -0.499 0.000 1.031 219 V HN 0.948 nan 8.190 nan 0.000 0.426 220 G N 3.658 112.450 108.800 -0.013 0.000 2.198 220 G HA2 -0.146 3.817 3.960 0.005 0.000 0.260 220 G HA3 -0.146 3.817 3.960 0.005 0.000 0.260 220 G C -0.164 174.742 174.900 0.009 0.000 1.025 220 G CA 0.615 45.712 45.100 -0.005 0.000 0.769 220 G HN 0.813 nan 8.290 nan 0.000 0.507 221 E N 0.465 120.697 120.200 0.053 0.000 2.199 221 E HA 0.433 4.786 4.350 0.005 0.000 0.269 221 E C -2.381 174.273 176.600 0.090 0.000 0.899 221 E CA -1.929 54.494 56.400 0.038 0.000 0.772 221 E CB 2.573 32.297 29.700 0.042 0.000 1.155 221 E HN 0.208 nan 8.360 nan 0.000 0.408 222 P HA 0.040 nan 4.420 nan 0.000 0.272 222 P C 0.543 177.936 177.300 0.154 0.000 1.230 222 P CA -0.207 62.937 63.100 0.073 0.000 0.788 222 P CB 0.745 32.480 31.700 0.057 0.000 0.949 223 Y N 0.844 121.152 120.300 0.013 0.000 2.207 223 Y HA -0.218 4.335 4.550 0.006 0.000 0.287 223 Y C 2.651 178.529 175.900 -0.037 0.000 1.156 223 Y CA 1.403 59.497 58.100 -0.010 0.000 1.182 223 Y CB -2.166 36.307 38.460 0.022 0.000 0.979 223 Y HN 0.468 nan 8.280 nan 0.000 0.521 224 Y N 0.150 120.520 120.300 0.116 0.000 2.274 224 Y HA -0.123 4.430 4.550 0.004 0.000 0.290 224 Y C 2.207 178.114 175.900 0.012 0.000 1.145 224 Y CA 1.089 59.210 58.100 0.035 0.000 1.203 224 Y CB -0.880 37.585 38.460 0.008 0.000 0.984 224 Y HN -0.134 nan 8.280 nan 0.000 0.533 225 R N 0.631 120.664 120.500 -0.778 0.000 2.090 225 R HA -0.017 4.326 4.340 0.005 0.000 0.228 225 R C 2.259 178.433 176.300 -0.210 0.000 1.110 225 R CA 1.556 57.327 56.100 -0.549 0.000 0.973 225 R CB -0.414 29.558 30.300 -0.547 0.000 0.869 225 R HN 0.413 nan 8.270 nan 0.000 0.440 226 L N 0.541 121.682 121.223 -0.137 0.000 2.017 226 L HA -0.186 4.157 4.340 0.005 0.000 0.208 226 L C 2.624 179.371 176.870 -0.206 0.000 1.073 226 L CA 1.465 56.248 54.840 -0.095 0.000 0.745 226 L CB -0.472 41.541 42.059 -0.077 0.000 0.894 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 E N 0.506 120.569 120.200 -0.229 0.000 2.077 227 E HA -0.291 4.062 4.350 0.005 0.000 0.193 227 E C 2.357 178.880 176.600 -0.128 0.000 0.989 227 E CA 1.272 57.506 56.400 -0.277 0.000 0.800 227 E CB 0.030 29.656 29.700 -0.122 0.000 0.746 227 E HN 0.264 nan 8.360 nan 0.000 0.452 228 R N 0.058 120.533 120.500 -0.041 0.000 2.091 228 R HA -0.122 4.221 4.340 0.005 0.000 0.238 228 R C 2.387 178.727 176.300 0.066 0.000 1.136 228 R CA 1.918 58.033 56.100 0.025 0.000 0.959 228 R CB -0.183 30.125 30.300 0.013 0.000 0.856 228 R HN 0.062 nan 8.270 nan 0.000 0.437 229 S N 0.774 116.481 115.700 0.011 0.000 2.368 229 S HA -0.126 4.347 4.470 0.005 0.000 0.224 229 S C 1.683 176.313 174.600 0.051 0.000 1.029 229 S CA 1.056 59.283 58.200 0.045 0.000 0.988 229 S CB -0.277 62.946 63.200 0.038 0.000 0.838 229 S HN 0.272 nan 8.310 nan 0.000 0.462 230 L N 0.487 121.680 121.223 -0.049 0.000 2.017 230 L HA 0.005 4.348 4.340 0.005 0.000 0.208 230 L C 1.916 178.763 176.870 -0.038 0.000 1.073 230 L CA 1.647 56.414 54.840 -0.122 0.000 0.745 230 L CB -0.759 41.027 42.059 -0.456 0.000 0.894 230 L HN 0.492 nan 8.230 nan 0.000 0.432 231 W N 0.320 121.517 121.300 -0.173 0.000 2.335 231 W HA -0.298 4.365 4.660 0.005 0.000 0.311 231 W C 2.807 179.368 176.519 0.070 0.000 1.213 231 W CA 2.283 59.674 57.345 0.076 0.000 1.274 231 W CB -0.182 29.364 29.460 0.144 0.000 1.148 231 W HN 0.382 nan 8.180 nan 0.000 0.498 232 Q N -0.049 120.002 119.800 0.419 0.000 2.050 232 Q HA -0.270 4.073 4.340 0.005 0.000 0.202 232 Q C 2.239 178.298 176.000 0.097 0.000 0.980 232 Q CA 2.044 58.022 55.803 0.292 0.000 0.840 232 Q CB -0.633 28.254 28.738 0.248 0.000 0.898 232 Q HN 0.384 nan 8.270 nan 0.000 0.424 233 L N 0.575 121.848 121.223 0.084 0.000 2.017 233 L HA -0.160 4.183 4.340 0.005 0.000 0.208 233 L C 2.114 178.991 176.870 0.012 0.000 1.073 233 L CA 1.654 56.530 54.840 0.060 0.000 0.745 233 L CB -0.447 41.661 42.059 0.082 0.000 0.894 233 L HN 0.336 nan 8.230 nan 0.000 0.432 234 L N -0.917 120.295 121.223 -0.018 0.000 2.056 234 L HA -0.138 4.205 4.340 0.005 0.000 0.207 234 L C 2.564 179.350 176.870 -0.141 0.000 1.078 234 L CA 0.965 55.773 54.840 -0.053 0.000 0.749 234 L CB -0.754 41.292 42.059 -0.022 0.000 0.901 234 L HN 0.294 nan 8.230 nan 0.000 0.433 235 E N 0.149 120.183 120.200 -0.278 0.000 2.204 235 E HA -0.167 4.186 4.350 0.005 0.000 0.195 235 E C 2.300 178.806 176.600 -0.157 0.000 0.990 235 E CA 1.554 57.745 56.400 -0.349 0.000 0.821 235 E CB -0.024 29.260 29.700 -0.694 0.000 0.750 235 E HN 0.531 nan 8.360 nan 0.000 0.477 236 S N 0.220 115.874 115.700 -0.077 0.000 2.528 236 S HA 0.035 4.508 4.470 0.005 0.000 0.219 236 S C 1.293 175.889 174.600 -0.007 0.000 0.985 236 S CA -0.222 57.968 58.200 -0.016 0.000 0.914 236 S CB -0.412 62.804 63.200 0.027 0.000 0.776 236 S HN 0.275 nan 8.310 nan 0.000 0.526 237 I N -1.983 118.576 120.570 -0.018 0.000 3.133 237 I HA 0.570 4.743 4.170 0.005 0.000 0.311 237 I C -0.796 175.305 176.117 -0.027 0.000 1.072 237 I CA -1.009 60.284 61.300 -0.012 0.000 1.015 237 I CB 1.038 39.039 38.000 0.001 0.000 1.233 237 I HN -0.244 nan 8.210 nan 0.000 0.473 238 D N 2.104 122.490 120.400 -0.025 0.000 2.551 238 D HA 0.325 4.968 4.640 0.005 0.000 0.223 238 D C 1.006 177.290 176.300 -0.026 0.000 1.144 238 D CA 0.140 54.123 54.000 -0.028 0.000 1.025 238 D CB 0.974 41.758 40.800 -0.025 0.000 1.085 238 D HN 0.682 nan 8.370 nan 0.000 0.506 239 A N 3.912 126.714 122.820 -0.030 0.000 1.933 239 A HA -0.165 4.158 4.320 0.005 0.000 0.218 239 A C 2.115 179.692 177.584 -0.012 0.000 1.175 239 A CA 0.874 52.899 52.037 -0.020 0.000 0.628 239 A CB -0.091 18.893 19.000 -0.028 0.000 0.814 239 A HN 0.466 nan 8.150 nan 0.000 0.444 240 R N -0.559 119.931 120.500 -0.018 0.000 2.189 240 R HA -0.088 4.255 4.340 0.005 0.000 0.223 240 R C 1.675 177.975 176.300 -0.000 0.000 1.092 240 R CA 1.319 57.413 56.100 -0.009 0.000 0.989 240 R CB -0.162 30.130 30.300 -0.015 0.000 0.876 240 R HN 0.661 nan 8.270 nan 0.000 0.457 241 Q N 0.242 120.038 119.800 -0.006 0.000 2.360 241 Q HA 0.152 4.495 4.340 0.005 0.000 0.202 241 Q C 0.006 176.004 176.000 -0.004 0.000 0.915 241 Q CA -0.156 55.644 55.803 -0.005 0.000 0.943 241 Q CB 0.386 29.116 28.738 -0.013 0.000 1.064 241 Q HN 0.270 nan 8.270 nan 0.000 0.511 242 L N -0.318 120.904 121.223 -0.003 0.000 2.483 242 L HA 0.005 4.348 4.340 0.005 0.000 0.275 242 L C 1.597 178.474 176.870 0.012 0.000 1.220 242 L CA 0.040 54.878 54.840 -0.004 0.000 0.833 242 L CB 0.393 42.450 42.059 -0.003 0.000 1.102 242 L HN 0.192 nan 8.230 nan 0.000 0.490 243 G N 1.291 110.094 108.800 0.005 0.000 2.396 243 G HA2 0.323 4.286 3.960 0.005 0.000 0.214 243 G HA3 0.323 4.286 3.960 0.005 0.000 0.214 243 G C 0.320 175.238 174.900 0.029 0.000 1.166 243 G CA 0.878 45.994 45.100 0.026 0.000 0.793 243 G HN 0.790 nan 8.290 nan 0.000 0.533 244 A N -1.381 121.436 122.820 -0.006 0.000 2.586 244 A HA 0.640 4.963 4.320 0.005 0.000 0.291 244 A C -1.769 175.805 177.584 -0.017 0.000 1.062 244 A CA -0.680 51.356 52.037 -0.002 0.000 0.666 244 A CB 0.506 19.496 19.000 -0.017 0.000 1.281 244 A HN 0.131 nan 8.150 nan 0.000 0.421 245 I N 0.422 120.996 120.570 0.007 0.000 2.404 245 I HA 0.493 4.666 4.170 0.005 0.000 0.293 245 I C -0.601 175.512 176.117 -0.007 0.000 0.992 245 I CA -0.461 60.836 61.300 -0.007 0.000 1.149 245 I CB 1.717 39.728 38.000 0.019 0.000 1.315 245 I HN 0.636 nan 8.210 nan 0.000 0.446 246 C N 8.123 127.387 119.300 -0.059 0.000 2.344 246 C HA 0.516 4.979 4.460 0.005 0.000 0.326 246 C C -0.197 174.753 174.990 -0.066 0.000 1.201 246 C CA -0.640 58.345 59.018 -0.056 0.000 1.410 246 C CB -0.308 27.333 27.740 -0.165 0.000 2.070 246 C HN 0.648 nan 8.230 nan 0.000 0.445 247 L N 6.464 127.668 121.223 -0.032 0.000 2.319 247 L HA 0.469 4.812 4.340 0.005 0.000 0.280 247 L C 1.295 178.207 176.870 0.070 0.000 1.099 247 L CA 0.174 55.020 54.840 0.011 0.000 0.828 247 L CB 0.748 42.761 42.059 -0.076 0.000 1.150 247 L HN 0.865 nan 8.230 nan 0.000 0.442 248 G N 1.927 110.767 108.800 0.066 0.000 2.546 248 G HA2 0.289 4.252 3.960 0.005 0.000 0.239 248 G HA3 0.289 4.252 3.960 0.005 0.000 0.239 248 G C -0.008 174.956 174.900 0.106 0.000 1.476 248 G CA -0.303 44.834 45.100 0.060 0.000 1.064 248 G HN 0.650 nan 8.290 nan 0.000 0.561 249 S N -1.460 114.264 115.700 0.041 0.000 2.601 249 S HA 0.547 5.020 4.470 0.005 0.000 0.271 249 S C -0.980 173.552 174.600 -0.114 0.000 1.305 249 S CA -0.470 57.786 58.200 0.093 0.000 1.022 249 S CB 1.113 64.367 63.200 0.090 0.000 0.940 249 S HN 0.280 nan 8.310 nan 0.000 0.525 250 F N 0.846 120.866 119.950 0.116 0.000 2.451 250 F HA 0.304 4.834 4.527 0.004 0.000 0.367 250 F C 0.534 176.412 175.800 0.130 0.000 1.100 250 F CA -0.576 57.500 58.000 0.126 0.000 1.171 250 F CB 1.192 40.266 39.000 0.122 0.000 1.405 250 F HN 0.525 nan 8.300 nan 0.000 0.482 251 T N 2.296 116.945 114.554 0.160 0.000 2.817 251 T HA 0.118 4.471 4.350 0.005 0.000 0.293 251 T C -0.131 174.643 174.700 0.124 0.000 0.964 251 T CA -0.348 61.835 62.100 0.139 0.000 1.085 251 T CB 0.484 69.431 68.868 0.132 0.000 0.921 251 T HN 0.475 nan 8.240 nan 0.000 0.502 252 D N 0.868 121.341 120.400 0.121 0.000 2.689 252 D HA -0.146 4.498 4.640 0.005 0.000 0.237 252 D C -0.499 175.870 176.300 0.114 0.000 1.148 252 D CA 0.411 54.470 54.000 0.098 0.000 0.656 252 D CB -1.545 39.294 40.800 0.064 0.000 1.050 252 D HN 0.493 nan 8.370 nan 0.000 0.426 253 C N 2.162 121.569 119.300 0.178 0.000 2.250 253 C HA 0.324 4.787 4.460 0.005 0.000 0.319 253 C C -1.620 173.504 174.990 0.224 0.000 1.124 253 C CA -1.424 57.734 59.018 0.234 0.000 1.527 253 C CB 0.554 28.510 27.740 0.359 0.000 2.001 253 C HN 0.208 nan 8.230 nan 0.000 0.435 254 P HA 0.164 nan 4.420 nan 0.000 0.276 254 P C 0.503 177.676 177.300 -0.211 0.000 1.243 254 P CA 0.090 63.187 63.100 -0.005 0.000 0.768 254 P CB 0.903 32.598 31.700 -0.009 0.000 0.856 255 R N 3.750 124.059 120.500 -0.317 0.000 2.090 255 R HA -0.056 4.288 4.340 0.005 0.000 0.228 255 R C 0.413 176.448 176.300 -0.441 0.000 1.110 255 R CA 0.718 56.386 56.100 -0.720 0.000 0.973 255 R CB -0.300 29.801 30.300 -0.332 0.000 0.869 255 R HN 0.371 nan 8.270 nan 0.000 0.440 256 K N 1.180 121.454 120.400 -0.209 0.000 3.278 256 K HA -0.201 4.122 4.320 0.005 0.000 0.270 256 K C -0.682 175.854 176.600 -0.106 0.000 0.955 256 K CA 0.747 56.960 56.287 -0.124 0.000 0.723 256 K CB -0.770 31.669 32.500 -0.102 0.000 1.382 256 K HN 0.410 nan 8.250 nan 0.000 0.461 257 E N -3.267 116.882 120.200 -0.086 0.000 3.916 257 E HA -0.186 4.167 4.350 0.005 0.000 0.331 257 E C 0.087 176.657 176.600 -0.050 0.000 0.729 257 E CA 1.367 57.737 56.400 -0.051 0.000 1.222 257 E CB -1.635 28.042 29.700 -0.038 0.000 1.633 257 E HN 0.405 nan 8.360 nan 0.000 0.437 258 V N 0.863 120.724 119.914 -0.089 0.000 2.720 258 V HA 0.095 4.218 4.120 0.005 0.000 0.307 258 V C 1.923 178.034 176.094 0.029 0.000 1.071 258 V CA 1.132 63.406 62.300 -0.044 0.000 1.199 258 V CB 1.225 33.016 31.823 -0.054 0.000 0.900 258 V HN 0.426 nan 8.190 nan 0.000 0.494 259 A N 4.044 126.876 122.820 0.020 0.000 2.067 259 A HA 0.011 4.334 4.320 0.005 0.000 0.217 259 A C 0.894 178.644 177.584 0.277 0.000 1.156 259 A CA 0.709 52.800 52.037 0.090 0.000 0.683 259 A CB -0.387 18.633 19.000 0.034 0.000 0.808 259 A HN 0.927 nan 8.150 nan 0.000 0.455 260 H N -0.037 119.092 119.070 0.097 0.000 2.457 260 H HA 0.400 4.958 4.556 0.005 0.000 0.335 260 H C 0.233 175.666 175.328 0.176 0.000 1.115 260 H CA -0.408 55.703 56.048 0.105 0.000 1.219 260 H CB 1.505 31.319 29.762 0.087 0.000 1.471 260 H HN 0.391 nan 8.280 nan 0.000 0.491 261 S N 2.049 117.891 115.700 0.237 0.000 2.608 261 S HA -0.010 4.464 4.470 0.005 0.000 0.261 261 S C 1.184 175.825 174.600 0.069 0.000 1.314 261 S CA -0.710 57.618 58.200 0.213 0.000 0.992 261 S CB 1.054 64.326 63.200 0.121 0.000 0.935 261 S HN 0.494 nan 8.310 nan 0.000 0.564 262 L N 1.129 122.296 121.223 -0.094 0.000 2.093 262 L HA 0.020 4.363 4.340 0.005 0.000 0.208 262 L C 2.507 179.339 176.870 -0.065 0.000 1.085 262 L CA 1.809 56.442 54.840 -0.345 0.000 0.755 262 L CB -1.266 40.514 42.059 -0.465 0.000 0.904 262 L HN 0.906 nan 8.230 nan 0.000 0.435 263 E N -0.954 119.232 120.200 -0.024 0.000 2.110 263 E HA -0.276 4.077 4.350 0.005 0.000 0.193 263 E C 2.277 178.857 176.600 -0.034 0.000 0.988 263 E CA 1.160 57.536 56.400 -0.040 0.000 0.804 263 E CB -0.178 29.471 29.700 -0.085 0.000 0.745 263 E HN 0.409 nan 8.360 nan 0.000 0.458 264 R N 0.901 121.383 120.500 -0.030 0.000 2.075 264 R HA -0.123 4.220 4.340 0.005 0.000 0.232 264 R C 2.250 178.541 176.300 -0.014 0.000 1.126 264 R CA 1.094 57.165 56.100 -0.048 0.000 0.963 264 R CB -0.128 30.119 30.300 -0.088 0.000 0.858 264 R HN 0.134 nan 8.270 nan 0.000 0.435 265 I N 0.027 120.593 120.570 -0.007 0.000 2.163 265 I HA -0.264 3.909 4.170 0.005 0.000 0.240 265 I C 1.879 177.997 176.117 0.001 0.000 1.081 265 I CA 1.307 62.605 61.300 -0.003 0.000 1.353 265 I CB -0.334 37.578 38.000 -0.146 0.000 1.054 265 I HN 0.113 nan 8.210 nan 0.000 0.407 266 F N 1.119 121.019 119.950 -0.084 0.000 2.171 266 F HA -0.127 4.403 4.527 0.004 0.000 0.300 266 F C 2.559 178.341 175.800 -0.030 0.000 1.090 266 F CA 1.579 59.529 58.000 -0.084 0.000 1.293 266 F CB -1.189 37.690 39.000 -0.202 0.000 1.013 266 F HN 0.032 nan 8.300 nan 0.000 0.486 267 G N -0.774 108.082 108.800 0.094 0.000 2.442 267 G HA2 -0.308 3.655 3.960 0.005 0.000 0.219 267 G HA3 -0.308 3.655 3.960 0.005 0.000 0.219 267 G C 1.566 176.475 174.900 0.015 0.000 1.141 267 G CA 1.019 46.120 45.100 0.001 0.000 0.763 267 G HN 0.419 nan 8.290 nan 0.000 0.554 268 E N -0.814 119.408 120.200 0.037 0.000 2.072 268 E HA -0.128 4.225 4.350 0.005 0.000 0.191 268 E C 2.132 178.706 176.600 -0.043 0.000 0.985 268 E CA 0.631 57.023 56.400 -0.014 0.000 0.801 268 E CB -0.193 29.500 29.700 -0.012 0.000 0.750 268 E HN 0.557 nan 8.360 nan 0.000 0.452 269 Y N 0.268 120.555 120.300 -0.023 0.000 2.200 269 Y HA -0.108 4.445 4.550 0.005 0.000 0.290 269 Y C 2.350 178.245 175.900 -0.008 0.000 1.137 269 Y CA 1.293 59.385 58.100 -0.014 0.000 1.163 269 Y CB -0.452 37.992 38.460 -0.026 0.000 0.988 269 Y HN 0.169 nan 8.280 nan 0.000 0.518 270 A N -0.082 122.825 122.820 0.145 0.000 1.933 270 A HA -0.143 4.180 4.320 0.005 0.000 0.218 270 A C 2.405 179.995 177.584 0.010 0.000 1.175 270 A CA 1.757 53.832 52.037 0.064 0.000 0.628 270 A CB -1.198 17.820 19.000 0.030 0.000 0.814 270 A HN 0.406 nan 8.150 nan 0.000 0.444 271 A N -0.233 122.581 122.820 -0.010 0.000 1.930 271 A HA 0.201 4.524 4.320 0.005 0.000 0.217 271 A C 2.443 180.006 177.584 -0.034 0.000 1.175 271 A CA 1.869 53.889 52.037 -0.028 0.000 0.627 271 A CB -0.849 18.127 19.000 -0.039 0.000 0.815 271 A HN 1.020 nan 8.150 nan 0.000 0.443 272 A N 0.447 123.232 122.820 -0.057 0.000 1.969 272 A HA -0.004 4.319 4.320 0.005 0.000 0.218 272 A C 1.968 179.521 177.584 -0.051 0.000 1.169 272 A CA 1.395 53.385 52.037 -0.079 0.000 0.635 272 A CB -0.666 18.241 19.000 -0.155 0.000 0.810 272 A HN 0.989 nan 8.150 nan 0.000 0.445 273 I N -4.503 116.050 120.570 -0.028 0.000 3.883 273 I HA 0.252 4.425 4.170 0.005 0.000 0.326 273 I C -0.060 176.056 176.117 -0.001 0.000 1.283 273 I CA 0.422 61.713 61.300 -0.016 0.000 1.161 273 I CB -0.343 37.654 38.000 -0.005 0.000 1.012 273 I HN 0.252 nan 8.210 nan 0.000 0.421 274 E N 0.880 121.081 120.200 0.002 0.000 2.320 274 E HA -0.131 4.222 4.350 0.005 0.000 0.234 274 E C -0.804 175.819 176.600 0.038 0.000 1.183 274 E CA 0.079 56.491 56.400 0.020 0.000 0.713 274 E CB -1.357 28.357 29.700 0.023 0.000 1.226 274 E HN 0.419 nan 8.360 nan 0.000 0.382 275 V N 0.878 120.803 119.914 0.019 0.000 2.604 275 V HA 0.411 4.534 4.120 0.005 0.000 0.305 275 V C -1.812 174.258 176.094 -0.040 0.000 1.043 275 V CA -1.754 60.555 62.300 0.014 0.000 0.888 275 V CB 1.897 33.731 31.823 0.018 0.000 0.995 275 V HN 0.050 nan 8.190 nan 0.000 0.429 276 P HA 0.228 nan 4.420 nan 0.000 0.269 276 P C -1.035 176.212 177.300 -0.088 0.000 1.215 276 P CA -0.260 62.732 63.100 -0.180 0.000 0.780 276 P CB 1.123 32.627 31.700 -0.327 0.000 0.898 277 L N 3.463 124.544 121.223 -0.236 0.000 2.356 277 L HA 0.490 4.833 4.340 0.005 0.000 0.277 277 L C -1.308 175.309 176.870 -0.421 0.000 0.996 277 L CA -0.801 53.910 54.840 -0.216 0.000 0.822 277 L CB 0.950 42.870 42.059 -0.232 0.000 1.256 277 L HN 0.245 nan 8.230 nan 0.000 0.413 278 Y N 3.929 124.096 120.300 -0.222 0.000 2.587 278 Y HA 0.727 5.280 4.550 0.005 0.000 0.337 278 Y C 0.078 175.940 175.900 -0.062 0.000 1.065 278 Y CA -0.449 57.568 58.100 -0.138 0.000 1.126 278 Y CB 1.686 40.102 38.460 -0.073 0.000 1.279 278 Y HN 0.753 nan 8.280 nan 0.000 0.489 279 H N -1.872 117.153 119.070 -0.075 0.000 2.928 279 H HA 0.353 4.912 4.556 0.005 0.000 0.285 279 H C -0.645 174.666 175.328 -0.029 0.000 1.438 279 H CA -1.575 54.394 56.048 -0.132 0.000 1.176 279 H CB 0.651 30.234 29.762 -0.298 0.000 1.864 279 H HN 0.902 nan 8.280 nan 0.000 0.567 280 H N -1.528 117.436 119.070 -0.177 0.000 2.992 280 H HA -0.175 4.384 4.556 0.005 0.000 0.266 280 H C -0.216 175.076 175.328 -0.061 0.000 1.200 280 H CA 0.355 56.290 56.048 -0.189 0.000 1.135 280 H CB -1.088 28.470 29.762 -0.339 0.000 1.282 280 H HN 0.344 nan 8.280 nan 0.000 0.351 281 L N 3.465 124.738 121.223 0.083 0.000 2.455 281 L HA 0.143 4.486 4.340 0.005 0.000 0.272 281 L C -1.593 175.312 176.870 0.058 0.000 1.174 281 L CA -1.104 53.762 54.840 0.042 0.000 0.869 281 L CB 0.517 42.560 42.059 -0.026 0.000 1.130 281 L HN -0.092 nan 8.230 nan 0.000 0.474 282 P HA 0.087 nan 4.420 nan 0.000 0.225 282 P C -0.959 176.387 177.300 0.077 0.000 1.813 282 P CA -0.058 63.075 63.100 0.054 0.000 1.013 282 P CB 0.276 32.001 31.700 0.041 0.000 1.961 283 S N 0.932 116.686 115.700 0.091 0.000 2.575 283 S HA 0.784 5.257 4.470 0.005 0.000 0.278 283 S C -0.306 174.359 174.600 0.109 0.000 1.139 283 S CA 0.042 58.327 58.200 0.140 0.000 0.954 283 S CB 1.227 64.601 63.200 0.289 0.000 1.054 283 S HN 0.543 nan 8.310 nan 0.000 0.483 284 G N 3.293 112.132 108.800 0.066 0.000 2.332 284 G HA2 0.100 4.063 3.960 0.005 0.000 0.265 284 G HA3 0.100 4.063 3.960 0.005 0.000 0.265 284 G C -0.682 174.247 174.900 0.049 0.000 1.329 284 G CA -0.534 44.640 45.100 0.123 0.000 0.949 284 G HN 0.680 nan 8.290 nan 0.000 0.476 285 H N 0.100 119.272 119.070 0.170 0.000 2.539 285 H HA 0.391 4.950 4.556 0.005 0.000 0.269 285 H C 1.740 177.135 175.328 0.111 0.000 0.980 285 H CA 1.146 57.323 56.048 0.216 0.000 1.152 285 H CB 0.362 30.233 29.762 0.182 0.000 1.407 285 H HN 0.671 nan 8.280 nan 0.000 0.564 286 G N -0.637 108.251 108.800 0.146 0.000 2.509 286 G HA2 0.326 4.289 3.960 0.005 0.000 0.269 286 G HA3 0.326 4.289 3.960 0.005 0.000 0.269 286 G C 1.263 176.188 174.900 0.041 0.000 1.416 286 G CA 0.004 45.159 45.100 0.092 0.000 1.052 286 G HN 0.341 nan 8.290 nan 0.000 0.542 287 A N -1.457 121.383 122.820 0.034 0.000 1.933 287 A HA 0.023 4.346 4.320 0.005 0.000 0.218 287 A C 1.517 179.099 177.584 -0.004 0.000 1.175 287 A CA 1.052 53.099 52.037 0.017 0.000 0.628 287 A CB -0.301 18.712 19.000 0.022 0.000 0.814 287 A HN 0.474 nan 8.150 nan 0.000 0.444 288 Q N 0.465 120.264 119.800 -0.001 0.000 2.389 288 Q HA 0.210 4.553 4.340 0.005 0.000 0.244 288 Q C -1.103 174.877 176.000 -0.032 0.000 1.056 288 Q CA -0.073 55.724 55.803 -0.009 0.000 0.908 288 Q CB 0.372 29.113 28.738 0.005 0.000 1.273 288 Q HN 0.424 nan 8.270 nan 0.000 0.471 289 N N 2.698 121.353 118.700 -0.075 0.000 2.711 289 N HA 0.076 4.819 4.740 0.005 0.000 0.263 289 N C -1.235 174.204 175.510 -0.119 0.000 1.667 289 N CA -0.310 52.649 53.050 -0.151 0.000 0.785 289 N CB 0.477 38.742 38.487 -0.370 0.000 1.231 289 N HN 0.197 nan 8.380 nan 0.000 0.503 290 R N 0.572 121.065 120.500 -0.013 0.000 2.438 290 R HA 0.428 4.771 4.340 0.005 0.000 0.287 290 R C 0.244 176.569 176.300 0.042 0.000 1.077 290 R CA -0.383 55.727 56.100 0.017 0.000 1.034 290 R CB 0.197 30.547 30.300 0.084 0.000 0.993 290 R HN 0.420 nan 8.270 nan 0.000 0.459 291 A N 4.762 127.551 122.820 -0.051 0.000 2.462 291 A HA 0.326 4.649 4.320 0.005 0.000 0.243 291 A C -0.217 177.358 177.584 -0.016 0.000 1.076 291 A CA -0.247 51.701 52.037 -0.148 0.000 0.773 291 A CB 0.220 19.081 19.000 -0.232 0.000 1.010 291 A HN 0.757 nan 8.150 nan 0.000 0.493 292 W N 0.998 122.178 121.300 -0.199 0.000 3.033 292 W HA 0.573 5.235 4.660 0.004 0.000 0.336 292 W C -3.198 173.012 176.519 -0.516 0.000 1.173 292 W CA -2.902 54.133 57.345 -0.517 0.000 1.185 292 W CB 1.188 30.368 29.460 -0.466 0.000 1.425 292 W HN 0.416 nan 8.180 nan 0.000 0.536 293 P HA 0.070 nan 4.420 nan 0.000 0.281 293 P C -1.162 176.080 177.300 -0.097 0.000 1.286 293 P CA 0.307 63.188 63.100 -0.366 0.000 0.772 293 P CB 0.632 31.978 31.700 -0.590 0.000 0.862 294 Y N 3.245 123.468 120.300 -0.129 0.000 2.359 294 Y HA 0.382 4.935 4.550 0.005 0.000 0.334 294 Y C 1.617 177.448 175.900 -0.115 0.000 1.058 294 Y CA 1.543 59.632 58.100 -0.018 0.000 1.244 294 Y CB 0.339 38.743 38.460 -0.093 0.000 1.187 294 Y HN 0.812 nan 8.280 nan 0.000 0.510 295 G N 4.067 112.541 108.800 -0.542 0.000 2.176 295 G HA2 -0.325 3.638 3.960 0.005 0.000 0.253 295 G HA3 -0.325 3.638 3.960 0.005 0.000 0.253 295 G C 0.206 174.889 174.900 -0.362 0.000 0.979 295 G CA 0.221 44.843 45.100 -0.797 0.000 0.641 295 G HN 0.657 nan 8.290 nan 0.000 0.530 296 K N 1.258 121.530 120.400 -0.213 0.000 2.218 296 K HA 0.500 4.823 4.320 0.005 0.000 0.276 296 K C 0.465 177.016 176.600 -0.082 0.000 1.022 296 K CA -0.063 56.161 56.287 -0.105 0.000 0.946 296 K CB 0.354 32.784 32.500 -0.116 0.000 1.000 296 K HN 0.050 nan 8.250 nan 0.000 0.468 297 T N 2.288 116.836 114.554 -0.011 0.000 2.902 297 T HA 0.274 4.627 4.350 0.005 0.000 0.301 297 T C -0.329 174.403 174.700 0.054 0.000 1.012 297 T CA -0.078 62.029 62.100 0.011 0.000 1.151 297 T CB 0.825 69.713 68.868 0.034 0.000 0.946 297 T HN 0.647 nan 8.240 nan 0.000 0.542 298 A N 2.939 125.776 122.820 0.028 0.000 2.527 298 A HA 0.806 5.129 4.320 0.005 0.000 0.293 298 A C -1.016 176.577 177.584 0.014 0.000 1.117 298 A CA -0.741 51.343 52.037 0.078 0.000 0.723 298 A CB 1.638 20.689 19.000 0.084 0.000 1.313 298 A HN 0.623 nan 8.150 nan 0.000 0.411 299 V N 1.017 120.939 119.914 0.014 0.000 2.487 299 V HA 0.519 4.642 4.120 0.005 0.000 0.298 299 V C -1.117 174.927 176.094 -0.083 0.000 1.028 299 V CA -0.436 61.845 62.300 -0.032 0.000 0.860 299 V CB 1.329 33.141 31.823 -0.019 0.000 0.991 299 V HN 0.744 nan 8.190 nan 0.000 0.427 300 L N 4.516 125.652 121.223 -0.144 0.000 2.305 300 L HA 0.739 5.082 4.340 0.005 0.000 0.284 300 L C -0.446 176.310 176.870 -0.189 0.000 1.013 300 L CA 0.226 54.898 54.840 -0.279 0.000 0.819 300 L CB 1.225 42.989 42.059 -0.493 0.000 1.227 300 L HN 0.865 nan 8.230 nan 0.000 0.417 301 E N 3.262 123.398 120.200 -0.107 0.000 2.397 301 E HA 0.504 4.857 4.350 0.005 0.000 0.293 301 E C 0.281 176.926 176.600 0.075 0.000 0.930 301 E CA 0.128 56.543 56.400 0.024 0.000 0.793 301 E CB 1.056 30.758 29.700 0.004 0.000 1.259 301 E HN 0.857 nan 8.360 nan 0.000 0.406 302 G N 4.398 113.285 108.800 0.146 0.000 2.634 302 G HA2 -0.404 3.559 3.960 0.005 0.000 0.318 302 G HA3 -0.404 3.559 3.960 0.005 0.000 0.318 302 G C 0.401 175.412 174.900 0.184 0.000 1.207 302 G CA 0.814 45.991 45.100 0.129 0.000 0.987 302 G HN 0.838 nan 8.290 nan 0.000 0.547 303 N N 1.097 119.863 118.700 0.109 0.000 2.273 303 N HA 0.257 5.000 4.740 0.005 0.000 0.231 303 N C 0.369 175.916 175.510 0.062 0.000 1.134 303 N CA 0.105 53.220 53.050 0.109 0.000 0.856 303 N CB 0.389 38.923 38.487 0.078 0.000 1.068 303 N HN 0.584 nan 8.380 nan 0.000 0.510 304 R N 0.272 120.790 120.500 0.030 0.000 2.725 304 R HA 0.404 4.747 4.340 0.005 0.000 0.277 304 R C -1.401 174.860 176.300 -0.066 0.000 0.987 304 R CA -0.834 55.253 56.100 -0.022 0.000 0.901 304 R CB 1.993 32.266 30.300 -0.045 0.000 1.207 304 R HN 0.175 nan 8.270 nan 0.000 0.463 305 L N 2.510 123.692 121.223 -0.069 0.000 2.296 305 L HA 0.536 4.879 4.340 0.005 0.000 0.286 305 L C -0.663 176.177 176.870 -0.051 0.000 1.023 305 L CA -0.044 54.758 54.840 -0.063 0.000 0.812 305 L CB 0.928 42.961 42.059 -0.043 0.000 1.223 305 L HN 0.482 nan 8.230 nan 0.000 0.421 306 R N 3.869 124.346 120.500 -0.039 0.000 2.807 306 R HA 0.755 5.098 4.340 0.005 0.000 0.276 306 R C -1.619 174.725 176.300 0.074 0.000 0.979 306 R CA -0.614 55.398 56.100 -0.145 0.000 0.928 306 R CB 1.823 32.034 30.300 -0.148 0.000 1.191 306 R HN 0.781 nan 8.270 nan 0.000 0.471 307 W N 0.000 121.330 121.300 0.049 0.000 2.388 307 W HA 0.000 4.663 4.660 0.005 0.000 0.303 307 W CA 0.000 57.384 57.345 0.065 0.000 1.226 307 W CB 0.000 29.479 29.460 0.031 0.000 1.126 307 W HN 0.000 nan 8.180 nan 0.000 0.535