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 2g85_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRWITAGES HGRALVAVVE GMVAGVHVTS ADIADQLARR RLGYGXXXXX DATA SEQUENCE XFERDAVTVL SGIRHGSTLG GPIAIEIGNT EWPKWETVMA ADPVDPAELA DATA SEQUENCE DVARNAPLTR PRPGHADYAG MLKYGFDDAR PVLERASARE TAARVAAGTV DATA SEQUENCE ARAFLRQALG VEVLSHVISI GASAPYEGPP PRAEDLPAID ASPVRAYDKA DATA SEQUENCE AEADMIAQIE AAKKDGDTLG GVVEAVALGL PVGLGSFTSG DHRLDSQLAA DATA SEQUENCE AVMGIQAIKG VEIGDGFQTA RRRGSRAHDE MYPGPDGVVR STNRAGGLEG DATA SEQUENCE GMTNGQPLRV RAAMKPISTV PRALATVDLA TGDEAVAIHQ RSDVCAVPAA DATA SEQUENCE GVVVETMVAL VLARAALEKF GGDSLAETQR NIAAYQRSVA DR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.047 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.562 32.600 -0.063 0.000 1.302 2 L N 4.752 125.963 121.223 -0.020 0.000 2.559 2 L HA 0.259 4.599 4.340 -0.000 0.000 0.274 2 L C -0.664 176.220 176.870 0.024 0.000 1.205 2 L CA 1.476 56.345 54.840 0.048 0.000 0.907 2 L CB 0.109 42.241 42.059 0.121 0.000 1.153 2 L HN 0.622 nan 8.230 nan 0.000 0.490 3 R N 3.976 124.483 120.500 0.011 0.000 2.771 3 R HA 0.679 5.018 4.340 -0.000 0.000 0.274 3 R C -1.775 174.553 176.300 0.048 0.000 0.987 3 R CA -0.801 55.171 56.100 -0.213 0.000 0.908 3 R CB 1.413 31.572 30.300 -0.236 0.000 1.213 3 R HN 0.690 nan 8.270 nan 0.000 0.468 4 W N 1.497 122.782 121.300 -0.024 0.000 3.022 4 W HA 0.750 5.410 4.660 -0.000 0.000 0.335 4 W C -1.167 175.342 176.519 -0.017 0.000 1.133 4 W CA -1.133 56.200 57.345 -0.021 0.000 1.219 4 W CB 0.827 30.277 29.460 -0.016 0.000 1.409 4 W HN 0.600 nan 8.180 nan 0.000 0.507 5 I N 1.761 122.422 120.570 0.152 0.000 2.769 5 I HA 0.776 4.946 4.170 -0.000 0.000 0.298 5 I C -1.120 175.054 176.117 0.096 0.000 1.128 5 I CA -0.416 60.930 61.300 0.077 0.000 1.031 5 I CB 2.679 40.678 38.000 -0.002 0.000 1.235 5 I HN 0.497 nan 8.210 nan 0.000 0.423 6 T N 5.608 120.209 114.554 0.077 0.000 2.856 6 T HA 0.881 5.231 4.350 -0.000 0.000 0.283 6 T C -0.859 173.852 174.700 0.018 0.000 1.008 6 T CA -0.349 61.783 62.100 0.054 0.000 0.997 6 T CB 1.412 70.324 68.868 0.074 0.000 0.992 6 T HN 0.819 nan 8.240 nan 0.000 0.454 7 A N 1.635 124.453 122.820 -0.002 0.000 2.539 7 A HA 1.017 5.336 4.320 -0.000 0.000 0.296 7 A C -0.138 177.421 177.584 -0.042 0.000 1.073 7 A CA -0.245 51.779 52.037 -0.022 0.000 0.700 7 A CB 1.648 20.633 19.000 -0.024 0.000 1.296 7 A HN 1.481 nan 8.150 nan 0.000 0.405 8 G N 0.436 109.201 108.800 -0.058 0.000 2.435 8 G HA2 0.437 4.397 3.960 -0.000 0.000 0.603 8 G HA3 0.437 4.397 3.960 -0.000 0.000 0.603 8 G C -1.434 173.407 174.900 -0.098 0.000 1.496 8 G CA -0.850 44.199 45.100 -0.084 0.000 0.896 8 G HN 0.807 nan 8.290 nan 0.000 0.657 9 E N 0.185 120.312 120.200 -0.121 0.000 2.222 9 E HA 0.623 4.972 4.350 -0.000 0.000 0.272 9 E C 1.599 178.059 176.600 -0.233 0.000 0.982 9 E CA 0.008 56.315 56.400 -0.156 0.000 0.842 9 E CB 1.508 31.131 29.700 -0.129 0.000 1.144 9 E HN 0.689 nan 8.360 nan 0.000 0.397 10 S N 1.285 116.775 115.700 -0.351 0.000 2.400 10 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 10 S C 0.772 174.965 174.600 -0.679 0.000 1.025 10 S CA 1.450 59.339 58.200 -0.519 0.000 0.993 10 S CB -0.378 62.407 63.200 -0.691 0.000 0.808 10 S HN 0.612 nan 8.310 nan 0.000 0.478 11 H N 0.704 119.517 119.070 -0.429 0.000 2.674 11 H HA 0.502 5.058 4.556 -0.000 0.000 0.274 11 H C 1.240 176.450 175.328 -0.197 0.000 1.121 11 H CA -0.216 55.432 56.048 -0.668 0.000 1.132 11 H CB 0.249 28.952 29.762 -1.765 0.000 1.606 11 H HN 0.473 nan 8.280 nan 0.000 0.558 12 G N 0.156 108.933 108.800 -0.038 0.000 2.563 12 G HA2 0.039 3.999 3.960 -0.000 0.000 0.283 12 G HA3 0.039 3.999 3.960 -0.000 0.000 0.283 12 G C 0.922 175.711 174.900 -0.185 0.000 1.309 12 G CA -0.545 44.572 45.100 0.029 0.000 1.022 12 G HN 0.286 nan 8.290 nan 0.000 0.501 13 R N -0.836 119.261 120.500 -0.671 0.000 2.083 13 R HA 0.127 4.467 4.340 -0.000 0.000 0.237 13 R C 0.975 176.926 176.300 -0.582 0.000 1.137 13 R CA 1.943 57.312 56.100 -1.219 0.000 0.951 13 R CB -0.236 29.408 30.300 -1.094 0.000 0.851 13 R HN 0.675 nan 8.270 nan 0.000 0.434 14 A N -1.002 121.606 122.820 -0.353 0.000 2.609 14 A HA 0.534 4.854 4.320 -0.000 0.000 0.291 14 A C -1.514 175.980 177.584 -0.150 0.000 1.096 14 A CA -0.904 51.003 52.037 -0.216 0.000 0.684 14 A CB 1.135 20.015 19.000 -0.201 0.000 1.282 14 A HN 0.141 nan 8.150 nan 0.000 0.412 15 L N 0.409 121.570 121.223 -0.103 0.000 2.344 15 L HA 0.762 5.102 4.340 -0.000 0.000 0.272 15 L C -0.737 176.097 176.870 -0.060 0.000 1.035 15 L CA -1.080 53.716 54.840 -0.074 0.000 0.807 15 L CB 1.665 43.693 42.059 -0.051 0.000 1.237 15 L HN 0.435 nan 8.230 nan 0.000 0.442 16 V N 0.821 120.709 119.914 -0.043 0.000 2.735 16 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 16 V C -0.206 175.886 176.094 -0.004 0.000 1.061 16 V CA -0.623 61.660 62.300 -0.028 0.000 0.913 16 V CB 1.834 33.638 31.823 -0.032 0.000 1.005 16 V HN 0.863 nan 8.190 nan 0.000 0.428 17 A N 3.875 126.699 122.820 0.006 0.000 2.303 17 A HA 0.866 5.186 4.320 -0.000 0.000 0.320 17 A C -0.904 176.700 177.584 0.033 0.000 1.192 17 A CA -0.531 51.525 52.037 0.031 0.000 0.821 17 A CB 1.435 20.453 19.000 0.031 0.000 1.188 17 A HN 0.691 nan 8.150 nan 0.000 0.492 18 V N 3.108 123.053 119.914 0.051 0.000 2.448 18 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 18 V C -0.407 175.736 176.094 0.082 0.000 1.025 18 V CA -0.524 61.803 62.300 0.044 0.000 0.859 18 V CB 1.621 33.457 31.823 0.022 0.000 0.988 18 V HN 0.630 nan 8.190 nan 0.000 0.431 19 V N 4.660 124.616 119.914 0.070 0.000 2.357 19 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 19 V C -0.003 176.123 176.094 0.054 0.000 1.018 19 V CA -0.468 61.892 62.300 0.099 0.000 0.841 19 V CB 1.569 33.443 31.823 0.085 0.000 0.991 19 V HN 0.992 nan 8.190 nan 0.000 0.437 20 E N 3.593 123.823 120.200 0.051 0.000 2.202 20 E HA 0.599 4.949 4.350 -0.000 0.000 0.272 20 E C 0.867 177.469 176.600 0.003 0.000 0.951 20 E CA 0.188 56.594 56.400 0.011 0.000 0.813 20 E CB 1.690 31.384 29.700 -0.011 0.000 1.151 20 E HN 0.900 nan 8.360 nan 0.000 0.398 21 G N 2.990 111.779 108.800 -0.017 0.000 2.157 21 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 21 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 21 G C 0.001 174.863 174.900 -0.063 0.000 0.979 21 G CA 0.362 45.441 45.100 -0.035 0.000 0.650 21 G HN 0.509 nan 8.290 nan 0.000 0.529 22 M N 2.174 121.739 119.600 -0.059 0.000 2.211 22 M HA 0.606 5.085 4.480 -0.000 0.000 0.356 22 M C 1.084 177.344 176.300 -0.066 0.000 1.216 22 M CA -0.858 54.378 55.300 -0.106 0.000 1.134 22 M CB 1.253 33.810 32.600 -0.072 0.000 1.564 22 M HN 1.087 nan 8.290 nan 0.000 0.463 23 V N 3.613 123.482 119.914 -0.076 0.000 2.901 23 V HA 0.466 4.586 4.120 -0.000 0.000 0.307 23 V C 0.551 176.668 176.094 0.039 0.000 1.084 23 V CA -0.618 61.687 62.300 0.009 0.000 1.184 23 V CB -1.101 30.767 31.823 0.076 0.000 0.941 23 V HN 1.117 nan 8.190 nan 0.000 0.493 24 A N 3.542 126.385 122.820 0.038 0.000 2.466 24 A HA 0.548 4.868 4.320 -0.000 0.000 0.238 24 A C 1.563 179.188 177.584 0.067 0.000 1.074 24 A CA 0.414 52.476 52.037 0.041 0.000 0.774 24 A CB -0.427 18.592 19.000 0.031 0.000 1.015 24 A HN 2.877 nan 8.150 nan 0.000 0.498 25 G N -0.252 108.587 108.800 0.064 0.000 2.157 25 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.239 25 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.239 25 G C 0.085 175.046 174.900 0.102 0.000 0.982 25 G CA 0.021 45.168 45.100 0.078 0.000 0.650 25 G HN 1.375 nan 8.290 nan 0.000 0.527 26 V N 2.471 122.451 119.914 0.109 0.000 2.461 26 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 26 V C 0.862 177.015 176.094 0.098 0.000 1.047 26 V CA -0.818 61.562 62.300 0.132 0.000 0.955 26 V CB 1.368 33.298 31.823 0.178 0.000 0.988 26 V HN 0.388 nan 8.190 nan 0.000 0.471 27 H N 5.242 124.344 119.070 0.053 0.000 2.944 27 H HA 0.491 5.046 4.556 -0.000 0.000 0.278 27 H C -0.902 174.451 175.328 0.042 0.000 1.083 27 H CA 0.045 56.118 56.048 0.043 0.000 1.479 27 H CB 0.947 30.728 29.762 0.031 0.000 1.486 27 H HN 0.495 nan 8.280 nan 0.000 0.493 28 V N 3.105 122.834 119.914 -0.308 0.000 3.048 28 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 28 V C -0.038 175.910 176.094 -0.243 0.000 1.214 28 V CA -0.941 61.268 62.300 -0.152 0.000 0.984 28 V CB 1.752 33.544 31.823 -0.053 0.000 1.054 28 V HN 0.860 nan 8.190 nan 0.000 0.430 29 T N -2.087 112.402 114.554 -0.109 0.000 2.883 29 T HA 0.480 4.829 4.350 -0.000 0.000 0.296 29 T C 0.988 175.679 174.700 -0.015 0.000 1.117 29 T CA 0.114 62.173 62.100 -0.069 0.000 1.006 29 T CB 1.752 70.612 68.868 -0.013 0.000 1.191 29 T HN 1.309 nan 8.240 nan 0.000 0.508 30 S N 0.622 116.319 115.700 -0.005 0.000 2.442 30 S HA -0.026 4.444 4.470 -0.000 0.000 0.236 30 S C 2.303 176.920 174.600 0.028 0.000 1.007 30 S CA 0.763 58.968 58.200 0.008 0.000 0.965 30 S CB -1.038 62.163 63.200 0.002 0.000 0.773 30 S HN 1.108 nan 8.310 nan 0.000 0.504 31 A N 2.580 125.422 122.820 0.037 0.000 1.898 31 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 31 A C 1.964 179.586 177.584 0.064 0.000 1.181 31 A CA 1.559 53.629 52.037 0.055 0.000 0.620 31 A CB -0.815 18.219 19.000 0.057 0.000 0.819 31 A HN 0.495 nan 8.150 nan 0.000 0.442 32 D N 0.087 120.520 120.400 0.055 0.000 2.149 32 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 32 D C 1.809 178.138 176.300 0.049 0.000 0.990 32 D CA 1.284 55.315 54.000 0.052 0.000 0.839 32 D CB -0.321 40.508 40.800 0.047 0.000 0.948 32 D HN 0.540 nan 8.370 nan 0.000 0.460 33 I N 1.147 121.745 120.570 0.046 0.000 2.233 33 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 33 I C 2.514 178.689 176.117 0.096 0.000 1.093 33 I CA 0.972 62.302 61.300 0.051 0.000 1.380 33 I CB -0.153 37.868 38.000 0.035 0.000 1.067 33 I HN -0.093 nan 8.210 nan 0.000 0.413 34 A N 0.299 123.193 122.820 0.123 0.000 1.930 34 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 34 A C 1.922 179.667 177.584 0.268 0.000 1.175 34 A CA 1.885 54.068 52.037 0.242 0.000 0.627 34 A CB -0.572 18.531 19.000 0.171 0.000 0.815 34 A HN 0.328 nan 8.150 nan 0.000 0.443 35 D N -0.277 120.207 120.400 0.139 0.000 2.123 35 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 35 D C 2.098 178.402 176.300 0.007 0.000 0.992 35 D CA 1.322 55.364 54.000 0.070 0.000 0.833 35 D CB -0.229 40.601 40.800 0.050 0.000 0.954 35 D HN 0.375 nan 8.370 nan 0.000 0.455 36 Q N -0.339 119.472 119.800 0.018 0.000 2.172 36 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 36 Q C 2.186 178.163 176.000 -0.038 0.000 0.964 36 Q CA 0.283 56.078 55.803 -0.013 0.000 0.855 36 Q CB -0.193 28.545 28.738 -0.000 0.000 0.918 36 Q HN 0.258 nan 8.270 nan 0.000 0.444 37 L N 0.444 121.673 121.223 0.010 0.000 2.093 37 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 37 L C 2.213 178.869 176.870 -0.358 0.000 1.085 37 L CA 1.576 56.419 54.840 0.004 0.000 0.755 37 L CB -1.454 40.785 42.059 0.300 0.000 0.904 37 L HN 0.088 nan 8.230 nan 0.000 0.435 38 A N -0.587 121.874 122.820 -0.597 0.000 1.877 38 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 38 A C 2.415 179.757 177.584 -0.403 0.000 1.186 38 A CA 1.313 52.817 52.037 -0.890 0.000 0.620 38 A CB -0.410 18.256 19.000 -0.555 0.000 0.822 38 A HN 0.351 nan 8.150 nan 0.000 0.443 39 R N -0.945 119.425 120.500 -0.218 0.000 2.105 39 R HA -0.133 4.206 4.340 -0.000 0.000 0.239 39 R C 2.412 178.644 176.300 -0.113 0.000 1.135 39 R CA 1.471 57.496 56.100 -0.125 0.000 0.967 39 R CB -0.332 29.925 30.300 -0.072 0.000 0.861 39 R HN 0.532 nan 8.270 nan 0.000 0.442 40 R N 0.754 121.180 120.500 -0.124 0.000 2.193 40 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 40 R C 1.379 177.625 176.300 -0.091 0.000 1.110 40 R CA 0.972 57.021 56.100 -0.085 0.000 0.988 40 R CB 0.179 30.442 30.300 -0.062 0.000 0.871 40 R HN 0.024 nan 8.270 nan 0.000 0.458 41 R N 0.115 120.520 120.500 -0.159 0.000 2.297 41 R HA 0.090 4.429 4.340 -0.000 0.000 0.197 41 R C 0.163 176.417 176.300 -0.077 0.000 0.943 41 R CA -0.040 55.987 56.100 -0.122 0.000 1.038 41 R CB -0.363 29.819 30.300 -0.196 0.000 0.957 41 R HN 0.060 nan 8.270 nan 0.000 0.484 42 L N 0.639 121.817 121.223 -0.075 0.000 2.483 42 L HA 0.281 4.621 4.340 -0.000 0.000 0.276 42 L C 0.931 177.801 176.870 0.000 0.000 1.213 42 L CA 0.872 55.690 54.840 -0.036 0.000 0.843 42 L CB -0.112 41.928 42.059 -0.032 0.000 1.107 42 L HN 0.512 nan 8.230 nan 0.000 0.487 43 G N 2.254 111.070 108.800 0.026 0.000 3.088 43 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.620 43 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.620 43 G C -0.948 174.029 174.900 0.129 0.000 1.375 43 G CA -0.956 44.186 45.100 0.069 0.000 1.016 43 G HN 0.624 nan 8.290 nan 0.000 0.590 44 Y N 2.006 122.305 120.300 -0.002 0.000 2.805 44 Y HA 0.311 4.861 4.550 -0.000 0.000 0.390 44 Y C 0.845 176.748 175.900 0.004 0.000 1.359 44 Y CA 1.548 59.649 58.100 0.001 0.000 1.748 44 Y CB -0.218 38.242 38.460 0.001 0.000 1.211 44 Y HN 1.523 nan 8.280 nan 0.000 0.500 53 E N 1.104 121.493 120.200 0.316 0.000 1.964 53 E HA 0.090 4.439 4.350 -0.000 0.000 0.203 53 E C -0.115 176.459 176.600 -0.043 0.000 0.952 53 E CA 1.094 57.569 56.400 0.125 0.000 0.892 53 E CB -0.084 29.661 29.700 0.076 0.000 0.831 53 E HN 0.458 nan 8.360 nan 0.000 0.548 54 R N -0.676 119.545 120.500 -0.465 0.000 2.663 54 R HA 0.288 4.628 4.340 -0.000 0.000 0.267 54 R C -0.532 175.206 176.300 -0.938 0.000 1.038 54 R CA -0.544 55.153 56.100 -0.671 0.000 0.886 54 R CB 0.496 30.643 30.300 -0.255 0.000 1.249 54 R HN -0.100 nan 8.270 nan 0.000 0.463 55 D N 1.489 121.478 120.400 -0.685 0.000 2.190 55 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 55 D C 0.767 176.929 176.300 -0.229 0.000 0.992 55 D CA 2.061 55.825 54.000 -0.395 0.000 0.854 55 D CB -0.113 40.609 40.800 -0.130 0.000 0.936 55 D HN 0.663 nan 8.370 nan 0.000 0.462 56 A N 1.316 124.025 122.820 -0.184 0.000 3.017 56 A HA 0.251 4.571 4.320 -0.000 0.000 0.283 56 A C 0.659 178.171 177.584 -0.120 0.000 1.892 56 A CA -0.205 51.762 52.037 -0.117 0.000 1.469 56 A CB -0.848 18.106 19.000 -0.078 0.000 0.999 56 A HN 0.121 nan 8.150 nan 0.000 0.605 57 V N 1.840 121.692 119.914 -0.103 0.000 2.924 57 V HA 0.614 4.734 4.120 -0.000 0.000 0.305 57 V C 0.093 176.164 176.094 -0.038 0.000 1.073 57 V CA 0.348 62.615 62.300 -0.054 0.000 1.098 57 V CB 1.133 32.944 31.823 -0.020 0.000 1.000 57 V HN 0.586 nan 8.190 nan 0.000 0.484 58 T N 4.839 119.374 114.554 -0.032 0.000 2.881 58 T HA 0.440 4.790 4.350 -0.000 0.000 0.291 58 T C -0.479 174.207 174.700 -0.023 0.000 0.990 58 T CA -0.399 61.685 62.100 -0.027 0.000 0.976 58 T CB 1.323 70.172 68.868 -0.031 0.000 0.970 58 T HN 0.749 nan 8.240 nan 0.000 0.438 59 V N 5.041 124.943 119.914 -0.020 0.000 2.446 59 V HA 0.060 4.179 4.120 -0.000 0.000 0.276 59 V C 0.754 176.834 176.094 -0.024 0.000 1.030 59 V CA -0.146 62.142 62.300 -0.021 0.000 1.033 59 V CB 0.425 32.234 31.823 -0.023 0.000 0.993 59 V HN 0.724 nan 8.190 nan 0.000 0.477 60 L N 4.268 125.476 121.223 -0.024 0.000 2.298 60 L HA 0.217 4.556 4.340 -0.000 0.000 0.209 60 L C 1.043 177.897 176.870 -0.026 0.000 1.084 60 L CA 1.104 55.929 54.840 -0.026 0.000 0.816 60 L CB -0.225 41.818 42.059 -0.026 0.000 0.967 60 L HN 0.930 nan 8.230 nan 0.000 0.460 61 S N -3.440 112.245 115.700 -0.026 0.000 2.567 61 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 61 S C 0.447 175.030 174.600 -0.028 0.000 1.152 61 S CA -0.045 58.138 58.200 -0.027 0.000 0.835 61 S CB 1.499 64.685 63.200 -0.023 0.000 1.115 61 S HN 0.436 nan 8.310 nan 0.000 0.459 62 G N 0.381 109.163 108.800 -0.031 0.000 2.195 62 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.246 62 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.246 62 G C -0.180 174.700 174.900 -0.033 0.000 0.984 62 G CA 0.229 45.313 45.100 -0.027 0.000 0.633 62 G HN 1.156 nan 8.290 nan 0.000 0.525 63 I N 0.110 120.653 120.570 -0.045 0.000 2.533 63 I HA 0.601 4.770 4.170 -0.000 0.000 0.290 63 I C -0.001 176.067 176.117 -0.082 0.000 1.056 63 I CA -0.940 60.325 61.300 -0.057 0.000 1.057 63 I CB 2.244 40.209 38.000 -0.058 0.000 1.240 63 I HN 0.124 nan 8.210 nan 0.000 0.423 64 R N 4.769 125.209 120.500 -0.101 0.000 2.502 64 R HA 0.430 4.770 4.340 -0.000 0.000 0.300 64 R C -0.593 175.629 176.300 -0.130 0.000 0.984 64 R CA -0.523 55.460 56.100 -0.196 0.000 0.882 64 R CB 0.639 30.789 30.300 -0.250 0.000 1.180 64 R HN 0.810 nan 8.270 nan 0.000 0.444 65 H N 2.698 121.762 119.070 -0.010 0.000 2.791 65 H HA -0.200 4.356 4.556 -0.000 0.000 0.302 65 H C 0.852 176.175 175.328 -0.008 0.000 1.198 65 H CA 0.710 56.761 56.048 0.006 0.000 1.145 65 H CB -0.904 28.873 29.762 0.025 0.000 1.385 65 H HN 1.156 nan 8.280 nan 0.000 0.409 66 G N -0.259 108.543 108.800 0.002 0.000 2.153 66 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.252 66 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.252 66 G C 0.120 174.832 174.900 -0.312 0.000 0.994 66 G CA 0.560 45.515 45.100 -0.242 0.000 0.698 66 G HN 0.709 nan 8.290 nan 0.000 0.521 67 S N 0.380 116.028 115.700 -0.087 0.000 2.605 67 S HA 0.665 5.135 4.470 -0.000 0.000 0.308 67 S C 0.519 175.104 174.600 -0.024 0.000 1.113 67 S CA 0.413 58.598 58.200 -0.025 0.000 1.049 67 S CB 0.961 64.201 63.200 0.067 0.000 1.001 67 S HN 1.242 nan 8.310 nan 0.000 0.480 68 T N 3.205 117.752 114.554 -0.011 0.000 2.946 68 T HA 0.171 4.521 4.350 -0.000 0.000 0.311 68 T C 1.294 175.994 174.700 0.000 0.000 1.063 68 T CA -0.273 61.824 62.100 -0.005 0.000 1.139 68 T CB 0.218 69.095 68.868 0.015 0.000 0.994 68 T HN 0.594 nan 8.240 nan 0.000 0.547 69 L N 2.157 123.374 121.223 -0.011 0.000 2.477 69 L HA 0.298 4.638 4.340 -0.000 0.000 0.220 69 L C 2.297 179.165 176.870 -0.003 0.000 1.106 69 L CA 0.724 55.557 54.840 -0.012 0.000 0.851 69 L CB -0.485 41.559 42.059 -0.026 0.000 0.994 69 L HN 1.190 nan 8.230 nan 0.000 0.462 70 G N -0.759 108.040 108.800 -0.002 0.000 2.254 70 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.225 70 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.225 70 G C 0.572 175.467 174.900 -0.009 0.000 1.003 70 G CA -0.198 44.901 45.100 -0.002 0.000 0.622 70 G HN 0.489 nan 8.290 nan 0.000 0.507 71 G N 0.339 109.132 108.800 -0.011 0.000 2.583 71 G HA2 0.696 4.656 3.960 -0.000 0.000 0.280 71 G HA3 0.696 4.656 3.960 -0.000 0.000 0.280 71 G C -2.483 172.410 174.900 -0.012 0.000 1.376 71 G CA -0.698 44.394 45.100 -0.013 0.000 1.043 71 G HN 0.228 nan 8.290 nan 0.000 0.538 72 P HA 0.244 nan 4.420 nan 0.000 0.271 72 P C -0.615 176.682 177.300 -0.006 0.000 1.216 72 P CA 0.144 63.240 63.100 -0.006 0.000 0.771 72 P CB 0.793 32.488 31.700 -0.008 0.000 0.864 73 I N 2.289 122.859 120.570 0.000 0.000 2.307 73 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 73 I C 0.389 176.507 176.117 0.002 0.000 1.021 73 I CA -0.502 60.796 61.300 -0.003 0.000 1.224 73 I CB 1.123 39.123 38.000 0.001 0.000 1.376 73 I HN 0.290 nan 8.210 nan 0.000 0.470 74 A N 8.061 130.877 122.820 -0.006 0.000 2.304 74 A HA 0.854 5.174 4.320 -0.000 0.000 0.323 74 A C -0.611 176.966 177.584 -0.011 0.000 1.195 74 A CA -0.421 51.612 52.037 -0.006 0.000 0.826 74 A CB 0.588 19.581 19.000 -0.012 0.000 1.184 74 A HN 0.678 nan 8.150 nan 0.000 0.496 75 I N 1.706 122.271 120.570 -0.007 0.000 2.447 75 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 75 I C 0.042 176.149 176.117 -0.017 0.000 1.023 75 I CA -0.193 61.101 61.300 -0.011 0.000 1.083 75 I CB 1.961 39.960 38.000 -0.002 0.000 1.245 75 I HN 0.759 nan 8.210 nan 0.000 0.434 76 E N 6.383 126.567 120.200 -0.027 0.000 2.216 76 E HA 0.465 4.815 4.350 -0.000 0.000 0.279 76 E C -1.268 175.310 176.600 -0.038 0.000 0.997 76 E CA -0.842 55.534 56.400 -0.040 0.000 0.817 76 E CB 2.124 31.794 29.700 -0.051 0.000 1.096 76 E HN 0.552 nan 8.360 nan 0.000 0.393 77 I N 2.945 123.490 120.570 -0.042 0.000 2.382 77 I HA 0.439 4.608 4.170 -0.000 0.000 0.285 77 I C -0.071 176.011 176.117 -0.058 0.000 1.007 77 I CA -0.276 61.001 61.300 -0.039 0.000 1.142 77 I CB 1.280 39.275 38.000 -0.009 0.000 1.289 77 I HN 0.480 nan 8.210 nan 0.000 0.453 78 G N 4.748 113.511 108.800 -0.061 0.000 2.441 78 G HA2 0.033 3.992 3.960 -0.000 0.000 0.243 78 G HA3 0.033 3.992 3.960 -0.000 0.000 0.243 78 G C -0.197 174.683 174.900 -0.034 0.000 1.281 78 G CA -0.449 44.610 45.100 -0.068 0.000 0.854 78 G HN 0.773 nan 8.290 nan 0.000 0.560 79 N N 1.276 119.957 118.700 -0.031 0.000 2.405 79 N HA 0.058 4.798 4.740 -0.000 0.000 0.260 79 N C 1.394 176.995 175.510 0.151 0.000 1.152 79 N CA -0.043 53.046 53.050 0.066 0.000 0.948 79 N CB 1.047 39.601 38.487 0.110 0.000 1.111 79 N HN 0.254 nan 8.380 nan 0.000 0.485 80 T N 2.402 117.033 114.554 0.128 0.000 2.951 80 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 80 T C 0.678 175.485 174.700 0.180 0.000 1.073 80 T CA 1.166 63.339 62.100 0.123 0.000 1.134 80 T CB -0.008 68.910 68.868 0.084 0.000 0.884 80 T HN 0.772 nan 8.240 nan 0.000 0.479 81 E N 0.063 120.415 120.200 0.254 0.000 2.723 81 E HA 0.062 4.411 4.350 -0.000 0.000 0.219 81 E C 1.435 178.296 176.600 0.436 0.000 1.060 81 E CA -0.578 55.998 56.400 0.294 0.000 1.291 81 E CB -0.515 29.363 29.700 0.297 0.000 1.265 81 E HN 0.627 nan 8.360 nan 0.000 0.438 82 W N 2.078 123.491 121.300 0.188 0.000 2.358 82 W HA -0.058 4.602 4.660 -0.000 0.000 0.303 82 W C -1.321 175.292 176.519 0.157 0.000 1.208 82 W CA 0.940 58.401 57.345 0.193 0.000 1.274 82 W CB -0.671 28.854 29.460 0.108 0.000 1.138 82 W HN 0.240 nan 8.180 nan 0.000 0.515 83 P HA -0.199 nan 4.420 nan 0.000 0.217 83 P C 1.209 178.333 177.300 -0.294 0.000 1.148 83 P CA 2.249 65.199 63.100 -0.250 0.000 0.828 83 P CB -0.365 31.280 31.700 -0.092 0.000 0.783 84 K N -2.525 117.743 120.400 -0.220 0.000 2.283 84 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 84 K C 1.197 177.409 176.600 -0.647 0.000 1.048 84 K CA 1.189 57.216 56.287 -0.433 0.000 0.948 84 K CB -0.243 31.951 32.500 -0.509 0.000 0.742 84 K HN 0.309 nan 8.250 nan 0.000 0.458 85 W N 0.130 121.231 121.300 -0.332 0.000 2.725 85 W HA 0.174 4.833 4.660 -0.000 0.000 0.336 85 W C 1.259 177.408 176.519 -0.616 0.000 1.012 85 W CA -0.573 56.600 57.345 -0.287 0.000 1.566 85 W CB 0.544 30.017 29.460 0.023 0.000 1.068 85 W HN -0.007 nan 8.180 nan 0.000 0.546 86 E N 0.142 119.752 120.200 -0.984 0.000 2.208 86 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 86 E C 1.401 177.738 176.600 -0.438 0.000 1.014 86 E CA 1.969 57.624 56.400 -1.241 0.000 0.819 86 E CB 0.080 29.245 29.700 -0.892 0.000 0.735 86 E HN 0.188 nan 8.360 nan 0.000 0.469 87 T N -0.701 113.691 114.554 -0.270 0.000 3.046 87 T HA 0.015 4.365 4.350 -0.000 0.000 0.242 87 T C 1.957 176.639 174.700 -0.030 0.000 1.018 87 T CA 0.207 62.236 62.100 -0.117 0.000 1.131 87 T CB 0.179 68.972 68.868 -0.126 0.000 0.904 87 T HN -0.053 nan 8.240 nan 0.000 0.459 88 V N 1.675 121.579 119.914 -0.017 0.000 2.427 88 V HA 0.006 4.126 4.120 -0.000 0.000 0.248 88 V C 1.710 177.916 176.094 0.187 0.000 1.051 88 V CA 1.233 63.586 62.300 0.088 0.000 1.048 88 V CB -0.321 31.565 31.823 0.106 0.000 0.666 88 V HN 0.429 nan 8.190 nan 0.000 0.456 89 M N -0.354 119.404 119.600 0.263 0.000 2.685 89 M HA 0.409 4.889 4.480 -0.000 0.000 0.355 89 M C 0.572 177.100 176.300 0.378 0.000 1.197 89 M CA -0.665 54.825 55.300 0.318 0.000 0.947 89 M CB -0.244 32.618 32.600 0.437 0.000 1.346 89 M HN 0.245 nan 8.290 nan 0.000 0.516 90 A N 0.473 123.445 122.820 0.253 0.000 2.567 90 A HA 0.394 4.714 4.320 -0.000 0.000 0.240 90 A C 1.481 179.182 177.584 0.196 0.000 1.053 90 A CA 0.821 53.008 52.037 0.249 0.000 0.755 90 A CB 0.253 19.325 19.000 0.121 0.000 0.978 90 A HN 0.610 nan 8.150 nan 0.000 0.507 91 A N 2.419 125.355 122.820 0.193 0.000 1.898 91 A HA 0.042 4.361 4.320 -0.000 0.000 0.216 91 A C 0.829 178.463 177.584 0.084 0.000 1.181 91 A CA 1.269 53.373 52.037 0.111 0.000 0.620 91 A CB -0.273 18.776 19.000 0.082 0.000 0.819 91 A HN 0.800 nan 8.150 nan 0.000 0.442 92 D N -0.127 120.326 120.400 0.088 0.000 2.348 92 D HA 0.460 5.100 4.640 -0.000 0.000 0.249 92 D C -2.446 173.887 176.300 0.056 0.000 1.110 92 D CA -1.515 52.523 54.000 0.063 0.000 0.967 92 D CB -0.049 40.785 40.800 0.057 0.000 1.139 92 D HN 0.004 nan 8.370 nan 0.000 0.466 93 P HA 0.050 nan 4.420 nan 0.000 0.266 93 P C -0.763 176.556 177.300 0.031 0.000 1.193 93 P CA -0.005 63.117 63.100 0.036 0.000 0.770 93 P CB 0.578 32.296 31.700 0.030 0.000 0.836 94 V N 2.458 122.387 119.914 0.025 0.000 2.638 94 V HA 0.141 4.261 4.120 -0.000 0.000 0.306 94 V C -0.208 175.892 176.094 0.009 0.000 1.052 94 V CA -0.790 61.520 62.300 0.015 0.000 0.885 94 V CB 1.900 33.730 31.823 0.012 0.000 0.999 94 V HN 0.565 nan 8.190 nan 0.000 0.424 95 D N 6.845 127.248 120.400 0.004 0.000 2.662 95 D HA -0.023 4.617 4.640 -0.000 0.000 0.237 95 D C -1.614 174.686 176.300 0.000 0.000 1.154 95 D CA -0.734 53.267 54.000 0.002 0.000 0.861 95 D CB 1.659 42.457 40.800 -0.003 0.000 1.146 95 D HN 0.242 nan 8.370 nan 0.000 0.518 96 P HA -0.003 nan 4.420 nan 0.000 0.230 96 P C 0.646 177.945 177.300 -0.002 0.000 1.158 96 P CA 0.809 63.911 63.100 0.004 0.000 0.769 96 P CB 0.266 31.971 31.700 0.008 0.000 0.807 97 A N 0.976 123.793 122.820 -0.004 0.000 1.903 97 A HA -0.123 4.197 4.320 -0.000 0.000 0.213 97 A C 1.987 179.562 177.584 -0.014 0.000 1.185 97 A CA 1.151 53.183 52.037 -0.008 0.000 0.628 97 A CB -1.005 17.991 19.000 -0.006 0.000 0.830 97 A HN 0.295 nan 8.150 nan 0.000 0.446 98 E N -0.446 119.745 120.200 -0.016 0.000 2.512 98 E HA 0.148 4.498 4.350 -0.000 0.000 0.195 98 E C 1.155 177.737 176.600 -0.030 0.000 1.083 98 E CA 0.440 56.826 56.400 -0.024 0.000 0.873 98 E CB -0.140 29.545 29.700 -0.025 0.000 0.897 98 E HN 0.540 nan 8.360 nan 0.000 0.514 99 L N -0.715 120.494 121.223 -0.023 0.000 2.685 99 L HA 0.377 4.717 4.340 -0.000 0.000 0.235 99 L C 2.092 178.948 176.870 -0.025 0.000 1.070 99 L CA 0.617 55.441 54.840 -0.025 0.000 0.888 99 L CB 0.076 42.127 42.059 -0.012 0.000 1.203 99 L HN 0.322 nan 8.230 nan 0.000 0.499 100 A N -0.541 122.268 122.820 -0.019 0.000 2.119 100 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 100 A C 1.505 179.074 177.584 -0.025 0.000 1.153 100 A CA 1.337 53.364 52.037 -0.017 0.000 0.692 100 A CB -0.247 18.747 19.000 -0.011 0.000 0.799 100 A HN 0.283 nan 8.150 nan 0.000 0.458 101 D N -0.559 119.823 120.400 -0.031 0.000 2.347 101 D HA 0.064 4.704 4.640 -0.000 0.000 0.215 101 D C 0.186 176.455 176.300 -0.051 0.000 0.976 101 D CA 0.455 54.432 54.000 -0.038 0.000 0.884 101 D CB 0.114 40.891 40.800 -0.038 0.000 0.915 101 D HN 0.169 nan 8.370 nan 0.000 0.526 102 V N 1.435 121.315 119.914 -0.057 0.000 2.385 102 V HA 0.304 4.424 4.120 -0.000 0.000 0.269 102 V C 1.336 177.383 176.094 -0.079 0.000 1.043 102 V CA -0.310 61.942 62.300 -0.081 0.000 0.906 102 V CB 1.182 32.947 31.823 -0.096 0.000 0.995 102 V HN 0.015 nan 8.190 nan 0.000 0.467 103 A N 5.098 127.863 122.820 -0.091 0.000 1.897 103 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 103 A C 2.220 179.748 177.584 -0.093 0.000 1.181 103 A CA 1.339 53.327 52.037 -0.081 0.000 0.620 103 A CB -0.404 18.546 19.000 -0.083 0.000 0.821 103 A HN 0.811 nan 8.150 nan 0.000 0.443 104 R N -0.004 120.409 120.500 -0.146 0.000 2.139 104 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 104 R C 1.643 177.886 176.300 -0.095 0.000 1.145 104 R CA 1.623 57.607 56.100 -0.193 0.000 0.976 104 R CB -0.311 29.761 30.300 -0.380 0.000 0.866 104 R HN 0.646 nan 8.270 nan 0.000 0.449 105 N N 0.215 118.875 118.700 -0.067 0.000 2.383 105 N HA 0.016 4.755 4.740 -0.000 0.000 0.192 105 N C -0.555 174.951 175.510 -0.008 0.000 1.141 105 N CA 0.045 53.086 53.050 -0.015 0.000 0.851 105 N CB 0.278 38.753 38.487 -0.020 0.000 0.976 105 N HN 0.178 nan 8.380 nan 0.000 0.465 106 A N 2.296 125.105 122.820 -0.019 0.000 2.555 106 A HA 0.152 4.471 4.320 -0.000 0.000 0.233 106 A C -1.985 175.601 177.584 0.003 0.000 1.060 106 A CA -0.702 51.328 52.037 -0.010 0.000 0.759 106 A CB -0.177 18.813 19.000 -0.017 0.000 0.995 106 A HN 0.226 nan 8.150 nan 0.000 0.506 107 P HA 0.262 nan 4.420 nan 0.000 0.271 107 P C -1.118 176.192 177.300 0.017 0.000 1.216 107 P CA 0.007 63.116 63.100 0.015 0.000 0.776 107 P CB 0.549 32.261 31.700 0.020 0.000 0.881 108 L N 3.276 124.510 121.223 0.019 0.000 2.272 108 L HA 0.288 4.627 4.340 -0.000 0.000 0.284 108 L C 1.417 178.309 176.870 0.037 0.000 1.045 108 L CA 0.128 54.981 54.840 0.022 0.000 0.842 108 L CB 0.763 42.832 42.059 0.016 0.000 1.224 108 L HN 0.464 nan 8.230 nan 0.000 0.430 109 T N -1.690 112.890 114.554 0.043 0.000 3.084 109 T HA 0.262 4.612 4.350 -0.000 0.000 0.270 109 T C 0.742 175.483 174.700 0.069 0.000 1.008 109 T CA -0.402 61.734 62.100 0.060 0.000 0.900 109 T CB 0.007 68.908 68.868 0.054 0.000 1.084 109 T HN 0.309 nan 8.240 nan 0.000 0.538 110 R N 3.000 123.535 120.500 0.059 0.000 2.332 110 R HA 0.386 4.726 4.340 -0.000 0.000 0.306 110 R C -2.834 173.509 176.300 0.072 0.000 1.117 110 R CA -1.971 54.164 56.100 0.060 0.000 1.108 110 R CB 0.899 31.223 30.300 0.041 0.000 1.126 110 R HN 0.273 nan 8.270 nan 0.000 0.548 111 P HA 0.004 nan 4.420 nan 0.000 0.268 111 P C -0.705 176.658 177.300 0.105 0.000 1.204 111 P CA -0.095 63.083 63.100 0.131 0.000 0.768 111 P CB 0.769 32.602 31.700 0.221 0.000 0.842 112 R N 4.199 124.768 120.500 0.116 0.000 2.248 112 R HA 0.275 4.615 4.340 -0.000 0.000 0.328 112 R C -2.027 174.375 176.300 0.169 0.000 1.067 112 R CA -1.715 54.463 56.100 0.131 0.000 0.924 112 R CB -0.552 29.821 30.300 0.122 0.000 1.013 112 R HN 0.378 nan 8.270 nan 0.000 0.454 113 P HA -0.124 nan 4.420 nan 0.000 0.261 113 P C 0.766 178.126 177.300 0.099 0.000 1.165 113 P CA 1.240 64.385 63.100 0.075 0.000 0.759 113 P CB 0.608 32.330 31.700 0.037 0.000 0.772 114 G N 1.184 110.012 108.800 0.047 0.000 2.234 114 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.235 114 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.235 114 G C 0.294 175.085 174.900 -0.182 0.000 0.997 114 G CA -0.304 44.765 45.100 -0.051 0.000 0.623 114 G HN 0.626 nan 8.290 nan 0.000 0.514 115 H N -0.450 118.657 119.070 0.062 0.000 2.570 115 H HA 0.620 5.176 4.556 -0.000 0.000 0.342 115 H C 1.521 176.901 175.328 0.086 0.000 1.245 115 H CA 0.028 56.115 56.048 0.066 0.000 1.318 115 H CB 1.588 31.387 29.762 0.062 0.000 1.694 115 H HN 0.237 nan 8.280 nan 0.000 0.592 116 A N 0.861 123.807 122.820 0.209 0.000 2.172 116 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 116 A C 1.452 179.142 177.584 0.177 0.000 1.154 116 A CA 1.092 53.225 52.037 0.161 0.000 0.701 116 A CB -0.307 18.772 19.000 0.131 0.000 0.789 116 A HN 0.617 nan 8.150 nan 0.000 0.465 117 D N -0.822 119.697 120.400 0.199 0.000 2.103 117 D HA -0.237 4.402 4.640 -0.000 0.000 0.190 117 D C 1.645 178.069 176.300 0.206 0.000 0.997 117 D CA 2.024 56.131 54.000 0.178 0.000 0.833 117 D CB -0.645 40.254 40.800 0.165 0.000 0.961 117 D HN 0.659 nan 8.370 nan 0.000 0.447 118 Y N 1.278 121.641 120.300 0.105 0.000 2.133 118 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 118 Y C 2.271 178.230 175.900 0.098 0.000 1.134 118 Y CA 1.961 60.117 58.100 0.093 0.000 1.133 118 Y CB -0.534 37.970 38.460 0.073 0.000 0.987 118 Y HN -0.045 nan 8.280 nan 0.000 0.502 119 A N 0.277 123.078 122.820 -0.031 0.000 1.933 119 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 119 A C 2.421 179.978 177.584 -0.045 0.000 1.175 119 A CA 1.641 53.596 52.037 -0.136 0.000 0.628 119 A CB -1.670 17.364 19.000 0.058 0.000 0.814 119 A HN 0.633 nan 8.150 nan 0.000 0.444 120 G N -0.756 108.098 108.800 0.091 0.000 2.394 120 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 120 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 120 G C 1.630 176.694 174.900 0.273 0.000 1.165 120 G CA 1.048 46.288 45.100 0.233 0.000 0.784 120 G HN 0.456 nan 8.290 nan 0.000 0.535 121 M N 0.069 119.775 119.600 0.177 0.000 2.117 121 M HA 0.072 4.552 4.480 -0.000 0.000 0.262 121 M C 2.492 178.814 176.300 0.037 0.000 1.065 121 M CA 1.151 56.566 55.300 0.192 0.000 1.114 121 M CB -0.325 32.361 32.600 0.144 0.000 1.361 121 M HN 0.116 nan 8.290 nan 0.000 0.408 122 L N -0.351 120.802 121.223 -0.116 0.000 2.072 122 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 122 L C 2.523 179.305 176.870 -0.145 0.000 1.079 122 L CA 1.208 55.949 54.840 -0.166 0.000 0.752 122 L CB -0.978 40.901 42.059 -0.300 0.000 0.906 122 L HN 0.354 nan 8.230 nan 0.000 0.436 123 K N 0.523 120.844 120.400 -0.131 0.000 2.020 123 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 123 K C 1.841 178.224 176.600 -0.360 0.000 1.050 123 K CA 1.999 58.158 56.287 -0.213 0.000 0.929 123 K CB -0.231 32.169 32.500 -0.166 0.000 0.714 123 K HN 0.197 nan 8.250 nan 0.000 0.443 124 Y N -0.271 119.858 120.300 -0.285 0.000 2.466 124 Y HA 0.206 4.756 4.550 -0.000 0.000 0.272 124 Y C 1.143 176.644 175.900 -0.665 0.000 1.169 124 Y CA 0.433 58.191 58.100 -0.571 0.000 1.285 124 Y CB 0.737 38.612 38.460 -0.975 0.000 1.078 124 Y HN 0.411 nan 8.280 nan 0.000 0.523 125 G N 0.499 109.141 108.800 -0.264 0.000 2.249 125 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.273 125 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.273 125 G C -0.062 174.788 174.900 -0.084 0.000 1.036 125 G CA -0.162 44.842 45.100 -0.160 0.000 0.824 125 G HN 0.358 nan 8.290 nan 0.000 0.504 126 F N -0.136 119.857 119.950 0.072 0.000 2.399 126 F HA 0.315 4.842 4.527 -0.000 0.000 0.342 126 F C 1.253 177.076 175.800 0.039 0.000 1.106 126 F CA -0.813 57.220 58.000 0.054 0.000 1.196 126 F CB 0.968 39.997 39.000 0.049 0.000 1.163 126 F HN -0.020 nan 8.300 nan 0.000 0.547 127 D N 0.657 121.204 120.400 0.246 0.000 2.349 127 D HA -0.004 4.636 4.640 -0.000 0.000 0.214 127 D C -0.336 176.033 176.300 0.115 0.000 1.063 127 D CA 0.714 54.800 54.000 0.143 0.000 0.847 127 D CB 0.154 41.016 40.800 0.103 0.000 0.933 127 D HN 0.417 nan 8.370 nan 0.000 0.513 128 D N -0.750 119.717 120.400 0.112 0.000 2.738 128 D HA 0.387 5.026 4.640 -0.000 0.000 0.237 128 D C 0.214 176.516 176.300 0.003 0.000 1.123 128 D CA -0.835 53.187 54.000 0.036 0.000 0.856 128 D CB 1.873 42.669 40.800 -0.007 0.000 1.552 128 D HN -0.160 nan 8.370 nan 0.000 0.480 129 A N 3.341 126.164 122.820 0.006 0.000 2.169 129 A HA 0.028 4.348 4.320 -0.000 0.000 0.212 129 A C 1.895 179.430 177.584 -0.082 0.000 1.153 129 A CA 0.913 52.949 52.037 -0.003 0.000 0.756 129 A CB -0.268 18.755 19.000 0.039 0.000 0.813 129 A HN 0.527 nan 8.150 nan 0.000 0.471 130 R N 1.344 121.783 120.500 -0.101 0.000 2.097 130 R HA -0.124 4.216 4.340 -0.000 0.000 0.236 130 R C -0.831 175.346 176.300 -0.205 0.000 1.135 130 R CA 2.680 58.718 56.100 -0.104 0.000 0.934 130 R CB -1.562 28.703 30.300 -0.058 0.000 0.846 130 R HN 0.413 nan 8.270 nan 0.000 0.431 131 P HA -0.171 nan 4.420 nan 0.000 0.216 131 P C 1.580 178.641 177.300 -0.399 0.000 1.150 131 P CA 1.560 64.334 63.100 -0.543 0.000 0.837 131 P CB -0.339 30.608 31.700 -1.256 0.000 0.786 132 V N 1.622 121.346 119.914 -0.317 0.000 2.270 132 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 132 V C 2.401 178.454 176.094 -0.068 0.000 1.043 132 V CA 1.960 64.199 62.300 -0.102 0.000 1.014 132 V CB -1.528 30.332 31.823 0.063 0.000 0.645 132 V HN 0.033 nan 8.190 nan 0.000 0.447 133 L N -0.873 120.313 121.223 -0.061 0.000 2.201 133 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 133 L C 2.451 179.268 176.870 -0.089 0.000 1.105 133 L CA 2.168 56.981 54.840 -0.044 0.000 0.775 133 L CB -1.578 40.456 42.059 -0.042 0.000 0.913 133 L HN 0.338 nan 8.230 nan 0.000 0.440 134 E N 0.767 120.894 120.200 -0.122 0.000 2.058 134 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 134 E C 2.318 178.829 176.600 -0.149 0.000 0.997 134 E CA 1.033 57.334 56.400 -0.165 0.000 0.801 134 E CB -0.241 29.367 29.700 -0.153 0.000 0.746 134 E HN 0.470 nan 8.360 nan 0.000 0.450 135 R N 0.204 120.634 120.500 -0.117 0.000 2.075 135 R HA 0.089 4.429 4.340 -0.000 0.000 0.226 135 R C 2.087 178.355 176.300 -0.053 0.000 1.114 135 R CA 1.021 57.069 56.100 -0.086 0.000 0.972 135 R CB -0.308 29.944 30.300 -0.080 0.000 0.869 135 R HN 0.114 nan 8.270 nan 0.000 0.437 136 A N 0.694 123.495 122.820 -0.032 0.000 2.015 136 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 136 A C 1.305 178.902 177.584 0.022 0.000 1.163 136 A CA 0.880 52.926 52.037 0.015 0.000 0.646 136 A CB -0.382 18.650 19.000 0.053 0.000 0.806 136 A HN 0.376 nan 8.150 nan 0.000 0.448 137 S N -0.559 115.133 115.700 -0.014 0.000 2.566 137 S HA 0.302 4.772 4.470 -0.000 0.000 0.280 137 S C 1.128 175.722 174.600 -0.012 0.000 1.343 137 S CA 0.096 58.289 58.200 -0.012 0.000 1.036 137 S CB 0.897 64.043 63.200 -0.089 0.000 0.866 137 S HN 1.000 nan 8.310 nan 0.000 0.526 138 A N 3.446 126.274 122.820 0.014 0.000 2.239 138 A HA 0.072 4.391 4.320 -0.000 0.000 0.209 138 A C 1.970 179.548 177.584 -0.009 0.000 1.171 138 A CA 1.080 53.125 52.037 0.013 0.000 0.768 138 A CB -0.594 18.426 19.000 0.034 0.000 0.790 138 A HN 0.920 nan 8.150 nan 0.000 0.478 139 R N 0.924 121.399 120.500 -0.042 0.000 2.152 139 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 139 R C 1.835 178.109 176.300 -0.043 0.000 1.117 139 R CA 1.787 57.853 56.100 -0.056 0.000 0.981 139 R CB -0.450 29.774 30.300 -0.127 0.000 0.870 139 R HN 0.523 nan 8.270 nan 0.000 0.451 140 E N 0.153 120.328 120.200 -0.042 0.000 2.209 140 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 140 E C 1.115 177.713 176.600 -0.003 0.000 0.993 140 E CA 1.835 58.221 56.400 -0.024 0.000 0.819 140 E CB -0.174 29.517 29.700 -0.016 0.000 0.745 140 E HN 0.588 nan 8.360 nan 0.000 0.477 141 T N -2.398 112.157 114.554 0.001 0.000 3.098 141 T HA 0.148 4.498 4.350 -0.000 0.000 0.266 141 T C 1.822 176.524 174.700 0.002 0.000 1.145 141 T CA 0.915 63.019 62.100 0.006 0.000 1.092 141 T CB -0.059 68.812 68.868 0.006 0.000 0.908 141 T HN 0.192 nan 8.240 nan 0.000 0.526 142 A N 1.543 124.365 122.820 0.005 0.000 1.897 142 A HA 0.436 4.756 4.320 -0.000 0.000 0.215 142 A C 2.815 180.407 177.584 0.014 0.000 1.181 142 A CA 1.416 53.462 52.037 0.016 0.000 0.620 142 A CB -1.326 17.692 19.000 0.030 0.000 0.821 142 A HN 0.718 nan 8.150 nan 0.000 0.443 143 A N -0.016 122.808 122.820 0.008 0.000 1.902 143 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 143 A C 2.188 179.780 177.584 0.013 0.000 1.181 143 A CA 1.674 53.718 52.037 0.011 0.000 0.623 143 A CB -0.486 18.520 19.000 0.010 0.000 0.818 143 A HN 0.519 nan 8.150 nan 0.000 0.443 144 R N -0.787 119.720 120.500 0.012 0.000 2.113 144 R HA -0.150 4.190 4.340 -0.000 0.000 0.244 144 R C 1.981 178.249 176.300 -0.052 0.000 1.142 144 R CA 1.827 57.920 56.100 -0.012 0.000 0.953 144 R CB -0.662 29.632 30.300 -0.009 0.000 0.860 144 R HN 0.382 nan 8.270 nan 0.000 0.438 145 V N 0.465 120.361 119.914 -0.032 0.000 2.453 145 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 145 V C 2.295 178.374 176.094 -0.025 0.000 1.048 145 V CA 1.737 64.016 62.300 -0.036 0.000 1.049 145 V CB -0.584 31.228 31.823 -0.019 0.000 0.672 145 V HN 0.456 nan 8.190 nan 0.000 0.457 146 A N 0.302 123.119 122.820 -0.005 0.000 1.877 146 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 146 A C 2.456 180.034 177.584 -0.011 0.000 1.186 146 A CA 2.184 54.224 52.037 0.005 0.000 0.620 146 A CB -0.877 18.132 19.000 0.014 0.000 0.822 146 A HN 0.557 nan 8.150 nan 0.000 0.443 147 A N -0.548 122.260 122.820 -0.020 0.000 1.908 147 A HA 0.089 4.408 4.320 -0.000 0.000 0.218 147 A C 2.408 179.933 177.584 -0.099 0.000 1.181 147 A CA 1.963 53.978 52.037 -0.036 0.000 0.627 147 A CB -1.444 17.555 19.000 -0.003 0.000 0.818 147 A HN 0.846 nan 8.150 nan 0.000 0.445 148 G N -1.314 107.402 108.800 -0.141 0.000 2.470 148 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.220 148 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.220 148 G C 1.430 176.281 174.900 -0.081 0.000 1.121 148 G CA 1.561 46.563 45.100 -0.163 0.000 0.766 148 G HN 0.454 nan 8.290 nan 0.000 0.553 149 T N 0.758 115.286 114.554 -0.044 0.000 2.821 149 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 149 T C 2.548 177.253 174.700 0.008 0.000 1.046 149 T CA 1.084 63.178 62.100 -0.011 0.000 1.139 149 T CB -0.120 68.749 68.868 0.002 0.000 0.871 149 T HN 0.104 nan 8.240 nan 0.000 0.454 150 V N 1.745 121.660 119.914 0.002 0.000 2.358 150 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 150 V C 2.911 179.042 176.094 0.063 0.000 1.047 150 V CA 1.625 63.941 62.300 0.027 0.000 1.035 150 V CB -1.217 30.614 31.823 0.012 0.000 0.658 150 V HN 0.520 nan 8.190 nan 0.000 0.452 151 A N 0.676 123.506 122.820 0.017 0.000 1.902 151 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 151 A C 2.362 180.013 177.584 0.112 0.000 1.181 151 A CA 1.890 53.954 52.037 0.044 0.000 0.623 151 A CB -0.456 18.489 19.000 -0.092 0.000 0.818 151 A HN 0.584 nan 8.150 nan 0.000 0.443 152 R N -0.101 120.426 120.500 0.046 0.000 2.083 152 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 152 R C 2.464 178.799 176.300 0.058 0.000 1.137 152 R CA 1.353 57.477 56.100 0.041 0.000 0.951 152 R CB -0.705 29.602 30.300 0.012 0.000 0.851 152 R HN 0.449 nan 8.270 nan 0.000 0.434 153 A N 1.584 124.448 122.820 0.074 0.000 1.883 153 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 153 A C 2.077 179.713 177.584 0.088 0.000 1.186 153 A CA 1.449 53.533 52.037 0.078 0.000 0.624 153 A CB -0.730 18.323 19.000 0.089 0.000 0.822 153 A HN 0.414 nan 8.150 nan 0.000 0.444 154 F N 0.096 120.055 119.950 0.015 0.000 2.095 154 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 154 F C 1.811 177.622 175.800 0.019 0.000 1.104 154 F CA 1.610 59.622 58.000 0.021 0.000 1.232 154 F CB -0.260 38.754 39.000 0.024 0.000 0.987 154 F HN 0.147 nan 8.300 nan 0.000 0.475 155 L N 0.773 121.963 121.223 -0.055 0.000 2.046 155 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 155 L C 2.643 179.404 176.870 -0.183 0.000 1.077 155 L CA 1.756 56.514 54.840 -0.136 0.000 0.747 155 L CB -1.386 40.701 42.059 0.047 0.000 0.896 155 L HN 0.195 nan 8.230 nan 0.000 0.432 156 R N -0.822 119.615 120.500 -0.104 0.000 2.062 156 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 156 R C 2.241 178.467 176.300 -0.124 0.000 1.136 156 R CA 1.544 57.593 56.100 -0.085 0.000 0.948 156 R CB -0.062 30.216 30.300 -0.037 0.000 0.845 156 R HN 0.432 nan 8.270 nan 0.000 0.430 157 Q N -0.888 118.828 119.800 -0.140 0.000 2.172 157 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 157 Q C 1.900 177.765 176.000 -0.224 0.000 0.964 157 Q CA 1.423 57.144 55.803 -0.137 0.000 0.855 157 Q CB 0.148 28.845 28.738 -0.069 0.000 0.918 157 Q HN 0.429 nan 8.270 nan 0.000 0.444 158 A N -0.084 122.481 122.820 -0.425 0.000 1.911 158 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 158 A C 1.651 179.027 177.584 -0.347 0.000 1.189 158 A CA 0.713 52.459 52.037 -0.487 0.000 0.639 158 A CB 0.135 18.522 19.000 -1.022 0.000 0.839 158 A HN 0.270 nan 8.150 nan 0.000 0.449 159 L N -1.819 119.220 121.223 -0.306 0.000 2.817 159 L HA 0.314 4.654 4.340 -0.000 0.000 0.248 159 L C 1.393 178.193 176.870 -0.115 0.000 1.133 159 L CA 0.433 55.161 54.840 -0.187 0.000 0.935 159 L CB 0.507 42.490 42.059 -0.127 0.000 1.266 159 L HN 0.500 nan 8.230 nan 0.000 0.535 160 G N 1.308 110.039 108.800 -0.115 0.000 2.225 160 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 160 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 160 G C 0.140 175.009 174.900 -0.051 0.000 1.024 160 G CA 0.290 45.347 45.100 -0.072 0.000 0.784 160 G HN 0.125 nan 8.290 nan 0.000 0.507 161 V N 0.513 120.394 119.914 -0.054 0.000 2.607 161 V HA 0.544 4.664 4.120 -0.000 0.000 0.289 161 V C 0.210 176.292 176.094 -0.020 0.000 1.053 161 V CA -0.486 61.799 62.300 -0.024 0.000 0.996 161 V CB 1.730 33.549 31.823 -0.006 0.000 0.995 161 V HN 0.333 nan 8.190 nan 0.000 0.476 162 E N 2.916 123.108 120.200 -0.012 0.000 2.222 162 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 162 E C -1.373 175.224 176.600 -0.006 0.000 0.884 162 E CA -0.558 55.835 56.400 -0.012 0.000 0.764 162 E CB 2.590 32.279 29.700 -0.019 0.000 1.169 162 E HN 0.353 nan 8.360 nan 0.000 0.413 163 V N 4.119 124.030 119.914 -0.005 0.000 2.448 163 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 163 V C 0.084 176.175 176.094 -0.005 0.000 1.025 163 V CA -0.640 61.659 62.300 -0.001 0.000 0.859 163 V CB 1.206 33.028 31.823 -0.002 0.000 0.988 163 V HN 0.520 nan 8.190 nan 0.000 0.431 164 L N 2.996 124.219 121.223 0.000 0.000 2.301 164 L HA 1.092 5.432 4.340 -0.000 0.000 0.249 164 L C -0.300 176.591 176.870 0.034 0.000 1.069 164 L CA -0.565 54.276 54.840 0.001 0.000 0.865 164 L CB 2.377 44.421 42.059 -0.025 0.000 1.467 164 L HN 0.632 nan 8.230 nan 0.000 0.419 165 S N -1.655 114.078 115.700 0.054 0.000 2.651 165 S HA 0.863 5.333 4.470 -0.000 0.000 0.279 165 S C -1.168 173.539 174.600 0.178 0.000 1.148 165 S CA -0.493 57.769 58.200 0.103 0.000 0.837 165 S CB 1.612 64.834 63.200 0.037 0.000 1.138 165 S HN 1.245 nan 8.310 nan 0.000 0.478 166 H N -2.393 116.683 119.070 0.010 0.000 3.064 166 H HA 0.720 5.276 4.556 -0.000 0.000 0.352 166 H C -1.727 173.631 175.328 0.051 0.000 1.260 166 H CA -1.328 54.736 56.048 0.027 0.000 1.160 166 H CB 0.762 30.545 29.762 0.035 0.000 1.879 166 H HN 0.522 nan 8.280 nan 0.000 0.544 167 V N 3.491 123.386 119.914 -0.030 0.000 2.465 167 V HA 0.071 4.191 4.120 -0.000 0.000 0.279 167 V C 1.486 177.549 176.094 -0.052 0.000 1.045 167 V CA -0.388 61.872 62.300 -0.067 0.000 0.938 167 V CB 0.970 32.786 31.823 -0.012 0.000 0.986 167 V HN 0.847 nan 8.190 nan 0.000 0.467 168 I N 1.597 122.129 120.570 -0.064 0.000 3.081 168 I HA 0.261 4.431 4.170 -0.000 0.000 0.274 168 I C 0.774 176.929 176.117 0.064 0.000 1.178 168 I CA 0.448 61.777 61.300 0.049 0.000 1.460 168 I CB 0.290 38.314 38.000 0.039 0.000 1.137 168 I HN 0.669 nan 8.210 nan 0.000 0.443 169 S N 0.671 116.380 115.700 0.015 0.000 2.550 169 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 169 S C -1.097 173.496 174.600 -0.012 0.000 1.145 169 S CA -0.698 57.508 58.200 0.010 0.000 0.852 169 S CB 2.611 65.817 63.200 0.009 0.000 1.119 169 S HN 0.168 nan 8.310 nan 0.000 0.465 170 I N 1.939 122.497 120.570 -0.020 0.000 2.533 170 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 170 I C 0.938 177.032 176.117 -0.038 0.000 1.056 170 I CA 0.245 61.524 61.300 -0.035 0.000 1.057 170 I CB 1.613 39.582 38.000 -0.052 0.000 1.240 170 I HN 1.307 nan 8.210 nan 0.000 0.423 171 G N 4.396 113.173 108.800 -0.037 0.000 2.594 171 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.297 171 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.297 171 G C 0.606 175.488 174.900 -0.029 0.000 1.273 171 G CA 0.324 45.403 45.100 -0.036 0.000 0.974 171 G HN 1.064 nan 8.290 nan 0.000 0.552 172 A N 0.067 122.871 122.820 -0.027 0.000 2.411 172 A HA 0.626 4.946 4.320 -0.000 0.000 0.251 172 A C 1.498 179.073 177.584 -0.015 0.000 1.317 172 A CA 1.536 53.561 52.037 -0.020 0.000 0.904 172 A CB -0.919 18.070 19.000 -0.019 0.000 0.993 172 A HN 2.333 nan 8.150 nan 0.000 0.504 173 S N 0.111 115.802 115.700 -0.015 0.000 2.580 173 S HA 0.445 4.915 4.470 -0.000 0.000 0.266 173 S C 0.402 175.006 174.600 0.006 0.000 1.354 173 S CA 0.052 58.248 58.200 -0.006 0.000 1.008 173 S CB 0.733 63.928 63.200 -0.007 0.000 0.898 173 S HN 1.212 nan 8.310 nan 0.000 0.555 174 A N 3.078 125.908 122.820 0.017 0.000 2.309 174 A HA 0.604 4.923 4.320 -0.000 0.000 0.290 174 A C -2.308 175.304 177.584 0.048 0.000 1.206 174 A CA -1.755 50.297 52.037 0.025 0.000 0.850 174 A CB -0.589 18.426 19.000 0.025 0.000 1.118 174 A HN 0.745 nan 8.150 nan 0.000 0.523 175 P HA 0.019 nan 4.420 nan 0.000 0.266 175 P C -0.520 176.851 177.300 0.119 0.000 1.195 175 P CA 0.374 63.515 63.100 0.068 0.000 0.768 175 P CB 0.149 31.869 31.700 0.032 0.000 0.838 176 Y N 2.728 123.051 120.300 0.038 0.000 2.336 176 Y HA 0.149 4.699 4.550 -0.000 0.000 0.331 176 Y C 0.481 176.432 175.900 0.085 0.000 1.211 176 Y CA -0.105 58.035 58.100 0.067 0.000 1.346 176 Y CB 0.819 39.347 38.460 0.113 0.000 1.271 176 Y HN 0.361 nan 8.280 nan 0.000 0.538 177 E N 4.071 123.700 120.200 -0.952 0.000 2.191 177 E HA 0.538 4.888 4.350 -0.000 0.000 0.263 177 E C -0.850 175.214 176.600 -0.893 0.000 0.881 177 E CA -0.734 55.176 56.400 -0.816 0.000 0.757 177 E CB 1.601 31.098 29.700 -0.338 0.000 1.147 177 E HN 0.986 nan 8.360 nan 0.000 0.414 178 G N 4.093 112.644 108.800 -0.415 0.000 3.071 178 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.620 178 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.620 178 G C -3.054 172.024 174.900 0.297 0.000 1.204 178 G CA -1.023 44.077 45.100 -0.000 0.000 1.200 178 G HN 0.389 nan 8.290 nan 0.000 0.530 179 P HA 0.525 nan 4.420 nan 0.000 0.281 179 P C -2.496 174.671 177.300 -0.222 0.000 1.249 179 P CA -1.655 61.453 63.100 0.013 0.000 0.810 179 P CB 1.230 32.946 31.700 0.026 0.000 1.008 180 P HA 0.374 nan 4.420 nan 0.000 0.277 180 P C -2.673 174.387 177.300 -0.399 0.000 1.240 180 P CA -1.694 60.827 63.100 -0.966 0.000 0.798 180 P CB -0.448 30.461 31.700 -1.319 0.000 0.979 181 P HA 0.250 nan 4.420 nan 0.000 0.282 181 P C 1.032 178.249 177.300 -0.138 0.000 1.287 181 P CA -0.507 62.507 63.100 -0.143 0.000 0.792 181 P CB 0.484 32.139 31.700 -0.074 0.000 1.163 182 R N 0.458 120.909 120.500 -0.081 0.000 2.189 182 R HA 0.006 4.346 4.340 -0.000 0.000 0.218 182 R C 1.465 177.735 176.300 -0.051 0.000 1.074 182 R CA 1.880 57.942 56.100 -0.063 0.000 0.991 182 R CB -2.096 28.180 30.300 -0.040 0.000 0.883 182 R HN 0.393 nan 8.270 nan 0.000 0.457 183 A N 2.224 125.018 122.820 -0.043 0.000 2.019 183 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 183 A C 1.645 179.219 177.584 -0.017 0.000 1.164 183 A CA 1.327 53.350 52.037 -0.022 0.000 0.644 183 A CB -0.180 18.815 19.000 -0.009 0.000 0.805 183 A HN 0.455 nan 8.150 nan 0.000 0.449 184 E N 0.005 120.180 120.200 -0.043 0.000 2.502 184 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 184 E C 0.813 177.395 176.600 -0.029 0.000 1.062 184 E CA 0.741 57.129 56.400 -0.021 0.000 0.867 184 E CB -0.332 29.323 29.700 -0.075 0.000 0.888 184 E HN 0.609 nan 8.360 nan 0.000 0.510 185 D N 1.174 121.547 120.400 -0.045 0.000 2.144 185 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 185 D C 1.677 177.974 176.300 -0.006 0.000 0.984 185 D CA 0.664 54.645 54.000 -0.032 0.000 0.834 185 D CB 0.130 40.910 40.800 -0.032 0.000 0.955 185 D HN 0.030 nan 8.370 nan 0.000 0.465 186 L N 0.754 121.976 121.223 -0.002 0.000 1.997 186 L HA -0.123 4.217 4.340 -0.000 0.000 0.216 186 L C -0.485 176.393 176.870 0.014 0.000 1.074 186 L CA 1.837 56.680 54.840 0.005 0.000 0.763 186 L CB -2.376 39.686 42.059 0.005 0.000 0.890 186 L HN 0.175 nan 8.230 nan 0.000 0.434 187 P HA -0.076 nan 4.420 nan 0.000 0.217 187 P C 1.603 178.929 177.300 0.043 0.000 1.151 187 P CA 1.756 64.876 63.100 0.034 0.000 0.828 187 P CB -0.048 31.683 31.700 0.052 0.000 0.788 188 A N -0.880 121.971 122.820 0.053 0.000 1.898 188 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 188 A C 1.236 178.844 177.584 0.039 0.000 1.181 188 A CA 0.887 52.962 52.037 0.063 0.000 0.620 188 A CB -1.251 17.785 19.000 0.060 0.000 0.819 188 A HN 0.079 nan 8.150 nan 0.000 0.442 189 I N 0.616 121.199 120.570 0.022 0.000 2.638 189 I HA 0.092 4.262 4.170 -0.000 0.000 0.286 189 I C 1.078 177.200 176.117 0.008 0.000 1.088 189 I CA -0.810 60.495 61.300 0.010 0.000 1.397 189 I CB 0.323 38.322 38.000 -0.002 0.000 1.414 189 I HN 0.272 nan 8.210 nan 0.000 0.566 190 D N 4.888 125.290 120.400 0.002 0.000 2.984 190 D HA -0.394 4.246 4.640 -0.000 0.000 0.266 190 D C 1.876 178.184 176.300 0.014 0.000 1.083 190 D CA 2.705 56.711 54.000 0.010 0.000 0.985 190 D CB -0.342 40.459 40.800 0.003 0.000 1.137 190 D HN 0.745 nan 8.370 nan 0.000 0.495 191 A N -0.408 122.417 122.820 0.008 0.000 1.464 191 A HA -0.392 3.928 4.320 -0.000 0.000 0.368 191 A C 1.362 178.956 177.584 0.016 0.000 4.991 191 A CA 2.993 55.036 52.037 0.010 0.000 1.018 191 A CB -1.720 17.288 19.000 0.013 0.000 0.583 191 A HN 0.508 nan 8.150 nan 0.000 0.501 192 S N 1.024 116.738 115.700 0.024 0.000 2.498 192 S HA 0.363 4.833 4.470 -0.000 0.000 0.281 192 S C -1.107 173.522 174.600 0.048 0.000 1.265 192 S CA -0.563 57.657 58.200 0.034 0.000 1.071 192 S CB 0.705 63.927 63.200 0.036 0.000 0.894 192 S HN 0.281 nan 8.310 nan 0.000 0.491 193 P HA -0.076 nan 4.420 nan 0.000 0.219 193 P C 0.764 178.142 177.300 0.130 0.000 1.146 193 P CA 0.892 64.064 63.100 0.120 0.000 0.808 193 P CB -0.012 31.807 31.700 0.199 0.000 0.779 194 V N -5.676 114.288 119.914 0.083 0.000 3.176 194 V HA 0.361 4.481 4.120 -0.000 0.000 0.332 194 V C 0.428 176.545 176.094 0.039 0.000 1.414 194 V CA -0.598 61.731 62.300 0.049 0.000 1.133 194 V CB -0.872 30.959 31.823 0.014 0.000 1.088 194 V HN -0.059 nan 8.190 nan 0.000 0.473 195 R N 0.446 120.974 120.500 0.046 0.000 3.301 195 R HA -0.180 4.160 4.340 -0.000 0.000 0.249 195 R C 0.484 176.828 176.300 0.073 0.000 0.964 195 R CA 0.848 56.978 56.100 0.051 0.000 0.653 195 R CB -1.697 28.627 30.300 0.040 0.000 1.043 195 R HN 0.948 nan 8.270 nan 0.000 0.454 196 A N 0.024 122.880 122.820 0.061 0.000 2.310 196 A HA 0.307 4.627 4.320 -0.000 0.000 0.299 196 A C 0.588 178.223 177.584 0.085 0.000 1.147 196 A CA -0.478 51.594 52.037 0.058 0.000 0.818 196 A CB 0.509 19.509 19.000 -0.001 0.000 1.096 196 A HN 0.471 nan 8.150 nan 0.000 0.495 197 Y N 1.205 121.446 120.300 -0.098 0.000 2.337 197 Y HA 0.004 4.554 4.550 -0.000 0.000 0.293 197 Y C 0.549 176.264 175.900 -0.308 0.000 1.123 197 Y CA 0.887 58.860 58.100 -0.212 0.000 1.201 197 Y CB 0.298 38.566 38.460 -0.319 0.000 1.011 197 Y HN 0.734 nan 8.280 nan 0.000 0.545 198 D N 0.479 120.558 120.400 -0.535 0.000 2.193 198 D HA 0.093 4.733 4.640 -0.000 0.000 0.244 198 D C 0.597 176.738 176.300 -0.266 0.000 1.064 198 D CA -0.442 53.208 54.000 -0.583 0.000 0.845 198 D CB 1.120 41.431 40.800 -0.814 0.000 1.148 198 D HN 0.076 nan 8.370 nan 0.000 0.464 199 K N 2.860 123.141 120.400 -0.197 0.000 2.097 199 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 199 K C 1.604 178.165 176.600 -0.065 0.000 1.049 199 K CA 1.081 57.306 56.287 -0.103 0.000 0.933 199 K CB -0.545 31.908 32.500 -0.080 0.000 0.717 199 K HN 0.360 nan 8.250 nan 0.000 0.442 200 A N 2.013 124.800 122.820 -0.056 0.000 1.897 200 A HA 0.094 4.414 4.320 -0.000 0.000 0.215 200 A C 2.555 180.137 177.584 -0.004 0.000 1.181 200 A CA 1.663 53.689 52.037 -0.017 0.000 0.620 200 A CB -0.640 18.362 19.000 0.004 0.000 0.821 200 A HN 0.391 nan 8.150 nan 0.000 0.443 201 A N -0.096 122.722 122.820 -0.003 0.000 1.933 201 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 201 A C 2.010 179.591 177.584 -0.006 0.000 1.175 201 A CA 1.828 53.877 52.037 0.019 0.000 0.628 201 A CB -0.563 18.470 19.000 0.057 0.000 0.814 201 A HN 0.702 nan 8.150 nan 0.000 0.444 202 E N 0.110 120.292 120.200 -0.030 0.000 2.038 202 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 202 E C 2.138 178.734 176.600 -0.006 0.000 1.000 202 E CA 1.382 57.772 56.400 -0.017 0.000 0.803 202 E CB -0.340 29.347 29.700 -0.022 0.000 0.750 202 E HN 0.509 nan 8.360 nan 0.000 0.448 203 A N 1.138 123.954 122.820 -0.006 0.000 1.908 203 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 203 A C 2.063 179.644 177.584 -0.004 0.000 1.181 203 A CA 2.035 54.073 52.037 0.000 0.000 0.627 203 A CB -0.799 18.201 19.000 -0.000 0.000 0.818 203 A HN 0.460 nan 8.150 nan 0.000 0.445 204 D N -0.769 119.628 120.400 -0.005 0.000 2.144 204 D HA -0.099 4.540 4.640 -0.000 0.000 0.200 204 D C 1.983 178.271 176.300 -0.021 0.000 0.978 204 D CA 1.405 55.401 54.000 -0.007 0.000 0.833 204 D CB -0.212 40.590 40.800 0.005 0.000 0.961 204 D HN 0.493 nan 8.370 nan 0.000 0.470 205 M N -0.517 119.068 119.600 -0.025 0.000 2.193 205 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 205 M C 2.362 178.605 176.300 -0.096 0.000 1.071 205 M CA 0.651 55.921 55.300 -0.049 0.000 1.140 205 M CB -0.022 32.556 32.600 -0.036 0.000 1.369 205 M HN 0.007 nan 8.290 nan 0.000 0.423 206 I N 0.535 121.060 120.570 -0.076 0.000 2.151 206 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 206 I C 2.715 178.764 176.117 -0.113 0.000 1.080 206 I CA 1.512 62.749 61.300 -0.106 0.000 1.339 206 I CB -0.572 37.444 38.000 0.026 0.000 1.039 206 I HN 0.277 nan 8.210 nan 0.000 0.409 207 A N -0.128 122.660 122.820 -0.053 0.000 1.940 207 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 207 A C 2.271 179.816 177.584 -0.064 0.000 1.176 207 A CA 1.449 53.462 52.037 -0.040 0.000 0.631 207 A CB -0.494 18.495 19.000 -0.019 0.000 0.814 207 A HN 0.428 nan 8.150 nan 0.000 0.446 208 Q N -0.425 119.329 119.800 -0.077 0.000 2.084 208 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 208 Q C 2.156 178.084 176.000 -0.121 0.000 0.978 208 Q CA 1.510 57.265 55.803 -0.081 0.000 0.844 208 Q CB -0.387 28.308 28.738 -0.071 0.000 0.898 208 Q HN 0.788 nan 8.270 nan 0.000 0.426 209 I N 1.245 121.690 120.570 -0.209 0.000 2.202 209 I HA -0.258 3.911 4.170 -0.000 0.000 0.242 209 I C 2.247 178.230 176.117 -0.223 0.000 1.091 209 I CA 1.029 62.146 61.300 -0.304 0.000 1.368 209 I CB -0.337 37.270 38.000 -0.656 0.000 1.058 209 I HN 0.175 nan 8.210 nan 0.000 0.410 210 E N 1.270 121.361 120.200 -0.181 0.000 2.114 210 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 210 E C 2.277 178.866 176.600 -0.019 0.000 1.008 210 E CA 1.752 58.136 56.400 -0.027 0.000 0.810 210 E CB -0.460 29.254 29.700 0.024 0.000 0.739 210 E HN 0.581 nan 8.360 nan 0.000 0.456 211 A N 1.441 124.238 122.820 -0.038 0.000 1.968 211 A HA 0.102 4.421 4.320 -0.000 0.000 0.217 211 A C 2.411 179.980 177.584 -0.025 0.000 1.169 211 A CA 1.542 53.565 52.037 -0.024 0.000 0.638 211 A CB -0.336 18.649 19.000 -0.025 0.000 0.812 211 A HN 0.282 nan 8.150 nan 0.000 0.446 212 A N -0.324 122.472 122.820 -0.040 0.000 1.930 212 A HA -0.021 4.298 4.320 -0.000 0.000 0.215 212 A C 2.060 179.631 177.584 -0.023 0.000 1.176 212 A CA 1.669 53.685 52.037 -0.034 0.000 0.632 212 A CB -0.361 18.611 19.000 -0.046 0.000 0.819 212 A HN 0.494 nan 8.150 nan 0.000 0.445 213 K N 0.216 120.605 120.400 -0.018 0.000 1.978 213 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 213 K C 2.200 178.807 176.600 0.011 0.000 1.049 213 K CA 2.081 58.374 56.287 0.011 0.000 0.939 213 K CB -0.242 32.288 32.500 0.050 0.000 0.721 213 K HN 0.423 nan 8.250 nan 0.000 0.441 214 K N 0.531 120.939 120.400 0.013 0.000 2.077 214 K HA -0.224 4.096 4.320 -0.000 0.000 0.213 214 K C 0.985 177.586 176.600 0.001 0.000 1.051 214 K CA 2.410 58.703 56.287 0.009 0.000 0.929 214 K CB -0.165 32.341 32.500 0.010 0.000 0.715 214 K HN 0.163 nan 8.250 nan 0.000 0.451 215 D N -0.549 119.848 120.400 -0.006 0.000 2.363 215 D HA 0.069 4.709 4.640 -0.000 0.000 0.226 215 D C 0.671 176.963 176.300 -0.013 0.000 1.020 215 D CA 1.045 55.040 54.000 -0.009 0.000 0.892 215 D CB 0.164 40.957 40.800 -0.012 0.000 0.900 215 D HN 0.560 nan 8.370 nan 0.000 0.531 216 G N 1.008 109.799 108.800 -0.014 0.000 2.249 216 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.273 216 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.273 216 G C -0.024 174.855 174.900 -0.034 0.000 1.036 216 G CA 0.356 45.440 45.100 -0.026 0.000 0.824 216 G HN 0.318 nan 8.290 nan 0.000 0.504 217 D N -0.740 119.644 120.400 -0.027 0.000 2.525 217 D HA 0.793 5.433 4.640 -0.000 0.000 0.249 217 D C 0.748 177.033 176.300 -0.025 0.000 1.072 217 D CA 0.628 54.612 54.000 -0.026 0.000 1.067 217 D CB 1.798 42.586 40.800 -0.021 0.000 1.282 217 D HN 0.389 nan 8.370 nan 0.000 0.587 218 T N -1.517 113.026 114.554 -0.019 0.000 2.906 218 T HA 0.747 5.097 4.350 -0.000 0.000 0.295 218 T C -0.379 174.310 174.700 -0.017 0.000 1.075 218 T CA -0.796 61.297 62.100 -0.013 0.000 1.005 218 T CB 1.173 70.043 68.868 0.003 0.000 1.136 218 T HN 0.249 nan 8.240 nan 0.000 0.498 219 L N 0.642 121.853 121.223 -0.020 0.000 2.354 219 L HA 0.790 5.130 4.340 -0.000 0.000 0.264 219 L C 0.751 177.609 176.870 -0.021 0.000 1.008 219 L CA -1.067 53.757 54.840 -0.028 0.000 0.819 219 L CB 2.287 44.319 42.059 -0.046 0.000 1.339 219 L HN 1.034 nan 8.230 nan 0.000 0.420 220 G N -0.247 108.538 108.800 -0.025 0.000 2.828 220 G HA2 0.858 4.818 3.960 -0.000 0.000 0.244 220 G HA3 0.858 4.818 3.960 -0.000 0.000 0.244 220 G C -0.596 174.287 174.900 -0.028 0.000 1.365 220 G CA -0.226 44.860 45.100 -0.024 0.000 1.041 220 G HN 0.905 nan 8.290 nan 0.000 0.560 221 G N -2.912 105.871 108.800 -0.027 0.000 2.320 221 G HA2 0.509 4.469 3.960 -0.000 0.000 0.296 221 G HA3 0.509 4.469 3.960 -0.000 0.000 0.296 221 G C -2.147 172.736 174.900 -0.028 0.000 1.306 221 G CA -0.194 44.890 45.100 -0.028 0.000 0.836 221 G HN 1.113 nan 8.290 nan 0.000 0.517 222 V N 0.450 120.347 119.914 -0.028 0.000 2.531 222 V HA 0.727 4.847 4.120 -0.000 0.000 0.301 222 V C 0.244 176.309 176.094 -0.048 0.000 1.034 222 V CA -0.555 61.727 62.300 -0.031 0.000 0.865 222 V CB 1.266 33.074 31.823 -0.024 0.000 0.995 222 V HN 1.388 nan 8.190 nan 0.000 0.424 223 V N 1.649 121.531 119.914 -0.054 0.000 2.919 223 V HA 0.817 4.937 4.120 -0.000 0.000 0.316 223 V C -0.603 175.430 176.094 -0.103 0.000 1.077 223 V CA -0.702 61.543 62.300 -0.092 0.000 0.977 223 V CB 2.032 33.821 31.823 -0.056 0.000 1.039 223 V HN 0.960 nan 8.190 nan 0.000 0.441 224 E N 1.780 121.867 120.200 -0.188 0.000 2.224 224 E HA 0.746 5.095 4.350 -0.000 0.000 0.265 224 E C -0.569 176.022 176.600 -0.015 0.000 0.878 224 E CA -0.756 55.582 56.400 -0.103 0.000 0.759 224 E CB 1.953 31.575 29.700 -0.130 0.000 1.164 224 E HN 1.259 nan 8.360 nan 0.000 0.414 225 A N 3.152 125.990 122.820 0.030 0.000 2.295 225 A HA 0.673 4.993 4.320 -0.000 0.000 0.318 225 A C -0.938 176.690 177.584 0.073 0.000 1.134 225 A CA -0.563 51.506 52.037 0.054 0.000 0.827 225 A CB 1.401 20.417 19.000 0.027 0.000 1.136 225 A HN 0.407 nan 8.150 nan 0.000 0.493 226 V N 0.646 120.599 119.914 0.066 0.000 2.623 226 V HA 0.667 4.786 4.120 -0.000 0.000 0.304 226 V C -0.041 176.070 176.094 0.028 0.000 1.054 226 V CA -0.215 62.118 62.300 0.055 0.000 0.882 226 V CB 1.614 33.466 31.823 0.048 0.000 1.002 226 V HN 1.321 nan 8.190 nan 0.000 0.424 227 A N 6.079 128.917 122.820 0.029 0.000 2.330 227 A HA 0.935 5.255 4.320 -0.000 0.000 0.313 227 A C -1.062 176.535 177.584 0.022 0.000 1.124 227 A CA -0.435 51.616 52.037 0.023 0.000 0.774 227 A CB 0.871 19.889 19.000 0.031 0.000 1.198 227 A HN 0.776 nan 8.150 nan 0.000 0.465 228 L N 1.647 122.878 121.223 0.012 0.000 2.334 228 L HA 0.725 5.065 4.340 -0.000 0.000 0.273 228 L C 1.216 178.093 176.870 0.012 0.000 1.013 228 L CA 0.060 54.906 54.840 0.010 0.000 0.816 228 L CB 1.941 43.997 42.059 -0.006 0.000 1.278 228 L HN 1.223 nan 8.230 nan 0.000 0.431 229 G N 1.540 110.351 108.800 0.018 0.000 2.157 229 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 229 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 229 G C -0.211 174.709 174.900 0.033 0.000 0.979 229 G CA -0.603 44.507 45.100 0.017 0.000 0.650 229 G HN 0.286 nan 8.290 nan 0.000 0.529 230 L N 2.350 123.604 121.223 0.051 0.000 2.453 230 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 230 L C -0.813 176.124 176.870 0.112 0.000 1.182 230 L CA -1.997 52.893 54.840 0.082 0.000 0.858 230 L CB 0.121 42.230 42.059 0.084 0.000 1.120 230 L HN 0.105 nan 8.230 nan 0.000 0.474 231 P HA 0.125 nan 4.420 nan 0.000 0.274 231 P C -0.609 176.832 177.300 0.234 0.000 1.246 231 P CA -0.471 62.771 63.100 0.236 0.000 0.795 231 P CB 0.666 32.605 31.700 0.398 0.000 1.006 232 V N 0.588 120.654 119.914 0.254 0.000 2.637 232 V HA 0.382 4.502 4.120 -0.000 0.000 0.296 232 V C 1.574 177.823 176.094 0.259 0.000 1.046 232 V CA 1.445 63.876 62.300 0.218 0.000 1.066 232 V CB -0.243 31.690 31.823 0.183 0.000 0.968 232 V HN 1.086 nan 8.190 nan 0.000 0.483 233 G N 3.720 112.608 108.800 0.148 0.000 2.135 233 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.183 233 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.183 233 G C -0.551 174.315 174.900 -0.056 0.000 1.004 233 G CA -0.555 44.590 45.100 0.075 0.000 0.677 233 G HN 0.466 nan 8.290 nan 0.000 0.512 234 L N 1.026 122.239 121.223 -0.017 0.000 2.326 234 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 234 L C 1.222 178.079 176.870 -0.021 0.000 1.092 234 L CA 1.013 55.819 54.840 -0.056 0.000 0.810 234 L CB 0.814 42.884 42.059 0.018 0.000 1.153 234 L HN 1.626 nan 8.230 nan 0.000 0.439 235 G N 2.243 111.014 108.800 -0.049 0.000 2.796 235 G HA2 0.070 4.030 3.960 -0.000 0.000 0.571 235 G HA3 0.070 4.030 3.960 -0.000 0.000 0.571 235 G C -0.668 174.201 174.900 -0.052 0.000 1.370 235 G CA -0.207 44.881 45.100 -0.021 0.000 0.856 235 G HN 0.875 nan 8.290 nan 0.000 0.538 236 S N -1.761 113.915 115.700 -0.040 0.000 2.570 236 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 236 S C 0.483 175.039 174.600 -0.073 0.000 1.149 236 S CA 0.380 58.493 58.200 -0.145 0.000 0.837 236 S CB 1.041 64.056 63.200 -0.308 0.000 1.124 236 S HN 1.797 nan 8.310 nan 0.000 0.465 237 F N 0.816 120.786 119.950 0.033 0.000 2.797 237 F HA 0.232 4.759 4.527 -0.000 0.000 0.302 237 F C 1.982 177.809 175.800 0.046 0.000 1.130 237 F CA 0.560 58.579 58.000 0.032 0.000 1.387 237 F CB -1.272 37.737 39.000 0.015 0.000 1.107 237 F HN 0.549 nan 8.300 nan 0.000 0.577 238 T N -3.030 111.256 114.554 -0.446 0.000 3.007 238 T HA 0.088 4.438 4.350 -0.000 0.000 0.270 238 T C 0.727 175.438 174.700 0.019 0.000 1.107 238 T CA 0.788 62.761 62.100 -0.213 0.000 1.118 238 T CB -0.301 68.406 68.868 -0.268 0.000 0.889 238 T HN 0.281 nan 8.240 nan 0.000 0.506 239 S N -1.636 114.076 115.700 0.020 0.000 2.565 239 S HA 0.578 5.048 4.470 -0.000 0.000 0.269 239 S C 1.179 175.711 174.600 -0.113 0.000 1.153 239 S CA -0.205 57.931 58.200 -0.105 0.000 0.835 239 S CB 1.145 64.095 63.200 -0.417 0.000 1.122 239 S HN 0.202 nan 8.310 nan 0.000 0.462 240 G N 2.049 110.782 108.800 -0.111 0.000 2.480 240 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 240 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 240 G C 1.016 175.859 174.900 -0.095 0.000 1.200 240 G CA 1.511 46.567 45.100 -0.073 0.000 0.782 240 G HN 0.910 nan 8.290 nan 0.000 0.554 241 D N -0.133 120.158 120.400 -0.181 0.000 2.350 241 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 241 D C 1.518 177.759 176.300 -0.097 0.000 0.968 241 D CA 0.699 54.610 54.000 -0.150 0.000 0.894 241 D CB -0.661 40.048 40.800 -0.152 0.000 0.909 241 D HN 0.384 nan 8.370 nan 0.000 0.520 242 H N 0.502 119.547 119.070 -0.042 0.000 2.548 242 H HA 0.213 4.769 4.556 -0.000 0.000 0.268 242 H C 0.503 175.805 175.328 -0.044 0.000 0.975 242 H CA 0.100 56.112 56.048 -0.060 0.000 1.195 242 H CB -0.061 29.637 29.762 -0.107 0.000 1.397 242 H HN 0.154 nan 8.280 nan 0.000 0.572 243 R N 0.843 121.388 120.500 0.076 0.000 2.590 243 R HA 0.043 4.383 4.340 -0.000 0.000 0.274 243 R C 1.384 177.718 176.300 0.057 0.000 1.061 243 R CA -0.206 55.931 56.100 0.063 0.000 1.081 243 R CB 1.122 31.453 30.300 0.052 0.000 0.984 243 R HN 0.156 nan 8.270 nan 0.000 0.448 244 L N 1.840 123.097 121.223 0.057 0.000 2.141 244 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 244 L C 1.457 178.361 176.870 0.057 0.000 1.094 244 L CA 1.170 56.044 54.840 0.057 0.000 0.763 244 L CB -0.242 41.850 42.059 0.056 0.000 0.908 244 L HN 0.742 nan 8.230 nan 0.000 0.437 245 D N -0.417 120.014 120.400 0.051 0.000 2.205 245 D HA -0.276 4.364 4.640 -0.000 0.000 0.190 245 D C 2.296 178.621 176.300 0.041 0.000 1.002 245 D CA 2.036 56.062 54.000 0.043 0.000 0.848 245 D CB -0.107 40.716 40.800 0.038 0.000 0.975 245 D HN 0.114 nan 8.370 nan 0.000 0.449 246 S N -0.812 114.910 115.700 0.036 0.000 2.368 246 S HA -0.262 4.208 4.470 -0.000 0.000 0.226 246 S C 1.966 176.592 174.600 0.043 0.000 1.044 246 S CA 1.976 60.194 58.200 0.030 0.000 1.062 246 S CB -0.265 62.944 63.200 0.016 0.000 0.931 246 S HN 0.337 nan 8.310 nan 0.000 0.440 247 Q N 0.060 119.893 119.800 0.055 0.000 2.050 247 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 247 Q C 2.380 178.436 176.000 0.093 0.000 0.980 247 Q CA 1.586 57.436 55.803 0.078 0.000 0.840 247 Q CB -0.299 28.493 28.738 0.091 0.000 0.898 247 Q HN 0.514 nan 8.270 nan 0.000 0.424 248 L N 0.057 121.327 121.223 0.078 0.000 2.093 248 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 248 L C 2.462 179.373 176.870 0.069 0.000 1.085 248 L CA 0.904 55.789 54.840 0.074 0.000 0.755 248 L CB -0.484 41.611 42.059 0.060 0.000 0.904 248 L HN 0.215 nan 8.230 nan 0.000 0.435 249 A N -0.146 122.711 122.820 0.061 0.000 1.929 249 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 249 A C 2.532 180.152 177.584 0.061 0.000 1.176 249 A CA 1.429 53.500 52.037 0.057 0.000 0.628 249 A CB -0.590 18.440 19.000 0.049 0.000 0.816 249 A HN 0.374 nan 8.150 nan 0.000 0.444 250 A N 0.107 122.965 122.820 0.064 0.000 1.865 250 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 250 A C 2.520 180.159 177.584 0.091 0.000 1.191 250 A CA 2.285 54.362 52.037 0.067 0.000 0.623 250 A CB -1.085 17.951 19.000 0.060 0.000 0.826 250 A HN 1.045 nan 8.150 nan 0.000 0.444 251 A N -0.963 121.929 122.820 0.119 0.000 1.898 251 A HA 0.081 4.400 4.320 -0.000 0.000 0.216 251 A C 2.229 179.872 177.584 0.099 0.000 1.181 251 A CA 1.754 53.885 52.037 0.156 0.000 0.620 251 A CB -0.735 18.378 19.000 0.188 0.000 0.819 251 A HN 0.378 nan 8.150 nan 0.000 0.442 252 V N -0.932 119.025 119.914 0.072 0.000 2.407 252 V HA -0.174 3.945 4.120 -0.000 0.000 0.245 252 V C 2.510 178.632 176.094 0.048 0.000 1.041 252 V CA 2.078 64.408 62.300 0.051 0.000 1.040 252 V CB -0.492 31.357 31.823 0.043 0.000 0.671 252 V HN 0.625 nan 8.190 nan 0.000 0.455 253 M N 1.377 121.008 119.600 0.052 0.000 2.319 253 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 253 M C 1.819 178.146 176.300 0.044 0.000 1.068 253 M CA 1.718 57.046 55.300 0.046 0.000 1.118 253 M CB -0.745 31.884 32.600 0.049 0.000 1.395 253 M HN 0.259 nan 8.290 nan 0.000 0.435 254 G N 0.211 109.044 108.800 0.056 0.000 2.559 254 G HA2 0.020 3.980 3.960 -0.000 0.000 0.216 254 G HA3 0.020 3.980 3.960 -0.000 0.000 0.216 254 G C 0.662 175.594 174.900 0.053 0.000 1.126 254 G CA 0.001 45.136 45.100 0.058 0.000 0.778 254 G HN 0.477 nan 8.290 nan 0.000 0.543 255 I N 0.867 121.465 120.570 0.046 0.000 2.710 255 I HA 0.016 4.186 4.170 -0.000 0.000 0.286 255 I C 0.315 176.447 176.117 0.024 0.000 1.181 255 I CA -0.406 60.914 61.300 0.034 0.000 1.430 255 I CB 0.676 38.691 38.000 0.025 0.000 1.367 255 I HN 0.065 nan 8.210 nan 0.000 0.577 256 Q N 4.745 124.558 119.800 0.022 0.000 2.286 256 Q HA 0.200 4.540 4.340 -0.000 0.000 0.290 256 Q C 0.870 176.869 176.000 -0.002 0.000 1.049 256 Q CA 1.120 56.931 55.803 0.014 0.000 0.923 256 Q CB 0.480 29.233 28.738 0.025 0.000 1.183 256 Q HN 0.820 nan 8.270 nan 0.000 0.383 257 A N 2.036 124.841 122.820 -0.025 0.000 3.829 257 A HA -0.185 4.135 4.320 -0.000 0.000 0.264 257 A C 0.183 177.752 177.584 -0.024 0.000 0.998 257 A CA 0.583 52.596 52.037 -0.040 0.000 1.270 257 A CB -1.774 17.205 19.000 -0.035 0.000 1.063 257 A HN 0.550 nan 8.150 nan 0.000 0.879 258 I N 0.494 121.059 120.570 -0.008 0.000 2.471 258 I HA 0.237 4.406 4.170 -0.000 0.000 0.286 258 I C 1.113 177.230 176.117 0.001 0.000 1.079 258 I CA 0.533 61.832 61.300 -0.001 0.000 1.398 258 I CB 0.974 38.981 38.000 0.012 0.000 1.403 258 I HN 0.170 nan 8.210 nan 0.000 0.530 259 K N 4.100 124.497 120.400 -0.005 0.000 2.438 259 K HA 0.344 4.663 4.320 -0.000 0.000 0.206 259 K C 0.436 177.037 176.600 0.002 0.000 1.081 259 K CA 0.042 56.326 56.287 -0.006 0.000 1.053 259 K CB 1.691 34.176 32.500 -0.024 0.000 0.908 259 K HN 0.777 nan 8.250 nan 0.000 0.556 260 G N 0.593 109.401 108.800 0.013 0.000 2.766 260 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 260 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 260 G C -1.810 173.132 174.900 0.070 0.000 1.431 260 G CA -0.426 44.698 45.100 0.039 0.000 1.042 260 G HN -0.077 nan 8.290 nan 0.000 0.542 261 V N 1.157 121.145 119.914 0.123 0.000 2.823 261 V HA 0.973 5.093 4.120 -0.000 0.000 0.312 261 V C -0.868 175.324 176.094 0.163 0.000 1.072 261 V CA -0.741 61.627 62.300 0.113 0.000 0.937 261 V CB 1.892 33.760 31.823 0.076 0.000 1.013 261 V HN 1.033 nan 8.190 nan 0.000 0.430 262 E N 6.242 126.520 120.200 0.130 0.000 2.367 262 E HA 0.583 4.933 4.350 -0.000 0.000 0.273 262 E C -1.556 175.085 176.600 0.067 0.000 0.903 262 E CA -1.075 55.393 56.400 0.112 0.000 0.764 262 E CB 2.432 32.240 29.700 0.180 0.000 1.252 262 E HN 0.522 nan 8.360 nan 0.000 0.446 263 I N 1.981 122.575 120.570 0.040 0.000 2.359 263 I HA 0.365 4.534 4.170 -0.000 0.000 0.294 263 I C 1.368 177.505 176.117 0.034 0.000 0.987 263 I CA 0.397 61.719 61.300 0.038 0.000 1.225 263 I CB 0.164 38.183 38.000 0.031 0.000 1.366 263 I HN 1.055 nan 8.210 nan 0.000 0.466 264 G N 6.812 115.637 108.800 0.042 0.000 2.652 264 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.318 264 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.318 264 G C 0.508 175.429 174.900 0.036 0.000 1.295 264 G CA 0.633 45.756 45.100 0.039 0.000 0.999 264 G HN 0.604 nan 8.290 nan 0.000 0.548 265 D N 2.499 122.912 120.400 0.021 0.000 2.363 265 D HA 0.317 4.957 4.640 -0.000 0.000 0.226 265 D C 1.934 178.250 176.300 0.027 0.000 1.020 265 D CA 2.089 56.101 54.000 0.020 0.000 0.892 265 D CB -0.419 40.382 40.800 0.001 0.000 0.900 265 D HN 1.339 nan 8.370 nan 0.000 0.531 266 G N 1.326 110.129 108.800 0.005 0.000 2.622 266 G HA2 -0.412 3.547 3.960 -0.000 0.000 0.307 266 G HA3 -0.412 3.547 3.960 -0.000 0.000 0.307 266 G C 0.991 175.853 174.900 -0.063 0.000 1.226 266 G CA 0.347 45.440 45.100 -0.013 0.000 0.997 266 G HN 0.277 nan 8.290 nan 0.000 0.551 267 F N 0.875 120.824 119.950 -0.002 0.000 2.250 267 F HA -0.050 4.477 4.527 -0.000 0.000 0.301 267 F C 2.958 178.752 175.800 -0.010 0.000 1.077 267 F CA 2.322 60.320 58.000 -0.004 0.000 1.348 267 F CB -0.212 38.787 39.000 -0.003 0.000 1.040 267 F HN 0.418 nan 8.300 nan 0.000 0.509 268 Q N 0.302 120.183 119.800 0.134 0.000 2.049 268 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 268 Q C 2.131 178.137 176.000 0.010 0.000 0.971 268 Q CA 2.262 58.103 55.803 0.064 0.000 0.833 268 Q CB -0.862 27.902 28.738 0.045 0.000 0.896 268 Q HN 0.283 nan 8.270 nan 0.000 0.434 269 T N 0.657 115.199 114.554 -0.019 0.000 2.680 269 T HA -0.274 4.075 4.350 -0.000 0.000 0.268 269 T C 1.575 176.235 174.700 -0.067 0.000 1.033 269 T CA 1.663 63.724 62.100 -0.065 0.000 1.152 269 T CB -0.660 68.158 68.868 -0.084 0.000 0.859 269 T HN 0.474 nan 8.240 nan 0.000 0.452 270 A N 0.773 123.558 122.820 -0.058 0.000 2.225 270 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 270 A C 2.202 179.778 177.584 -0.014 0.000 1.164 270 A CA 0.939 52.947 52.037 -0.050 0.000 0.710 270 A CB -0.309 18.648 19.000 -0.071 0.000 0.780 270 A HN 0.471 nan 8.150 nan 0.000 0.473 271 R N -1.196 119.301 120.500 -0.006 0.000 2.404 271 R HA 0.167 4.506 4.340 -0.000 0.000 0.237 271 R C 0.167 176.461 176.300 -0.011 0.000 0.907 271 R CA -0.220 55.883 56.100 0.005 0.000 1.063 271 R CB 0.462 30.775 30.300 0.022 0.000 1.134 271 R HN 0.379 nan 8.270 nan 0.000 0.529 272 R N 0.942 121.424 120.500 -0.030 0.000 2.543 272 R HA 0.297 4.636 4.340 -0.000 0.000 0.268 272 R C 0.019 176.293 176.300 -0.043 0.000 1.067 272 R CA -0.538 55.536 56.100 -0.043 0.000 1.142 272 R CB 0.857 31.116 30.300 -0.069 0.000 1.110 272 R HN -0.128 nan 8.270 nan 0.000 0.549 273 R N -0.011 120.468 120.500 -0.035 0.000 2.441 273 R HA 0.068 4.408 4.340 -0.000 0.000 0.284 273 R C 1.445 177.726 176.300 -0.031 0.000 1.070 273 R CA 0.129 56.217 56.100 -0.021 0.000 1.047 273 R CB 0.917 31.212 30.300 -0.007 0.000 1.016 273 R HN 0.896 nan 8.270 nan 0.000 0.477 274 G N 0.825 109.632 108.800 0.011 0.000 2.503 274 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.221 274 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.221 274 G C 1.407 176.351 174.900 0.074 0.000 1.131 274 G CA 1.342 46.486 45.100 0.073 0.000 0.756 274 G HN 0.696 nan 8.290 nan 0.000 0.572 275 S N 0.839 116.562 115.700 0.038 0.000 2.419 275 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 275 S C 1.841 176.453 174.600 0.020 0.000 1.019 275 S CA 1.427 59.648 58.200 0.035 0.000 0.982 275 S CB -0.189 63.025 63.200 0.023 0.000 0.789 275 S HN 0.721 nan 8.310 nan 0.000 0.490 276 R N -0.330 120.161 120.500 -0.016 0.000 2.616 276 R HA 0.659 4.999 4.340 -0.000 0.000 0.427 276 R C 1.170 177.411 176.300 -0.100 0.000 1.030 276 R CA 0.370 56.451 56.100 -0.031 0.000 1.133 276 R CB -0.027 30.263 30.300 -0.016 0.000 1.444 276 R HN 0.299 nan 8.270 nan 0.000 0.578 277 A N 0.497 123.182 122.820 -0.225 0.000 2.081 277 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 277 A C 0.291 177.543 177.584 -0.554 0.000 1.158 277 A CA 0.453 52.217 52.037 -0.454 0.000 0.724 277 A CB -0.126 18.482 19.000 -0.654 0.000 0.826 277 A HN 0.341 nan 8.150 nan 0.000 0.463 278 H N -0.491 118.579 119.070 -0.001 0.000 2.824 278 H HA 0.423 4.979 4.556 -0.000 0.000 0.345 278 H C -1.408 173.921 175.328 0.002 0.000 1.252 278 H CA -0.969 55.077 56.048 -0.004 0.000 1.246 278 H CB 0.866 30.619 29.762 -0.015 0.000 1.908 278 H HN 0.182 nan 8.280 nan 0.000 0.601 279 D N 1.347 121.830 120.400 0.137 0.000 2.453 279 D HA 0.186 4.825 4.640 -0.000 0.000 0.238 279 D C -0.097 176.220 176.300 0.029 0.000 1.088 279 D CA -0.388 53.659 54.000 0.077 0.000 0.854 279 D CB 1.583 42.423 40.800 0.068 0.000 1.076 279 D HN 0.406 nan 8.370 nan 0.000 0.533 280 E N 1.401 121.600 120.200 -0.002 0.000 2.408 280 E HA 0.266 4.616 4.350 -0.000 0.000 0.259 280 E C 0.065 176.454 176.600 -0.353 0.000 1.110 280 E CA 0.071 56.363 56.400 -0.180 0.000 0.929 280 E CB 1.196 30.771 29.700 -0.208 0.000 0.971 280 E HN 0.296 nan 8.360 nan 0.000 0.438 281 M N 1.504 120.780 119.600 -0.540 0.000 2.528 281 M HA 0.440 4.920 4.480 -0.000 0.000 0.321 281 M C -1.376 174.488 176.300 -0.726 0.000 1.153 281 M CA -0.544 54.499 55.300 -0.429 0.000 0.951 281 M CB 1.264 33.748 32.600 -0.193 0.000 1.705 281 M HN 0.436 nan 8.290 nan 0.000 0.451 282 Y N 0.144 120.448 120.300 0.008 0.000 2.562 282 Y HA 0.542 5.092 4.550 -0.000 0.000 0.345 282 Y C -2.426 173.477 175.900 0.004 0.000 1.045 282 Y CA -2.297 55.806 58.100 0.006 0.000 1.028 282 Y CB 0.919 39.383 38.460 0.007 0.000 1.297 282 Y HN 0.423 nan 8.280 nan 0.000 0.463 283 P HA 0.377 nan 4.420 nan 0.000 0.272 283 P C -0.284 177.066 177.300 0.083 0.000 1.223 283 P CA -0.070 63.083 63.100 0.087 0.000 0.784 283 P CB 1.001 32.738 31.700 0.062 0.000 0.923 284 G N 1.089 109.921 108.800 0.053 0.000 2.725 284 G HA2 0.472 4.432 3.960 -0.000 0.000 0.288 284 G HA3 0.472 4.432 3.960 -0.000 0.000 0.288 284 G C -2.219 172.696 174.900 0.023 0.000 1.399 284 G CA -1.131 43.992 45.100 0.039 0.000 0.859 284 G HN 0.183 nan 8.290 nan 0.000 0.479 285 P HA -0.033 nan 4.420 nan 0.000 0.221 285 P C 0.326 177.630 177.300 0.006 0.000 1.145 285 P CA 1.513 64.618 63.100 0.009 0.000 0.795 285 P CB 0.302 32.006 31.700 0.006 0.000 0.775 286 D N -2.356 118.049 120.400 0.009 0.000 2.500 286 D HA 0.317 4.957 4.640 -0.000 0.000 0.217 286 D C 0.973 177.275 176.300 0.004 0.000 1.159 286 D CA 0.090 54.093 54.000 0.005 0.000 0.828 286 D CB 0.684 41.489 40.800 0.007 0.000 1.039 286 D HN 0.238 nan 8.370 nan 0.000 0.512 287 G N 0.227 109.032 108.800 0.009 0.000 2.343 287 G HA2 0.188 4.147 3.960 -0.000 0.000 0.465 287 G HA3 0.188 4.147 3.960 -0.000 0.000 0.465 287 G C -0.720 174.194 174.900 0.022 0.000 1.282 287 G CA -0.501 44.605 45.100 0.009 0.000 0.996 287 G HN 0.691 nan 8.290 nan 0.000 0.521 288 V N -0.531 119.396 119.914 0.021 0.000 2.763 288 V HA 0.627 4.746 4.120 -0.000 0.000 0.306 288 V C 0.909 177.034 176.094 0.052 0.000 1.059 288 V CA 0.617 62.937 62.300 0.033 0.000 1.138 288 V CB 0.804 32.633 31.823 0.010 0.000 0.940 288 V HN 2.185 nan 8.190 nan 0.000 0.489 289 V N 3.856 123.824 119.914 0.090 0.000 2.919 289 V HA 0.816 4.936 4.120 -0.000 0.000 0.316 289 V C -0.167 176.030 176.094 0.172 0.000 1.077 289 V CA -1.123 61.243 62.300 0.110 0.000 0.977 289 V CB 1.834 33.718 31.823 0.101 0.000 1.039 289 V HN 1.107 nan 8.190 nan 0.000 0.441 290 R N 1.107 121.698 120.500 0.153 0.000 2.888 290 R HA 0.684 5.024 4.340 -0.000 0.000 0.264 290 R C 0.288 176.689 176.300 0.169 0.000 1.045 290 R CA -0.064 56.155 56.100 0.197 0.000 0.962 290 R CB 2.130 32.497 30.300 0.111 0.000 1.210 290 R HN 0.942 nan 8.270 nan 0.000 0.479 291 S N -1.942 113.870 115.700 0.186 0.000 2.604 291 S HA 0.040 4.510 4.470 -0.000 0.000 0.235 291 S C 0.539 175.187 174.600 0.079 0.000 1.043 291 S CA -0.140 58.118 58.200 0.096 0.000 0.997 291 S CB 0.399 63.622 63.200 0.039 0.000 0.956 291 S HN 0.682 nan 8.310 nan 0.000 0.535 292 T N 0.303 114.915 114.554 0.096 0.000 2.949 292 T HA 0.643 4.993 4.350 -0.000 0.000 0.287 292 T C -0.502 174.234 174.700 0.061 0.000 1.034 292 T CA -0.702 61.437 62.100 0.066 0.000 1.018 292 T CB 1.522 70.426 68.868 0.060 0.000 1.135 292 T HN 0.061 nan 8.240 nan 0.000 0.532 293 N N -0.880 117.848 118.700 0.047 0.000 2.622 293 N HA 0.210 4.950 4.740 -0.000 0.000 0.304 293 N C 1.113 176.646 175.510 0.038 0.000 1.844 293 N CA -0.602 52.476 53.050 0.046 0.000 0.886 293 N CB 0.195 38.710 38.487 0.046 0.000 1.366 293 N HN 0.582 nan 8.380 nan 0.000 0.491 294 R N -0.474 120.044 120.500 0.029 0.000 2.159 294 R HA -0.051 4.289 4.340 -0.000 0.000 0.237 294 R C 1.545 177.857 176.300 0.020 0.000 1.131 294 R CA 1.476 57.584 56.100 0.013 0.000 0.982 294 R CB -0.139 30.153 30.300 -0.014 0.000 0.868 294 R HN 0.262 nan 8.270 nan 0.000 0.453 295 A N 0.719 123.563 122.820 0.039 0.000 2.066 295 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 295 A C 1.652 179.263 177.584 0.044 0.000 1.157 295 A CA 0.993 53.060 52.037 0.050 0.000 0.670 295 A CB -0.334 18.707 19.000 0.068 0.000 0.804 295 A HN 0.472 nan 8.150 nan 0.000 0.453 296 G N -2.230 106.597 108.800 0.044 0.000 2.198 296 G HA2 0.185 4.144 3.960 -0.000 0.000 0.257 296 G HA3 0.185 4.144 3.960 -0.000 0.000 0.257 296 G C 1.391 176.321 174.900 0.050 0.000 1.042 296 G CA 0.757 45.885 45.100 0.047 0.000 0.791 296 G HN 2.094 nan 8.290 nan 0.000 0.502 297 G N -2.540 106.291 108.800 0.052 0.000 2.143 297 G HA2 0.028 3.988 3.960 -0.000 0.000 0.249 297 G HA3 0.028 3.988 3.960 -0.000 0.000 0.249 297 G C -0.018 174.917 174.900 0.057 0.000 0.981 297 G CA 0.624 45.757 45.100 0.054 0.000 0.665 297 G HN 1.483 nan 8.290 nan 0.000 0.528 298 L N 0.418 121.674 121.223 0.055 0.000 2.439 298 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 298 L C -0.411 176.492 176.870 0.055 0.000 0.972 298 L CA -1.093 53.782 54.840 0.057 0.000 0.836 298 L CB 1.893 43.984 42.059 0.054 0.000 1.255 298 L HN 0.288 nan 8.230 nan 0.000 0.404 299 E N 1.783 122.016 120.200 0.055 0.000 2.256 299 E HA 0.588 4.938 4.350 -0.000 0.000 0.268 299 E C 0.336 176.969 176.600 0.055 0.000 0.877 299 E CA -0.370 56.056 56.400 0.043 0.000 0.757 299 E CB 1.864 31.578 29.700 0.023 0.000 1.183 299 E HN 0.767 nan 8.360 nan 0.000 0.418 300 G N 1.989 110.819 108.800 0.049 0.000 2.225 300 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.267 300 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.267 300 G C 0.878 175.865 174.900 0.144 0.000 1.024 300 G CA 0.689 45.839 45.100 0.084 0.000 0.784 300 G HN 1.263 nan 8.290 nan 0.000 0.507 301 G N -2.189 106.671 108.800 0.100 0.000 2.143 301 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.249 301 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.249 301 G C 0.187 175.141 174.900 0.089 0.000 0.981 301 G CA 1.089 46.243 45.100 0.090 0.000 0.665 301 G HN 1.166 nan 8.290 nan 0.000 0.528 302 M N 1.037 120.695 119.600 0.097 0.000 2.602 302 M HA 0.488 4.968 4.480 -0.000 0.000 0.312 302 M C 0.777 177.124 176.300 0.079 0.000 1.181 302 M CA -0.425 54.928 55.300 0.089 0.000 0.910 302 M CB 2.040 34.713 32.600 0.122 0.000 1.723 302 M HN 0.318 nan 8.290 nan 0.000 0.459 303 T N -0.712 113.887 114.554 0.075 0.000 2.928 303 T HA 0.144 4.494 4.350 -0.000 0.000 0.305 303 T C 0.389 175.142 174.700 0.088 0.000 1.035 303 T CA -0.480 61.668 62.100 0.080 0.000 1.145 303 T CB 0.056 68.976 68.868 0.088 0.000 0.963 303 T HN 0.815 nan 8.240 nan 0.000 0.545 304 N N 1.054 119.800 118.700 0.077 0.000 2.235 304 N HA 0.240 4.979 4.740 -0.000 0.000 0.231 304 N C 1.275 176.825 175.510 0.067 0.000 1.177 304 N CA -0.012 53.080 53.050 0.070 0.000 0.874 304 N CB -0.004 38.516 38.487 0.055 0.000 1.097 304 N HN 1.187 nan 8.380 nan 0.000 0.518 305 G N -0.382 108.463 108.800 0.075 0.000 2.179 305 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 305 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 305 G C -0.367 174.567 174.900 0.057 0.000 0.977 305 G CA 0.174 45.315 45.100 0.068 0.000 0.641 305 G HN 0.427 nan 8.290 nan 0.000 0.533 306 Q N 0.080 119.913 119.800 0.056 0.000 2.248 306 Q HA 0.515 4.855 4.340 -0.000 0.000 0.263 306 Q C -2.492 173.537 176.000 0.048 0.000 1.007 306 Q CA -2.098 53.735 55.803 0.050 0.000 0.877 306 Q CB 1.061 29.830 28.738 0.051 0.000 1.315 306 Q HN 0.118 nan 8.270 nan 0.000 0.454 307 P HA -0.062 nan 4.420 nan 0.000 0.263 307 P C -0.374 176.953 177.300 0.046 0.000 1.175 307 P CA 0.262 63.385 63.100 0.039 0.000 0.761 307 P CB 0.356 32.075 31.700 0.032 0.000 0.794 308 L N 5.112 126.363 121.223 0.046 0.000 2.367 308 L HA 0.229 4.569 4.340 -0.000 0.000 0.275 308 L C 0.255 177.156 176.870 0.052 0.000 1.129 308 L CA -0.012 54.858 54.840 0.050 0.000 0.839 308 L CB 0.137 42.225 42.059 0.049 0.000 1.133 308 L HN 0.415 nan 8.230 nan 0.000 0.453 309 R N 4.116 124.649 120.500 0.055 0.000 2.483 309 R HA 0.511 4.851 4.340 -0.000 0.000 0.303 309 R C -1.467 174.866 176.300 0.056 0.000 0.987 309 R CA -0.610 55.528 56.100 0.063 0.000 0.881 309 R CB 2.232 32.575 30.300 0.072 0.000 1.177 309 R HN 0.361 nan 8.270 nan 0.000 0.451 310 V N 3.865 123.810 119.914 0.052 0.000 2.409 310 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 310 V C 0.001 176.118 176.094 0.038 0.000 1.020 310 V CA -0.858 61.469 62.300 0.046 0.000 0.848 310 V CB 1.746 33.594 31.823 0.041 0.000 0.990 310 V HN 0.641 nan 8.190 nan 0.000 0.430 311 R N 2.875 123.400 120.500 0.042 0.000 2.589 311 R HA 0.876 5.216 4.340 -0.000 0.000 0.293 311 R C -0.588 175.733 176.300 0.035 0.000 0.963 311 R CA -0.574 55.543 56.100 0.028 0.000 0.905 311 R CB 2.312 32.633 30.300 0.036 0.000 1.144 311 R HN 0.789 nan 8.270 nan 0.000 0.459 312 A N 1.343 124.172 122.820 0.015 0.000 2.371 312 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 312 A C -0.886 176.698 177.584 -0.000 0.000 1.068 312 A CA -0.717 51.329 52.037 0.016 0.000 0.744 312 A CB 1.751 20.758 19.000 0.012 0.000 1.239 312 A HN 0.755 nan 8.150 nan 0.000 0.435 313 A N 2.872 125.691 122.820 -0.002 0.000 2.269 313 A HA 0.618 4.938 4.320 -0.000 0.000 0.302 313 A C -0.091 177.481 177.584 -0.020 0.000 1.266 313 A CA -0.179 51.845 52.037 -0.022 0.000 0.894 313 A CB 0.038 19.012 19.000 -0.043 0.000 1.147 313 A HN 0.987 nan 8.150 nan 0.000 0.537 314 M N 4.572 124.158 119.600 -0.022 0.000 2.101 314 M HA 0.289 4.769 4.480 -0.000 0.000 0.340 314 M C 0.358 176.642 176.300 -0.027 0.000 1.057 314 M CA -0.600 54.687 55.300 -0.021 0.000 0.984 314 M CB 0.803 33.394 32.600 -0.016 0.000 1.560 314 M HN 0.806 nan 8.290 nan 0.000 0.435 315 K N 5.373 125.754 120.400 -0.032 0.000 2.286 315 K HA 0.381 4.701 4.320 -0.000 0.000 0.256 315 K C -2.737 173.846 176.600 -0.029 0.000 0.999 315 K CA -1.227 55.039 56.287 -0.036 0.000 0.908 315 K CB -0.475 31.998 32.500 -0.046 0.000 0.981 315 K HN 0.289 nan 8.250 nan 0.000 0.500 316 P HA 0.000 nan 4.420 nan 0.000 0.267 316 P C -0.198 177.102 177.300 0.001 0.000 1.209 316 P CA 0.053 63.150 63.100 -0.006 0.000 0.763 316 P CB 0.293 31.992 31.700 -0.002 0.000 0.816 317 I N -0.455 120.132 120.570 0.029 0.000 3.265 317 I HA 0.064 4.234 4.170 -0.000 0.000 0.282 317 I C 0.576 176.826 176.117 0.221 0.000 1.207 317 I CA 0.487 61.828 61.300 0.067 0.000 1.449 317 I CB -0.296 37.756 38.000 0.087 0.000 1.121 317 I HN 0.073 nan 8.210 nan 0.000 0.442 318 S N 1.915 117.703 115.700 0.147 0.000 2.474 318 S HA 0.235 4.705 4.470 -0.000 0.000 0.276 318 S C 0.321 175.006 174.600 0.140 0.000 1.227 318 S CA -0.292 57.996 58.200 0.146 0.000 1.050 318 S CB 0.441 63.689 63.200 0.081 0.000 0.939 318 S HN 0.225 nan 8.310 nan 0.000 0.490 319 T N 2.908 117.568 114.554 0.176 0.000 2.888 319 T HA 0.075 4.425 4.350 -0.000 0.000 0.301 319 T C 0.346 175.081 174.700 0.058 0.000 1.001 319 T CA -0.153 62.033 62.100 0.144 0.000 1.147 319 T CB 0.569 69.533 68.868 0.160 0.000 0.931 319 T HN 0.474 nan 8.240 nan 0.000 0.541 320 V N 7.270 127.200 119.914 0.027 0.000 2.470 320 V HA 0.174 4.293 4.120 -0.000 0.000 0.276 320 V C -1.372 174.698 176.094 -0.041 0.000 1.040 320 V CA -1.725 60.555 62.300 -0.032 0.000 1.008 320 V CB 1.090 32.903 31.823 -0.016 0.000 0.990 320 V HN 0.660 nan 8.190 nan 0.000 0.477 321 P HA -0.231 nan 4.420 nan 0.000 0.225 321 P C 0.897 178.228 177.300 0.051 0.000 1.154 321 P CA 2.197 65.229 63.100 -0.114 0.000 0.933 321 P CB 0.046 31.613 31.700 -0.222 0.000 0.790 322 R N -2.540 117.975 120.500 0.025 0.000 2.592 322 R HA 0.449 4.789 4.340 -0.000 0.000 0.439 322 R C 1.005 177.321 176.300 0.027 0.000 0.995 322 R CA 0.372 56.496 56.100 0.040 0.000 1.141 322 R CB 0.049 30.371 30.300 0.038 0.000 1.495 322 R HN 0.003 nan 8.270 nan 0.000 0.579 323 A N 0.866 123.699 122.820 0.022 0.000 2.095 323 A HA 0.322 4.642 4.320 -0.000 0.000 0.212 323 A C 0.676 178.270 177.584 0.017 0.000 1.162 323 A CA 0.222 52.268 52.037 0.014 0.000 0.753 323 A CB 0.278 19.282 19.000 0.007 0.000 0.840 323 A HN 0.259 nan 8.150 nan 0.000 0.468 324 L N 0.712 121.951 121.223 0.026 0.000 2.319 324 L HA 0.595 4.934 4.340 -0.000 0.000 0.281 324 L C 0.208 177.091 176.870 0.022 0.000 1.005 324 L CA -0.781 54.074 54.840 0.024 0.000 0.828 324 L CB 1.561 43.642 42.059 0.038 0.000 1.227 324 L HN 0.181 nan 8.230 nan 0.000 0.415 325 A N 2.630 125.456 122.820 0.010 0.000 2.462 325 A HA 0.574 4.894 4.320 -0.000 0.000 0.243 325 A C 0.171 177.754 177.584 -0.001 0.000 1.076 325 A CA 0.240 52.280 52.037 0.005 0.000 0.773 325 A CB 0.903 19.901 19.000 -0.002 0.000 1.010 325 A HN 0.710 nan 8.150 nan 0.000 0.493 326 T N 0.370 114.924 114.554 0.000 0.000 2.654 326 T HA 0.563 4.913 4.350 -0.000 0.000 0.289 326 T C -1.143 173.553 174.700 -0.008 0.000 1.062 326 T CA -0.308 61.786 62.100 -0.010 0.000 1.041 326 T CB 1.026 69.900 68.868 0.011 0.000 1.417 326 T HN 0.686 nan 8.240 nan 0.000 0.510 327 V N 2.382 122.291 119.914 -0.007 0.000 2.628 327 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 327 V C -0.685 175.432 176.094 0.038 0.000 1.045 327 V CA -0.767 61.539 62.300 0.010 0.000 0.905 327 V CB 1.760 33.583 31.823 0.001 0.000 0.997 327 V HN 0.908 nan 8.190 nan 0.000 0.436 328 D N 3.268 123.691 120.400 0.038 0.000 2.339 328 D HA 0.202 4.841 4.640 -0.000 0.000 0.241 328 D C 0.873 177.209 176.300 0.059 0.000 1.183 328 D CA 0.028 54.056 54.000 0.047 0.000 0.859 328 D CB 1.104 41.926 40.800 0.036 0.000 1.067 328 D HN 0.443 nan 8.370 nan 0.000 0.484 329 L N 3.158 124.430 121.223 0.081 0.000 2.362 329 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 329 L C 2.131 179.046 176.870 0.076 0.000 1.134 329 L CA 0.721 55.620 54.840 0.099 0.000 0.807 329 L CB -0.173 41.969 42.059 0.138 0.000 0.927 329 L HN 0.494 nan 8.230 nan 0.000 0.447 330 A N -0.052 122.805 122.820 0.061 0.000 1.929 330 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 330 A C 2.357 179.966 177.584 0.042 0.000 1.176 330 A CA 2.092 54.159 52.037 0.050 0.000 0.628 330 A CB -0.467 18.559 19.000 0.042 0.000 0.816 330 A HN 0.475 nan 8.150 nan 0.000 0.444 331 T N -5.939 108.639 114.554 0.039 0.000 3.018 331 T HA 0.418 4.768 4.350 -0.000 0.000 0.246 331 T C 1.463 176.182 174.700 0.032 0.000 1.026 331 T CA 1.219 63.338 62.100 0.032 0.000 1.081 331 T CB 0.206 69.090 68.868 0.026 0.000 0.970 331 T HN 1.726 nan 8.240 nan 0.000 0.475 332 G N 1.196 110.019 108.800 0.038 0.000 2.157 332 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.239 332 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.239 332 G C -0.438 174.478 174.900 0.026 0.000 0.982 332 G CA 0.070 45.191 45.100 0.036 0.000 0.650 332 G HN 0.644 nan 8.290 nan 0.000 0.527 333 D N 0.522 120.937 120.400 0.024 0.000 2.277 333 D HA 0.539 5.179 4.640 -0.000 0.000 0.250 333 D C 0.784 177.094 176.300 0.016 0.000 1.032 333 D CA -0.444 53.566 54.000 0.018 0.000 0.947 333 D CB 0.709 41.520 40.800 0.017 0.000 1.159 333 D HN 0.391 nan 8.370 nan 0.000 0.460 334 E N -0.108 120.099 120.200 0.011 0.000 2.422 334 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 334 E C -0.683 175.924 176.600 0.013 0.000 1.108 334 E CA -0.118 56.287 56.400 0.009 0.000 0.943 334 E CB 0.727 30.431 29.700 0.006 0.000 0.961 334 E HN 0.411 nan 8.360 nan 0.000 0.443 335 A N 1.244 124.071 122.820 0.013 0.000 2.581 335 A HA 0.548 4.867 4.320 -0.000 0.000 0.290 335 A C -1.486 176.110 177.584 0.019 0.000 1.119 335 A CA -0.668 51.380 52.037 0.018 0.000 0.670 335 A CB 1.373 20.387 19.000 0.023 0.000 1.280 335 A HN 0.312 nan 8.150 nan 0.000 0.425 336 V N 0.739 120.668 119.914 0.024 0.000 2.581 336 V HA 0.656 4.776 4.120 -0.000 0.000 0.303 336 V C 0.729 176.846 176.094 0.039 0.000 1.041 336 V CA -0.099 62.219 62.300 0.030 0.000 0.907 336 V CB 1.592 33.434 31.823 0.032 0.000 0.994 336 V HN 1.557 nan 8.190 nan 0.000 0.442 337 A N 5.853 128.701 122.820 0.047 0.000 2.454 337 A HA 0.578 4.897 4.320 -0.000 0.000 0.260 337 A C -0.328 177.301 177.584 0.075 0.000 1.106 337 A CA 0.045 52.117 52.037 0.057 0.000 0.780 337 A CB -0.258 18.782 19.000 0.067 0.000 1.044 337 A HN 0.720 nan 8.150 nan 0.000 0.498 338 I N 4.460 125.062 120.570 0.052 0.000 2.365 338 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 338 I C 0.831 176.959 176.117 0.018 0.000 1.004 338 I CA -0.481 60.842 61.300 0.038 0.000 1.311 338 I CB 0.846 38.830 38.000 -0.028 0.000 1.401 338 I HN 0.804 nan 8.210 nan 0.000 0.491 339 H N 6.175 125.248 119.070 0.004 0.000 2.615 339 H HA 0.264 4.820 4.556 -0.000 0.000 0.363 339 H C -0.428 174.892 175.328 -0.013 0.000 1.148 339 H CA -0.552 55.491 56.048 -0.009 0.000 1.401 339 H CB 1.265 31.034 29.762 0.012 0.000 1.461 339 H HN 0.563 nan 8.280 nan 0.000 0.588 340 Q N 1.190 120.981 119.800 -0.015 0.000 2.378 340 Q HA 0.119 4.459 4.340 -0.000 0.000 0.229 340 Q C 0.317 176.356 176.000 0.065 0.000 0.882 340 Q CA 0.440 56.224 55.803 -0.032 0.000 0.936 340 Q CB 0.943 29.646 28.738 -0.058 0.000 1.092 340 Q HN 0.736 nan 8.270 nan 0.000 0.535 341 R N -1.260 119.323 120.500 0.138 0.000 2.854 341 R HA 0.659 4.999 4.340 -0.000 0.000 0.271 341 R C 0.387 176.817 176.300 0.217 0.000 0.996 341 R CA -0.531 55.661 56.100 0.153 0.000 0.961 341 R CB 1.031 31.394 30.300 0.105 0.000 1.182 341 R HN -0.314 nan 8.270 nan 0.000 0.479 342 S N -0.160 115.635 115.700 0.157 0.000 2.578 342 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 342 S C -0.419 174.221 174.600 0.066 0.000 1.022 342 S CA -0.287 57.983 58.200 0.117 0.000 0.967 342 S CB 0.142 63.419 63.200 0.129 0.000 0.914 342 S HN 0.758 nan 8.310 nan 0.000 0.515 343 D N 1.202 121.646 120.400 0.073 0.000 2.339 343 D HA 0.106 4.745 4.640 -0.000 0.000 0.245 343 D C 1.251 177.580 176.300 0.048 0.000 1.115 343 D CA -0.436 53.605 54.000 0.067 0.000 0.917 343 D CB 1.306 42.150 40.800 0.073 0.000 1.192 343 D HN -0.008 nan 8.370 nan 0.000 0.428 344 V N 0.439 120.380 119.914 0.045 0.000 2.725 344 V HA 0.076 4.196 4.120 -0.000 0.000 0.247 344 V C 0.174 176.270 176.094 0.004 0.000 1.058 344 V CA 0.960 63.268 62.300 0.014 0.000 1.080 344 V CB 0.102 31.924 31.823 -0.002 0.000 0.713 344 V HN 0.798 nan 8.190 nan 0.000 0.465 345 C N -0.196 119.112 119.300 0.014 0.000 2.752 345 C HA 0.774 5.234 4.460 -0.000 0.000 0.360 345 C C 0.719 175.722 174.990 0.022 0.000 1.081 345 C CA -0.083 58.936 59.018 0.001 0.000 1.272 345 C CB 0.917 28.633 27.740 -0.040 0.000 1.754 345 C HN 0.559 nan 8.230 nan 0.000 0.483 346 A N 4.114 126.946 122.820 0.019 0.000 2.538 346 A HA 0.338 4.658 4.320 -0.000 0.000 0.269 346 A C 1.267 178.857 177.584 0.011 0.000 1.231 346 A CA 0.451 52.501 52.037 0.023 0.000 0.948 346 A CB -0.033 18.985 19.000 0.029 0.000 1.110 346 A HN 0.903 nan 8.150 nan 0.000 0.529 347 V N 1.159 121.073 119.914 0.001 0.000 2.287 347 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 347 V C -0.241 175.851 176.094 -0.004 0.000 1.053 347 V CA 2.742 65.038 62.300 -0.007 0.000 1.027 347 V CB -1.299 30.514 31.823 -0.016 0.000 0.646 347 V HN 0.392 nan 8.190 nan 0.000 0.447 348 P HA -0.133 nan 4.420 nan 0.000 0.216 348 P C 1.596 178.898 177.300 0.002 0.000 1.150 348 P CA 2.019 65.123 63.100 0.007 0.000 0.837 348 P CB -0.132 31.580 31.700 0.021 0.000 0.786 349 A N -0.097 122.724 122.820 0.002 0.000 1.968 349 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 349 A C 2.306 179.886 177.584 -0.007 0.000 1.169 349 A CA 1.560 53.593 52.037 -0.006 0.000 0.638 349 A CB -1.480 17.517 19.000 -0.005 0.000 0.812 349 A HN 0.171 nan 8.150 nan 0.000 0.446 350 A N -0.135 122.684 122.820 -0.003 0.000 1.940 350 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 350 A C 2.380 179.959 177.584 -0.008 0.000 1.176 350 A CA 1.992 54.026 52.037 -0.004 0.000 0.631 350 A CB -1.384 17.614 19.000 -0.004 0.000 0.814 350 A HN 0.718 nan 8.150 nan 0.000 0.446 351 G N -0.523 108.271 108.800 -0.010 0.000 2.440 351 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 351 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 351 G C 1.680 176.575 174.900 -0.008 0.000 1.154 351 G CA 1.634 46.727 45.100 -0.011 0.000 0.767 351 G HN 0.967 nan 8.290 nan 0.000 0.552 352 V N 0.425 120.332 119.914 -0.011 0.000 2.427 352 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 352 V C 2.764 178.844 176.094 -0.024 0.000 1.051 352 V CA 2.195 64.484 62.300 -0.018 0.000 1.048 352 V CB -0.388 31.420 31.823 -0.024 0.000 0.666 352 V HN 0.169 nan 8.190 nan 0.000 0.456 353 V N 0.222 120.124 119.914 -0.020 0.000 2.407 353 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 353 V C 2.653 178.731 176.094 -0.026 0.000 1.055 353 V CA 2.087 64.373 62.300 -0.023 0.000 1.049 353 V CB -0.618 31.198 31.823 -0.012 0.000 0.662 353 V HN 0.487 nan 8.190 nan 0.000 0.455 354 V N 0.068 119.973 119.914 -0.016 0.000 2.295 354 V HA -0.289 3.830 4.120 -0.000 0.000 0.246 354 V C 2.439 178.521 176.094 -0.020 0.000 1.049 354 V CA 2.192 64.486 62.300 -0.011 0.000 1.024 354 V CB -0.718 31.104 31.823 -0.003 0.000 0.648 354 V HN 0.627 nan 8.190 nan 0.000 0.447 355 E N -0.274 119.914 120.200 -0.019 0.000 2.070 355 E HA -0.241 4.108 4.350 -0.000 0.000 0.197 355 E C 2.306 178.876 176.600 -0.050 0.000 1.004 355 E CA 1.903 58.289 56.400 -0.023 0.000 0.805 355 E CB -0.398 29.291 29.700 -0.018 0.000 0.744 355 E HN 0.528 nan 8.360 nan 0.000 0.451 356 T N 0.766 115.281 114.554 -0.065 0.000 2.652 356 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 356 T C 1.763 176.358 174.700 -0.176 0.000 1.039 356 T CA 1.293 63.327 62.100 -0.111 0.000 1.153 356 T CB -0.060 68.748 68.868 -0.100 0.000 0.863 356 T HN 0.046 nan 8.240 nan 0.000 0.428 357 M N 0.685 120.204 119.600 -0.135 0.000 2.108 357 M HA -0.031 4.449 4.480 -0.000 0.000 0.261 357 M C 2.438 178.664 176.300 -0.124 0.000 1.066 357 M CA 1.088 56.302 55.300 -0.143 0.000 1.107 357 M CB -1.539 31.039 32.600 -0.036 0.000 1.356 357 M HN 0.124 nan 8.290 nan 0.000 0.406 358 V N 0.397 120.272 119.914 -0.066 0.000 2.295 358 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 358 V C 2.674 178.736 176.094 -0.052 0.000 1.049 358 V CA 1.814 64.096 62.300 -0.030 0.000 1.024 358 V CB -1.320 30.501 31.823 -0.003 0.000 0.648 358 V HN 0.496 nan 8.190 nan 0.000 0.447 359 A N -0.396 122.377 122.820 -0.078 0.000 1.908 359 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 359 A C 2.218 179.722 177.584 -0.132 0.000 1.181 359 A CA 1.956 53.952 52.037 -0.069 0.000 0.627 359 A CB -0.557 18.403 19.000 -0.066 0.000 0.818 359 A HN 0.504 nan 8.150 nan 0.000 0.445 360 L N -0.772 120.255 121.223 -0.327 0.000 1.994 360 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 360 L C 2.578 179.242 176.870 -0.344 0.000 1.071 360 L CA 1.300 55.751 54.840 -0.648 0.000 0.745 360 L CB -0.608 40.508 42.059 -1.571 0.000 0.892 360 L HN 0.249 nan 8.230 nan 0.000 0.431 361 V N -0.356 119.477 119.914 -0.135 0.000 2.287 361 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 361 V C 2.428 178.586 176.094 0.106 0.000 1.053 361 V CA 1.435 63.817 62.300 0.137 0.000 1.027 361 V CB -0.442 31.462 31.823 0.135 0.000 0.646 361 V HN 0.264 nan 8.190 nan 0.000 0.447 362 L N 0.268 121.528 121.223 0.063 0.000 2.046 362 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 362 L C 2.580 179.540 176.870 0.150 0.000 1.077 362 L CA 2.324 57.222 54.840 0.096 0.000 0.747 362 L CB -1.578 40.530 42.059 0.081 0.000 0.896 362 L HN 0.331 nan 8.230 nan 0.000 0.432 363 A N -0.996 121.908 122.820 0.141 0.000 1.930 363 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 363 A C 2.525 180.149 177.584 0.067 0.000 1.175 363 A CA 1.364 53.515 52.037 0.190 0.000 0.627 363 A CB -0.472 18.592 19.000 0.107 0.000 0.815 363 A HN 0.342 nan 8.150 nan 0.000 0.443 364 R N -0.099 120.464 120.500 0.104 0.000 2.066 364 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 364 R C 2.281 178.616 176.300 0.058 0.000 1.131 364 R CA 1.530 57.696 56.100 0.110 0.000 0.955 364 R CB -0.492 29.964 30.300 0.261 0.000 0.851 364 R HN 0.410 nan 8.270 nan 0.000 0.432 365 A N 0.924 123.789 122.820 0.074 0.000 1.902 365 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 365 A C 2.396 179.972 177.584 -0.014 0.000 1.181 365 A CA 1.780 53.828 52.037 0.018 0.000 0.623 365 A CB -0.727 18.291 19.000 0.030 0.000 0.818 365 A HN 0.538 nan 8.150 nan 0.000 0.443 366 A N -0.231 122.655 122.820 0.110 0.000 1.883 366 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 366 A C 2.165 179.884 177.584 0.226 0.000 1.186 366 A CA 1.598 53.788 52.037 0.254 0.000 0.624 366 A CB -0.653 18.674 19.000 0.545 0.000 0.822 366 A HN 0.477 nan 8.150 nan 0.000 0.444 367 L N -0.806 120.499 121.223 0.137 0.000 2.141 367 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 367 L C 2.660 179.521 176.870 -0.016 0.000 1.094 367 L CA 1.035 55.905 54.840 0.049 0.000 0.763 367 L CB -0.480 41.510 42.059 -0.115 0.000 0.908 367 L HN 0.324 nan 8.230 nan 0.000 0.437 368 E N 0.526 120.687 120.200 -0.066 0.000 2.038 368 E HA -0.273 4.076 4.350 -0.000 0.000 0.195 368 E C 2.114 178.598 176.600 -0.193 0.000 1.000 368 E CA 1.486 57.814 56.400 -0.120 0.000 0.803 368 E CB -0.036 29.585 29.700 -0.133 0.000 0.750 368 E HN 0.404 nan 8.360 nan 0.000 0.448 369 K N -0.573 119.628 120.400 -0.332 0.000 2.031 369 K HA -0.047 4.272 4.320 -0.000 0.000 0.205 369 K C 1.921 178.224 176.600 -0.495 0.000 1.049 369 K CA 1.024 56.975 56.287 -0.562 0.000 0.939 369 K CB -0.136 31.775 32.500 -0.981 0.000 0.717 369 K HN 0.031 nan 8.250 nan 0.000 0.438 370 F N 0.796 120.718 119.950 -0.047 0.000 2.776 370 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 370 F C 1.443 177.252 175.800 0.016 0.000 1.116 370 F CA -0.008 57.985 58.000 -0.011 0.000 1.375 370 F CB 0.282 39.303 39.000 0.034 0.000 1.109 370 F HN 0.321 nan 8.300 nan 0.000 0.585 371 G N 0.873 109.745 108.800 0.120 0.000 2.578 371 G HA2 0.096 4.056 3.960 -0.000 0.000 0.284 371 G HA3 0.096 4.056 3.960 -0.000 0.000 0.284 371 G C 0.341 175.309 174.900 0.113 0.000 1.283 371 G CA -0.137 45.009 45.100 0.076 0.000 0.944 371 G HN 1.291 nan 8.290 nan 0.000 0.558 372 G N -2.378 106.470 108.800 0.080 0.000 2.719 372 G HA2 0.277 4.237 3.960 -0.000 0.000 0.686 372 G HA3 0.277 4.237 3.960 -0.000 0.000 0.686 372 G C -0.063 174.870 174.900 0.055 0.000 1.201 372 G CA 0.716 45.864 45.100 0.080 0.000 0.768 372 G HN 1.165 nan 8.290 nan 0.000 0.629 373 D N -0.526 119.902 120.400 0.047 0.000 2.454 373 D HA 0.190 4.830 4.640 -0.000 0.000 0.219 373 D C 1.436 177.762 176.300 0.043 0.000 1.081 373 D CA 1.301 55.320 54.000 0.033 0.000 0.867 373 D CB 0.701 41.515 40.800 0.022 0.000 1.054 373 D HN 0.885 nan 8.370 nan 0.000 0.500 374 S N -0.048 115.689 115.700 0.060 0.000 2.568 374 S HA 0.291 4.761 4.470 -0.000 0.000 0.293 374 S C 0.752 175.412 174.600 0.100 0.000 1.089 374 S CA -0.738 57.504 58.200 0.070 0.000 0.945 374 S CB 2.607 65.839 63.200 0.053 0.000 1.077 374 S HN -0.092 nan 8.310 nan 0.000 0.485 375 L N 2.354 123.649 121.223 0.120 0.000 2.021 375 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 375 L C 2.626 179.540 176.870 0.074 0.000 1.074 375 L CA 2.794 57.714 54.840 0.134 0.000 0.760 375 L CB -1.363 40.768 42.059 0.120 0.000 0.889 375 L HN 1.002 nan 8.230 nan 0.000 0.433 376 A N -0.996 121.856 122.820 0.053 0.000 1.908 376 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 376 A C 2.342 179.946 177.584 0.034 0.000 1.181 376 A CA 2.007 54.063 52.037 0.031 0.000 0.627 376 A CB -0.763 18.254 19.000 0.028 0.000 0.818 376 A HN 0.678 nan 8.150 nan 0.000 0.445 377 E N -0.869 119.361 120.200 0.050 0.000 2.047 377 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 377 E C 1.944 178.584 176.600 0.066 0.000 0.987 377 E CA 1.577 58.009 56.400 0.053 0.000 0.799 377 E CB -0.200 29.533 29.700 0.055 0.000 0.752 377 E HN 0.529 nan 8.360 nan 0.000 0.449 378 T N 0.961 115.572 114.554 0.096 0.000 2.759 378 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 378 T C 1.829 176.542 174.700 0.021 0.000 1.042 378 T CA 1.549 63.724 62.100 0.126 0.000 1.140 378 T CB -0.174 68.841 68.868 0.245 0.000 0.864 378 T HN 0.274 nan 8.240 nan 0.000 0.455 379 Q N 0.303 120.096 119.800 -0.011 0.000 2.119 379 Q HA 0.015 4.355 4.340 -0.000 0.000 0.201 379 Q C 2.637 178.598 176.000 -0.065 0.000 0.972 379 Q CA 1.012 56.767 55.803 -0.080 0.000 0.847 379 Q CB -0.096 28.603 28.738 -0.065 0.000 0.903 379 Q HN 0.417 nan 8.270 nan 0.000 0.433 380 R N 0.497 120.987 120.500 -0.017 0.000 2.083 380 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 380 R C 1.878 178.186 176.300 0.012 0.000 1.137 380 R CA 1.558 57.658 56.100 -0.001 0.000 0.951 380 R CB -0.127 30.183 30.300 0.018 0.000 0.851 380 R HN 0.271 nan 8.270 nan 0.000 0.434 381 N N 0.449 119.171 118.700 0.037 0.000 2.244 381 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 381 N C 1.759 177.308 175.510 0.067 0.000 1.016 381 N CA 1.134 54.244 53.050 0.099 0.000 0.866 381 N CB -0.138 38.453 38.487 0.174 0.000 0.980 381 N HN 0.222 nan 8.380 nan 0.000 0.430 382 I N 1.024 121.483 120.570 -0.186 0.000 2.202 382 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 382 I C 2.273 178.304 176.117 -0.143 0.000 1.091 382 I CA 0.975 61.972 61.300 -0.505 0.000 1.368 382 I CB -0.279 37.292 38.000 -0.715 0.000 1.058 382 I HN 0.058 nan 8.210 nan 0.000 0.410 383 A N 0.619 123.384 122.820 -0.091 0.000 1.940 383 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 383 A C 2.497 180.088 177.584 0.011 0.000 1.176 383 A CA 2.041 54.055 52.037 -0.038 0.000 0.631 383 A CB -0.882 18.097 19.000 -0.036 0.000 0.814 383 A HN 0.445 nan 8.150 nan 0.000 0.446 384 A N -1.697 121.154 122.820 0.052 0.000 1.897 384 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 384 A C 2.138 179.792 177.584 0.118 0.000 1.181 384 A CA 1.540 53.622 52.037 0.075 0.000 0.620 384 A CB -0.776 18.279 19.000 0.092 0.000 0.821 384 A HN 0.731 nan 8.150 nan 0.000 0.443 385 Y N 0.637 120.981 120.300 0.073 0.000 2.181 385 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 385 Y C 2.508 178.458 175.900 0.084 0.000 1.146 385 Y CA 2.197 60.373 58.100 0.127 0.000 1.164 385 Y CB -0.149 38.495 38.460 0.307 0.000 0.982 385 Y HN 0.328 nan 8.280 nan 0.000 0.515 386 Q N 0.309 120.087 119.800 -0.036 0.000 2.079 386 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 386 Q C 2.352 178.270 176.000 -0.136 0.000 0.974 386 Q CA 1.635 57.357 55.803 -0.134 0.000 0.840 386 Q CB -0.388 28.325 28.738 -0.041 0.000 0.898 386 Q HN 0.528 nan 8.270 nan 0.000 0.430 387 R N 0.839 121.293 120.500 -0.077 0.000 2.083 387 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 387 R C 2.660 178.911 176.300 -0.080 0.000 1.137 387 R CA 1.803 57.867 56.100 -0.061 0.000 0.951 387 R CB -0.473 29.811 30.300 -0.027 0.000 0.851 387 R HN 0.344 nan 8.270 nan 0.000 0.434 388 S N 0.449 116.094 115.700 -0.091 0.000 2.400 388 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 388 S C 2.140 176.647 174.600 -0.156 0.000 1.025 388 S CA 1.432 59.575 58.200 -0.095 0.000 0.993 388 S CB -0.568 62.603 63.200 -0.048 0.000 0.808 388 S HN 0.316 nan 8.310 nan 0.000 0.478 389 V N 0.039 119.789 119.914 -0.274 0.000 2.649 389 V HA 0.346 4.466 4.120 -0.000 0.000 0.248 389 V C 2.604 178.622 176.094 -0.127 0.000 1.054 389 V CA 1.113 63.271 62.300 -0.237 0.000 1.073 389 V CB -1.249 30.369 31.823 -0.342 0.000 0.699 389 V HN 0.544 nan 8.190 nan 0.000 0.463 390 A N 0.731 123.486 122.820 -0.109 0.000 1.873 390 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 390 A C 1.488 179.044 177.584 -0.047 0.000 1.186 390 A CA 1.698 53.697 52.037 -0.063 0.000 0.616 390 A CB -0.845 18.123 19.000 -0.053 0.000 0.823 390 A HN 0.605 nan 8.150 nan 0.000 0.442 391 D N 0.705 121.076 120.400 -0.049 0.000 2.977 391 D HA 0.268 4.908 4.640 -0.000 0.000 0.241 391 D C 0.515 176.797 176.300 -0.030 0.000 1.206 391 D CA 0.359 54.340 54.000 -0.032 0.000 0.902 391 D CB -0.398 40.386 40.800 -0.027 0.000 1.131 391 D HN 0.724 nan 8.370 nan 0.000 0.447 392 R N 0.000 120.482 120.500 -0.031 0.000 2.786 392 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 392 R CA 0.000 56.086 56.100 -0.023 0.000 0.921 392 R CB 0.000 30.285 30.300 -0.026 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535