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 2o12_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRWITAGES HGRALVAVVE GMVAGVHVTS ADIADQLARR RLGYGRXXXX DATA SEQUENCE XXERDAVTVL 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 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.057 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.069 0.000 1.302 2 L N 4.616 125.821 121.223 -0.030 0.000 2.455 2 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 2 L C -0.768 176.077 176.870 -0.041 0.000 1.174 2 L CA 1.149 56.006 54.840 0.028 0.000 0.869 2 L CB 0.321 42.450 42.059 0.117 0.000 1.130 2 L HN 0.672 nan 8.230 nan 0.000 0.474 3 R N 3.905 124.375 120.500 -0.050 0.000 2.771 3 R HA 0.628 4.968 4.340 -0.000 0.000 0.274 3 R C -1.799 174.494 176.300 -0.013 0.000 0.987 3 R CA -0.682 55.237 56.100 -0.302 0.000 0.908 3 R CB 1.735 31.880 30.300 -0.260 0.000 1.213 3 R HN 0.753 nan 8.270 nan 0.000 0.468 4 W N 1.197 122.483 121.300 -0.024 0.000 3.022 4 W HA 0.746 5.406 4.660 -0.000 0.000 0.335 4 W C -1.455 175.054 176.519 -0.017 0.000 1.133 4 W CA -0.956 56.377 57.345 -0.020 0.000 1.219 4 W CB 0.654 30.104 29.460 -0.017 0.000 1.409 4 W HN 0.252 nan 8.180 nan 0.000 0.507 5 I N 2.908 123.578 120.570 0.166 0.000 2.619 5 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 5 I C 0.117 176.290 176.117 0.094 0.000 1.100 5 I CA -0.753 60.594 61.300 0.078 0.000 1.043 5 I CB 2.660 40.672 38.000 0.020 0.000 1.239 5 I HN 0.578 nan 8.210 nan 0.000 0.420 6 T N 2.214 116.814 114.554 0.077 0.000 2.918 6 T HA 0.981 5.331 4.350 -0.000 0.000 0.286 6 T C -0.537 174.173 174.700 0.017 0.000 1.026 6 T CA -0.773 61.355 62.100 0.046 0.000 1.031 6 T CB 2.050 70.946 68.868 0.046 0.000 1.046 6 T HN 0.842 nan 8.240 nan 0.000 0.479 7 A N 0.313 123.131 122.820 -0.003 0.000 2.572 7 A HA 1.025 5.345 4.320 -0.000 0.000 0.295 7 A C 0.071 177.632 177.584 -0.038 0.000 1.072 7 A CA -0.373 51.652 52.037 -0.019 0.000 0.691 7 A CB 1.286 20.274 19.000 -0.021 0.000 1.291 7 A HN 2.322 nan 8.150 nan 0.000 0.404 8 G N 0.343 109.113 108.800 -0.050 0.000 2.402 8 G HA2 0.448 4.408 3.960 -0.000 0.000 0.666 8 G HA3 0.448 4.408 3.960 -0.000 0.000 0.666 8 G C -1.454 173.397 174.900 -0.081 0.000 1.402 8 G CA -0.799 44.257 45.100 -0.073 0.000 0.920 8 G HN 0.835 nan 8.290 nan 0.000 0.651 9 E N 0.009 120.151 120.200 -0.098 0.000 2.212 9 E HA 0.641 4.991 4.350 -0.000 0.000 0.270 9 E C 1.553 178.045 176.600 -0.179 0.000 0.956 9 E CA -0.032 56.296 56.400 -0.120 0.000 0.825 9 E CB 1.587 31.231 29.700 -0.092 0.000 1.167 9 E HN 0.687 nan 8.360 nan 0.000 0.400 10 S N 1.335 116.871 115.700 -0.273 0.000 2.370 10 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 10 S C 0.935 175.195 174.600 -0.567 0.000 1.033 10 S CA 1.469 59.407 58.200 -0.437 0.000 1.011 10 S CB -0.418 62.424 63.200 -0.597 0.000 0.852 10 S HN 0.616 nan 8.310 nan 0.000 0.457 11 H N 1.322 120.178 119.070 -0.357 0.000 2.520 11 H HA 0.495 5.051 4.556 0.000 0.000 0.284 11 H C 1.329 176.612 175.328 -0.075 0.000 1.037 11 H CA -0.206 55.534 56.048 -0.514 0.000 1.168 11 H CB 0.025 28.948 29.762 -1.398 0.000 1.497 11 H HN 0.508 nan 8.280 nan 0.000 0.547 12 G N 0.166 108.983 108.800 0.029 0.000 2.588 12 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.278 12 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.278 12 G C 0.943 175.740 174.900 -0.172 0.000 1.307 12 G CA -0.555 44.571 45.100 0.043 0.000 1.016 12 G HN 0.329 nan 8.290 nan 0.000 0.503 13 R N -0.994 119.042 120.500 -0.773 0.000 2.092 13 R HA 0.242 4.582 4.340 -0.000 0.000 0.231 13 R C 0.862 176.868 176.300 -0.490 0.000 1.119 13 R CA 1.645 57.042 56.100 -1.172 0.000 0.970 13 R CB -0.167 29.255 30.300 -1.463 0.000 0.864 13 R HN 0.680 nan 8.270 nan 0.000 0.440 14 A N -0.781 121.851 122.820 -0.314 0.000 2.601 14 A HA 0.473 4.793 4.320 -0.000 0.000 0.291 14 A C -1.586 175.916 177.584 -0.136 0.000 1.075 14 A CA -0.919 51.008 52.037 -0.184 0.000 0.671 14 A CB 0.888 19.786 19.000 -0.169 0.000 1.277 14 A HN 0.117 nan 8.150 nan 0.000 0.417 15 L N 0.239 121.405 121.223 -0.095 0.000 2.352 15 L HA 0.821 5.161 4.340 -0.000 0.000 0.269 15 L C -0.713 176.123 176.870 -0.057 0.000 1.034 15 L CA -1.116 53.681 54.840 -0.072 0.000 0.806 15 L CB 1.620 43.644 42.059 -0.058 0.000 1.244 15 L HN 0.434 nan 8.230 nan 0.000 0.447 16 V N 0.683 120.572 119.914 -0.042 0.000 2.760 16 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 16 V C -0.385 175.704 176.094 -0.008 0.000 1.077 16 V CA -0.567 61.716 62.300 -0.028 0.000 0.910 16 V CB 1.885 33.689 31.823 -0.031 0.000 1.008 16 V HN 0.879 nan 8.190 nan 0.000 0.424 17 A N 3.991 126.812 122.820 0.002 0.000 2.342 17 A HA 0.926 5.246 4.320 -0.000 0.000 0.323 17 A C -1.000 176.602 177.584 0.030 0.000 1.125 17 A CA -0.580 51.472 52.037 0.025 0.000 0.785 17 A CB 1.672 20.687 19.000 0.025 0.000 1.221 17 A HN 0.739 nan 8.150 nan 0.000 0.463 18 V N 2.614 122.558 119.914 0.049 0.000 2.540 18 V HA 0.489 4.609 4.120 -0.000 0.000 0.302 18 V C -0.543 175.600 176.094 0.082 0.000 1.035 18 V CA -0.547 61.781 62.300 0.046 0.000 0.873 18 V CB 1.677 33.515 31.823 0.025 0.000 0.992 18 V HN 0.651 nan 8.190 nan 0.000 0.428 19 V N 4.145 124.104 119.914 0.074 0.000 2.409 19 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 19 V C -0.180 175.947 176.094 0.056 0.000 1.020 19 V CA -0.458 61.903 62.300 0.103 0.000 0.848 19 V CB 1.673 33.553 31.823 0.096 0.000 0.990 19 V HN 0.970 nan 8.190 nan 0.000 0.430 20 E N 2.834 123.062 120.200 0.046 0.000 2.227 20 E HA 0.606 4.956 4.350 -0.000 0.000 0.268 20 E C 0.762 177.361 176.600 -0.002 0.000 0.907 20 E CA 0.234 56.639 56.400 0.008 0.000 0.786 20 E CB 1.788 31.480 29.700 -0.013 0.000 1.191 20 E HN 0.921 nan 8.360 nan 0.000 0.411 21 G N 3.023 111.811 108.800 -0.019 0.000 2.141 21 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.231 21 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.231 21 G C -0.059 174.802 174.900 -0.065 0.000 0.984 21 G CA 0.303 45.380 45.100 -0.038 0.000 0.660 21 G HN 0.434 nan 8.290 nan 0.000 0.525 22 M N 2.161 121.725 119.600 -0.060 0.000 2.211 22 M HA 0.605 5.085 4.480 -0.000 0.000 0.356 22 M C 1.066 177.323 176.300 -0.072 0.000 1.216 22 M CA -1.029 54.206 55.300 -0.108 0.000 1.134 22 M CB 1.221 33.781 32.600 -0.067 0.000 1.564 22 M HN 1.004 nan 8.290 nan 0.000 0.463 23 V N 3.330 123.188 119.914 -0.093 0.000 2.999 23 V HA 0.575 4.695 4.120 -0.000 0.000 0.307 23 V C 0.496 176.607 176.094 0.029 0.000 1.084 23 V CA -0.678 61.616 62.300 -0.009 0.000 1.155 23 V CB -0.738 31.110 31.823 0.042 0.000 0.975 23 V HN 1.080 nan 8.190 nan 0.000 0.490 24 A N 2.955 125.797 122.820 0.036 0.000 2.366 24 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 24 A C 1.500 179.123 177.584 0.065 0.000 1.084 24 A CA 0.298 52.363 52.037 0.046 0.000 0.794 24 A CB -0.170 18.853 19.000 0.038 0.000 1.034 24 A HN 2.825 nan 8.150 nan 0.000 0.491 25 G N -0.498 108.350 108.800 0.080 0.000 2.175 25 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.244 25 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.244 25 G C 0.120 175.050 174.900 0.051 0.000 0.982 25 G CA 0.039 45.192 45.100 0.090 0.000 0.641 25 G HN 1.363 nan 8.290 nan 0.000 0.527 26 V N 2.997 122.959 119.914 0.080 0.000 2.488 26 V HA 0.377 4.497 4.120 -0.000 0.000 0.277 26 V C 0.483 176.673 176.094 0.159 0.000 1.046 26 V CA -0.837 61.497 62.300 0.057 0.000 0.986 26 V CB 0.903 32.807 31.823 0.135 0.000 0.989 26 V HN 0.328 nan 8.190 nan 0.000 0.475 27 H N 3.740 122.839 119.070 0.049 0.000 2.800 27 H HA 0.591 5.147 4.556 -0.000 0.000 0.291 27 H C -0.072 175.278 175.328 0.036 0.000 1.076 27 H CA -0.183 55.888 56.048 0.038 0.000 1.452 27 H CB 1.125 30.903 29.762 0.026 0.000 1.461 27 H HN 0.421 nan 8.280 nan 0.000 0.488 28 V N 3.616 123.622 119.914 0.153 0.000 3.000 28 V HA 0.539 4.659 4.120 -0.000 0.000 0.300 28 V C -0.588 175.543 176.094 0.063 0.000 1.251 28 V CA -0.412 61.943 62.300 0.092 0.000 0.972 28 V CB 2.472 34.341 31.823 0.077 0.000 1.065 28 V HN 1.005 nan 8.190 nan 0.000 0.431 29 T N 1.635 116.216 114.554 0.045 0.000 2.907 29 T HA 0.477 4.827 4.350 -0.000 0.000 0.290 29 T C 0.953 175.667 174.700 0.024 0.000 1.066 29 T CA 0.138 62.258 62.100 0.032 0.000 1.012 29 T CB 1.682 70.565 68.868 0.025 0.000 1.184 29 T HN 0.674 nan 8.240 nan 0.000 0.522 30 S N 0.574 116.286 115.700 0.020 0.000 2.383 30 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 30 S C 2.431 177.039 174.600 0.013 0.000 1.030 30 S CA 1.328 59.537 58.200 0.015 0.000 1.002 30 S CB -0.970 62.239 63.200 0.014 0.000 0.829 30 S HN 0.930 nan 8.310 nan 0.000 0.467 31 A N 2.173 125.002 122.820 0.014 0.000 1.902 31 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 31 A C 1.836 179.427 177.584 0.013 0.000 1.181 31 A CA 1.635 53.679 52.037 0.012 0.000 0.623 31 A CB -0.645 18.362 19.000 0.012 0.000 0.818 31 A HN 0.364 nan 8.150 nan 0.000 0.443 32 D N 0.202 120.612 120.400 0.016 0.000 2.104 32 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 32 D C 1.865 178.172 176.300 0.011 0.000 0.994 32 D CA 1.383 55.393 54.000 0.016 0.000 0.830 32 D CB -0.388 40.426 40.800 0.024 0.000 0.959 32 D HN 0.543 nan 8.370 nan 0.000 0.452 33 I N 1.298 121.875 120.570 0.011 0.000 2.179 33 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 33 I C 2.556 178.675 176.117 0.004 0.000 1.088 33 I CA 1.121 62.424 61.300 0.006 0.000 1.357 33 I CB -0.264 37.740 38.000 0.006 0.000 1.051 33 I HN -0.082 nan 8.210 nan 0.000 0.409 34 A N 0.500 123.323 122.820 0.006 0.000 1.908 34 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 34 A C 1.942 179.530 177.584 0.006 0.000 1.181 34 A CA 2.140 54.180 52.037 0.006 0.000 0.627 34 A CB -0.628 18.377 19.000 0.008 0.000 0.818 34 A HN 0.353 nan 8.150 nan 0.000 0.445 35 D N -0.416 119.988 120.400 0.007 0.000 2.123 35 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 35 D C 2.161 178.463 176.300 0.004 0.000 0.992 35 D CA 1.301 55.305 54.000 0.006 0.000 0.833 35 D CB -0.272 40.532 40.800 0.007 0.000 0.954 35 D HN 0.388 nan 8.370 nan 0.000 0.455 36 Q N -0.007 119.794 119.800 0.001 0.000 2.119 36 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 36 Q C 2.619 178.617 176.000 -0.004 0.000 0.972 36 Q CA 0.352 56.153 55.803 -0.003 0.000 0.847 36 Q CB -0.237 28.496 28.738 -0.008 0.000 0.903 36 Q HN 0.391 nan 8.270 nan 0.000 0.433 37 L N 0.130 121.351 121.223 -0.003 0.000 2.083 37 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 37 L C 2.433 179.304 176.870 0.001 0.000 1.083 37 L CA 1.048 55.886 54.840 -0.003 0.000 0.752 37 L CB -0.628 41.429 42.059 -0.003 0.000 0.899 37 L HN 0.113 nan 8.230 nan 0.000 0.433 38 A N 0.225 123.047 122.820 0.005 0.000 1.902 38 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 38 A C 2.371 179.960 177.584 0.009 0.000 1.181 38 A CA 1.440 53.482 52.037 0.009 0.000 0.623 38 A CB -0.461 18.545 19.000 0.010 0.000 0.818 38 A HN 0.331 nan 8.150 nan 0.000 0.443 39 R N -0.998 119.506 120.500 0.007 0.000 2.096 39 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 39 R C 2.392 178.696 176.300 0.007 0.000 1.127 39 R CA 1.362 57.466 56.100 0.007 0.000 0.968 39 R CB -0.322 29.980 30.300 0.004 0.000 0.861 39 R HN 0.504 nan 8.270 nan 0.000 0.440 40 R N 1.127 121.628 120.500 0.002 0.000 2.241 40 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 40 R C 1.509 177.811 176.300 0.003 0.000 1.101 40 R CA 1.041 57.141 56.100 -0.001 0.000 0.995 40 R CB 0.109 30.405 30.300 -0.007 0.000 0.870 40 R HN 0.166 nan 8.270 nan 0.000 0.463 41 R N -0.061 120.444 120.500 0.008 0.000 2.317 41 R HA 0.161 4.501 4.340 -0.000 0.000 0.208 41 R C 0.233 176.544 176.300 0.020 0.000 0.914 41 R CA -0.136 55.972 56.100 0.012 0.000 1.060 41 R CB 0.190 30.499 30.300 0.014 0.000 1.015 41 R HN 0.124 nan 8.270 nan 0.000 0.498 42 L N 0.667 121.903 121.223 0.021 0.000 2.461 42 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 42 L C 0.650 177.543 176.870 0.038 0.000 1.197 42 L CA 0.321 55.180 54.840 0.031 0.000 0.836 42 L CB 0.757 42.834 42.059 0.029 0.000 1.105 42 L HN 0.272 nan 8.230 nan 0.000 0.477 43 G N 1.391 110.226 108.800 0.058 0.000 2.634 43 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.568 43 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.568 43 G C -1.608 173.360 174.900 0.113 0.000 1.495 43 G CA -0.965 44.181 45.100 0.077 0.000 0.903 43 G HN 0.411 nan 8.290 nan 0.000 0.646 44 Y N 1.925 122.231 120.300 0.010 0.000 2.442 44 Y HA 0.445 4.995 4.550 -0.000 0.000 0.330 44 Y C 1.396 177.303 175.900 0.010 0.000 1.129 44 Y CA 1.017 59.123 58.100 0.010 0.000 1.365 44 Y CB 1.273 39.739 38.460 0.009 0.000 1.233 44 Y HN 2.211 nan 8.280 nan 0.000 0.529 45 G N 4.345 112.793 108.800 -0.587 0.000 2.163 45 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.213 45 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.213 45 G C 0.230 175.008 174.900 -0.203 0.000 0.991 45 G CA -0.306 44.517 45.100 -0.462 0.000 0.653 45 G HN 0.572 nan 8.290 nan 0.000 0.518 54 R N 0.769 121.279 120.500 0.017 0.000 2.152 54 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 54 R C 1.409 177.717 176.300 0.013 0.000 1.117 54 R CA 1.324 57.432 56.100 0.014 0.000 0.981 54 R CB 0.030 30.338 30.300 0.013 0.000 0.870 54 R HN 0.340 nan 8.270 nan 0.000 0.451 55 D N 0.463 120.872 120.400 0.016 0.000 2.350 55 D HA -0.043 4.596 4.640 -0.000 0.000 0.216 55 D C 1.477 177.785 176.300 0.014 0.000 0.968 55 D CA 0.707 54.716 54.000 0.015 0.000 0.894 55 D CB 0.138 40.949 40.800 0.018 0.000 0.909 55 D HN 0.243 nan 8.370 nan 0.000 0.520 56 A N -0.392 122.436 122.820 0.014 0.000 2.119 56 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 56 A C 0.985 178.569 177.584 0.000 0.000 1.153 56 A CA 0.251 52.294 52.037 0.010 0.000 0.692 56 A CB 0.005 19.013 19.000 0.014 0.000 0.799 56 A HN 0.102 nan 8.150 nan 0.000 0.458 57 V N 1.507 121.422 119.914 0.002 0.000 2.488 57 V HA 0.350 4.470 4.120 -0.000 0.000 0.277 57 V C -0.110 175.984 176.094 -0.001 0.000 1.046 57 V CA 0.147 62.447 62.300 -0.001 0.000 0.986 57 V CB 0.917 32.742 31.823 0.002 0.000 0.989 57 V HN 0.312 nan 8.190 nan 0.000 0.475 58 T N 4.315 118.866 114.554 -0.005 0.000 2.881 58 T HA 0.372 4.722 4.350 -0.000 0.000 0.291 58 T C -0.358 174.340 174.700 -0.005 0.000 0.990 58 T CA -0.435 61.662 62.100 -0.004 0.000 0.976 58 T CB 1.571 70.434 68.868 -0.008 0.000 0.970 58 T HN 0.283 nan 8.240 nan 0.000 0.438 59 V N 5.408 125.322 119.914 -0.000 0.000 2.427 59 V HA 0.176 4.296 4.120 -0.000 0.000 0.268 59 V C 1.157 177.249 176.094 -0.004 0.000 1.046 59 V CA 0.035 62.335 62.300 0.000 0.000 0.970 59 V CB 0.394 32.221 31.823 0.005 0.000 1.001 59 V HN 0.856 nan 8.190 nan 0.000 0.476 60 L N 3.734 124.953 121.223 -0.007 0.000 2.298 60 L HA 0.181 4.521 4.340 -0.000 0.000 0.209 60 L C 0.989 177.852 176.870 -0.011 0.000 1.084 60 L CA 0.687 55.521 54.840 -0.010 0.000 0.816 60 L CB 0.261 42.312 42.059 -0.013 0.000 0.967 60 L HN 0.820 nan 8.230 nan 0.000 0.460 61 S N -2.453 113.242 115.700 -0.009 0.000 2.596 61 S HA 0.620 5.090 4.470 -0.000 0.000 0.270 61 S C 0.337 174.933 174.600 -0.007 0.000 1.155 61 S CA -0.043 58.151 58.200 -0.010 0.000 0.827 61 S CB 1.819 65.013 63.200 -0.009 0.000 1.130 61 S HN 0.297 nan 8.310 nan 0.000 0.467 62 G N 0.236 109.030 108.800 -0.010 0.000 2.176 62 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.253 62 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.253 62 G C -0.166 174.734 174.900 0.000 0.000 0.979 62 G CA 0.339 45.436 45.100 -0.004 0.000 0.641 62 G HN 1.115 nan 8.290 nan 0.000 0.530 63 I N -0.319 120.247 120.570 -0.006 0.000 2.569 63 I HA 0.584 4.754 4.170 -0.000 0.000 0.290 63 I C -0.068 176.029 176.117 -0.033 0.000 1.088 63 I CA -0.976 60.324 61.300 -0.001 0.000 1.047 63 I CB 2.332 40.341 38.000 0.015 0.000 1.237 63 I HN 0.116 nan 8.210 nan 0.000 0.421 64 R N 4.623 125.093 120.500 -0.049 0.000 2.532 64 R HA 0.426 4.766 4.340 -0.000 0.000 0.297 64 R C -0.549 175.701 176.300 -0.083 0.000 0.984 64 R CA -0.511 55.495 56.100 -0.157 0.000 0.884 64 R CB 0.737 30.897 30.300 -0.232 0.000 1.182 64 R HN 0.811 nan 8.270 nan 0.000 0.442 65 H N 2.730 121.798 119.070 -0.003 0.000 2.741 65 H HA -0.215 4.341 4.556 -0.000 0.000 0.305 65 H C 0.847 176.155 175.328 -0.033 0.000 1.169 65 H CA 0.729 56.767 56.048 -0.017 0.000 1.144 65 H CB -0.851 28.899 29.762 -0.019 0.000 1.397 65 H HN 1.147 nan 8.280 nan 0.000 0.409 66 G N -0.439 108.408 108.800 0.078 0.000 2.148 66 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 66 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 66 G C 0.123 175.057 174.900 0.058 0.000 0.981 66 G CA 0.487 45.609 45.100 0.037 0.000 0.670 66 G HN 0.715 nan 8.290 nan 0.000 0.528 67 S N 0.242 115.991 115.700 0.082 0.000 2.532 67 S HA 0.702 5.172 4.470 -0.000 0.000 0.299 67 S C 0.518 175.174 174.600 0.094 0.000 1.105 67 S CA 0.488 58.775 58.200 0.146 0.000 1.018 67 S CB 1.127 64.421 63.200 0.157 0.000 1.021 67 S HN 1.258 nan 8.310 nan 0.000 0.483 68 T N 3.001 117.616 114.554 0.101 0.000 2.932 68 T HA 0.243 4.593 4.350 -0.000 0.000 0.312 68 T C 1.281 176.009 174.700 0.046 0.000 1.071 68 T CA -0.350 61.787 62.100 0.062 0.000 1.128 68 T CB 0.238 69.142 68.868 0.061 0.000 0.984 68 T HN 0.580 nan 8.240 nan 0.000 0.549 69 L N 1.913 123.150 121.223 0.023 0.000 2.477 69 L HA 0.319 4.659 4.340 -0.000 0.000 0.220 69 L C 2.326 179.203 176.870 0.012 0.000 1.106 69 L CA 0.626 55.473 54.840 0.013 0.000 0.851 69 L CB -0.490 41.566 42.059 -0.004 0.000 0.994 69 L HN 1.167 nan 8.230 nan 0.000 0.462 70 G N -0.543 108.265 108.800 0.012 0.000 2.254 70 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 70 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 70 G C 0.620 175.519 174.900 -0.002 0.000 1.003 70 G CA -0.206 44.897 45.100 0.005 0.000 0.622 70 G HN 0.483 nan 8.290 nan 0.000 0.507 71 G N 0.505 109.304 108.800 -0.002 0.000 2.525 71 G HA2 0.638 4.598 3.960 -0.000 0.000 0.287 71 G HA3 0.638 4.598 3.960 -0.000 0.000 0.287 71 G C -2.381 172.517 174.900 -0.003 0.000 1.350 71 G CA -0.680 44.417 45.100 -0.005 0.000 1.039 71 G HN 0.247 nan 8.290 nan 0.000 0.513 72 P HA 0.220 nan 4.420 nan 0.000 0.268 72 P C -0.543 176.760 177.300 0.004 0.000 1.204 72 P CA 0.160 63.261 63.100 0.001 0.000 0.768 72 P CB 0.718 32.416 31.700 -0.003 0.000 0.842 73 I N 2.284 122.861 120.570 0.012 0.000 2.312 73 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 73 I C 0.267 176.392 176.117 0.014 0.000 1.008 73 I CA -0.498 60.810 61.300 0.013 0.000 1.226 73 I CB 1.188 39.200 38.000 0.020 0.000 1.371 73 I HN 0.287 nan 8.210 nan 0.000 0.468 74 A N 8.167 130.990 122.820 0.006 0.000 2.303 74 A HA 0.853 5.173 4.320 -0.000 0.000 0.320 74 A C -0.657 176.928 177.584 0.000 0.000 1.192 74 A CA -0.429 51.610 52.037 0.003 0.000 0.821 74 A CB 0.645 19.643 19.000 -0.004 0.000 1.188 74 A HN 0.678 nan 8.150 nan 0.000 0.492 75 I N 1.641 122.211 120.570 0.000 0.000 2.436 75 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 75 I C -0.023 176.087 176.117 -0.012 0.000 1.010 75 I CA -0.254 61.044 61.300 -0.003 0.000 1.098 75 I CB 2.062 40.063 38.000 0.001 0.000 1.266 75 I HN 0.803 nan 8.210 nan 0.000 0.434 76 E N 6.834 127.023 120.200 -0.018 0.000 2.191 76 E HA 0.613 4.963 4.350 -0.000 0.000 0.274 76 E C -1.317 175.266 176.600 -0.028 0.000 0.948 76 E CA -0.659 55.724 56.400 -0.030 0.000 0.802 76 E CB 1.657 31.335 29.700 -0.037 0.000 1.137 76 E HN 0.506 nan 8.360 nan 0.000 0.397 77 I N 3.850 124.398 120.570 -0.036 0.000 2.420 77 I HA 0.324 4.494 4.170 -0.000 0.000 0.282 77 I C 0.532 176.624 176.117 -0.041 0.000 1.019 77 I CA -0.813 60.468 61.300 -0.030 0.000 1.130 77 I CB 1.679 39.663 38.000 -0.027 0.000 1.262 77 I HN 0.557 nan 8.210 nan 0.000 0.454 78 G N 3.539 112.319 108.800 -0.032 0.000 2.527 78 G HA2 0.059 4.019 3.960 -0.000 0.000 0.248 78 G HA3 0.059 4.019 3.960 -0.000 0.000 0.248 78 G C -0.240 174.654 174.900 -0.009 0.000 1.231 78 G CA -0.267 44.810 45.100 -0.038 0.000 0.838 78 G HN 0.614 nan 8.290 nan 0.000 0.570 79 N N -0.296 118.405 118.700 0.001 0.000 2.439 79 N HA 0.131 4.871 4.740 -0.000 0.000 0.249 79 N C 1.575 177.180 175.510 0.157 0.000 1.003 79 N CA 0.017 53.113 53.050 0.075 0.000 0.942 79 N CB 1.184 39.734 38.487 0.105 0.000 1.115 79 N HN 0.392 nan 8.380 nan 0.000 0.505 80 T N 0.376 115.012 114.554 0.137 0.000 2.962 80 T HA -0.017 4.333 4.350 -0.000 0.000 0.270 80 T C 0.680 175.499 174.700 0.198 0.000 1.088 80 T CA 1.047 63.234 62.100 0.146 0.000 1.127 80 T CB -0.066 68.865 68.868 0.104 0.000 0.883 80 T HN 0.562 nan 8.240 nan 0.000 0.493 81 E N -0.354 120.001 120.200 0.258 0.000 2.451 81 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 81 E C 0.992 177.854 176.600 0.437 0.000 1.027 81 E CA -0.568 56.018 56.400 0.310 0.000 0.914 81 E CB -0.144 29.769 29.700 0.355 0.000 1.054 81 E HN 0.677 nan 8.360 nan 0.000 0.461 82 W N 2.364 123.788 121.300 0.207 0.000 2.321 82 W HA -0.130 4.531 4.660 0.000 0.000 0.306 82 W C -1.358 175.265 176.519 0.172 0.000 1.217 82 W CA 1.123 58.592 57.345 0.206 0.000 1.257 82 W CB -0.737 28.795 29.460 0.119 0.000 1.145 82 W HN 0.104 nan 8.180 nan 0.000 0.509 83 P HA -0.201 nan 4.420 nan 0.000 0.217 83 P C 1.182 178.320 177.300 -0.270 0.000 1.148 83 P CA 2.424 65.392 63.100 -0.220 0.000 0.828 83 P CB -0.354 31.309 31.700 -0.061 0.000 0.783 84 K N -2.431 117.849 120.400 -0.199 0.000 2.211 84 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 84 K C 1.263 177.496 176.600 -0.612 0.000 1.050 84 K CA 1.166 57.212 56.287 -0.401 0.000 0.945 84 K CB -0.280 31.943 32.500 -0.462 0.000 0.732 84 K HN 0.302 nan 8.250 nan 0.000 0.451 85 W N 1.182 122.304 121.300 -0.297 0.000 3.008 85 W HA 0.082 4.742 4.660 0.000 0.000 0.355 85 W C 1.433 177.603 176.519 -0.581 0.000 1.095 85 W CA -0.423 56.753 57.345 -0.282 0.000 1.738 85 W CB 0.449 29.896 29.460 -0.022 0.000 1.091 85 W HN 0.135 nan 8.180 nan 0.000 0.574 86 E N -0.539 119.155 120.200 -0.845 0.000 2.265 86 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 86 E C 1.316 177.647 176.600 -0.448 0.000 0.996 86 E CA 1.677 57.327 56.400 -1.250 0.000 0.832 86 E CB -0.350 28.577 29.700 -1.287 0.000 0.756 86 E HN 0.042 nan 8.360 nan 0.000 0.491 87 T N 0.300 114.689 114.554 -0.274 0.000 2.953 87 T HA 0.021 4.371 4.350 -0.000 0.000 0.247 87 T C 1.972 176.648 174.700 -0.041 0.000 1.029 87 T CA 0.731 62.756 62.100 -0.125 0.000 1.144 87 T CB -0.033 68.758 68.868 -0.128 0.000 0.870 87 T HN 0.016 nan 8.240 nan 0.000 0.446 88 V N 1.815 121.713 119.914 -0.027 0.000 2.392 88 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 88 V C 1.878 178.063 176.094 0.151 0.000 1.059 88 V CA 1.284 63.626 62.300 0.071 0.000 1.051 88 V CB -0.389 31.510 31.823 0.128 0.000 0.658 88 V HN 0.446 nan 8.190 nan 0.000 0.455 89 M N -0.409 119.319 119.600 0.213 0.000 2.560 89 M HA 0.388 4.868 4.480 -0.000 0.000 0.297 89 M C 0.663 177.155 176.300 0.320 0.000 1.201 89 M CA -0.562 54.902 55.300 0.275 0.000 0.973 89 M CB -0.507 32.332 32.600 0.398 0.000 1.401 89 M HN 0.265 nan 8.290 nan 0.000 0.497 90 A N 0.450 123.396 122.820 0.209 0.000 2.540 90 A HA 0.412 4.732 4.320 -0.000 0.000 0.239 90 A C 1.493 179.189 177.584 0.186 0.000 1.061 90 A CA 0.755 52.930 52.037 0.230 0.000 0.758 90 A CB 0.281 19.346 19.000 0.110 0.000 0.991 90 A HN 0.581 nan 8.150 nan 0.000 0.502 91 A N 2.115 125.049 122.820 0.190 0.000 1.930 91 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 91 A C 0.844 178.476 177.584 0.080 0.000 1.175 91 A CA 1.269 53.371 52.037 0.110 0.000 0.627 91 A CB -0.224 18.827 19.000 0.084 0.000 0.815 91 A HN 0.812 nan 8.150 nan 0.000 0.443 92 D N -0.284 120.167 120.400 0.084 0.000 2.332 92 D HA 0.465 5.105 4.640 -0.000 0.000 0.252 92 D C -2.517 173.814 176.300 0.051 0.000 1.050 92 D CA -1.423 52.613 54.000 0.060 0.000 0.970 92 D CB 0.202 41.036 40.800 0.056 0.000 1.141 92 D HN -0.008 nan 8.370 nan 0.000 0.485 93 P HA 0.062 nan 4.420 nan 0.000 0.267 93 P C -0.731 176.585 177.300 0.027 0.000 1.200 93 P CA -0.086 63.033 63.100 0.032 0.000 0.772 93 P CB 0.584 32.300 31.700 0.026 0.000 0.855 94 V N 2.319 122.246 119.914 0.021 0.000 2.735 94 V HA 0.201 4.321 4.120 -0.000 0.000 0.310 94 V C -0.456 175.643 176.094 0.007 0.000 1.061 94 V CA -0.920 61.386 62.300 0.011 0.000 0.913 94 V CB 1.873 33.699 31.823 0.005 0.000 1.005 94 V HN 0.613 nan 8.190 nan 0.000 0.428 95 D N 4.528 124.930 120.400 0.002 0.000 2.472 95 D HA 0.029 4.669 4.640 -0.000 0.000 0.248 95 D C -2.017 174.282 176.300 -0.001 0.000 1.174 95 D CA -1.594 52.406 54.000 0.001 0.000 0.883 95 D CB 0.841 41.640 40.800 -0.002 0.000 1.149 95 D HN 0.204 nan 8.370 nan 0.000 0.488 96 P HA -0.140 nan 4.420 nan 0.000 0.219 96 P C 1.241 178.539 177.300 -0.004 0.000 1.146 96 P CA 1.820 64.921 63.100 0.001 0.000 0.808 96 P CB 0.163 31.866 31.700 0.005 0.000 0.779 97 A N -0.001 122.816 122.820 -0.005 0.000 1.873 97 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 97 A C 2.366 179.942 177.584 -0.014 0.000 1.186 97 A CA 1.647 53.679 52.037 -0.008 0.000 0.616 97 A CB -1.262 17.733 19.000 -0.007 0.000 0.823 97 A HN 0.190 nan 8.150 nan 0.000 0.442 98 E N -0.614 119.577 120.200 -0.016 0.000 2.038 98 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 98 E C 1.877 178.460 176.600 -0.028 0.000 1.000 98 E CA 1.384 57.770 56.400 -0.023 0.000 0.803 98 E CB -0.214 29.472 29.700 -0.023 0.000 0.750 98 E HN 0.336 nan 8.360 nan 0.000 0.448 99 L N 0.989 122.199 121.223 -0.022 0.000 2.079 99 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 99 L C 2.373 179.229 176.870 -0.024 0.000 1.081 99 L CA 2.052 56.878 54.840 -0.024 0.000 0.752 99 L CB -1.000 41.052 42.059 -0.012 0.000 0.896 99 L HN 0.247 nan 8.230 nan 0.000 0.433 100 A N -1.335 121.474 122.820 -0.019 0.000 2.019 100 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 100 A C 1.734 179.303 177.584 -0.024 0.000 1.164 100 A CA 1.681 53.708 52.037 -0.017 0.000 0.644 100 A CB -0.513 18.480 19.000 -0.012 0.000 0.805 100 A HN 0.452 nan 8.150 nan 0.000 0.449 101 D N -0.590 119.793 120.400 -0.029 0.000 2.349 101 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 101 D C -0.186 176.085 176.300 -0.049 0.000 1.029 101 D CA 0.338 54.316 54.000 -0.036 0.000 0.879 101 D CB 0.253 41.032 40.800 -0.035 0.000 0.906 101 D HN 0.150 nan 8.370 nan 0.000 0.528 102 V N 1.497 121.378 119.914 -0.054 0.000 2.333 102 V HA 0.306 4.426 4.120 -0.000 0.000 0.274 102 V C 1.362 177.411 176.094 -0.074 0.000 1.028 102 V CA -0.481 61.773 62.300 -0.075 0.000 0.851 102 V CB 1.148 32.919 31.823 -0.087 0.000 1.000 102 V HN 0.024 nan 8.190 nan 0.000 0.456 103 A N 5.064 127.835 122.820 -0.081 0.000 1.908 103 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 103 A C 2.203 179.739 177.584 -0.081 0.000 1.181 103 A CA 1.880 53.874 52.037 -0.072 0.000 0.627 103 A CB -0.421 18.534 19.000 -0.075 0.000 0.818 103 A HN 0.800 nan 8.150 nan 0.000 0.445 104 R N -0.446 119.977 120.500 -0.129 0.000 2.200 104 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 104 R C 1.313 177.566 176.300 -0.079 0.000 1.127 104 R CA 1.593 57.594 56.100 -0.165 0.000 0.989 104 R CB -0.284 29.811 30.300 -0.342 0.000 0.869 104 R HN 0.550 nan 8.270 nan 0.000 0.459 105 N N 0.031 118.697 118.700 -0.057 0.000 2.383 105 N HA 0.095 4.835 4.740 -0.000 0.000 0.192 105 N C -0.600 174.908 175.510 -0.003 0.000 1.141 105 N CA 0.273 53.315 53.050 -0.012 0.000 0.851 105 N CB 0.374 38.849 38.487 -0.020 0.000 0.976 105 N HN 0.277 nan 8.380 nan 0.000 0.465 106 A N 1.146 123.961 122.820 -0.009 0.000 2.547 106 A HA 0.196 4.516 4.320 -0.000 0.000 0.233 106 A C -1.934 175.657 177.584 0.012 0.000 1.067 106 A CA -0.706 51.330 52.037 -0.001 0.000 0.763 106 A CB -0.363 18.634 19.000 -0.005 0.000 1.007 106 A HN 0.263 nan 8.150 nan 0.000 0.506 107 P HA 0.299 nan 4.420 nan 0.000 0.276 107 P C -1.104 176.210 177.300 0.024 0.000 1.230 107 P CA 0.160 63.271 63.100 0.018 0.000 0.776 107 P CB 0.525 32.237 31.700 0.020 0.000 0.888 108 L N 3.427 124.665 121.223 0.025 0.000 2.313 108 L HA 0.299 4.639 4.340 -0.000 0.000 0.273 108 L C 1.147 178.039 176.870 0.037 0.000 1.028 108 L CA -0.136 54.722 54.840 0.029 0.000 0.871 108 L CB 0.981 43.053 42.059 0.022 0.000 1.242 108 L HN 0.460 nan 8.230 nan 0.000 0.434 109 T N -1.919 112.662 114.554 0.044 0.000 3.091 109 T HA 0.242 4.592 4.350 -0.000 0.000 0.277 109 T C 0.704 175.444 174.700 0.067 0.000 0.996 109 T CA -0.406 61.729 62.100 0.057 0.000 0.897 109 T CB 0.074 68.973 68.868 0.052 0.000 1.109 109 T HN 0.347 nan 8.240 nan 0.000 0.534 110 R N 2.912 123.448 120.500 0.059 0.000 2.396 110 R HA 0.364 4.704 4.340 -0.000 0.000 0.292 110 R C -2.890 173.447 176.300 0.062 0.000 1.240 110 R CA -2.014 54.121 56.100 0.058 0.000 1.270 110 R CB 0.987 31.314 30.300 0.046 0.000 1.108 110 R HN 0.290 nan 8.270 nan 0.000 0.573 111 P HA -0.001 nan 4.420 nan 0.000 0.268 111 P C -0.653 176.691 177.300 0.073 0.000 1.204 111 P CA -0.056 63.105 63.100 0.103 0.000 0.768 111 P CB 0.785 32.600 31.700 0.192 0.000 0.842 112 R N 4.232 124.773 120.500 0.069 0.000 2.316 112 R HA 0.266 4.606 4.340 -0.000 0.000 0.314 112 R C -2.012 174.338 176.300 0.083 0.000 1.069 112 R CA -1.654 54.485 56.100 0.066 0.000 0.959 112 R CB -0.516 29.824 30.300 0.066 0.000 0.987 112 R HN 0.385 nan 8.270 nan 0.000 0.446 113 P HA -0.072 nan 4.420 nan 0.000 0.262 113 P C 0.697 178.028 177.300 0.052 0.000 1.182 113 P CA 0.991 64.109 63.100 0.029 0.000 0.761 113 P CB 0.719 32.421 31.700 0.003 0.000 0.795 114 G N 0.516 109.345 108.800 0.049 0.000 2.217 114 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 114 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 114 G C 0.369 175.293 174.900 0.040 0.000 0.990 114 G CA -0.100 45.020 45.100 0.034 0.000 0.627 114 G HN 0.668 nan 8.290 nan 0.000 0.522 115 H N -0.288 118.802 119.070 0.033 0.000 2.649 115 H HA 0.707 5.263 4.556 -0.000 0.000 0.337 115 H C 1.579 176.947 175.328 0.065 0.000 1.282 115 H CA 0.278 56.350 56.048 0.039 0.000 1.333 115 H CB 1.580 31.359 29.762 0.029 0.000 1.787 115 H HN 0.225 nan 8.280 nan 0.000 0.632 116 A N 0.731 123.814 122.820 0.438 0.000 2.119 116 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 116 A C 1.583 179.306 177.584 0.233 0.000 1.153 116 A CA 1.102 53.306 52.037 0.278 0.000 0.692 116 A CB -0.265 18.896 19.000 0.267 0.000 0.799 116 A HN 0.691 nan 8.150 nan 0.000 0.458 117 D N -0.728 119.803 120.400 0.218 0.000 2.137 117 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 117 D C 1.630 178.048 176.300 0.196 0.000 0.998 117 D CA 2.063 56.157 54.000 0.156 0.000 0.839 117 D CB -0.672 40.195 40.800 0.113 0.000 0.962 117 D HN 0.640 nan 8.370 nan 0.000 0.446 118 Y N 1.319 121.675 120.300 0.094 0.000 2.114 118 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 118 Y C 2.339 178.293 175.900 0.089 0.000 1.143 118 Y CA 2.080 60.229 58.100 0.082 0.000 1.135 118 Y CB -0.569 37.929 38.460 0.063 0.000 0.980 118 Y HN -0.035 nan 8.280 nan 0.000 0.499 119 A N 0.184 123.065 122.820 0.102 0.000 1.933 119 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 119 A C 2.432 180.011 177.584 -0.009 0.000 1.175 119 A CA 1.732 53.750 52.037 -0.031 0.000 0.628 119 A CB -1.710 17.351 19.000 0.102 0.000 0.814 119 A HN 0.635 nan 8.150 nan 0.000 0.444 120 G N -0.829 108.036 108.800 0.109 0.000 2.408 120 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 120 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 120 G C 1.625 176.673 174.900 0.246 0.000 1.150 120 G CA 1.077 46.313 45.100 0.226 0.000 0.776 120 G HN 0.462 nan 8.290 nan 0.000 0.542 121 M N -0.395 119.302 119.600 0.162 0.000 2.086 121 M HA 0.017 4.497 4.480 -0.000 0.000 0.261 121 M C 2.413 178.720 176.300 0.010 0.000 1.067 121 M CA 0.987 56.389 55.300 0.170 0.000 1.116 121 M CB -0.305 32.370 32.600 0.124 0.000 1.348 121 M HN 0.146 nan 8.290 nan 0.000 0.407 122 L N 0.258 121.397 121.223 -0.140 0.000 2.027 122 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 122 L C 2.406 179.175 176.870 -0.168 0.000 1.074 122 L CA 1.781 56.504 54.840 -0.195 0.000 0.745 122 L CB -0.870 40.982 42.059 -0.345 0.000 0.898 122 L HN 0.245 nan 8.230 nan 0.000 0.433 123 K N -1.123 119.180 120.400 -0.161 0.000 2.044 123 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 123 K C 1.828 178.182 176.600 -0.410 0.000 1.049 123 K CA 1.930 58.060 56.287 -0.262 0.000 0.927 123 K CB -0.231 32.116 32.500 -0.254 0.000 0.713 123 K HN 0.270 nan 8.250 nan 0.000 0.443 124 Y N -0.544 119.567 120.300 -0.315 0.000 2.457 124 Y HA 0.210 4.759 4.550 -0.000 0.000 0.263 124 Y C 1.138 176.622 175.900 -0.694 0.000 1.164 124 Y CA 0.474 58.212 58.100 -0.603 0.000 1.274 124 Y CB 0.976 38.830 38.460 -1.009 0.000 1.097 124 Y HN 0.387 nan 8.280 nan 0.000 0.523 125 G N 0.133 108.760 108.800 -0.289 0.000 2.176 125 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 125 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 125 G C -0.292 174.569 174.900 -0.065 0.000 1.024 125 G CA -0.267 44.735 45.100 -0.163 0.000 0.755 125 G HN 0.135 nan 8.290 nan 0.000 0.507 126 F N 0.456 120.443 119.950 0.060 0.000 2.396 126 F HA 0.421 4.948 4.527 -0.000 0.000 0.343 126 F C 1.236 177.053 175.800 0.028 0.000 1.104 126 F CA -1.377 56.650 58.000 0.045 0.000 1.161 126 F CB 1.039 40.065 39.000 0.044 0.000 1.146 126 F HN -0.031 nan 8.300 nan 0.000 0.522 127 D N 0.239 120.778 120.400 0.232 0.000 2.349 127 D HA -0.041 4.599 4.640 -0.000 0.000 0.215 127 D C -0.070 176.291 176.300 0.102 0.000 1.016 127 D CA 0.841 54.920 54.000 0.131 0.000 0.870 127 D CB 0.096 40.953 40.800 0.094 0.000 0.917 127 D HN 0.446 nan 8.370 nan 0.000 0.524 128 D N -0.935 119.520 120.400 0.092 0.000 2.646 128 D HA 0.395 5.035 4.640 -0.000 0.000 0.245 128 D C 0.476 176.769 176.300 -0.012 0.000 1.099 128 D CA -0.798 53.214 54.000 0.020 0.000 0.849 128 D CB 1.823 42.608 40.800 -0.025 0.000 1.448 128 D HN -0.157 nan 8.370 nan 0.000 0.489 129 A N 3.630 126.449 122.820 -0.001 0.000 2.119 129 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 129 A C 1.951 179.483 177.584 -0.087 0.000 1.153 129 A CA 1.172 53.200 52.037 -0.015 0.000 0.692 129 A CB -0.325 18.678 19.000 0.005 0.000 0.799 129 A HN 0.548 nan 8.150 nan 0.000 0.458 130 R N 1.134 121.573 120.500 -0.101 0.000 2.112 130 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 130 R C -0.832 175.357 176.300 -0.185 0.000 1.137 130 R CA 2.663 58.700 56.100 -0.106 0.000 0.944 130 R CB -1.555 28.705 30.300 -0.067 0.000 0.857 130 R HN 0.441 nan 8.270 nan 0.000 0.435 131 P HA -0.103 nan 4.420 nan 0.000 0.220 131 P C 1.207 178.329 177.300 -0.297 0.000 1.148 131 P CA 1.106 63.938 63.100 -0.448 0.000 0.803 131 P CB 0.002 31.084 31.700 -1.031 0.000 0.782 132 V N 0.962 120.753 119.914 -0.205 0.000 2.273 132 V HA -0.200 3.920 4.120 -0.000 0.000 0.242 132 V C 2.750 178.818 176.094 -0.043 0.000 1.035 132 V CA 1.878 64.154 62.300 -0.040 0.000 1.013 132 V CB -1.529 30.341 31.823 0.078 0.000 0.652 132 V HN 0.029 nan 8.190 nan 0.000 0.452 133 L N -0.811 120.365 121.223 -0.078 0.000 2.131 133 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 133 L C 2.190 179.000 176.870 -0.100 0.000 1.092 133 L CA 1.790 56.564 54.840 -0.111 0.000 0.759 133 L CB -1.194 40.756 42.059 -0.183 0.000 0.903 133 L HN 0.174 nan 8.230 nan 0.000 0.435 134 E N 0.648 120.781 120.200 -0.112 0.000 2.118 134 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 134 E C 2.314 178.843 176.600 -0.120 0.000 0.992 134 E CA 1.424 57.742 56.400 -0.136 0.000 0.804 134 E CB -0.131 29.495 29.700 -0.124 0.000 0.741 134 E HN 0.508 nan 8.360 nan 0.000 0.458 135 R N 0.493 120.942 120.500 -0.084 0.000 2.156 135 R HA 0.156 4.496 4.340 -0.000 0.000 0.207 135 R C 1.924 178.213 176.300 -0.018 0.000 1.040 135 R CA 1.168 57.233 56.100 -0.058 0.000 1.013 135 R CB -0.429 29.836 30.300 -0.059 0.000 0.931 135 R HN 0.066 nan 8.270 nan 0.000 0.465 136 A N 0.103 122.934 122.820 0.019 0.000 2.015 136 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 136 A C 1.140 178.784 177.584 0.099 0.000 1.163 136 A CA 0.862 52.950 52.037 0.084 0.000 0.646 136 A CB -0.647 18.456 19.000 0.172 0.000 0.806 136 A HN 0.385 nan 8.150 nan 0.000 0.448 137 S N -0.321 115.417 115.700 0.063 0.000 2.558 137 S HA 0.246 4.716 4.470 -0.000 0.000 0.291 137 S C 1.217 175.820 174.600 0.005 0.000 1.306 137 S CA 0.136 58.363 58.200 0.045 0.000 1.056 137 S CB 0.734 63.894 63.200 -0.067 0.000 0.836 137 S HN 0.973 nan 8.310 nan 0.000 0.504 138 A N 4.437 127.263 122.820 0.011 0.000 2.248 138 A HA -0.000 4.320 4.320 -0.000 0.000 0.210 138 A C 1.985 179.550 177.584 -0.031 0.000 1.174 138 A CA 1.330 53.359 52.037 -0.012 0.000 0.750 138 A CB -0.562 18.431 19.000 -0.011 0.000 0.780 138 A HN 0.940 nan 8.150 nan 0.000 0.478 139 R N 0.902 121.369 120.500 -0.055 0.000 2.139 139 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 139 R C 1.922 178.187 176.300 -0.058 0.000 1.145 139 R CA 1.894 57.950 56.100 -0.074 0.000 0.976 139 R CB -0.439 29.781 30.300 -0.133 0.000 0.866 139 R HN 0.568 nan 8.270 nan 0.000 0.449 140 E N -0.044 120.126 120.200 -0.050 0.000 2.209 140 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 140 E C 1.235 177.823 176.600 -0.020 0.000 0.993 140 E CA 1.807 58.187 56.400 -0.033 0.000 0.819 140 E CB -0.145 29.543 29.700 -0.020 0.000 0.745 140 E HN 0.626 nan 8.360 nan 0.000 0.477 141 T N -2.079 112.463 114.554 -0.020 0.000 3.007 141 T HA 0.063 4.413 4.350 -0.000 0.000 0.270 141 T C 1.940 176.626 174.700 -0.022 0.000 1.107 141 T CA 1.093 63.183 62.100 -0.018 0.000 1.118 141 T CB -0.201 68.656 68.868 -0.018 0.000 0.889 141 T HN 0.198 nan 8.240 nan 0.000 0.506 142 A N 1.887 124.692 122.820 -0.025 0.000 1.902 142 A HA 0.318 4.638 4.320 -0.000 0.000 0.217 142 A C 2.850 180.421 177.584 -0.022 0.000 1.181 142 A CA 1.771 53.794 52.037 -0.024 0.000 0.623 142 A CB -1.423 17.560 19.000 -0.027 0.000 0.818 142 A HN 0.753 nan 8.150 nan 0.000 0.443 143 A N -0.175 122.633 122.820 -0.020 0.000 1.933 143 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 143 A C 2.221 179.800 177.584 -0.008 0.000 1.175 143 A CA 1.482 53.512 52.037 -0.012 0.000 0.628 143 A CB -0.467 18.528 19.000 -0.008 0.000 0.814 143 A HN 0.569 nan 8.150 nan 0.000 0.444 144 R N -0.693 119.800 120.500 -0.012 0.000 2.083 144 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 144 R C 1.990 178.251 176.300 -0.065 0.000 1.137 144 R CA 1.567 57.647 56.100 -0.033 0.000 0.951 144 R CB -0.697 29.582 30.300 -0.034 0.000 0.851 144 R HN 0.377 nan 8.270 nan 0.000 0.434 145 V N 1.161 121.045 119.914 -0.048 0.000 2.407 145 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 145 V C 2.461 178.531 176.094 -0.041 0.000 1.055 145 V CA 1.848 64.119 62.300 -0.049 0.000 1.049 145 V CB -0.696 31.107 31.823 -0.033 0.000 0.662 145 V HN 0.423 nan 8.190 nan 0.000 0.455 146 A N 0.200 123.003 122.820 -0.028 0.000 1.883 146 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 146 A C 2.465 180.036 177.584 -0.021 0.000 1.186 146 A CA 2.273 54.299 52.037 -0.018 0.000 0.624 146 A CB -0.900 18.094 19.000 -0.010 0.000 0.822 146 A HN 0.572 nan 8.150 nan 0.000 0.444 147 A N -0.572 122.232 122.820 -0.027 0.000 1.883 147 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 147 A C 2.444 179.976 177.584 -0.088 0.000 1.186 147 A CA 2.030 54.047 52.037 -0.034 0.000 0.624 147 A CB -1.488 17.501 19.000 -0.020 0.000 0.822 147 A HN 0.848 nan 8.150 nan 0.000 0.444 148 G N -1.262 107.460 108.800 -0.130 0.000 2.462 148 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.220 148 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.220 148 G C 1.482 176.337 174.900 -0.076 0.000 1.121 148 G CA 1.616 46.627 45.100 -0.149 0.000 0.758 148 G HN 0.451 nan 8.290 nan 0.000 0.559 149 T N 0.802 115.330 114.554 -0.043 0.000 2.788 149 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 149 T C 2.547 177.252 174.700 0.008 0.000 1.044 149 T CA 1.152 63.244 62.100 -0.013 0.000 1.139 149 T CB -0.170 68.695 68.868 -0.005 0.000 0.867 149 T HN 0.101 nan 8.240 nan 0.000 0.454 150 V N 1.749 121.669 119.914 0.009 0.000 2.295 150 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 150 V C 2.920 179.051 176.094 0.061 0.000 1.049 150 V CA 1.668 63.989 62.300 0.036 0.000 1.024 150 V CB -1.257 30.582 31.823 0.027 0.000 0.648 150 V HN 0.525 nan 8.190 nan 0.000 0.447 151 A N 1.223 124.054 122.820 0.018 0.000 1.908 151 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 151 A C 2.370 180.016 177.584 0.103 0.000 1.181 151 A CA 2.311 54.376 52.037 0.046 0.000 0.627 151 A CB -0.575 18.379 19.000 -0.076 0.000 0.818 151 A HN 0.685 nan 8.150 nan 0.000 0.445 152 R N -0.300 120.223 120.500 0.039 0.000 2.092 152 R HA 0.094 4.434 4.340 -0.000 0.000 0.231 152 R C 2.115 178.439 176.300 0.040 0.000 1.119 152 R CA 1.587 57.705 56.100 0.030 0.000 0.970 152 R CB -0.620 29.679 30.300 -0.001 0.000 0.864 152 R HN 0.296 nan 8.270 nan 0.000 0.440 153 A N 1.033 123.887 122.820 0.057 0.000 1.877 153 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 153 A C 2.062 179.679 177.584 0.054 0.000 1.186 153 A CA 1.319 53.387 52.037 0.052 0.000 0.620 153 A CB -0.869 18.174 19.000 0.071 0.000 0.822 153 A HN 0.540 nan 8.150 nan 0.000 0.443 154 F N 0.685 120.626 119.950 -0.016 0.000 2.095 154 F HA -0.191 4.336 4.527 0.000 0.000 0.298 154 F C 1.911 177.701 175.800 -0.017 0.000 1.104 154 F CA 1.926 59.916 58.000 -0.017 0.000 1.232 154 F CB -0.392 38.608 39.000 -0.000 0.000 0.987 154 F HN 0.149 nan 8.300 nan 0.000 0.475 155 L N -0.002 121.170 121.223 -0.085 0.000 2.046 155 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 155 L C 2.779 179.524 176.870 -0.208 0.000 1.077 155 L CA 1.774 56.512 54.840 -0.170 0.000 0.747 155 L CB -0.702 41.363 42.059 0.010 0.000 0.896 155 L HN 0.150 nan 8.230 nan 0.000 0.432 156 R N 0.013 120.434 120.500 -0.133 0.000 2.073 156 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 156 R C 2.301 178.505 176.300 -0.160 0.000 1.134 156 R CA 1.678 57.710 56.100 -0.113 0.000 0.952 156 R CB -0.086 30.177 30.300 -0.063 0.000 0.850 156 R HN 0.414 nan 8.270 nan 0.000 0.433 157 Q N -0.680 119.002 119.800 -0.196 0.000 2.123 157 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 157 Q C 2.010 177.843 176.000 -0.279 0.000 0.966 157 Q CA 1.424 57.102 55.803 -0.209 0.000 0.845 157 Q CB 0.084 28.702 28.738 -0.199 0.000 0.907 157 Q HN 0.421 nan 8.270 nan 0.000 0.439 158 A N 0.114 122.658 122.820 -0.460 0.000 1.903 158 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 158 A C 1.698 179.063 177.584 -0.366 0.000 1.185 158 A CA 0.877 52.610 52.037 -0.507 0.000 0.628 158 A CB 0.055 18.450 19.000 -1.007 0.000 0.830 158 A HN 0.282 nan 8.150 nan 0.000 0.446 159 L N -2.065 118.961 121.223 -0.327 0.000 2.966 159 L HA 0.303 4.643 4.340 -0.000 0.000 0.262 159 L C 1.370 178.162 176.870 -0.130 0.000 1.165 159 L CA 0.411 55.128 54.840 -0.204 0.000 0.978 159 L CB 0.551 42.519 42.059 -0.152 0.000 1.337 159 L HN 0.520 nan 8.230 nan 0.000 0.563 160 G N 1.325 110.046 108.800 -0.132 0.000 2.198 160 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 160 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 160 G C 0.111 174.975 174.900 -0.061 0.000 1.025 160 G CA 0.296 45.345 45.100 -0.085 0.000 0.769 160 G HN 0.124 nan 8.290 nan 0.000 0.507 161 V N 0.579 120.453 119.914 -0.066 0.000 2.509 161 V HA 0.560 4.680 4.120 -0.000 0.000 0.284 161 V C 0.172 176.247 176.094 -0.031 0.000 1.047 161 V CA -0.528 61.751 62.300 -0.035 0.000 0.952 161 V CB 1.742 33.553 31.823 -0.020 0.000 0.988 161 V HN 0.331 nan 8.190 nan 0.000 0.469 162 E N 2.989 123.177 120.200 -0.021 0.000 2.238 162 E HA 0.580 4.930 4.350 -0.000 0.000 0.267 162 E C -1.395 175.197 176.600 -0.013 0.000 0.887 162 E CA -0.543 55.846 56.400 -0.020 0.000 0.769 162 E CB 2.598 32.283 29.700 -0.025 0.000 1.187 162 E HN 0.358 nan 8.360 nan 0.000 0.416 163 V N 3.853 123.760 119.914 -0.012 0.000 2.495 163 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 163 V C 0.072 176.159 176.094 -0.010 0.000 1.031 163 V CA -0.711 61.584 62.300 -0.007 0.000 0.871 163 V CB 1.319 33.138 31.823 -0.007 0.000 0.988 163 V HN 0.548 nan 8.190 nan 0.000 0.432 164 L N 2.558 123.778 121.223 -0.006 0.000 2.397 164 L HA 1.087 5.427 4.340 -0.000 0.000 0.251 164 L C -0.454 176.433 176.870 0.028 0.000 1.064 164 L CA -0.591 54.247 54.840 -0.004 0.000 0.859 164 L CB 2.421 44.461 42.059 -0.032 0.000 1.468 164 L HN 0.651 nan 8.230 nan 0.000 0.411 165 S N -1.497 114.232 115.700 0.048 0.000 2.579 165 S HA 0.819 5.289 4.470 -0.000 0.000 0.272 165 S C -1.161 173.541 174.600 0.170 0.000 1.141 165 S CA -0.518 57.743 58.200 0.102 0.000 0.843 165 S CB 1.512 64.741 63.200 0.049 0.000 1.122 165 S HN 1.227 nan 8.310 nan 0.000 0.468 166 H N -1.825 117.247 119.070 0.003 0.000 3.016 166 H HA 0.786 5.342 4.556 0.000 0.000 0.362 166 H C -1.572 173.785 175.328 0.048 0.000 1.233 166 H CA -1.441 54.620 56.048 0.021 0.000 1.124 166 H CB 1.133 30.905 29.762 0.018 0.000 1.850 166 H HN 0.509 nan 8.280 nan 0.000 0.549 167 V N 3.110 123.017 119.914 -0.011 0.000 2.432 167 V HA 0.026 4.146 4.120 -0.000 0.000 0.275 167 V C 0.768 176.833 176.094 -0.047 0.000 1.043 167 V CA -0.520 61.749 62.300 -0.052 0.000 0.925 167 V CB 0.816 32.646 31.823 0.011 0.000 0.985 167 V HN 0.734 nan 8.190 nan 0.000 0.466 168 I N 3.017 123.546 120.570 -0.068 0.000 2.494 168 I HA 0.074 4.244 4.170 -0.000 0.000 0.250 168 I C 1.036 177.194 176.117 0.067 0.000 1.112 168 I CA 1.120 62.436 61.300 0.027 0.000 1.438 168 I CB -0.125 37.868 38.000 -0.011 0.000 1.111 168 I HN 0.801 nan 8.210 nan 0.000 0.431 169 S N 0.016 115.734 115.700 0.030 0.000 2.547 169 S HA 0.714 5.184 4.470 -0.000 0.000 0.270 169 S C -0.980 173.632 174.600 0.021 0.000 1.150 169 S CA -0.742 57.478 58.200 0.034 0.000 0.850 169 S CB 2.361 65.577 63.200 0.027 0.000 1.118 169 S HN 0.026 nan 8.310 nan 0.000 0.461 170 I N 1.920 122.505 120.570 0.025 0.000 2.569 170 I HA 0.621 4.791 4.170 -0.000 0.000 0.290 170 I C 0.984 177.112 176.117 0.018 0.000 1.088 170 I CA 0.131 61.443 61.300 0.019 0.000 1.047 170 I CB 1.608 39.626 38.000 0.029 0.000 1.237 170 I HN 1.286 nan 8.210 nan 0.000 0.421 171 G N 4.485 113.291 108.800 0.009 0.000 2.611 171 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.301 171 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.301 171 G C 0.661 175.565 174.900 0.007 0.000 1.233 171 G CA 0.420 45.525 45.100 0.007 0.000 0.993 171 G HN 1.033 nan 8.290 nan 0.000 0.553 172 A N 0.282 123.108 122.820 0.010 0.000 2.359 172 A HA 0.616 4.936 4.320 -0.000 0.000 0.240 172 A C 1.457 179.050 177.584 0.016 0.000 1.306 172 A CA 1.485 53.528 52.037 0.010 0.000 0.898 172 A CB -0.919 18.086 19.000 0.008 0.000 0.956 172 A HN 2.237 nan 8.150 nan 0.000 0.497 173 S N -0.068 115.645 115.700 0.022 0.000 2.579 173 S HA 0.484 4.954 4.470 -0.000 0.000 0.275 173 S C 0.438 175.057 174.600 0.032 0.000 1.345 173 S CA -0.055 58.163 58.200 0.030 0.000 1.031 173 S CB 0.894 64.117 63.200 0.038 0.000 0.892 173 S HN 1.119 nan 8.310 nan 0.000 0.529 174 A N 3.221 126.063 122.820 0.037 0.000 2.396 174 A HA 0.534 4.854 4.320 -0.000 0.000 0.279 174 A C -2.210 175.410 177.584 0.060 0.000 1.165 174 A CA -1.493 50.567 52.037 0.039 0.000 0.824 174 A CB -0.859 18.164 19.000 0.038 0.000 1.100 174 A HN 0.724 nan 8.150 nan 0.000 0.516 175 P HA 0.005 nan 4.420 nan 0.000 0.266 175 P C -0.574 176.794 177.300 0.113 0.000 1.195 175 P CA 0.221 63.365 63.100 0.073 0.000 0.768 175 P CB 0.150 31.873 31.700 0.038 0.000 0.838 176 Y N 2.621 122.946 120.300 0.042 0.000 2.569 176 Y HA 0.022 4.572 4.550 -0.000 0.000 0.332 176 Y C 1.006 176.953 175.900 0.079 0.000 1.120 176 Y CA 0.518 58.659 58.100 0.068 0.000 1.416 176 Y CB 0.279 38.807 38.460 0.114 0.000 1.210 176 Y HN 0.480 nan 8.280 nan 0.000 0.528 177 E N 3.450 123.346 120.200 -0.506 0.000 2.526 177 E HA 0.184 4.534 4.350 -0.000 0.000 0.208 177 E C 1.005 177.255 176.600 -0.583 0.000 0.997 177 E CA 0.026 56.179 56.400 -0.411 0.000 0.961 177 E CB 0.508 30.099 29.700 -0.183 0.000 1.030 177 E HN 0.879 nan 8.360 nan 0.000 0.483 178 G N 2.973 111.057 108.800 -1.193 0.000 2.570 178 G HA2 0.157 4.117 3.960 -0.000 0.000 0.276 178 G HA3 0.157 4.117 3.960 -0.000 0.000 0.276 178 G C -2.232 172.501 174.900 -0.278 0.000 1.346 178 G CA -0.820 43.904 45.100 -0.626 0.000 1.034 178 G HN -0.082 nan 8.290 nan 0.000 0.512 179 P HA 0.240 nan 4.420 nan 0.000 0.274 179 P C -2.490 175.014 177.300 0.340 0.000 1.231 179 P CA -1.085 62.118 63.100 0.172 0.000 0.790 179 P CB 0.794 32.591 31.700 0.162 0.000 0.951 180 P HA 0.245 nan 4.420 nan 0.000 0.274 180 P C -2.380 174.786 177.300 -0.224 0.000 1.246 180 P CA -1.640 61.473 63.100 0.022 0.000 0.795 180 P CB -0.873 30.856 31.700 0.047 0.000 1.006 181 P HA 0.257 nan 4.420 nan 0.000 0.276 181 P C -0.242 176.810 177.300 -0.414 0.000 1.252 181 P CA -0.186 62.324 63.100 -0.984 0.000 0.802 181 P CB 0.786 31.690 31.700 -1.327 0.000 1.035 182 R N -0.029 120.293 120.500 -0.296 0.000 2.797 182 R HA 0.523 4.863 4.340 -0.000 0.000 0.251 182 R C 1.488 177.705 176.300 -0.139 0.000 1.107 182 R CA -0.852 55.158 56.100 -0.150 0.000 1.084 182 R CB -0.418 29.836 30.300 -0.076 0.000 1.205 182 R HN 0.491 nan 8.270 nan 0.000 0.515 183 A N 0.892 123.662 122.820 -0.084 0.000 1.940 183 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 183 A C 1.694 179.245 177.584 -0.055 0.000 1.176 183 A CA 2.101 54.100 52.037 -0.064 0.000 0.631 183 A CB -0.618 18.357 19.000 -0.042 0.000 0.814 183 A HN 0.814 nan 8.150 nan 0.000 0.446 184 E N -0.453 119.721 120.200 -0.044 0.000 2.333 184 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 184 E C 0.389 176.976 176.600 -0.021 0.000 1.007 184 E CA 1.173 57.559 56.400 -0.024 0.000 0.845 184 E CB -0.310 29.384 29.700 -0.011 0.000 0.766 184 E HN 0.527 nan 8.360 nan 0.000 0.507 185 D N 0.509 120.878 120.400 -0.052 0.000 2.349 185 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 185 D C 1.665 177.940 176.300 -0.043 0.000 1.016 185 D CA 0.104 54.080 54.000 -0.039 0.000 0.870 185 D CB 0.255 40.963 40.800 -0.153 0.000 0.917 185 D HN 0.197 nan 8.370 nan 0.000 0.524 186 L N 1.421 122.613 121.223 -0.052 0.000 2.093 186 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 186 L C -0.949 175.917 176.870 -0.006 0.000 1.085 186 L CA 1.798 56.617 54.840 -0.035 0.000 0.755 186 L CB -1.137 40.903 42.059 -0.033 0.000 0.904 186 L HN -0.085 nan 8.230 nan 0.000 0.435 187 P HA -0.170 nan 4.420 nan 0.000 0.215 187 P C 1.571 178.881 177.300 0.015 0.000 1.157 187 P CA 2.067 65.171 63.100 0.007 0.000 0.868 187 P CB -0.172 31.531 31.700 0.006 0.000 0.788 188 A N -0.829 122.006 122.820 0.025 0.000 1.902 188 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 188 A C 2.229 179.838 177.584 0.042 0.000 1.181 188 A CA 1.465 53.523 52.037 0.035 0.000 0.623 188 A CB -1.640 17.393 19.000 0.055 0.000 0.818 188 A HN 0.105 nan 8.150 nan 0.000 0.443 189 I N -0.099 120.501 120.570 0.050 0.000 2.179 189 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 189 I C 1.692 177.832 176.117 0.039 0.000 1.088 189 I CA 1.602 62.934 61.300 0.055 0.000 1.357 189 I CB -0.393 37.632 38.000 0.042 0.000 1.051 189 I HN 0.210 nan 8.210 nan 0.000 0.409 190 D N 0.756 121.172 120.400 0.027 0.000 2.264 190 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 190 D C 2.085 178.399 176.300 0.023 0.000 0.966 190 D CA 1.104 55.119 54.000 0.024 0.000 0.864 190 D CB -0.012 40.797 40.800 0.016 0.000 0.933 190 D HN 0.340 nan 8.370 nan 0.000 0.499 191 A N 0.076 122.908 122.820 0.020 0.000 2.119 191 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 191 A C 1.415 179.006 177.584 0.012 0.000 1.152 191 A CA 0.177 52.223 52.037 0.014 0.000 0.708 191 A CB -0.065 18.941 19.000 0.010 0.000 0.805 191 A HN 0.143 nan 8.150 nan 0.000 0.460 192 S N 0.179 115.890 115.700 0.018 0.000 2.531 192 S HA 0.305 4.775 4.470 -0.000 0.000 0.279 192 S C -1.455 173.159 174.600 0.023 0.000 1.305 192 S CA -1.235 56.973 58.200 0.013 0.000 1.058 192 S CB 0.801 64.013 63.200 0.020 0.000 0.899 192 S HN 0.131 nan 8.310 nan 0.000 0.493 193 P HA -0.083 nan 4.420 nan 0.000 0.220 193 P C 0.767 178.124 177.300 0.095 0.000 1.144 193 P CA 0.948 64.074 63.100 0.042 0.000 0.800 193 P CB -0.050 31.625 31.700 -0.042 0.000 0.772 194 V N -5.959 113.996 119.914 0.069 0.000 3.176 194 V HA 0.372 4.492 4.120 -0.000 0.000 0.332 194 V C 0.432 176.560 176.094 0.058 0.000 1.414 194 V CA -0.586 61.761 62.300 0.077 0.000 1.133 194 V CB -0.914 30.956 31.823 0.079 0.000 1.088 194 V HN -0.062 nan 8.190 nan 0.000 0.473 195 R N 0.274 120.806 120.500 0.053 0.000 3.333 195 R HA -0.160 4.180 4.340 -0.000 0.000 0.256 195 R C 0.455 176.802 176.300 0.078 0.000 1.010 195 R CA 0.728 56.863 56.100 0.059 0.000 0.680 195 R CB -1.799 28.533 30.300 0.054 0.000 1.102 195 R HN 0.942 nan 8.270 nan 0.000 0.440 196 A N 0.068 122.925 122.820 0.063 0.000 2.303 196 A HA 0.385 4.705 4.320 -0.000 0.000 0.317 196 A C 0.164 177.791 177.584 0.072 0.000 1.149 196 A CA -0.432 51.641 52.037 0.061 0.000 0.822 196 A CB 0.460 19.464 19.000 0.007 0.000 1.131 196 A HN 0.388 nan 8.150 nan 0.000 0.493 197 Y N 0.388 120.605 120.300 -0.138 0.000 2.462 197 Y HA 0.244 4.794 4.550 -0.000 0.000 0.261 197 Y C 0.000 175.682 175.900 -0.365 0.000 1.146 197 Y CA 0.071 58.022 58.100 -0.248 0.000 1.283 197 Y CB 0.117 38.375 38.460 -0.337 0.000 1.090 197 Y HN 0.702 nan 8.280 nan 0.000 0.526 198 D N -0.463 119.658 120.400 -0.465 0.000 2.649 198 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 198 D C 0.612 176.789 176.300 -0.205 0.000 1.112 198 D CA -0.332 53.390 54.000 -0.464 0.000 0.850 198 D CB 1.762 42.206 40.800 -0.593 0.000 1.399 198 D HN -0.212 nan 8.370 nan 0.000 0.503 199 K N 2.593 122.901 120.400 -0.153 0.000 2.097 199 K HA 0.085 4.405 4.320 -0.000 0.000 0.205 199 K C 1.696 178.267 176.600 -0.048 0.000 1.050 199 K CA 1.563 57.799 56.287 -0.086 0.000 0.938 199 K CB -0.255 32.199 32.500 -0.076 0.000 0.718 199 K HN 0.464 nan 8.250 nan 0.000 0.442 200 A N 0.385 123.187 122.820 -0.031 0.000 1.898 200 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 200 A C 2.335 179.927 177.584 0.014 0.000 1.181 200 A CA 1.946 53.983 52.037 -0.000 0.000 0.620 200 A CB -0.997 18.015 19.000 0.020 0.000 0.819 200 A HN 0.354 nan 8.150 nan 0.000 0.442 201 A N -0.328 122.506 122.820 0.023 0.000 1.902 201 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 201 A C 2.020 179.617 177.584 0.021 0.000 1.181 201 A CA 1.801 53.865 52.037 0.045 0.000 0.623 201 A CB -0.583 18.467 19.000 0.084 0.000 0.818 201 A HN 0.688 nan 8.150 nan 0.000 0.443 202 E N 0.026 120.222 120.200 -0.008 0.000 2.049 202 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 202 E C 2.125 178.726 176.600 0.001 0.000 1.007 202 E CA 1.396 57.792 56.400 -0.005 0.000 0.809 202 E CB -0.296 29.389 29.700 -0.026 0.000 0.749 202 E HN 0.529 nan 8.360 nan 0.000 0.450 203 A N 1.008 123.825 122.820 -0.006 0.000 1.933 203 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 203 A C 2.011 179.601 177.584 0.010 0.000 1.175 203 A CA 1.790 53.824 52.037 -0.005 0.000 0.628 203 A CB -0.628 18.366 19.000 -0.009 0.000 0.814 203 A HN 0.422 nan 8.150 nan 0.000 0.444 204 D N -0.229 120.182 120.400 0.019 0.000 2.084 204 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 204 D C 2.037 178.358 176.300 0.036 0.000 0.990 204 D CA 1.696 55.712 54.000 0.027 0.000 0.826 204 D CB -0.298 40.521 40.800 0.032 0.000 0.971 204 D HN 0.454 nan 8.370 nan 0.000 0.453 205 M N -0.207 119.417 119.600 0.041 0.000 2.108 205 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 205 M C 2.488 178.833 176.300 0.076 0.000 1.066 205 M CA 1.032 56.364 55.300 0.053 0.000 1.107 205 M CB -0.236 32.396 32.600 0.053 0.000 1.356 205 M HN 0.077 nan 8.290 nan 0.000 0.406 206 I N 0.190 120.802 120.570 0.071 0.000 2.208 206 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 206 I C 2.716 178.896 176.117 0.104 0.000 1.097 206 I CA 1.294 62.652 61.300 0.097 0.000 1.363 206 I CB -0.551 37.446 38.000 -0.005 0.000 1.051 206 I HN 0.264 nan 8.210 nan 0.000 0.413 207 A N 0.100 122.955 122.820 0.059 0.000 1.933 207 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 207 A C 2.263 179.883 177.584 0.060 0.000 1.175 207 A CA 1.356 53.425 52.037 0.053 0.000 0.628 207 A CB -0.435 18.584 19.000 0.032 0.000 0.814 207 A HN 0.402 nan 8.150 nan 0.000 0.444 208 Q N -0.229 119.605 119.800 0.056 0.000 2.084 208 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 208 Q C 2.144 178.176 176.000 0.052 0.000 0.978 208 Q CA 1.428 57.258 55.803 0.046 0.000 0.844 208 Q CB -0.493 28.268 28.738 0.038 0.000 0.898 208 Q HN 0.784 nan 8.270 nan 0.000 0.426 209 I N 1.089 121.707 120.570 0.081 0.000 2.226 209 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 209 I C 2.234 178.397 176.117 0.076 0.000 1.100 209 I CA 0.959 62.300 61.300 0.068 0.000 1.374 209 I CB -0.240 37.826 38.000 0.110 0.000 1.057 209 I HN 0.136 nan 8.210 nan 0.000 0.413 210 E N 1.053 121.341 120.200 0.146 0.000 2.085 210 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 210 E C 2.328 178.968 176.600 0.065 0.000 0.994 210 E CA 1.624 58.100 56.400 0.127 0.000 0.801 210 E CB -0.353 29.422 29.700 0.126 0.000 0.743 210 E HN 0.528 nan 8.360 nan 0.000 0.453 211 A N 1.493 124.343 122.820 0.051 0.000 1.898 211 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 211 A C 2.443 180.040 177.584 0.022 0.000 1.181 211 A CA 2.014 54.070 52.037 0.032 0.000 0.620 211 A CB -0.573 18.443 19.000 0.028 0.000 0.819 211 A HN 0.271 nan 8.150 nan 0.000 0.442 212 A N -0.146 122.684 122.820 0.017 0.000 1.902 212 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 212 A C 2.128 179.711 177.584 -0.002 0.000 1.181 212 A CA 2.051 54.091 52.037 0.004 0.000 0.623 212 A CB -0.478 18.520 19.000 -0.003 0.000 0.818 212 A HN 0.563 nan 8.150 nan 0.000 0.443 213 K N 0.091 120.488 120.400 -0.006 0.000 2.032 213 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 213 K C 2.174 178.776 176.600 0.004 0.000 1.048 213 K CA 1.956 58.234 56.287 -0.015 0.000 0.927 213 K CB -0.207 32.277 32.500 -0.026 0.000 0.712 213 K HN 0.466 nan 8.250 nan 0.000 0.441 214 K N 0.268 120.678 120.400 0.016 0.000 2.097 214 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 214 K C 0.888 177.496 176.600 0.014 0.000 1.049 214 K CA 2.057 58.355 56.287 0.018 0.000 0.933 214 K CB 0.024 32.538 32.500 0.023 0.000 0.717 214 K HN 0.134 nan 8.250 nan 0.000 0.442 215 D N -0.349 120.058 120.400 0.011 0.000 2.349 215 D HA 0.062 4.702 4.640 -0.000 0.000 0.224 215 D C 0.653 176.958 176.300 0.009 0.000 1.029 215 D CA 0.995 55.001 54.000 0.010 0.000 0.879 215 D CB 0.373 41.179 40.800 0.009 0.000 0.906 215 D HN 0.521 nan 8.370 nan 0.000 0.528 216 G N 1.275 110.080 108.800 0.007 0.000 2.221 216 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 216 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 216 G C -0.043 174.859 174.900 0.004 0.000 1.041 216 G CA 0.293 45.398 45.100 0.008 0.000 0.807 216 G HN 0.296 nan 8.290 nan 0.000 0.502 217 D N -0.679 119.720 120.400 -0.001 0.000 2.525 217 D HA 0.804 5.444 4.640 -0.000 0.000 0.249 217 D C 0.733 177.026 176.300 -0.012 0.000 1.072 217 D CA 0.631 54.629 54.000 -0.004 0.000 1.067 217 D CB 1.806 42.605 40.800 -0.001 0.000 1.282 217 D HN 0.412 nan 8.370 nan 0.000 0.587 218 T N -1.521 113.026 114.554 -0.012 0.000 2.916 218 T HA 0.755 5.105 4.350 -0.000 0.000 0.292 218 T C -0.432 174.259 174.700 -0.015 0.000 1.055 218 T CA -0.800 61.289 62.100 -0.018 0.000 1.009 218 T CB 1.114 69.971 68.868 -0.018 0.000 1.118 218 T HN 0.247 nan 8.240 nan 0.000 0.497 219 L N 0.780 121.993 121.223 -0.018 0.000 2.370 219 L HA 0.785 5.125 4.340 -0.000 0.000 0.266 219 L C 0.743 177.604 176.870 -0.015 0.000 1.002 219 L CA -1.073 53.759 54.840 -0.013 0.000 0.818 219 L CB 2.270 44.325 42.059 -0.008 0.000 1.325 219 L HN 1.032 nan 8.230 nan 0.000 0.418 220 G N -0.075 108.717 108.800 -0.014 0.000 2.828 220 G HA2 0.865 4.825 3.960 -0.000 0.000 0.244 220 G HA3 0.865 4.825 3.960 -0.000 0.000 0.244 220 G C -0.556 174.338 174.900 -0.010 0.000 1.365 220 G CA -0.230 44.861 45.100 -0.015 0.000 1.041 220 G HN 0.909 nan 8.290 nan 0.000 0.560 221 G N -2.903 105.890 108.800 -0.013 0.000 2.320 221 G HA2 0.506 4.466 3.960 -0.000 0.000 0.296 221 G HA3 0.506 4.466 3.960 -0.000 0.000 0.296 221 G C -2.101 172.791 174.900 -0.014 0.000 1.306 221 G CA -0.185 44.909 45.100 -0.009 0.000 0.836 221 G HN 1.085 nan 8.290 nan 0.000 0.517 222 V N 0.375 120.281 119.914 -0.013 0.000 2.540 222 V HA 0.753 4.873 4.120 -0.000 0.000 0.302 222 V C 0.278 176.350 176.094 -0.036 0.000 1.035 222 V CA -0.554 61.734 62.300 -0.020 0.000 0.873 222 V CB 1.236 33.050 31.823 -0.015 0.000 0.992 222 V HN 1.435 nan 8.190 nan 0.000 0.428 223 V N 1.556 121.444 119.914 -0.043 0.000 2.864 223 V HA 0.801 4.921 4.120 -0.000 0.000 0.314 223 V C -0.662 175.380 176.094 -0.086 0.000 1.073 223 V CA -0.676 61.580 62.300 -0.074 0.000 0.956 223 V CB 2.026 33.824 31.823 -0.041 0.000 1.023 223 V HN 0.961 nan 8.190 nan 0.000 0.435 224 E N 2.067 122.173 120.200 -0.157 0.000 2.191 224 E HA 0.741 5.091 4.350 -0.000 0.000 0.263 224 E C -0.563 176.051 176.600 0.024 0.000 0.881 224 E CA -0.773 55.582 56.400 -0.075 0.000 0.757 224 E CB 1.878 31.516 29.700 -0.104 0.000 1.147 224 E HN 1.261 nan 8.360 nan 0.000 0.414 225 A N 3.424 126.271 122.820 0.045 0.000 2.306 225 A HA 0.614 4.934 4.320 -0.000 0.000 0.314 225 A C -0.858 176.768 177.584 0.070 0.000 1.164 225 A CA -0.558 51.514 52.037 0.058 0.000 0.822 225 A CB 1.230 20.248 19.000 0.030 0.000 1.130 225 A HN 0.402 nan 8.150 nan 0.000 0.496 226 V N 1.080 121.032 119.914 0.063 0.000 2.588 226 V HA 0.704 4.824 4.120 -0.000 0.000 0.304 226 V C 0.168 176.275 176.094 0.023 0.000 1.042 226 V CA -0.328 62.000 62.300 0.046 0.000 0.877 226 V CB 1.549 33.393 31.823 0.036 0.000 0.996 226 V HN 1.242 nan 8.190 nan 0.000 0.425 227 A N 5.879 128.713 122.820 0.024 0.000 2.304 227 A HA 0.907 5.227 4.320 -0.000 0.000 0.314 227 A C -0.963 176.631 177.584 0.017 0.000 1.187 227 A CA -0.457 51.591 52.037 0.017 0.000 0.810 227 A CB 0.787 19.802 19.000 0.025 0.000 1.183 227 A HN 0.792 nan 8.150 nan 0.000 0.487 228 L N 1.720 122.947 121.223 0.006 0.000 2.334 228 L HA 0.708 5.048 4.340 -0.000 0.000 0.276 228 L C 1.214 178.087 176.870 0.005 0.000 1.014 228 L CA 0.108 54.950 54.840 0.004 0.000 0.815 228 L CB 1.873 43.926 42.059 -0.010 0.000 1.268 228 L HN 1.213 nan 8.230 nan 0.000 0.428 229 G N 2.251 111.058 108.800 0.011 0.000 2.141 229 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.231 229 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.231 229 G C -0.097 174.818 174.900 0.025 0.000 0.984 229 G CA -0.491 44.615 45.100 0.010 0.000 0.660 229 G HN 0.380 nan 8.290 nan 0.000 0.525 230 L N 2.424 123.673 121.223 0.043 0.000 2.426 230 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 230 L C -0.775 176.153 176.870 0.097 0.000 1.169 230 L CA -1.634 53.248 54.840 0.071 0.000 0.836 230 L CB 0.492 42.597 42.059 0.076 0.000 1.112 230 L HN 0.069 nan 8.230 nan 0.000 0.465 231 P HA 0.108 nan 4.420 nan 0.000 0.274 231 P C -0.675 176.751 177.300 0.211 0.000 1.237 231 P CA -0.422 62.803 63.100 0.208 0.000 0.793 231 P CB 0.976 32.881 31.700 0.342 0.000 0.977 232 V N 0.900 120.948 119.914 0.224 0.000 2.637 232 V HA 0.378 4.498 4.120 -0.000 0.000 0.296 232 V C 1.605 177.850 176.094 0.253 0.000 1.046 232 V CA 1.467 63.886 62.300 0.199 0.000 1.066 232 V CB -0.243 31.678 31.823 0.162 0.000 0.968 232 V HN 1.094 nan 8.190 nan 0.000 0.483 233 G N 3.804 112.694 108.800 0.150 0.000 2.138 233 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.193 233 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.193 233 G C -0.169 174.707 174.900 -0.040 0.000 0.998 233 G CA -0.313 44.838 45.100 0.085 0.000 0.668 233 G HN 0.547 nan 8.290 nan 0.000 0.516 234 L N 0.603 121.820 121.223 -0.011 0.000 2.397 234 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 234 L C 1.394 178.256 176.870 -0.013 0.000 1.148 234 L CA 0.615 55.427 54.840 -0.047 0.000 0.825 234 L CB 0.852 42.921 42.059 0.016 0.000 1.117 234 L HN 1.182 nan 8.230 nan 0.000 0.456 235 G N 1.985 110.765 108.800 -0.033 0.000 2.795 235 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.664 235 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.664 235 G C -0.708 174.171 174.900 -0.035 0.000 1.381 235 G CA -0.202 44.894 45.100 -0.006 0.000 0.853 235 G HN 0.797 nan 8.290 nan 0.000 0.545 236 S N -1.641 114.044 115.700 -0.026 0.000 2.579 236 S HA 0.694 5.164 4.470 -0.000 0.000 0.272 236 S C 0.612 175.182 174.600 -0.051 0.000 1.141 236 S CA 0.361 58.489 58.200 -0.120 0.000 0.843 236 S CB 1.073 64.095 63.200 -0.298 0.000 1.122 236 S HN 1.779 nan 8.310 nan 0.000 0.468 237 F N 1.025 120.987 119.950 0.020 0.000 2.789 237 F HA 0.203 4.730 4.527 -0.000 0.000 0.300 237 F C 2.059 177.879 175.800 0.034 0.000 1.132 237 F CA 0.721 58.734 58.000 0.023 0.000 1.404 237 F CB -1.303 37.702 39.000 0.008 0.000 1.114 237 F HN 0.569 nan 8.300 nan 0.000 0.584 238 T N -1.906 112.355 114.554 -0.487 0.000 2.962 238 T HA 0.082 4.432 4.350 -0.000 0.000 0.270 238 T C 0.755 175.452 174.700 -0.005 0.000 1.088 238 T CA 0.689 62.621 62.100 -0.280 0.000 1.127 238 T CB -0.710 67.937 68.868 -0.369 0.000 0.883 238 T HN 0.474 nan 8.240 nan 0.000 0.493 239 S N -1.638 114.097 115.700 0.057 0.000 2.588 239 S HA 0.629 5.099 4.470 -0.000 0.000 0.269 239 S C 1.154 175.746 174.600 -0.014 0.000 1.157 239 S CA -0.404 57.817 58.200 0.034 0.000 0.824 239 S CB 1.142 64.355 63.200 0.023 0.000 1.126 239 S HN 0.179 nan 8.310 nan 0.000 0.464 240 G N 1.415 110.193 108.800 -0.038 0.000 2.469 240 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 240 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 240 G C 1.017 175.868 174.900 -0.082 0.000 1.150 240 G CA 1.392 46.468 45.100 -0.039 0.000 0.763 240 G HN 0.975 nan 8.290 nan 0.000 0.561 241 D N -0.293 119.994 120.400 -0.188 0.000 2.312 241 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 241 D C 1.476 177.620 176.300 -0.260 0.000 0.964 241 D CA 0.680 54.534 54.000 -0.243 0.000 0.877 241 D CB -0.670 39.942 40.800 -0.314 0.000 0.924 241 D HN 0.375 nan 8.370 nan 0.000 0.515 242 H N 0.479 119.525 119.070 -0.041 0.000 2.548 242 H HA 0.227 4.783 4.556 0.000 0.000 0.265 242 H C 0.417 175.722 175.328 -0.039 0.000 0.969 242 H CA -0.007 56.008 56.048 -0.054 0.000 1.155 242 H CB 0.178 29.883 29.762 -0.095 0.000 1.394 242 H HN 0.118 nan 8.280 nan 0.000 0.570 243 R N 0.952 121.489 120.500 0.062 0.000 2.442 243 R HA 0.055 4.395 4.340 -0.000 0.000 0.291 243 R C 1.245 177.575 176.300 0.050 0.000 1.069 243 R CA -0.201 55.932 56.100 0.056 0.000 1.022 243 R CB 1.104 31.432 30.300 0.047 0.000 0.976 243 R HN 0.161 nan 8.270 nan 0.000 0.443 244 L N 2.415 123.670 121.223 0.054 0.000 2.141 244 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 244 L C 1.661 178.562 176.870 0.051 0.000 1.094 244 L CA 1.267 56.139 54.840 0.055 0.000 0.763 244 L CB -0.286 41.806 42.059 0.055 0.000 0.908 244 L HN 0.751 nan 8.230 nan 0.000 0.437 245 D N -1.705 118.723 120.400 0.046 0.000 2.117 245 D HA -0.214 4.426 4.640 -0.000 0.000 0.198 245 D C 2.139 178.460 176.300 0.035 0.000 0.982 245 D CA 1.404 55.428 54.000 0.039 0.000 0.828 245 D CB -0.536 40.285 40.800 0.034 0.000 0.967 245 D HN 0.107 nan 8.370 nan 0.000 0.464 246 S N 0.016 115.733 115.700 0.029 0.000 2.353 246 S HA -0.269 4.201 4.470 -0.000 0.000 0.222 246 S C 2.022 176.640 174.600 0.031 0.000 1.035 246 S CA 1.715 59.928 58.200 0.021 0.000 1.025 246 S CB -0.306 62.896 63.200 0.004 0.000 0.902 246 S HN 0.353 nan 8.310 nan 0.000 0.440 247 Q N 0.084 119.909 119.800 0.041 0.000 2.084 247 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 247 Q C 2.367 178.413 176.000 0.078 0.000 0.978 247 Q CA 1.508 57.349 55.803 0.062 0.000 0.844 247 Q CB -0.286 28.498 28.738 0.077 0.000 0.898 247 Q HN 0.522 nan 8.270 nan 0.000 0.426 248 L N 0.105 121.367 121.223 0.066 0.000 2.056 248 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 248 L C 2.529 179.432 176.870 0.055 0.000 1.078 248 L CA 0.911 55.787 54.840 0.061 0.000 0.749 248 L CB -0.581 41.509 42.059 0.051 0.000 0.901 248 L HN 0.202 nan 8.230 nan 0.000 0.433 249 A N 0.110 122.960 122.820 0.049 0.000 1.908 249 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 249 A C 2.535 180.148 177.584 0.048 0.000 1.181 249 A CA 1.874 53.939 52.037 0.046 0.000 0.627 249 A CB -0.758 18.266 19.000 0.039 0.000 0.818 249 A HN 0.408 nan 8.150 nan 0.000 0.445 250 A N -0.195 122.655 122.820 0.051 0.000 1.877 250 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 250 A C 2.524 180.152 177.584 0.074 0.000 1.186 250 A CA 2.243 54.313 52.037 0.055 0.000 0.620 250 A CB -1.060 17.971 19.000 0.052 0.000 0.822 250 A HN 1.099 nan 8.150 nan 0.000 0.443 251 A N -0.892 121.984 122.820 0.094 0.000 1.930 251 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 251 A C 2.196 179.820 177.584 0.068 0.000 1.175 251 A CA 1.777 53.883 52.037 0.114 0.000 0.627 251 A CB -0.655 18.422 19.000 0.128 0.000 0.815 251 A HN 0.381 nan 8.150 nan 0.000 0.443 252 V N -1.104 118.840 119.914 0.050 0.000 2.446 252 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 252 V C 2.470 178.583 176.094 0.031 0.000 1.039 252 V CA 1.931 64.251 62.300 0.033 0.000 1.045 252 V CB -0.503 31.338 31.823 0.030 0.000 0.681 252 V HN 0.590 nan 8.190 nan 0.000 0.459 253 M N 1.510 121.133 119.600 0.037 0.000 2.296 253 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 253 M C 1.778 178.095 176.300 0.028 0.000 1.064 253 M CA 1.730 57.049 55.300 0.031 0.000 1.109 253 M CB -0.701 31.920 32.600 0.035 0.000 1.396 253 M HN 0.282 nan 8.290 nan 0.000 0.430 254 G N -0.243 108.580 108.800 0.037 0.000 2.776 254 G HA2 0.108 4.068 3.960 -0.000 0.000 0.209 254 G HA3 0.108 4.068 3.960 -0.000 0.000 0.209 254 G C 0.523 175.441 174.900 0.031 0.000 1.145 254 G CA -0.183 44.940 45.100 0.039 0.000 0.791 254 G HN 0.439 nan 8.290 nan 0.000 0.530 255 I N 1.053 121.636 120.570 0.022 0.000 2.556 255 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 255 I C 0.167 176.280 176.117 -0.007 0.000 1.114 255 I CA -0.668 60.637 61.300 0.008 0.000 1.418 255 I CB 0.930 38.932 38.000 0.002 0.000 1.394 255 I HN 0.026 nan 8.210 nan 0.000 0.552 256 Q N 5.093 124.882 119.800 -0.017 0.000 2.368 256 Q HA 0.075 4.415 4.340 -0.000 0.000 0.331 256 Q C 0.909 176.878 176.000 -0.051 0.000 1.086 256 Q CA 1.248 57.024 55.803 -0.045 0.000 1.031 256 Q CB 0.163 28.869 28.738 -0.052 0.000 1.125 256 Q HN 0.848 nan 8.270 nan 0.000 0.389 257 A N 1.918 124.698 122.820 -0.067 0.000 3.383 257 A HA -0.184 4.136 4.320 -0.000 0.000 0.264 257 A C 0.099 177.662 177.584 -0.036 0.000 1.154 257 A CA 0.521 52.522 52.037 -0.061 0.000 1.179 257 A CB -1.769 17.193 19.000 -0.063 0.000 1.133 257 A HN 0.525 nan 8.150 nan 0.000 0.933 258 I N 0.421 120.977 120.570 -0.024 0.000 2.416 258 I HA 0.254 4.423 4.170 -0.000 0.000 0.288 258 I C 1.107 177.219 176.117 -0.008 0.000 1.051 258 I CA 0.325 61.618 61.300 -0.011 0.000 1.375 258 I CB 1.093 39.093 38.000 -0.001 0.000 1.407 258 I HN 0.160 nan 8.210 nan 0.000 0.516 259 K N 4.106 124.500 120.400 -0.009 0.000 2.402 259 K HA 0.348 4.668 4.320 -0.000 0.000 0.204 259 K C 0.511 177.111 176.600 -0.001 0.000 1.056 259 K CA 0.059 56.341 56.287 -0.008 0.000 1.069 259 K CB 1.619 34.106 32.500 -0.022 0.000 0.888 259 K HN 0.756 nan 8.250 nan 0.000 0.546 260 G N 0.386 109.191 108.800 0.009 0.000 2.759 260 G HA2 0.519 4.479 3.960 -0.000 0.000 0.297 260 G HA3 0.519 4.479 3.960 -0.000 0.000 0.297 260 G C -1.527 173.410 174.900 0.062 0.000 1.434 260 G CA -0.362 44.759 45.100 0.035 0.000 0.980 260 G HN -0.134 nan 8.290 nan 0.000 0.531 261 V N 0.965 120.945 119.914 0.111 0.000 2.760 261 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 261 V C -0.539 175.639 176.094 0.140 0.000 1.077 261 V CA -0.820 61.538 62.300 0.097 0.000 0.910 261 V CB 2.057 33.923 31.823 0.071 0.000 1.008 261 V HN 0.840 nan 8.190 nan 0.000 0.424 262 E N 3.648 123.916 120.200 0.114 0.000 2.288 262 E HA 0.599 4.949 4.350 -0.000 0.000 0.268 262 E C -1.488 175.150 176.600 0.062 0.000 0.885 262 E CA -0.877 55.586 56.400 0.105 0.000 0.767 262 E CB 2.651 32.435 29.700 0.140 0.000 1.220 262 E HN 0.392 nan 8.360 nan 0.000 0.427 263 I N 2.596 123.189 120.570 0.039 0.000 2.339 263 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 263 I C 1.143 177.280 176.117 0.034 0.000 0.994 263 I CA 0.254 61.575 61.300 0.036 0.000 1.191 263 I CB 0.104 38.121 38.000 0.029 0.000 1.343 263 I HN 0.858 nan 8.210 nan 0.000 0.458 264 G N 7.222 116.047 108.800 0.042 0.000 2.596 264 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.295 264 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.295 264 G C 0.463 175.386 174.900 0.040 0.000 1.240 264 G CA 0.377 45.502 45.100 0.041 0.000 0.985 264 G HN 0.546 nan 8.290 nan 0.000 0.555 265 D N 2.562 122.979 120.400 0.028 0.000 2.363 265 D HA 0.316 4.956 4.640 -0.000 0.000 0.226 265 D C 1.993 178.313 176.300 0.034 0.000 1.020 265 D CA 2.156 56.172 54.000 0.028 0.000 0.892 265 D CB -0.540 40.266 40.800 0.010 0.000 0.900 265 D HN 1.330 nan 8.370 nan 0.000 0.531 266 G N 1.366 110.177 108.800 0.018 0.000 2.685 266 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.329 266 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.329 266 G C 1.051 175.917 174.900 -0.057 0.000 1.271 266 G CA 0.528 45.626 45.100 -0.003 0.000 1.003 266 G HN 0.296 nan 8.290 nan 0.000 0.549 267 F N 0.944 120.896 119.950 0.003 0.000 2.216 267 F HA 0.001 4.528 4.527 0.000 0.000 0.300 267 F C 2.945 178.742 175.800 -0.004 0.000 1.085 267 F CA 2.147 60.148 58.000 0.001 0.000 1.326 267 F CB -0.333 38.667 39.000 0.001 0.000 1.027 267 F HN 0.411 nan 8.300 nan 0.000 0.497 268 Q N 0.291 120.175 119.800 0.140 0.000 2.119 268 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 268 Q C 2.071 178.081 176.000 0.017 0.000 0.972 268 Q CA 2.219 58.063 55.803 0.068 0.000 0.847 268 Q CB -0.810 27.956 28.738 0.047 0.000 0.903 268 Q HN 0.280 nan 8.270 nan 0.000 0.433 269 T N 0.328 114.877 114.554 -0.008 0.000 2.737 269 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 269 T C 1.584 176.252 174.700 -0.053 0.000 1.040 269 T CA 1.458 63.529 62.100 -0.049 0.000 1.142 269 T CB -0.567 68.266 68.868 -0.060 0.000 0.861 269 T HN 0.476 nan 8.240 nan 0.000 0.456 270 A N 1.096 123.886 122.820 -0.049 0.000 2.178 270 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 270 A C 2.098 179.677 177.584 -0.009 0.000 1.157 270 A CA 0.910 52.922 52.037 -0.042 0.000 0.689 270 A CB -0.297 18.665 19.000 -0.064 0.000 0.787 270 A HN 0.438 nan 8.150 nan 0.000 0.465 271 R N -0.875 119.626 120.500 0.002 0.000 2.468 271 R HA 0.206 4.546 4.340 -0.000 0.000 0.280 271 R C -0.082 176.213 176.300 -0.008 0.000 0.963 271 R CA -0.145 55.960 56.100 0.008 0.000 1.083 271 R CB 0.427 30.742 30.300 0.025 0.000 1.200 271 R HN 0.353 nan 8.270 nan 0.000 0.541 272 R N 0.559 121.043 120.500 -0.027 0.000 2.720 272 R HA 0.384 4.724 4.340 -0.000 0.000 0.272 272 R C -0.122 176.151 176.300 -0.045 0.000 0.991 272 R CA -0.815 55.260 56.100 -0.042 0.000 1.010 272 R CB 1.553 31.812 30.300 -0.068 0.000 1.141 272 R HN -0.099 nan 8.270 nan 0.000 0.494 273 R N -0.200 120.276 120.500 -0.039 0.000 2.490 273 R HA 0.092 4.432 4.340 -0.000 0.000 0.278 273 R C 1.416 177.686 176.300 -0.051 0.000 1.069 273 R CA 0.157 56.240 56.100 -0.029 0.000 1.080 273 R CB 0.787 31.079 30.300 -0.012 0.000 1.030 273 R HN 0.888 nan 8.270 nan 0.000 0.491 274 G N 0.519 109.314 108.800 -0.009 0.000 2.469 274 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 274 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 274 G C 1.352 176.279 174.900 0.046 0.000 1.136 274 G CA 1.235 46.360 45.100 0.041 0.000 0.759 274 G HN 0.681 nan 8.290 nan 0.000 0.562 275 S N -0.141 115.578 115.700 0.031 0.000 2.469 275 S HA -0.004 4.466 4.470 -0.000 0.000 0.238 275 S C 1.816 176.421 174.600 0.009 0.000 0.998 275 S CA 0.936 59.156 58.200 0.032 0.000 0.957 275 S CB -0.069 63.145 63.200 0.023 0.000 0.764 275 S HN 0.494 nan 8.310 nan 0.000 0.514 276 R N -0.349 120.130 120.500 -0.035 0.000 2.600 276 R HA 0.484 4.824 4.340 -0.000 0.000 0.392 276 R C 1.105 177.338 176.300 -0.112 0.000 1.032 276 R CA 0.517 56.589 56.100 -0.046 0.000 1.139 276 R CB 0.632 30.913 30.300 -0.032 0.000 1.400 276 R HN 0.428 nan 8.270 nan 0.000 0.566 277 A N -0.126 122.545 122.820 -0.249 0.000 2.259 277 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 277 A C 0.321 177.590 177.584 -0.525 0.000 1.209 277 A CA 0.241 52.015 52.037 -0.438 0.000 0.910 277 A CB 0.271 18.902 19.000 -0.616 0.000 0.946 277 A HN 0.113 nan 8.150 nan 0.000 0.497 278 H N -0.011 119.060 119.070 0.001 0.000 2.754 278 H HA 0.424 4.979 4.556 -0.000 0.000 0.352 278 H C -1.373 173.957 175.328 0.004 0.000 1.213 278 H CA -0.916 55.131 56.048 -0.003 0.000 1.244 278 H CB 0.772 30.526 29.762 -0.014 0.000 1.843 278 H HN 0.153 nan 8.280 nan 0.000 0.587 279 D N 1.484 121.966 120.400 0.138 0.000 2.460 279 D HA 0.167 4.807 4.640 -0.000 0.000 0.232 279 D C -0.025 176.292 176.300 0.029 0.000 1.079 279 D CA -0.311 53.736 54.000 0.077 0.000 0.864 279 D CB 1.271 42.111 40.800 0.067 0.000 1.048 279 D HN 0.409 nan 8.370 nan 0.000 0.523 280 E N 1.402 121.608 120.200 0.010 0.000 2.404 280 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 280 E C 0.113 176.520 176.600 -0.322 0.000 1.074 280 E CA 0.089 56.394 56.400 -0.158 0.000 0.917 280 E CB 1.227 30.833 29.700 -0.156 0.000 0.965 280 E HN 0.277 nan 8.360 nan 0.000 0.433 281 M N 1.872 121.159 119.600 -0.521 0.000 2.436 281 M HA 0.403 4.883 4.480 -0.000 0.000 0.331 281 M C -1.366 174.500 176.300 -0.723 0.000 1.135 281 M CA -0.504 54.541 55.300 -0.425 0.000 0.987 281 M CB 1.122 33.605 32.600 -0.195 0.000 1.687 281 M HN 0.434 nan 8.290 nan 0.000 0.445 282 Y N 0.701 121.006 120.300 0.007 0.000 2.553 282 Y HA 0.542 5.092 4.550 -0.000 0.000 0.347 282 Y C -2.386 173.516 175.900 0.003 0.000 1.019 282 Y CA -2.485 55.618 58.100 0.005 0.000 1.032 282 Y CB 0.887 39.351 38.460 0.006 0.000 1.284 282 Y HN 0.449 nan 8.280 nan 0.000 0.466 283 P HA 0.311 nan 4.420 nan 0.000 0.269 283 P C -0.252 177.099 177.300 0.084 0.000 1.209 283 P CA 0.029 63.182 63.100 0.089 0.000 0.776 283 P CB 0.808 32.548 31.700 0.067 0.000 0.876 284 G N 1.851 110.683 108.800 0.054 0.000 2.725 284 G HA2 0.481 4.441 3.960 -0.000 0.000 0.288 284 G HA3 0.481 4.441 3.960 -0.000 0.000 0.288 284 G C -2.238 172.676 174.900 0.024 0.000 1.399 284 G CA -1.132 43.993 45.100 0.040 0.000 0.859 284 G HN 0.140 nan 8.290 nan 0.000 0.479 285 P HA -0.009 nan 4.420 nan 0.000 0.213 285 P C 0.343 177.647 177.300 0.007 0.000 1.170 285 P CA 1.137 64.243 63.100 0.009 0.000 0.902 285 P CB 0.284 31.988 31.700 0.006 0.000 0.789 286 D N -0.475 119.929 120.400 0.007 0.000 2.895 286 D HA 0.392 5.032 4.640 -0.000 0.000 0.258 286 D C 0.923 177.225 176.300 0.002 0.000 1.311 286 D CA 0.285 54.285 54.000 0.001 0.000 0.843 286 D CB 0.413 41.212 40.800 -0.001 0.000 1.055 286 D HN 0.207 nan 8.370 nan 0.000 0.486 287 G N -0.344 108.460 108.800 0.007 0.000 2.422 287 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.607 287 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.607 287 G C -0.525 174.388 174.900 0.020 0.000 1.270 287 G CA -0.984 44.121 45.100 0.007 0.000 0.992 287 G HN 0.088 nan 8.290 nan 0.000 0.499 288 V N 0.416 120.341 119.914 0.018 0.000 2.673 288 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 288 V C 1.289 177.410 176.094 0.046 0.000 1.046 288 V CA 0.645 62.961 62.300 0.028 0.000 1.126 288 V CB 0.689 32.517 31.823 0.008 0.000 0.934 288 V HN 1.764 nan 8.190 nan 0.000 0.487 289 V N 3.736 123.698 119.914 0.081 0.000 3.001 289 V HA 0.808 4.928 4.120 -0.000 0.000 0.314 289 V C -0.555 175.636 176.094 0.162 0.000 1.099 289 V CA -1.156 61.205 62.300 0.102 0.000 0.989 289 V CB 2.325 34.206 31.823 0.097 0.000 1.040 289 V HN 0.829 nan 8.190 nan 0.000 0.434 290 R N 1.065 121.654 120.500 0.149 0.000 2.795 290 R HA 0.610 4.950 4.340 -0.000 0.000 0.275 290 R C 0.442 176.841 176.300 0.164 0.000 0.981 290 R CA -0.042 56.172 56.100 0.190 0.000 0.917 290 R CB 2.202 32.566 30.300 0.106 0.000 1.202 290 R HN 0.940 nan 8.270 nan 0.000 0.469 291 S N -1.373 114.443 115.700 0.192 0.000 2.511 291 S HA 0.011 4.481 4.470 -0.000 0.000 0.214 291 S C 0.739 175.387 174.600 0.080 0.000 0.997 291 S CA 0.047 58.305 58.200 0.098 0.000 0.908 291 S CB 0.212 63.441 63.200 0.050 0.000 0.803 291 S HN 0.715 nan 8.310 nan 0.000 0.504 292 T N -0.195 114.415 114.554 0.094 0.000 2.916 292 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 292 T C -0.846 173.890 174.700 0.061 0.000 1.064 292 T CA -0.792 61.347 62.100 0.066 0.000 1.011 292 T CB 1.674 70.577 68.868 0.060 0.000 1.152 292 T HN 0.020 nan 8.240 nan 0.000 0.510 293 N N -0.633 118.097 118.700 0.049 0.000 2.646 293 N HA 0.273 5.013 4.740 -0.000 0.000 0.303 293 N C 0.932 176.467 175.510 0.041 0.000 1.921 293 N CA -0.556 52.523 53.050 0.048 0.000 0.872 293 N CB 0.235 38.750 38.487 0.047 0.000 1.327 293 N HN 0.598 nan 8.380 nan 0.000 0.492 294 R N -0.295 120.226 120.500 0.035 0.000 2.120 294 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 294 R C 1.685 178.003 176.300 0.029 0.000 1.123 294 R CA 1.627 57.740 56.100 0.021 0.000 0.975 294 R CB -0.012 30.286 30.300 -0.003 0.000 0.866 294 R HN 0.299 nan 8.270 nan 0.000 0.446 295 A N 0.317 123.165 122.820 0.046 0.000 2.168 295 A HA 0.124 4.444 4.320 -0.000 0.000 0.215 295 A C 1.517 179.128 177.584 0.045 0.000 1.152 295 A CA 0.843 52.911 52.037 0.053 0.000 0.716 295 A CB -0.403 18.636 19.000 0.065 0.000 0.794 295 A HN 0.447 nan 8.150 nan 0.000 0.465 296 G N -2.026 106.801 108.800 0.045 0.000 2.221 296 G HA2 0.146 4.106 3.960 -0.000 0.000 0.265 296 G HA3 0.146 4.106 3.960 -0.000 0.000 0.265 296 G C 1.420 176.348 174.900 0.048 0.000 1.041 296 G CA 0.822 45.950 45.100 0.047 0.000 0.807 296 G HN 2.082 nan 8.290 nan 0.000 0.502 297 G N -2.061 106.768 108.800 0.049 0.000 2.159 297 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.256 297 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.256 297 G C 0.212 175.144 174.900 0.052 0.000 0.977 297 G CA 0.616 45.746 45.100 0.050 0.000 0.652 297 G HN 1.487 nan 8.290 nan 0.000 0.531 298 L N -0.001 121.252 121.223 0.050 0.000 2.385 298 L HA 0.736 5.076 4.340 -0.000 0.000 0.273 298 L C -0.344 176.555 176.870 0.047 0.000 0.990 298 L CA -0.763 54.107 54.840 0.051 0.000 0.821 298 L CB 2.143 44.231 42.059 0.049 0.000 1.279 298 L HN 0.148 nan 8.230 nan 0.000 0.412 299 E N 1.178 121.407 120.200 0.048 0.000 2.292 299 E HA 0.435 4.785 4.350 -0.000 0.000 0.272 299 E C 0.241 176.870 176.600 0.047 0.000 0.881 299 E CA -0.437 55.983 56.400 0.035 0.000 0.754 299 E CB 2.152 31.862 29.700 0.016 0.000 1.201 299 E HN 0.809 nan 8.360 nan 0.000 0.425 300 G N 1.900 110.725 108.800 0.042 0.000 2.258 300 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.274 300 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.274 300 G C 0.899 175.878 174.900 0.133 0.000 1.021 300 G CA 0.786 45.934 45.100 0.079 0.000 0.798 300 G HN 1.272 nan 8.290 nan 0.000 0.507 301 G N -2.215 106.640 108.800 0.092 0.000 2.143 301 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.249 301 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.249 301 G C 0.207 175.157 174.900 0.084 0.000 0.981 301 G CA 1.109 46.260 45.100 0.086 0.000 0.665 301 G HN 1.183 nan 8.290 nan 0.000 0.528 302 M N 1.184 120.838 119.600 0.091 0.000 2.535 302 M HA 0.469 4.949 4.480 -0.000 0.000 0.314 302 M C 0.731 177.075 176.300 0.073 0.000 1.153 302 M CA -0.416 54.934 55.300 0.083 0.000 0.924 302 M CB 2.055 34.722 32.600 0.113 0.000 1.710 302 M HN 0.309 nan 8.290 nan 0.000 0.451 303 T N -0.728 113.869 114.554 0.071 0.000 2.902 303 T HA 0.120 4.470 4.350 -0.000 0.000 0.301 303 T C 0.461 175.210 174.700 0.080 0.000 1.012 303 T CA -0.437 61.708 62.100 0.074 0.000 1.151 303 T CB 0.047 68.964 68.868 0.082 0.000 0.946 303 T HN 0.824 nan 8.240 nan 0.000 0.542 304 N N 1.174 119.916 118.700 0.070 0.000 2.200 304 N HA 0.266 5.006 4.740 -0.000 0.000 0.224 304 N C 1.317 176.864 175.510 0.060 0.000 1.179 304 N CA 0.122 53.209 53.050 0.063 0.000 0.877 304 N CB 0.226 38.743 38.487 0.049 0.000 1.072 304 N HN 1.103 nan 8.380 nan 0.000 0.519 305 G N -0.441 108.400 108.800 0.067 0.000 2.279 305 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 305 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 305 G C -0.087 174.843 174.900 0.051 0.000 1.015 305 G CA -0.122 45.015 45.100 0.060 0.000 0.621 305 G HN 0.365 nan 8.290 nan 0.000 0.506 306 Q N 1.153 120.983 119.800 0.050 0.000 2.318 306 Q HA 0.452 4.792 4.340 -0.000 0.000 0.222 306 Q C -2.373 173.653 176.000 0.043 0.000 1.003 306 Q CA -1.558 54.273 55.803 0.046 0.000 0.936 306 Q CB 0.039 28.805 28.738 0.047 0.000 1.204 306 Q HN 0.235 nan 8.270 nan 0.000 0.524 307 P HA -0.015 nan 4.420 nan 0.000 0.265 307 P C -0.552 176.773 177.300 0.042 0.000 1.193 307 P CA -0.194 62.928 63.100 0.036 0.000 0.765 307 P CB 0.254 31.972 31.700 0.030 0.000 0.823 308 L N 5.043 126.291 121.223 0.042 0.000 2.367 308 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 308 L C 0.031 176.929 176.870 0.048 0.000 1.129 308 L CA 0.504 55.371 54.840 0.045 0.000 0.839 308 L CB -0.060 42.026 42.059 0.045 0.000 1.133 308 L HN 0.288 nan 8.230 nan 0.000 0.453 309 R N 4.591 125.122 120.500 0.052 0.000 2.476 309 R HA 0.646 4.986 4.340 -0.000 0.000 0.305 309 R C -1.614 174.719 176.300 0.054 0.000 0.965 309 R CA -0.815 55.321 56.100 0.060 0.000 0.867 309 R CB 2.010 32.351 30.300 0.069 0.000 1.176 309 R HN 0.463 nan 8.270 nan 0.000 0.447 310 V N 4.074 124.018 119.914 0.051 0.000 2.483 310 V HA 0.469 4.589 4.120 -0.000 0.000 0.297 310 V C -0.059 176.058 176.094 0.039 0.000 1.027 310 V CA -0.861 61.466 62.300 0.044 0.000 0.855 310 V CB 1.975 33.821 31.823 0.038 0.000 0.995 310 V HN 0.642 nan 8.190 nan 0.000 0.424 311 R N 2.713 123.238 120.500 0.042 0.000 2.604 311 R HA 0.887 5.227 4.340 -0.000 0.000 0.287 311 R C -0.553 175.767 176.300 0.033 0.000 0.970 311 R CA -0.575 55.543 56.100 0.030 0.000 0.946 311 R CB 2.288 32.610 30.300 0.036 0.000 1.127 311 R HN 0.794 nan 8.270 nan 0.000 0.473 312 A N 1.190 124.019 122.820 0.015 0.000 2.393 312 A HA 0.706 5.026 4.320 -0.000 0.000 0.306 312 A C -1.088 176.497 177.584 0.001 0.000 1.050 312 A CA -0.688 51.358 52.037 0.015 0.000 0.724 312 A CB 1.838 20.844 19.000 0.009 0.000 1.248 312 A HN 0.738 nan 8.150 nan 0.000 0.424 313 A N 2.848 125.668 122.820 -0.001 0.000 2.252 313 A HA 0.644 4.964 4.320 -0.000 0.000 0.309 313 A C -0.140 177.433 177.584 -0.018 0.000 1.285 313 A CA -0.254 51.773 52.037 -0.017 0.000 0.900 313 A CB 0.194 19.175 19.000 -0.032 0.000 1.157 313 A HN 1.049 nan 8.150 nan 0.000 0.536 314 M N 4.349 123.938 119.600 -0.020 0.000 2.180 314 M HA 0.343 4.823 4.480 -0.000 0.000 0.350 314 M C 0.260 176.545 176.300 -0.025 0.000 1.125 314 M CA -0.609 54.678 55.300 -0.022 0.000 1.031 314 M CB 0.990 33.579 32.600 -0.020 0.000 1.623 314 M HN 0.775 nan 8.290 nan 0.000 0.451 315 K N 5.977 126.359 120.400 -0.029 0.000 2.258 315 K HA 0.471 4.791 4.320 -0.000 0.000 0.264 315 K C -2.728 173.856 176.600 -0.027 0.000 1.007 315 K CA -1.352 54.917 56.287 -0.029 0.000 0.941 315 K CB 0.010 32.491 32.500 -0.032 0.000 0.966 315 K HN 0.321 nan 8.250 nan 0.000 0.480 316 P HA 0.022 nan 4.420 nan 0.000 0.268 316 P C 0.064 177.351 177.300 -0.021 0.000 1.205 316 P CA -0.042 63.046 63.100 -0.020 0.000 0.771 316 P CB 0.373 32.063 31.700 -0.016 0.000 0.858 317 I N 1.867 122.425 120.570 -0.020 0.000 2.919 317 I HA -0.195 3.975 4.170 -0.000 0.000 0.303 317 I C 1.932 178.046 176.117 -0.004 0.000 1.221 317 I CA 0.864 62.156 61.300 -0.014 0.000 1.444 317 I CB 0.253 38.246 38.000 -0.012 0.000 1.331 317 I HN 0.464 nan 8.210 nan 0.000 0.572 318 S N 2.128 117.835 115.700 0.012 0.000 2.478 318 S HA -0.011 4.459 4.470 -0.000 0.000 0.222 318 S C 0.883 175.504 174.600 0.035 0.000 1.008 318 S CA -0.047 58.169 58.200 0.027 0.000 0.928 318 S CB -0.142 63.084 63.200 0.043 0.000 0.781 318 S HN 0.686 nan 8.310 nan 0.000 0.518 319 T N 3.660 118.236 114.554 0.036 0.000 2.978 319 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 319 T C -0.335 174.349 174.700 -0.027 0.000 0.945 319 T CA -0.241 61.855 62.100 -0.007 0.000 1.070 319 T CB 0.171 69.018 68.868 -0.035 0.000 0.948 319 T HN 0.137 nan 8.240 nan 0.000 0.617 320 V N 6.878 126.783 119.914 -0.015 0.000 2.432 320 V HA 0.174 4.294 4.120 -0.000 0.000 0.275 320 V C -1.280 174.812 176.094 -0.003 0.000 1.043 320 V CA -1.964 60.331 62.300 -0.009 0.000 0.925 320 V CB 1.459 33.283 31.823 0.002 0.000 0.985 320 V HN 0.472 nan 8.190 nan 0.000 0.466 321 P HA -0.233 nan 4.420 nan 0.000 0.218 321 P C 1.301 178.653 177.300 0.086 0.000 1.152 321 P CA 1.357 64.485 63.100 0.046 0.000 0.857 321 P CB 0.061 31.791 31.700 0.050 0.000 0.787 322 R N -0.691 119.841 120.500 0.054 0.000 2.313 322 R HA 0.422 4.762 4.340 -0.000 0.000 0.199 322 R C 0.452 176.784 176.300 0.052 0.000 0.958 322 R CA -0.217 55.915 56.100 0.054 0.000 1.047 322 R CB -1.644 28.676 30.300 0.033 0.000 0.955 322 R HN 0.042 nan 8.270 nan 0.000 0.481 323 A N 0.433 123.281 122.820 0.047 0.000 2.132 323 A HA -0.176 4.144 4.320 -0.000 0.000 0.570 323 A C -0.169 177.432 177.584 0.027 0.000 0.379 323 A CA 0.462 52.521 52.037 0.037 0.000 0.549 323 A CB -1.105 17.929 19.000 0.056 0.000 3.263 323 A HN 0.397 nan 8.150 nan 0.000 0.453 324 L N 1.437 122.671 121.223 0.019 0.000 2.479 324 L HA 0.564 4.904 4.340 -0.000 0.000 0.248 324 L C 1.272 178.148 176.870 0.010 0.000 1.205 324 L CA -0.139 54.708 54.840 0.012 0.000 0.817 324 L CB 0.604 42.668 42.059 0.008 0.000 1.162 324 L HN 1.182 nan 8.230 nan 0.000 0.486 325 A N 0.458 123.280 122.820 0.003 0.000 2.401 325 A HA 0.527 4.847 4.320 -0.000 0.000 0.259 325 A C -0.029 177.551 177.584 -0.008 0.000 1.103 325 A CA 0.156 52.193 52.037 -0.000 0.000 0.789 325 A CB 0.705 19.702 19.000 -0.004 0.000 1.035 325 A HN 0.707 nan 8.150 nan 0.000 0.491 326 T N 0.555 115.106 114.554 -0.005 0.000 2.626 326 T HA 0.556 4.906 4.350 -0.000 0.000 0.299 326 T C -1.331 173.365 174.700 -0.007 0.000 1.181 326 T CA -0.221 61.870 62.100 -0.014 0.000 1.053 326 T CB 0.892 69.760 68.868 0.000 0.000 1.566 326 T HN 0.731 nan 8.240 nan 0.000 0.486 327 V N 2.319 122.232 119.914 -0.002 0.000 2.604 327 V HA 0.470 4.590 4.120 -0.000 0.000 0.305 327 V C -0.789 175.329 176.094 0.040 0.000 1.043 327 V CA -0.833 61.477 62.300 0.016 0.000 0.888 327 V CB 1.802 33.632 31.823 0.011 0.000 0.995 327 V HN 0.877 nan 8.190 nan 0.000 0.429 328 D N 3.414 123.838 120.400 0.040 0.000 2.336 328 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 328 D C 0.995 177.330 176.300 0.059 0.000 1.213 328 D CA 0.007 54.035 54.000 0.048 0.000 0.870 328 D CB 1.291 42.113 40.800 0.037 0.000 1.076 328 D HN 0.461 nan 8.370 nan 0.000 0.483 329 L N 3.169 124.440 121.223 0.079 0.000 2.275 329 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 329 L C 2.303 179.213 176.870 0.067 0.000 1.119 329 L CA 0.760 55.654 54.840 0.090 0.000 0.790 329 L CB -0.277 41.852 42.059 0.117 0.000 0.919 329 L HN 0.424 nan 8.230 nan 0.000 0.443 330 A N 0.241 123.095 122.820 0.056 0.000 1.930 330 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 330 A C 2.331 179.938 177.584 0.038 0.000 1.175 330 A CA 2.200 54.264 52.037 0.045 0.000 0.627 330 A CB -0.489 18.535 19.000 0.039 0.000 0.815 330 A HN 0.491 nan 8.150 nan 0.000 0.443 331 T N -6.493 108.083 114.554 0.037 0.000 2.955 331 T HA 0.439 4.789 4.350 -0.000 0.000 0.251 331 T C 1.446 176.164 174.700 0.030 0.000 1.002 331 T CA 1.082 63.200 62.100 0.030 0.000 0.970 331 T CB 0.450 69.334 68.868 0.025 0.000 1.091 331 T HN 1.702 nan 8.240 nan 0.000 0.495 332 G N 1.531 110.352 108.800 0.036 0.000 2.176 332 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.253 332 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.253 332 G C -0.373 174.542 174.900 0.026 0.000 0.979 332 G CA 0.079 45.200 45.100 0.034 0.000 0.641 332 G HN 0.598 nan 8.290 nan 0.000 0.530 333 D N 0.733 121.147 120.400 0.024 0.000 2.313 333 D HA 0.425 5.065 4.640 -0.000 0.000 0.247 333 D C 0.771 177.081 176.300 0.017 0.000 1.094 333 D CA -0.321 53.690 54.000 0.018 0.000 0.925 333 D CB 0.781 41.591 40.800 0.017 0.000 1.188 333 D HN 0.459 nan 8.370 nan 0.000 0.430 334 E N -0.158 120.049 120.200 0.011 0.000 2.534 334 E HA 0.241 4.591 4.350 -0.000 0.000 0.264 334 E C -0.965 175.642 176.600 0.012 0.000 0.981 334 E CA 0.114 56.519 56.400 0.008 0.000 0.948 334 E CB 0.405 30.109 29.700 0.006 0.000 0.934 334 E HN 0.461 nan 8.360 nan 0.000 0.459 335 A N 2.953 125.781 122.820 0.012 0.000 2.581 335 A HA 0.517 4.837 4.320 -0.000 0.000 0.290 335 A C -1.396 176.198 177.584 0.017 0.000 1.119 335 A CA -0.742 51.306 52.037 0.017 0.000 0.670 335 A CB 1.391 20.405 19.000 0.023 0.000 1.280 335 A HN 0.384 nan 8.150 nan 0.000 0.425 336 V N 0.807 120.735 119.914 0.022 0.000 2.612 336 V HA 0.645 4.765 4.120 -0.000 0.000 0.301 336 V C 0.979 177.094 176.094 0.034 0.000 1.046 336 V CA 0.035 62.351 62.300 0.027 0.000 0.946 336 V CB 1.472 33.314 31.823 0.030 0.000 1.003 336 V HN 1.476 nan 8.190 nan 0.000 0.459 337 A N 4.616 127.457 122.820 0.035 0.000 2.366 337 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 337 A C 0.308 177.922 177.584 0.049 0.000 1.084 337 A CA -0.441 51.618 52.037 0.037 0.000 0.794 337 A CB 0.002 19.020 19.000 0.030 0.000 1.034 337 A HN 0.976 nan 8.150 nan 0.000 0.491 338 I N -0.147 120.450 120.570 0.045 0.000 2.845 338 I HA 0.028 4.198 4.170 -0.000 0.000 0.296 338 I C 0.529 176.688 176.117 0.069 0.000 1.216 338 I CA 0.022 61.357 61.300 0.058 0.000 1.438 338 I CB 0.203 38.226 38.000 0.039 0.000 1.342 338 I HN 0.702 nan 8.210 nan 0.000 0.577 339 H N 6.583 125.664 119.070 0.017 0.000 2.690 339 H HA 0.372 4.928 4.556 0.000 0.000 0.314 339 H C -0.793 174.551 175.328 0.027 0.000 1.069 339 H CA 0.012 56.073 56.048 0.021 0.000 1.436 339 H CB 1.090 30.864 29.762 0.020 0.000 1.462 339 H HN 0.723 nan 8.280 nan 0.000 0.511 340 Q N 2.958 122.554 119.800 -0.339 0.000 2.831 340 Q HA 0.211 4.551 4.340 -0.000 0.000 0.322 340 Q C -0.502 175.374 176.000 -0.208 0.000 0.923 340 Q CA -1.021 54.694 55.803 -0.146 0.000 0.767 340 Q CB 1.736 30.419 28.738 -0.090 0.000 1.469 340 Q HN 0.685 nan 8.270 nan 0.000 0.496 341 R N 0.675 121.141 120.500 -0.058 0.000 2.537 341 R HA 0.167 4.507 4.340 -0.000 0.000 0.281 341 R C -0.586 175.678 176.300 -0.060 0.000 0.988 341 R CA 0.597 56.680 56.100 -0.029 0.000 1.077 341 R CB 0.229 30.537 30.300 0.014 0.000 0.932 341 R HN 0.443 nan 8.270 nan 0.000 0.409 342 S N 2.684 118.349 115.700 -0.058 0.000 2.540 342 S HA 0.393 4.863 4.470 -0.000 0.000 0.275 342 S C -1.623 172.960 174.600 -0.028 0.000 1.123 342 S CA -0.921 57.250 58.200 -0.048 0.000 0.907 342 S CB 1.506 64.660 63.200 -0.076 0.000 1.081 342 S HN 0.678 nan 8.310 nan 0.000 0.476 343 D N 1.843 122.226 120.400 -0.028 0.000 2.493 343 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 343 D C 1.102 177.374 176.300 -0.048 0.000 1.049 343 D CA -0.516 53.461 54.000 -0.039 0.000 1.008 343 D CB 2.032 42.810 40.800 -0.037 0.000 1.398 343 D HN 0.311 nan 8.370 nan 0.000 0.513 344 V N -0.281 119.589 119.914 -0.073 0.000 2.453 344 V HA -0.034 4.086 4.120 -0.000 0.000 0.247 344 V C 0.963 177.019 176.094 -0.063 0.000 1.048 344 V CA 0.956 63.212 62.300 -0.074 0.000 1.049 344 V CB 0.120 31.874 31.823 -0.114 0.000 0.672 344 V HN 0.605 nan 8.190 nan 0.000 0.457 345 C N -0.847 118.410 119.300 -0.071 0.000 2.931 345 C HA 0.705 5.165 4.460 -0.000 0.000 0.370 345 C C 0.474 175.441 174.990 -0.038 0.000 1.071 345 C CA -0.209 58.781 59.018 -0.047 0.000 1.266 345 C CB 1.085 28.800 27.740 -0.042 0.000 1.691 345 C HN 0.414 nan 8.230 nan 0.000 0.511 346 A N 4.049 126.854 122.820 -0.024 0.000 2.606 346 A HA 0.384 4.704 4.320 -0.000 0.000 0.290 346 A C 1.078 178.657 177.584 -0.009 0.000 1.174 346 A CA 0.334 52.361 52.037 -0.016 0.000 0.958 346 A CB -0.005 18.985 19.000 -0.017 0.000 1.194 346 A HN 0.882 nan 8.150 nan 0.000 0.526 347 V N 0.929 120.839 119.914 -0.006 0.000 2.295 347 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 347 V C -0.228 175.868 176.094 0.004 0.000 1.049 347 V CA 2.610 64.909 62.300 -0.002 0.000 1.024 347 V CB -1.214 30.609 31.823 -0.000 0.000 0.648 347 V HN 0.379 nan 8.190 nan 0.000 0.447 348 P HA -0.181 nan 4.420 nan 0.000 0.216 348 P C 1.691 178.999 177.300 0.014 0.000 1.153 348 P CA 2.160 65.273 63.100 0.021 0.000 0.858 348 P CB -0.159 31.562 31.700 0.036 0.000 0.789 349 A N -0.067 122.758 122.820 0.009 0.000 1.898 349 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 349 A C 2.340 179.923 177.584 -0.002 0.000 1.181 349 A CA 1.995 54.034 52.037 0.004 0.000 0.620 349 A CB -1.615 17.385 19.000 0.000 0.000 0.819 349 A HN 0.185 nan 8.150 nan 0.000 0.442 350 A N -0.326 122.491 122.820 -0.005 0.000 1.940 350 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 350 A C 2.401 179.981 177.584 -0.007 0.000 1.176 350 A CA 2.047 54.078 52.037 -0.009 0.000 0.631 350 A CB -1.418 17.575 19.000 -0.011 0.000 0.814 350 A HN 0.748 nan 8.150 nan 0.000 0.446 351 G N -0.519 108.279 108.800 -0.003 0.000 2.446 351 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 351 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 351 G C 1.507 176.408 174.900 0.001 0.000 1.168 351 G CA 1.299 46.398 45.100 -0.001 0.000 0.771 351 G HN 0.350 nan 8.290 nan 0.000 0.551 352 V N 0.593 120.507 119.914 0.001 0.000 2.407 352 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 352 V C 3.037 179.122 176.094 -0.015 0.000 1.055 352 V CA 1.533 63.831 62.300 -0.004 0.000 1.049 352 V CB -0.402 31.419 31.823 -0.002 0.000 0.662 352 V HN 0.260 nan 8.190 nan 0.000 0.455 353 V N -0.349 119.555 119.914 -0.017 0.000 2.358 353 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 353 V C 2.432 178.509 176.094 -0.029 0.000 1.047 353 V CA 1.753 64.037 62.300 -0.025 0.000 1.035 353 V CB -0.472 31.338 31.823 -0.021 0.000 0.658 353 V HN 0.414 nan 8.190 nan 0.000 0.452 354 V N 0.160 120.064 119.914 -0.018 0.000 2.332 354 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 354 V C 2.442 178.523 176.094 -0.022 0.000 1.055 354 V CA 2.231 64.522 62.300 -0.015 0.000 1.038 354 V CB -0.778 31.043 31.823 -0.004 0.000 0.651 354 V HN 0.634 nan 8.190 nan 0.000 0.450 355 E N -0.273 119.915 120.200 -0.019 0.000 2.070 355 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 355 E C 2.309 178.880 176.600 -0.050 0.000 1.004 355 E CA 1.899 58.286 56.400 -0.023 0.000 0.805 355 E CB -0.382 29.308 29.700 -0.016 0.000 0.744 355 E HN 0.538 nan 8.360 nan 0.000 0.451 356 T N 0.657 115.172 114.554 -0.065 0.000 2.746 356 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 356 T C 1.739 176.336 174.700 -0.172 0.000 1.039 356 T CA 1.117 63.151 62.100 -0.110 0.000 1.142 356 T CB -0.011 68.796 68.868 -0.101 0.000 0.866 356 T HN 0.060 nan 8.240 nan 0.000 0.444 357 M N 0.644 120.162 119.600 -0.137 0.000 2.132 357 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 357 M C 2.460 178.684 176.300 -0.128 0.000 1.065 357 M CA 0.920 56.126 55.300 -0.156 0.000 1.122 357 M CB -1.474 31.087 32.600 -0.064 0.000 1.365 357 M HN 0.123 nan 8.290 nan 0.000 0.411 358 V N 0.837 120.709 119.914 -0.070 0.000 2.287 358 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 358 V C 2.750 178.811 176.094 -0.055 0.000 1.053 358 V CA 1.954 64.232 62.300 -0.037 0.000 1.027 358 V CB -1.444 30.373 31.823 -0.010 0.000 0.646 358 V HN 0.486 nan 8.190 nan 0.000 0.447 359 A N -0.347 122.424 122.820 -0.081 0.000 1.908 359 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 359 A C 2.230 179.736 177.584 -0.131 0.000 1.181 359 A CA 1.989 53.982 52.037 -0.073 0.000 0.627 359 A CB -0.581 18.375 19.000 -0.072 0.000 0.818 359 A HN 0.501 nan 8.150 nan 0.000 0.445 360 L N -0.707 120.326 121.223 -0.317 0.000 2.017 360 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 360 L C 2.568 179.239 176.870 -0.332 0.000 1.073 360 L CA 1.308 55.768 54.840 -0.632 0.000 0.745 360 L CB -0.561 40.616 42.059 -1.471 0.000 0.894 360 L HN 0.257 nan 8.230 nan 0.000 0.432 361 V N -0.045 119.785 119.914 -0.138 0.000 2.343 361 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 361 V C 2.364 178.521 176.094 0.105 0.000 1.051 361 V CA 1.608 63.980 62.300 0.120 0.000 1.036 361 V CB -0.356 31.536 31.823 0.114 0.000 0.654 361 V HN 0.333 nan 8.190 nan 0.000 0.451 362 L N 0.064 121.323 121.223 0.061 0.000 2.046 362 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 362 L C 2.741 179.699 176.870 0.146 0.000 1.077 362 L CA 1.595 56.492 54.840 0.094 0.000 0.747 362 L CB -0.836 41.270 42.059 0.079 0.000 0.896 362 L HN 0.358 nan 8.230 nan 0.000 0.432 363 A N 0.077 122.984 122.820 0.145 0.000 1.902 363 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 363 A C 2.440 180.084 177.584 0.099 0.000 1.181 363 A CA 1.826 53.984 52.037 0.202 0.000 0.623 363 A CB -0.587 18.487 19.000 0.123 0.000 0.818 363 A HN 0.351 nan 8.150 nan 0.000 0.443 364 R N -0.407 120.170 120.500 0.129 0.000 2.073 364 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 364 R C 2.299 178.646 176.300 0.079 0.000 1.134 364 R CA 1.532 57.712 56.100 0.133 0.000 0.952 364 R CB -0.417 30.047 30.300 0.273 0.000 0.850 364 R HN 0.434 nan 8.270 nan 0.000 0.433 365 A N 0.630 123.506 122.820 0.092 0.000 1.902 365 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 365 A C 2.350 179.945 177.584 0.019 0.000 1.181 365 A CA 1.596 53.658 52.037 0.042 0.000 0.623 365 A CB -0.748 18.281 19.000 0.049 0.000 0.818 365 A HN 0.551 nan 8.150 nan 0.000 0.443 366 A N -0.183 122.715 122.820 0.129 0.000 1.877 366 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 366 A C 2.151 179.873 177.584 0.230 0.000 1.186 366 A CA 1.563 53.753 52.037 0.255 0.000 0.620 366 A CB -0.627 18.675 19.000 0.503 0.000 0.822 366 A HN 0.472 nan 8.150 nan 0.000 0.443 367 L N -1.005 120.303 121.223 0.142 0.000 2.141 367 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 367 L C 2.586 179.454 176.870 -0.003 0.000 1.094 367 L CA 1.474 56.349 54.840 0.059 0.000 0.763 367 L CB -0.394 41.610 42.059 -0.092 0.000 0.908 367 L HN 0.460 nan 8.230 nan 0.000 0.437 368 E N 0.896 121.069 120.200 -0.045 0.000 2.051 368 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 368 E C 2.138 178.637 176.600 -0.169 0.000 0.991 368 E CA 1.666 58.008 56.400 -0.096 0.000 0.799 368 E CB 0.023 29.666 29.700 -0.096 0.000 0.748 368 E HN 0.264 nan 8.360 nan 0.000 0.449 369 K N -1.390 118.836 120.400 -0.290 0.000 2.044 369 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 369 K C 1.484 177.801 176.600 -0.471 0.000 1.049 369 K CA 1.247 57.219 56.287 -0.524 0.000 0.945 369 K CB -0.155 31.782 32.500 -0.939 0.000 0.724 369 K HN 0.128 nan 8.250 nan 0.000 0.440 370 F N 0.673 120.594 119.950 -0.048 0.000 2.754 370 F HA 0.288 4.815 4.527 0.000 0.000 0.297 370 F C 1.465 177.269 175.800 0.006 0.000 1.122 370 F CA 0.420 58.408 58.000 -0.020 0.000 1.400 370 F CB -0.148 38.867 39.000 0.024 0.000 1.117 370 F HN 0.313 nan 8.300 nan 0.000 0.587 371 G N 0.447 109.323 108.800 0.127 0.000 2.578 371 G HA2 0.177 4.137 3.960 -0.000 0.000 0.275 371 G HA3 0.177 4.137 3.960 -0.000 0.000 0.275 371 G C 0.408 175.369 174.900 0.102 0.000 1.271 371 G CA 0.066 45.212 45.100 0.077 0.000 0.941 371 G HN 1.348 nan 8.290 nan 0.000 0.564 372 G N -2.400 106.440 108.800 0.067 0.000 2.692 372 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 372 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 372 G C -0.052 174.873 174.900 0.042 0.000 1.243 372 G CA 0.720 45.858 45.100 0.064 0.000 0.782 372 G HN 1.211 nan 8.290 nan 0.000 0.625 373 D N -0.617 119.805 120.400 0.035 0.000 2.454 373 D HA 0.198 4.838 4.640 -0.000 0.000 0.219 373 D C 1.499 177.818 176.300 0.032 0.000 1.081 373 D CA 1.273 55.287 54.000 0.023 0.000 0.867 373 D CB 0.716 41.526 40.800 0.016 0.000 1.054 373 D HN 0.880 nan 8.370 nan 0.000 0.500 374 S N -0.083 115.644 115.700 0.045 0.000 2.568 374 S HA 0.299 4.769 4.470 -0.000 0.000 0.293 374 S C 0.797 175.440 174.600 0.072 0.000 1.089 374 S CA -0.730 57.502 58.200 0.052 0.000 0.945 374 S CB 2.566 65.790 63.200 0.041 0.000 1.077 374 S HN -0.092 nan 8.310 nan 0.000 0.485 375 L N 2.231 123.501 121.223 0.078 0.000 2.043 375 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 375 L C 2.621 179.510 176.870 0.031 0.000 1.075 375 L CA 2.736 57.623 54.840 0.079 0.000 0.752 375 L CB -1.374 40.702 42.059 0.027 0.000 0.891 375 L HN 0.993 nan 8.230 nan 0.000 0.432 376 A N -1.089 121.741 122.820 0.017 0.000 1.940 376 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 376 A C 2.323 179.914 177.584 0.012 0.000 1.176 376 A CA 1.847 53.887 52.037 0.004 0.000 0.631 376 A CB -0.701 18.304 19.000 0.009 0.000 0.814 376 A HN 0.655 nan 8.150 nan 0.000 0.446 377 E N -0.723 119.495 120.200 0.029 0.000 2.028 377 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 377 E C 1.991 178.618 176.600 0.046 0.000 0.988 377 E CA 1.675 58.096 56.400 0.036 0.000 0.799 377 E CB -0.195 29.531 29.700 0.042 0.000 0.755 377 E HN 0.534 nan 8.360 nan 0.000 0.447 378 T N 1.042 115.638 114.554 0.070 0.000 2.720 378 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 378 T C 1.855 176.550 174.700 -0.007 0.000 1.037 378 T CA 1.625 63.781 62.100 0.094 0.000 1.144 378 T CB -0.245 68.743 68.868 0.201 0.000 0.864 378 T HN 0.279 nan 8.240 nan 0.000 0.444 379 Q N 0.384 120.161 119.800 -0.038 0.000 2.084 379 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 379 Q C 2.664 178.615 176.000 -0.082 0.000 0.978 379 Q CA 1.178 56.921 55.803 -0.099 0.000 0.844 379 Q CB -0.151 28.535 28.738 -0.087 0.000 0.898 379 Q HN 0.449 nan 8.270 nan 0.000 0.426 380 R N 0.368 120.848 120.500 -0.033 0.000 2.081 380 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 380 R C 1.862 178.161 176.300 -0.001 0.000 1.131 380 R CA 1.342 57.434 56.100 -0.014 0.000 0.960 380 R CB -0.177 30.127 30.300 0.007 0.000 0.856 380 R HN 0.300 nan 8.270 nan 0.000 0.436 381 N N 0.739 119.449 118.700 0.016 0.000 2.188 381 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 381 N C 1.844 177.380 175.510 0.042 0.000 1.018 381 N CA 1.083 54.180 53.050 0.078 0.000 0.858 381 N CB -0.192 38.384 38.487 0.149 0.000 0.989 381 N HN 0.202 nan 8.380 nan 0.000 0.426 382 I N 1.119 121.555 120.570 -0.223 0.000 2.179 382 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 382 I C 2.298 178.328 176.117 -0.145 0.000 1.088 382 I CA 1.180 62.160 61.300 -0.533 0.000 1.357 382 I CB -0.332 37.242 38.000 -0.709 0.000 1.051 382 I HN 0.073 nan 8.210 nan 0.000 0.409 383 A N 0.661 123.422 122.820 -0.098 0.000 1.908 383 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 383 A C 2.525 180.114 177.584 0.009 0.000 1.181 383 A CA 2.039 54.050 52.037 -0.043 0.000 0.627 383 A CB -0.927 18.048 19.000 -0.042 0.000 0.818 383 A HN 0.454 nan 8.150 nan 0.000 0.445 384 A N -1.562 121.285 122.820 0.044 0.000 1.902 384 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 384 A C 2.153 179.809 177.584 0.120 0.000 1.181 384 A CA 1.692 53.772 52.037 0.071 0.000 0.623 384 A CB -0.819 18.232 19.000 0.084 0.000 0.818 384 A HN 0.762 nan 8.150 nan 0.000 0.443 385 Y N 0.615 120.956 120.300 0.069 0.000 2.145 385 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 385 Y C 2.488 178.435 175.900 0.078 0.000 1.145 385 Y CA 2.286 60.458 58.100 0.119 0.000 1.148 385 Y CB -0.536 38.098 38.460 0.290 0.000 0.981 385 Y HN 0.442 nan 8.280 nan 0.000 0.507 386 Q N -0.182 119.606 119.800 -0.020 0.000 2.096 386 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 386 Q C 2.407 178.329 176.000 -0.131 0.000 0.982 386 Q CA 1.795 57.522 55.803 -0.127 0.000 0.850 386 Q CB -0.240 28.476 28.738 -0.037 0.000 0.901 386 Q HN 0.475 nan 8.270 nan 0.000 0.422 387 R N 0.242 120.700 120.500 -0.070 0.000 2.081 387 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 387 R C 2.714 178.971 176.300 -0.071 0.000 1.131 387 R CA 1.606 57.672 56.100 -0.055 0.000 0.960 387 R CB -0.361 29.924 30.300 -0.024 0.000 0.856 387 R HN 0.311 nan 8.270 nan 0.000 0.436 388 S N 0.185 115.835 115.700 -0.083 0.000 2.370 388 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 388 S C 2.117 176.640 174.600 -0.130 0.000 1.033 388 S CA 1.462 59.614 58.200 -0.080 0.000 1.011 388 S CB -0.506 62.669 63.200 -0.041 0.000 0.852 388 S HN 0.078 nan 8.310 nan 0.000 0.457 389 V N 2.533 122.303 119.914 -0.241 0.000 2.307 389 V HA -0.034 4.086 4.120 -0.000 0.000 0.245 389 V C 3.201 179.221 176.094 -0.124 0.000 1.045 389 V CA 1.538 63.703 62.300 -0.225 0.000 1.024 389 V CB -1.531 30.081 31.823 -0.352 0.000 0.651 389 V HN 0.681 nan 8.190 nan 0.000 0.449 390 A N 0.039 122.794 122.820 -0.108 0.000 1.908 390 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 390 A C 1.845 179.400 177.584 -0.048 0.000 1.181 390 A CA 2.087 54.085 52.037 -0.064 0.000 0.627 390 A CB -0.684 18.284 19.000 -0.054 0.000 0.818 390 A HN 0.534 nan 8.150 nan 0.000 0.445 391 D N -0.254 120.117 120.400 -0.048 0.000 2.392 391 D HA -0.009 4.631 4.640 -0.000 0.000 0.228 391 D C 1.060 177.343 176.300 -0.028 0.000 1.003 391 D CA 0.472 54.453 54.000 -0.032 0.000 0.917 391 D CB -0.090 40.694 40.800 -0.026 0.000 0.890 391 D HN 0.503 nan 8.370 nan 0.000 0.532 392 R N 0.000 120.478 120.500 -0.036 0.000 2.786 392 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 392 R CA 0.000 56.083 56.100 -0.028 0.000 0.921 392 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535