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 1i83_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVXMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.325 176.600 -0.459 0.000 0.988 69 K CA 0.000 56.030 56.287 -0.428 0.000 0.838 69 K CB 0.000 32.139 32.500 -0.601 0.000 1.064 70 F N 5.232 125.201 119.950 0.032 0.000 2.391 70 F HA 0.337 4.865 4.527 0.002 0.000 0.359 70 F C -2.033 173.861 175.800 0.156 0.000 1.122 70 F CA -2.034 56.009 58.000 0.072 0.000 1.120 70 F CB 0.697 39.739 39.000 0.069 0.000 1.142 70 F HN 0.013 nan 8.300 nan 0.000 0.483 71 P HA 0.064 nan 4.420 nan 0.000 0.271 71 P C -0.702 176.666 177.300 0.113 0.000 1.216 71 P CA -0.452 62.750 63.100 0.169 0.000 0.771 71 P CB 1.081 32.846 31.700 0.108 0.000 0.864 72 R N 2.499 122.993 120.500 -0.010 0.000 2.234 72 R HA 0.364 4.705 4.340 0.002 0.000 0.324 72 R C -0.854 175.313 176.300 -0.222 0.000 1.054 72 R CA -0.481 55.389 56.100 -0.382 0.000 0.912 72 R CB 0.422 30.558 30.300 -0.273 0.000 1.030 72 R HN 0.281 nan 8.270 nan 0.000 0.455 73 V N 5.438 125.192 119.914 -0.265 0.000 2.384 73 V HA 0.331 4.452 4.120 0.002 0.000 0.287 73 V C -0.144 175.868 176.094 -0.138 0.000 1.020 73 V CA -0.660 61.575 62.300 -0.109 0.000 0.850 73 V CB 1.386 33.187 31.823 -0.036 0.000 0.987 73 V HN 0.710 nan 8.190 nan 0.000 0.436 74 K N 3.952 124.296 120.400 -0.093 0.000 2.259 74 K HA 0.436 4.757 4.320 0.002 0.000 0.249 74 K C -0.668 175.858 176.600 -0.123 0.000 0.942 74 K CA -0.732 55.433 56.287 -0.203 0.000 0.816 74 K CB 1.582 33.828 32.500 -0.422 0.000 1.155 74 K HN 0.699 nan 8.250 nan 0.000 0.428 75 N N 3.921 122.527 118.700 -0.156 0.000 2.444 75 N HA 0.108 4.849 4.740 0.002 0.000 0.262 75 N C -0.371 175.084 175.510 -0.092 0.000 0.974 75 N CA -0.379 52.679 53.050 0.014 0.000 0.933 75 N CB 0.506 39.020 38.487 0.045 0.000 1.137 75 N HN 0.669 nan 8.380 nan 0.000 0.498 76 W N 2.081 123.458 121.300 0.129 0.000 2.937 76 W HA 0.123 4.784 4.660 0.002 0.000 0.245 76 W C 2.014 178.581 176.519 0.079 0.000 1.306 76 W CA -0.107 57.304 57.345 0.111 0.000 1.470 76 W CB 0.275 29.823 29.460 0.147 0.000 1.132 76 W HN 0.669 nan 8.180 nan 0.000 0.675 77 E N 0.261 120.591 120.200 0.216 0.000 2.140 77 E HA -0.073 4.279 4.350 0.002 0.000 0.191 77 E C 1.705 178.326 176.600 0.034 0.000 0.973 77 E CA 0.897 57.335 56.400 0.063 0.000 0.829 77 E CB -0.117 29.594 29.700 0.018 0.000 0.781 77 E HN 0.262 nan 8.360 nan 0.000 0.466 78 L N -1.145 120.095 121.223 0.029 0.000 2.515 78 L HA 0.354 4.695 4.340 0.002 0.000 0.223 78 L C 1.608 178.453 176.870 -0.041 0.000 1.079 78 L CA 0.479 55.318 54.840 -0.002 0.000 0.857 78 L CB 0.619 42.682 42.059 0.006 0.000 1.050 78 L HN 0.424 nan 8.230 nan 0.000 0.476 79 G N 0.472 109.217 108.800 -0.092 0.000 2.176 79 G HA2 -0.298 3.663 3.960 0.002 0.000 0.253 79 G HA3 -0.298 3.663 3.960 0.002 0.000 0.253 79 G C 0.427 175.232 174.900 -0.159 0.000 0.979 79 G CA 0.348 45.354 45.100 -0.157 0.000 0.641 79 G HN 0.436 nan 8.290 nan 0.000 0.530 80 S N -0.125 115.507 115.700 -0.115 0.000 2.576 80 S HA 0.711 5.182 4.470 0.002 0.000 0.276 80 S C 0.172 174.691 174.600 -0.135 0.000 1.339 80 S CA -0.173 57.969 58.200 -0.096 0.000 1.039 80 S CB 1.883 65.051 63.200 -0.054 0.000 0.902 80 S HN 0.637 nan 8.310 nan 0.000 0.516 81 I N 1.514 122.010 120.570 -0.122 0.000 2.730 81 I HA 0.562 4.733 4.170 0.002 0.000 0.298 81 I C -0.048 175.979 176.117 -0.149 0.000 1.089 81 I CA -0.552 60.644 61.300 -0.172 0.000 1.041 81 I CB 2.720 40.600 38.000 -0.200 0.000 1.235 81 I HN 0.992 nan 8.210 nan 0.000 0.423 82 T N 0.501 114.921 114.554 -0.223 0.000 2.841 82 T HA 0.616 4.967 4.350 0.002 0.000 0.296 82 T C -1.402 173.100 174.700 -0.329 0.000 1.166 82 T CA -0.792 61.220 62.100 -0.147 0.000 1.007 82 T CB 1.677 70.509 68.868 -0.059 0.000 1.253 82 T HN 0.292 nan 8.240 nan 0.000 0.511 83 Y N 0.251 120.547 120.300 -0.007 0.000 2.376 83 Y HA 0.478 5.029 4.550 0.002 0.000 0.340 83 Y C -0.079 175.826 175.900 0.008 0.000 0.965 83 Y CA -0.893 57.214 58.100 0.012 0.000 1.078 83 Y CB 1.785 40.239 38.460 -0.010 0.000 1.193 83 Y HN 0.721 nan 8.280 nan 0.000 0.452 84 D N 2.072 122.573 120.400 0.168 0.000 2.347 84 D HA 0.089 4.730 4.640 0.002 0.000 0.235 84 D C 0.679 177.072 176.300 0.155 0.000 1.149 84 D CA 0.143 54.224 54.000 0.136 0.000 0.850 84 D CB 1.287 42.179 40.800 0.154 0.000 1.061 84 D HN 0.801 nan 8.370 nan 0.000 0.487 85 T N 1.081 115.660 114.554 0.042 0.000 3.014 85 T HA -0.049 4.302 4.350 0.002 0.000 0.250 85 T C 1.860 176.579 174.700 0.032 0.000 1.060 85 T CA -0.238 61.849 62.100 -0.021 0.000 1.040 85 T CB 0.101 68.766 68.868 -0.338 0.000 0.971 85 T HN 0.248 nan 8.240 nan 0.000 0.497 86 L N 2.621 123.849 121.223 0.007 0.000 2.083 86 L HA 0.015 4.356 4.340 0.002 0.000 0.209 86 L C 2.685 179.458 176.870 -0.161 0.000 1.083 86 L CA 1.414 56.256 54.840 0.002 0.000 0.752 86 L CB -1.014 41.109 42.059 0.107 0.000 0.899 86 L HN 0.673 nan 8.230 nan 0.000 0.433 87 C N -1.432 117.580 119.300 -0.480 0.000 2.409 87 C HA -0.030 4.431 4.460 0.002 0.000 0.284 87 C C 2.780 177.526 174.990 -0.407 0.000 1.354 87 C CA 0.236 58.620 59.018 -1.058 0.000 1.787 87 C CB -2.286 24.828 27.740 -1.044 0.000 1.900 87 C HN 0.582 nan 8.230 nan 0.000 0.520 88 A N 0.114 122.856 122.820 -0.130 0.000 2.067 88 A HA -0.092 4.229 4.320 0.002 0.000 0.219 88 A C 2.302 179.871 177.584 -0.026 0.000 1.158 88 A CA 1.323 53.344 52.037 -0.028 0.000 0.661 88 A CB -0.501 18.587 19.000 0.146 0.000 0.801 88 A HN 0.741 nan 8.150 nan 0.000 0.452 89 Q N 0.152 119.935 119.800 -0.028 0.000 2.482 89 Q HA 0.042 4.383 4.340 0.002 0.000 0.209 89 Q C 0.620 176.633 176.000 0.023 0.000 0.961 89 Q CA 0.257 56.068 55.803 0.013 0.000 0.945 89 Q CB -0.200 28.559 28.738 0.036 0.000 1.012 89 Q HN 0.507 nan 8.270 nan 0.000 0.515 90 S N 0.854 116.550 115.700 -0.007 0.000 2.531 90 S HA 0.038 4.509 4.470 0.002 0.000 0.279 90 S C 0.817 175.436 174.600 0.031 0.000 1.305 90 S CA -0.057 58.169 58.200 0.044 0.000 1.058 90 S CB 0.551 63.781 63.200 0.051 0.000 0.899 90 S HN 0.131 nan 8.310 nan 0.000 0.493 91 Q N 1.989 121.817 119.800 0.046 0.000 2.189 91 Q HA 0.230 4.571 4.340 0.002 0.000 0.223 91 Q C -0.337 175.683 176.000 0.034 0.000 0.828 91 Q CA 0.003 55.827 55.803 0.035 0.000 0.967 91 Q CB 0.676 29.438 28.738 0.039 0.000 1.139 91 Q HN 0.711 nan 8.270 nan 0.000 0.497 92 Q N 1.292 121.118 119.800 0.042 0.000 2.333 92 Q HA 0.275 4.616 4.340 0.002 0.000 0.267 92 Q C -1.324 174.702 176.000 0.042 0.000 1.012 92 Q CA -0.275 55.550 55.803 0.037 0.000 0.824 92 Q CB 1.259 30.018 28.738 0.035 0.000 1.290 92 Q HN -0.157 nan 8.270 nan 0.000 0.449 93 D N 2.067 122.487 120.400 0.032 0.000 2.341 93 D HA 0.437 5.078 4.640 0.002 0.000 0.245 93 D C 0.137 176.459 176.300 0.037 0.000 1.106 93 D CA 0.243 54.263 54.000 0.033 0.000 0.905 93 D CB 1.347 42.160 40.800 0.023 0.000 1.202 93 D HN 0.687 nan 8.370 nan 0.000 0.426 94 G N 0.793 109.619 108.800 0.043 0.000 2.543 94 G HA2 0.345 4.306 3.960 0.002 0.000 0.267 94 G HA3 0.345 4.306 3.960 0.002 0.000 0.267 94 G C -1.594 173.327 174.900 0.035 0.000 1.406 94 G CA -0.563 44.563 45.100 0.043 0.000 1.048 94 G HN 0.365 nan 8.290 nan 0.000 0.548 95 P HA 0.188 nan 4.420 nan 0.000 0.252 95 P C 0.271 177.588 177.300 0.027 0.000 1.218 95 P CA -0.048 63.071 63.100 0.031 0.000 0.807 95 P CB 0.220 31.941 31.700 0.034 0.000 1.072 96 C N 0.866 120.184 119.300 0.030 0.000 2.500 96 C HA 0.637 5.098 4.460 0.002 0.000 0.367 96 C C 1.018 176.020 174.990 0.020 0.000 1.283 96 C CA 0.170 59.203 59.018 0.026 0.000 2.456 96 C CB 0.829 28.587 27.740 0.030 0.000 2.457 96 C HN 0.383 nan 8.230 nan 0.000 0.632 97 T N -2.228 112.334 114.554 0.014 0.000 2.792 97 T HA 0.400 4.751 4.350 0.002 0.000 0.303 97 T C -2.571 172.133 174.700 0.007 0.000 1.310 97 T CA -0.982 61.123 62.100 0.009 0.000 1.007 97 T CB 1.187 70.059 68.868 0.007 0.000 1.335 97 T HN 0.255 nan 8.240 nan 0.000 0.504 98 P HA 0.021 nan 4.420 nan 0.000 0.219 98 P C 1.509 178.810 177.300 0.001 0.000 1.146 98 P CA 0.623 63.724 63.100 0.001 0.000 0.808 98 P CB 0.146 31.845 31.700 -0.002 0.000 0.779 99 R N -0.189 120.312 120.500 0.001 0.000 2.073 99 R HA -0.050 4.292 4.340 0.002 0.000 0.229 99 R C 0.620 176.921 176.300 0.001 0.000 1.120 99 R CA 0.965 57.065 56.100 0.001 0.000 0.967 99 R CB 0.191 30.492 30.300 0.001 0.000 0.862 99 R HN 0.100 nan 8.270 nan 0.000 0.436 100 R N -0.281 120.221 120.500 0.003 0.000 2.604 100 R HA 0.144 4.485 4.340 0.002 0.000 0.270 100 R C -1.715 174.589 176.300 0.008 0.000 1.052 100 R CA -0.701 55.401 56.100 0.004 0.000 0.902 100 R CB 0.254 30.557 30.300 0.004 0.000 1.233 100 R HN 0.095 nan 8.270 nan 0.000 0.455 101 C N 4.176 123.480 119.300 0.007 0.000 2.307 101 C HA 0.557 5.018 4.460 0.002 0.000 0.340 101 C C 0.724 175.725 174.990 0.019 0.000 1.275 101 C CA -0.681 58.345 59.018 0.013 0.000 1.811 101 C CB -0.819 26.925 27.740 0.006 0.000 2.372 101 C HN 0.784 nan 8.230 nan 0.000 0.531 102 L N 5.918 127.157 121.223 0.027 0.000 3.017 102 L HA 0.287 4.628 4.340 0.002 0.000 0.255 102 L C 2.031 178.931 176.870 0.051 0.000 1.247 102 L CA 0.219 55.079 54.840 0.035 0.000 1.038 102 L CB -0.137 41.940 42.059 0.031 0.000 1.380 102 L HN 1.044 nan 8.230 nan 0.000 0.548 103 G N 0.423 109.255 108.800 0.054 0.000 2.462 103 G HA2 -0.289 3.672 3.960 0.002 0.000 0.220 103 G HA3 -0.289 3.672 3.960 0.002 0.000 0.220 103 G C 1.674 176.641 174.900 0.113 0.000 1.121 103 G CA 1.203 46.348 45.100 0.076 0.000 0.758 103 G HN 0.525 nan 8.290 nan 0.000 0.559 104 S N -0.393 115.370 115.700 0.106 0.000 2.489 104 S HA 0.218 4.689 4.470 0.002 0.000 0.228 104 S C 0.870 175.561 174.600 0.151 0.000 0.995 104 S CA -0.311 57.973 58.200 0.140 0.000 0.934 104 S CB -0.154 63.105 63.200 0.099 0.000 0.771 104 S HN 0.004 nan 8.310 nan 0.000 0.522 105 L N 2.428 123.719 121.223 0.113 0.000 2.499 105 L HA 0.149 4.490 4.340 0.002 0.000 0.273 105 L C 1.424 178.381 176.870 0.146 0.000 1.195 105 L CA 0.262 55.163 54.840 0.101 0.000 0.882 105 L CB 0.479 42.576 42.059 0.063 0.000 1.133 105 L HN 0.004 nan 8.230 nan 0.000 0.483 106 V N 3.670 123.677 119.914 0.155 0.000 2.323 106 V HA -0.071 4.050 4.120 0.002 0.000 0.244 106 V C 0.845 176.975 176.094 0.060 0.000 1.041 106 V CA 1.112 63.538 62.300 0.209 0.000 1.025 106 V CB -0.329 31.616 31.823 0.204 0.000 0.656 106 V HN 0.484 nan 8.190 nan 0.000 0.451 107 L N -0.250 120.954 121.223 -0.032 0.000 2.330 107 L HA 0.493 4.834 4.340 0.002 0.000 0.271 107 L C -2.430 174.435 176.870 -0.008 0.000 1.013 107 L CA -1.823 52.952 54.840 -0.110 0.000 0.816 107 L CB 1.072 43.005 42.059 -0.209 0.000 1.287 107 L HN 0.065 nan 8.230 nan 0.000 0.435 108 P HA 0.271 nan 4.420 nan 0.000 0.276 108 P C -0.235 177.071 177.300 0.010 0.000 1.244 108 P CA -0.619 62.503 63.100 0.036 0.000 0.801 108 P CB 1.004 32.742 31.700 0.063 0.000 1.006 109 R N 1.185 121.692 120.500 0.011 0.000 2.206 109 R HA 0.094 4.435 4.340 0.002 0.000 0.198 109 R C 1.368 177.669 176.300 0.002 0.000 0.986 109 R CA 1.403 57.504 56.100 0.002 0.000 1.029 109 R CB 0.044 30.346 30.300 0.004 0.000 0.966 109 R HN 0.221 nan 8.270 nan 0.000 0.487 110 K N -1.747 118.658 120.400 0.009 0.000 2.585 110 K HA 0.212 4.533 4.320 0.002 0.000 0.210 110 K C 0.165 176.773 176.600 0.013 0.000 1.504 110 K CA 0.190 56.481 56.287 0.008 0.000 1.029 110 K CB 0.203 32.707 32.500 0.007 0.000 1.332 110 K HN 0.041 nan 8.250 nan 0.000 0.569 111 L N 2.743 123.980 121.223 0.023 0.000 2.962 111 L HA 0.111 4.452 4.340 0.002 0.000 0.263 111 L C 0.839 177.731 176.870 0.036 0.000 1.152 111 L CA 0.766 55.623 54.840 0.029 0.000 0.954 111 L CB -1.555 40.527 42.059 0.037 0.000 1.213 111 L HN 0.286 nan 8.230 nan 0.000 0.422 112 Q N -0.229 119.587 119.800 0.027 0.000 2.492 112 Q HA 0.160 4.501 4.340 0.002 0.000 0.184 112 Q C 0.148 176.158 176.000 0.017 0.000 1.126 112 Q CA 0.471 56.290 55.803 0.028 0.000 1.196 112 Q CB 0.555 29.297 28.738 0.007 0.000 1.240 112 Q HN 0.199 nan 8.270 nan 0.000 0.651 113 T N 1.946 116.506 114.554 0.009 0.000 3.390 113 T HA 0.355 4.706 4.350 0.002 0.000 0.351 113 T C -0.640 174.051 174.700 -0.013 0.000 1.759 113 T CA -0.564 61.535 62.100 -0.002 0.000 1.561 113 T CB 0.146 69.016 68.868 0.002 0.000 1.011 113 T HN 0.317 nan 8.240 nan 0.000 0.689 114 R N 2.292 122.783 120.500 -0.014 0.000 2.767 114 R HA 0.040 4.381 4.340 0.002 0.000 0.264 114 R C -2.093 174.194 176.300 -0.021 0.000 0.987 114 R CA -0.845 55.244 56.100 -0.019 0.000 1.114 114 R CB -0.321 29.970 30.300 -0.015 0.000 0.976 114 R HN 0.297 nan 8.270 nan 0.000 0.437 115 P HA -0.105 nan 4.420 nan 0.000 0.271 115 P C -0.086 177.203 177.300 -0.018 0.000 1.212 115 P CA 0.535 63.623 63.100 -0.020 0.000 0.788 115 P CB 0.427 32.117 31.700 -0.017 0.000 0.865 116 S N 0.851 116.541 115.700 -0.017 0.000 2.558 116 S HA 0.271 4.742 4.470 0.002 0.000 0.238 116 S C -1.582 173.011 174.600 -0.012 0.000 1.183 116 S CA -1.121 57.068 58.200 -0.019 0.000 1.185 116 S CB -0.317 62.866 63.200 -0.029 0.000 1.003 116 S HN 0.302 nan 8.310 nan 0.000 0.478 117 P HA 0.220 nan 4.420 nan 0.000 0.231 117 P C 0.799 178.098 177.300 -0.001 0.000 1.168 117 P CA 0.470 63.569 63.100 -0.003 0.000 0.779 117 P CB 0.047 31.747 31.700 -0.001 0.000 0.844 118 G N 1.007 109.805 108.800 -0.004 0.000 2.537 118 G HA2 0.547 4.509 3.960 0.002 0.000 0.308 118 G HA3 0.547 4.509 3.960 0.002 0.000 0.308 118 G C -2.973 171.924 174.900 -0.005 0.000 1.237 118 G CA -1.703 43.396 45.100 -0.002 0.000 0.968 118 G HN -0.141 nan 8.290 nan 0.000 0.481 119 P HA 0.243 nan 4.420 nan 0.000 0.276 119 P C -2.429 174.870 177.300 -0.002 0.000 1.235 119 P CA -0.970 62.129 63.100 -0.002 0.000 0.772 119 P CB 0.982 32.686 31.700 0.006 0.000 0.871 120 P HA 0.208 nan 4.420 nan 0.000 0.271 120 P C -2.451 174.854 177.300 0.007 0.000 1.220 120 P CA -1.473 61.625 63.100 -0.003 0.000 0.768 120 P CB -0.889 30.805 31.700 -0.010 0.000 0.848 121 P HA -0.126 nan 4.420 nan 0.000 0.252 121 P C 1.112 178.421 177.300 0.015 0.000 1.147 121 P CA 0.599 63.705 63.100 0.010 0.000 0.779 121 P CB -0.082 31.622 31.700 0.008 0.000 0.733 122 A N 5.108 127.938 122.820 0.016 0.000 1.927 122 A HA -0.282 4.039 4.320 0.002 0.000 0.220 122 A C 2.029 179.623 177.584 0.015 0.000 1.185 122 A CA 1.604 53.653 52.037 0.019 0.000 0.639 122 A CB -0.619 18.391 19.000 0.017 0.000 0.820 122 A HN 0.528 nan 8.150 nan 0.000 0.451 123 E N -1.001 119.206 120.200 0.012 0.000 2.038 123 E HA -0.263 4.088 4.350 0.002 0.000 0.195 123 E C 2.255 178.863 176.600 0.013 0.000 1.000 123 E CA 1.678 58.084 56.400 0.010 0.000 0.803 123 E CB -0.284 29.421 29.700 0.008 0.000 0.750 123 E HN 0.737 nan 8.360 nan 0.000 0.448 124 Q N 1.198 121.007 119.800 0.016 0.000 1.993 124 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 124 Q C 2.204 178.222 176.000 0.029 0.000 0.984 124 Q CA 1.167 56.982 55.803 0.020 0.000 0.837 124 Q CB -0.627 28.120 28.738 0.017 0.000 0.902 124 Q HN 0.239 nan 8.270 nan 0.000 0.423 125 L N -0.071 121.172 121.223 0.034 0.000 2.043 125 L HA -0.141 4.200 4.340 0.002 0.000 0.212 125 L C 2.114 179.016 176.870 0.053 0.000 1.075 125 L CA 1.782 56.656 54.840 0.057 0.000 0.752 125 L CB -1.030 41.071 42.059 0.069 0.000 0.891 125 L HN 0.454 nan 8.230 nan 0.000 0.432 126 L N -0.502 120.734 121.223 0.022 0.000 2.042 126 L HA -0.194 4.147 4.340 0.002 0.000 0.210 126 L C 2.803 179.672 176.870 -0.001 0.000 1.076 126 L CA 2.154 56.987 54.840 -0.013 0.000 0.749 126 L CB -0.927 41.124 42.059 -0.014 0.000 0.893 126 L HN 0.654 nan 8.230 nan 0.000 0.432 127 S N -1.655 114.057 115.700 0.020 0.000 2.368 127 S HA -0.251 4.220 4.470 0.002 0.000 0.224 127 S C 1.895 176.531 174.600 0.059 0.000 1.029 127 S CA 1.185 59.404 58.200 0.032 0.000 0.988 127 S CB -0.693 62.525 63.200 0.030 0.000 0.838 127 S HN 0.635 nan 8.310 nan 0.000 0.462 128 Q N 1.149 120.992 119.800 0.070 0.000 2.124 128 Q HA 0.055 4.396 4.340 0.002 0.000 0.202 128 Q C 2.602 178.699 176.000 0.161 0.000 0.977 128 Q CA 1.376 57.243 55.803 0.107 0.000 0.850 128 Q CB -0.524 28.268 28.738 0.090 0.000 0.901 128 Q HN 0.784 nan 8.270 nan 0.000 0.429 129 A N 1.230 124.121 122.820 0.119 0.000 1.873 129 A HA -0.178 4.143 4.320 0.002 0.000 0.215 129 A C 1.996 179.649 177.584 0.115 0.000 1.186 129 A CA 1.184 53.279 52.037 0.096 0.000 0.616 129 A CB -0.354 18.479 19.000 -0.277 0.000 0.823 129 A HN 0.192 nan 8.150 nan 0.000 0.442 130 R N -0.533 119.999 120.500 0.053 0.000 2.083 130 R HA -0.182 4.159 4.340 0.002 0.000 0.237 130 R C 2.054 178.431 176.300 0.128 0.000 1.137 130 R CA 1.748 57.890 56.100 0.070 0.000 0.951 130 R CB -0.517 29.803 30.300 0.035 0.000 0.851 130 R HN 0.708 nan 8.270 nan 0.000 0.434 131 D N -0.004 120.478 120.400 0.137 0.000 2.123 131 D HA -0.211 4.430 4.640 0.002 0.000 0.196 131 D C 1.643 178.062 176.300 0.199 0.000 0.992 131 D CA 1.033 55.122 54.000 0.149 0.000 0.833 131 D CB -0.055 40.829 40.800 0.139 0.000 0.954 131 D HN 0.154 nan 8.370 nan 0.000 0.455 132 F N 0.811 120.845 119.950 0.140 0.000 2.113 132 F HA -0.068 4.460 4.527 0.002 0.000 0.297 132 F C 1.964 177.897 175.800 0.221 0.000 1.103 132 F CA 1.048 59.165 58.000 0.195 0.000 1.248 132 F CB -0.259 38.863 39.000 0.205 0.000 0.999 132 F HN -0.033 nan 8.300 nan 0.000 0.475 133 I N 1.065 121.680 120.570 0.075 0.000 2.208 133 I HA -0.324 3.847 4.170 0.002 0.000 0.245 133 I C 2.034 178.170 176.117 0.032 0.000 1.097 133 I CA 1.258 62.587 61.300 0.048 0.000 1.363 133 I CB -1.670 36.462 38.000 0.218 0.000 1.051 133 I HN 0.267 nan 8.210 nan 0.000 0.413 134 N N 0.936 119.683 118.700 0.078 0.000 2.120 134 N HA -0.199 4.542 4.740 0.002 0.000 0.188 134 N C 1.861 177.317 175.510 -0.091 0.000 1.024 134 N CA 1.184 54.267 53.050 0.054 0.000 0.852 134 N CB -0.321 38.244 38.487 0.131 0.000 1.003 134 N HN 0.518 nan 8.380 nan 0.000 0.424 135 Q N -0.460 119.289 119.800 -0.084 0.000 2.061 135 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 135 Q C 1.865 177.624 176.000 -0.403 0.000 0.984 135 Q CA 1.352 57.101 55.803 -0.091 0.000 0.846 135 Q CB -0.293 28.515 28.738 0.117 0.000 0.902 135 Q HN 0.446 nan 8.270 nan 0.000 0.421 136 Y N 0.093 119.916 120.300 -0.795 0.000 2.097 136 Y HA -0.313 4.238 4.550 0.002 0.000 0.282 136 Y C 1.730 177.086 175.900 -0.907 0.000 1.152 136 Y CA 1.721 59.089 58.100 -1.221 0.000 1.136 136 Y CB -0.518 37.322 38.460 -1.034 0.000 0.975 136 Y HN 0.108 nan 8.280 nan 0.000 0.498 137 Y N -0.422 119.432 120.300 -0.744 0.000 2.352 137 Y HA -0.174 4.377 4.550 0.002 0.000 0.292 137 Y C 2.727 178.290 175.900 -0.562 0.000 1.136 137 Y CA 1.549 59.206 58.100 -0.738 0.000 1.227 137 Y CB -0.418 37.523 38.460 -0.865 0.000 0.991 137 Y HN 0.100 nan 8.280 nan 0.000 0.545 138 S N -0.791 114.695 115.700 -0.356 0.000 2.387 138 S HA -0.195 4.276 4.470 0.002 0.000 0.226 138 S C 2.284 176.725 174.600 -0.266 0.000 1.026 138 S CA 1.233 59.300 58.200 -0.222 0.000 0.972 138 S CB -0.525 62.596 63.200 -0.130 0.000 0.814 138 S HN 0.635 nan 8.310 nan 0.000 0.477 139 S N 2.613 118.057 115.700 -0.427 0.000 2.399 139 S HA -0.072 4.399 4.470 0.002 0.000 0.231 139 S C 1.567 175.948 174.600 -0.364 0.000 1.022 139 S CA 1.131 59.111 58.200 -0.367 0.000 0.983 139 S CB -0.788 62.067 63.200 -0.575 0.000 0.803 139 S HN 0.704 nan 8.310 nan 0.000 0.480 140 I N -2.290 117.961 120.570 -0.532 0.000 3.855 140 I HA 0.441 4.612 4.170 0.002 0.000 0.327 140 I C 0.139 176.109 176.117 -0.245 0.000 1.359 140 I CA -0.597 60.461 61.300 -0.403 0.000 1.142 140 I CB -0.635 37.032 38.000 -0.555 0.000 1.041 140 I HN 0.027 nan 8.210 nan 0.000 0.403 141 K N 1.608 121.890 120.400 -0.197 0.000 3.016 141 K HA -0.178 4.143 4.320 0.002 0.000 0.262 141 K C 0.312 176.868 176.600 -0.072 0.000 1.043 141 K CA 0.778 56.999 56.287 -0.111 0.000 0.761 141 K CB -1.251 31.201 32.500 -0.080 0.000 1.230 141 K HN 0.587 nan 8.250 nan 0.000 0.485 142 R N 0.182 120.641 120.500 -0.068 0.000 2.662 142 R HA 0.095 4.436 4.340 0.002 0.000 0.396 142 R C 0.025 176.385 176.300 0.101 0.000 1.096 142 R CA -0.196 55.927 56.100 0.039 0.000 1.081 142 R CB 1.178 31.540 30.300 0.104 0.000 1.382 142 R HN 0.104 nan 8.270 nan 0.000 0.580 143 S N -0.184 115.543 115.700 0.046 0.000 2.558 143 S HA 0.184 4.655 4.470 0.002 0.000 0.288 143 S C 1.441 176.159 174.600 0.198 0.000 1.318 143 S CA 1.340 59.617 58.200 0.129 0.000 1.056 143 S CB 0.595 63.832 63.200 0.062 0.000 0.853 143 S HN 0.711 nan 8.310 nan 0.000 0.505 144 G N 2.935 111.955 108.800 0.365 0.000 2.196 144 G HA2 -0.316 3.645 3.960 0.002 0.000 0.268 144 G HA3 -0.316 3.645 3.960 0.002 0.000 0.268 144 G C 0.380 175.274 174.900 -0.009 0.000 0.975 144 G CA 0.828 45.950 45.100 0.037 0.000 0.648 144 G HN 1.583 nan 8.290 nan 0.000 0.538 145 S N -1.033 114.689 115.700 0.036 0.000 2.633 145 S HA 0.463 4.934 4.470 0.002 0.000 0.257 145 S C 1.376 175.951 174.600 -0.042 0.000 1.265 145 S CA 0.853 59.056 58.200 0.006 0.000 0.980 145 S CB 1.027 64.254 63.200 0.045 0.000 1.017 145 S HN 0.515 nan 8.310 nan 0.000 0.577 146 Q N 0.621 120.405 119.800 -0.026 0.000 2.046 146 Q HA 0.062 4.403 4.340 0.002 0.000 0.200 146 Q C 2.251 178.220 176.000 -0.053 0.000 0.975 146 Q CA 2.194 57.974 55.803 -0.038 0.000 0.836 146 Q CB -1.238 27.492 28.738 -0.013 0.000 0.896 146 Q HN 0.879 nan 8.270 nan 0.000 0.428 147 A N -0.144 122.666 122.820 -0.016 0.000 1.908 147 A HA -0.277 4.044 4.320 0.002 0.000 0.218 147 A C 2.109 179.554 177.584 -0.231 0.000 1.181 147 A CA 1.904 53.943 52.037 0.004 0.000 0.627 147 A CB -1.241 17.871 19.000 0.188 0.000 0.818 147 A HN 0.757 nan 8.150 nan 0.000 0.445 148 H N -0.763 117.881 119.070 -0.710 0.000 2.319 148 H HA -0.148 4.409 4.556 0.002 0.000 0.299 148 H C 2.025 177.033 175.328 -0.534 0.000 1.092 148 H CA 1.343 56.657 56.048 -1.225 0.000 1.302 148 H CB 0.119 29.357 29.762 -0.873 0.000 1.373 148 H HN 0.430 nan 8.280 nan 0.000 0.497 149 E N 0.764 120.779 120.200 -0.309 0.000 2.051 149 E HA -0.166 4.185 4.350 0.002 0.000 0.192 149 E C 2.105 178.615 176.600 -0.149 0.000 0.991 149 E CA 1.198 57.441 56.400 -0.262 0.000 0.799 149 E CB -0.235 29.351 29.700 -0.190 0.000 0.748 149 E HN 0.714 nan 8.360 nan 0.000 0.449 150 E N 0.381 120.520 120.200 -0.101 0.000 2.208 150 E HA -0.151 4.200 4.350 0.002 0.000 0.193 150 E C 2.130 178.722 176.600 -0.012 0.000 0.988 150 E CA 0.520 56.894 56.400 -0.043 0.000 0.828 150 E CB -0.022 29.669 29.700 -0.015 0.000 0.763 150 E HN -0.069 nan 8.360 nan 0.000 0.478 151 R N 1.475 121.969 120.500 -0.010 0.000 2.073 151 R HA -0.043 4.298 4.340 0.002 0.000 0.229 151 R C 2.046 178.375 176.300 0.048 0.000 1.120 151 R CA 1.037 57.181 56.100 0.072 0.000 0.967 151 R CB -0.598 29.817 30.300 0.192 0.000 0.862 151 R HN 0.150 nan 8.270 nan 0.000 0.436 152 L N 0.402 121.626 121.223 0.003 0.000 2.046 152 L HA -0.216 4.125 4.340 0.002 0.000 0.208 152 L C 2.531 179.380 176.870 -0.034 0.000 1.077 152 L CA 1.758 56.587 54.840 -0.018 0.000 0.747 152 L CB -0.509 41.511 42.059 -0.066 0.000 0.896 152 L HN 0.321 nan 8.230 nan 0.000 0.432 153 Q N -0.256 119.522 119.800 -0.036 0.000 2.124 153 Q HA -0.239 4.102 4.340 0.002 0.000 0.202 153 Q C 2.087 178.082 176.000 -0.007 0.000 0.977 153 Q CA 1.527 57.314 55.803 -0.027 0.000 0.850 153 Q CB -0.157 28.566 28.738 -0.026 0.000 0.901 153 Q HN 0.569 nan 8.270 nan 0.000 0.429 154 E N 0.121 120.328 120.200 0.011 0.000 2.051 154 E HA -0.168 4.183 4.350 0.002 0.000 0.192 154 E C 2.163 178.781 176.600 0.030 0.000 0.991 154 E CA 1.421 57.843 56.400 0.036 0.000 0.799 154 E CB -0.008 29.731 29.700 0.065 0.000 0.748 154 E HN 0.129 nan 8.360 nan 0.000 0.449 155 V N 1.969 121.877 119.914 -0.010 0.000 2.295 155 V HA -0.257 3.864 4.120 0.002 0.000 0.246 155 V C 2.242 178.276 176.094 -0.100 0.000 1.049 155 V CA 1.762 63.993 62.300 -0.115 0.000 1.024 155 V CB -0.524 31.138 31.823 -0.268 0.000 0.648 155 V HN 0.228 nan 8.190 nan 0.000 0.447 156 E N 0.553 120.711 120.200 -0.070 0.000 2.049 156 E HA -0.269 4.082 4.350 0.002 0.000 0.198 156 E C 2.413 179.006 176.600 -0.012 0.000 1.007 156 E CA 1.685 58.058 56.400 -0.045 0.000 0.809 156 E CB -0.594 29.085 29.700 -0.035 0.000 0.749 156 E HN 0.571 nan 8.360 nan 0.000 0.450 157 A N 1.354 124.175 122.820 0.002 0.000 1.917 157 A HA -0.271 4.051 4.320 0.002 0.000 0.219 157 A C 2.106 179.714 177.584 0.041 0.000 1.182 157 A CA 2.001 54.050 52.037 0.020 0.000 0.633 157 A CB -0.562 18.452 19.000 0.024 0.000 0.819 157 A HN 0.292 nan 8.150 nan 0.000 0.448 158 E N -0.638 119.599 120.200 0.062 0.000 2.107 158 E HA -0.081 4.270 4.350 0.002 0.000 0.191 158 E C 1.935 178.597 176.600 0.104 0.000 0.982 158 E CA 1.065 57.529 56.400 0.106 0.000 0.809 158 E CB -0.047 29.760 29.700 0.179 0.000 0.756 158 E HN 0.363 nan 8.360 nan 0.000 0.459 159 V N 1.110 121.071 119.914 0.079 0.000 2.307 159 V HA -0.255 3.866 4.120 0.002 0.000 0.245 159 V C 2.395 178.518 176.094 0.048 0.000 1.045 159 V CA 1.791 64.134 62.300 0.072 0.000 1.024 159 V CB -0.745 31.097 31.823 0.032 0.000 0.651 159 V HN 0.384 nan 8.190 nan 0.000 0.449 160 A N -0.392 122.447 122.820 0.031 0.000 1.940 160 A HA -0.210 4.111 4.320 0.002 0.000 0.219 160 A C 2.432 180.034 177.584 0.030 0.000 1.176 160 A CA 2.477 54.529 52.037 0.024 0.000 0.631 160 A CB -0.510 18.500 19.000 0.015 0.000 0.814 160 A HN 0.536 nan 8.150 nan 0.000 0.446 161 S N -1.528 114.195 115.700 0.039 0.000 2.441 161 S HA -0.026 4.445 4.470 0.002 0.000 0.224 161 S C 1.921 176.549 174.600 0.046 0.000 1.043 161 S CA 1.401 59.625 58.200 0.039 0.000 0.948 161 S CB -0.016 63.209 63.200 0.041 0.000 0.810 161 S HN 0.883 nan 8.310 nan 0.000 0.504 162 T N -2.400 112.191 114.554 0.061 0.000 2.975 162 T HA 0.449 4.800 4.350 0.002 0.000 0.257 162 T C 1.396 176.131 174.700 0.059 0.000 1.003 162 T CA 0.827 62.967 62.100 0.066 0.000 0.932 162 T CB 0.471 69.396 68.868 0.095 0.000 1.087 162 T HN 0.519 nan 8.240 nan 0.000 0.512 163 G N 0.271 109.106 108.800 0.058 0.000 2.143 163 G HA2 -0.153 3.808 3.960 0.002 0.000 0.249 163 G HA3 -0.153 3.808 3.960 0.002 0.000 0.249 163 G C 0.155 175.087 174.900 0.054 0.000 0.981 163 G CA 0.564 45.693 45.100 0.047 0.000 0.665 163 G HN 1.071 nan 8.290 nan 0.000 0.528 164 T N -1.695 112.909 114.554 0.083 0.000 2.658 164 T HA 0.682 5.033 4.350 0.002 0.000 0.305 164 T C -1.132 173.679 174.700 0.185 0.000 1.551 164 T CA 0.446 62.593 62.100 0.080 0.000 0.985 164 T CB 1.223 70.056 68.868 -0.058 0.000 1.731 164 T HN 1.608 nan 8.240 nan 0.000 0.486 165 Y N -0.826 119.391 120.300 -0.139 0.000 2.853 165 Y HA 0.848 5.399 4.550 0.002 0.000 0.326 165 Y C -1.670 174.038 175.900 -0.321 0.000 1.384 165 Y CA -1.191 56.879 58.100 -0.050 0.000 1.077 165 Y CB 0.871 39.347 38.460 0.027 0.000 1.395 165 Y HN 0.785 nan 8.280 nan 0.000 0.451 166 H N 0.374 119.453 119.070 0.015 0.000 2.851 166 H HA 0.629 5.186 4.556 0.002 0.000 0.372 166 H C -1.155 174.207 175.328 0.057 0.000 1.158 166 H CA -0.810 55.184 56.048 -0.090 0.000 1.159 166 H CB 2.020 31.782 29.762 0.001 0.000 1.757 166 H HN 0.718 nan 8.280 nan 0.000 0.546 167 L N 1.950 123.230 121.223 0.095 0.000 2.399 167 L HA 0.492 4.833 4.340 0.002 0.000 0.266 167 L C 0.532 177.472 176.870 0.116 0.000 1.114 167 L CA -0.656 54.272 54.840 0.146 0.000 0.804 167 L CB 0.750 42.859 42.059 0.084 0.000 1.146 167 L HN 0.413 nan 8.230 nan 0.000 0.451 168 R N 0.616 121.164 120.500 0.079 0.000 2.500 168 R HA 0.081 4.422 4.340 0.002 0.000 0.275 168 R C 0.889 177.183 176.300 -0.010 0.000 1.051 168 R CA -0.469 55.649 56.100 0.030 0.000 1.088 168 R CB 1.234 31.535 30.300 0.002 0.000 1.063 168 R HN 0.642 nan 8.270 nan 0.000 0.511 169 E N 1.292 121.487 120.200 -0.009 0.000 2.114 169 E HA -0.279 4.072 4.350 0.002 0.000 0.199 169 E C 1.475 178.060 176.600 -0.026 0.000 1.008 169 E CA 2.399 58.784 56.400 -0.024 0.000 0.810 169 E CB 0.100 29.791 29.700 -0.015 0.000 0.739 169 E HN 0.685 nan 8.360 nan 0.000 0.456 170 S N 0.179 115.862 115.700 -0.029 0.000 2.368 170 S HA -0.228 4.243 4.470 0.002 0.000 0.225 170 S C 1.813 176.390 174.600 -0.039 0.000 1.030 170 S CA 1.425 59.623 58.200 -0.002 0.000 0.999 170 S CB -0.441 62.776 63.200 0.028 0.000 0.844 170 S HN 0.395 nan 8.310 nan 0.000 0.459 171 E N 1.081 121.135 120.200 -0.244 0.000 2.106 171 E HA -0.047 4.304 4.350 0.002 0.000 0.192 171 E C 2.064 178.792 176.600 0.213 0.000 0.984 171 E CA 1.028 57.302 56.400 -0.210 0.000 0.806 171 E CB -0.367 29.222 29.700 -0.185 0.000 0.750 171 E HN 0.431 nan 8.360 nan 0.000 0.458 172 L N 0.937 122.194 121.223 0.058 0.000 2.012 172 L HA -0.174 4.167 4.340 0.002 0.000 0.210 172 L C 2.242 179.110 176.870 -0.004 0.000 1.073 172 L CA 1.427 56.245 54.840 -0.037 0.000 0.748 172 L CB -0.369 41.604 42.059 -0.143 0.000 0.891 172 L HN -0.050 nan 8.230 nan 0.000 0.431 173 V N -0.415 119.519 119.914 0.034 0.000 2.287 173 V HA -0.330 3.791 4.120 0.002 0.000 0.248 173 V C 2.346 178.532 176.094 0.153 0.000 1.053 173 V CA 2.245 64.576 62.300 0.052 0.000 1.027 173 V CB -0.919 30.935 31.823 0.052 0.000 0.646 173 V HN 0.602 nan 8.190 nan 0.000 0.447 174 F N 1.910 121.942 119.950 0.136 0.000 2.171 174 F HA -0.008 4.520 4.527 0.002 0.000 0.300 174 F C 2.121 178.069 175.800 0.246 0.000 1.090 174 F CA 1.607 59.738 58.000 0.218 0.000 1.293 174 F CB -0.805 38.386 39.000 0.319 0.000 1.013 174 F HN 0.119 nan 8.300 nan 0.000 0.486 175 G N -0.140 108.781 108.800 0.203 0.000 2.402 175 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 175 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 175 G C 1.821 176.629 174.900 -0.153 0.000 1.162 175 G CA 0.745 45.869 45.100 0.040 0.000 0.777 175 G HN 0.609 nan 8.290 nan 0.000 0.539 176 A N 0.895 123.645 122.820 -0.116 0.000 1.902 176 A HA 0.018 4.339 4.320 0.002 0.000 0.217 176 A C 2.302 179.901 177.584 0.026 0.000 1.181 176 A CA 1.909 53.883 52.037 -0.104 0.000 0.623 176 A CB -0.320 18.642 19.000 -0.062 0.000 0.818 176 A HN 0.377 nan 8.150 nan 0.000 0.443 177 K N -0.691 119.754 120.400 0.075 0.000 2.097 177 K HA -0.108 4.213 4.320 0.002 0.000 0.205 177 K C 2.229 178.919 176.600 0.150 0.000 1.050 177 K CA 1.222 57.658 56.287 0.249 0.000 0.938 177 K CB -0.098 32.572 32.500 0.282 0.000 0.718 177 K HN 0.385 nan 8.250 nan 0.000 0.442 178 Q N 0.195 119.902 119.800 -0.156 0.000 2.119 178 Q HA -0.042 4.299 4.340 0.002 0.000 0.201 178 Q C 2.204 178.084 176.000 -0.201 0.000 0.972 178 Q CA 1.369 56.988 55.803 -0.306 0.000 0.847 178 Q CB -0.224 28.227 28.738 -0.479 0.000 0.903 178 Q HN 0.315 nan 8.270 nan 0.000 0.433 179 A N 0.280 122.987 122.820 -0.190 0.000 1.933 179 A HA -0.184 4.137 4.320 0.002 0.000 0.218 179 A C 1.814 179.435 177.584 0.062 0.000 1.175 179 A CA 1.381 53.257 52.037 -0.269 0.000 0.628 179 A CB -0.896 17.617 19.000 -0.811 0.000 0.814 179 A HN 0.525 nan 8.150 nan 0.000 0.444 180 W N 0.936 122.253 121.300 0.028 0.000 2.379 180 W HA -0.108 4.553 4.660 0.002 0.000 0.307 180 W C 2.337 178.820 176.519 -0.060 0.000 1.200 180 W CA 1.467 58.859 57.345 0.078 0.000 1.297 180 W CB -0.733 28.764 29.460 0.062 0.000 1.140 180 W HN 0.367 nan 8.180 nan 0.000 0.507 181 R N 0.397 120.841 120.500 -0.094 0.000 2.117 181 R HA -0.203 4.138 4.340 0.002 0.000 0.243 181 R C 1.604 177.741 176.300 -0.271 0.000 1.143 181 R CA 1.964 57.774 56.100 -0.483 0.000 0.968 181 R CB -0.596 29.110 30.300 -0.989 0.000 0.863 181 R HN 0.126 nan 8.270 nan 0.000 0.444 182 N N 0.365 118.965 118.700 -0.166 0.000 2.463 182 N HA 0.005 4.746 4.740 0.002 0.000 0.181 182 N C -0.196 175.273 175.510 -0.068 0.000 1.078 182 N CA 0.707 53.684 53.050 -0.121 0.000 0.902 182 N CB 0.225 38.646 38.487 -0.110 0.000 0.970 182 N HN 0.180 nan 8.380 nan 0.000 0.451 183 A N 2.292 125.118 122.820 0.010 0.000 2.496 183 A HA 0.190 4.511 4.320 0.002 0.000 0.278 183 A C -1.206 176.356 177.584 -0.037 0.000 1.137 183 A CA -0.862 51.179 52.037 0.007 0.000 0.805 183 A CB 0.233 19.280 19.000 0.078 0.000 1.077 183 A HN 0.020 nan 8.150 nan 0.000 0.513 184 P HA -0.132 nan 4.420 nan 0.000 0.218 184 P C 1.104 178.345 177.300 -0.099 0.000 1.148 184 P CA 1.204 64.241 63.100 -0.106 0.000 0.822 184 P CB 0.143 31.748 31.700 -0.159 0.000 0.784 185 R N -2.163 118.238 120.500 -0.164 0.000 2.310 185 R HA 0.132 4.473 4.340 0.002 0.000 0.202 185 R C 0.321 176.617 176.300 -0.008 0.000 0.933 185 R CA -0.112 55.910 56.100 -0.130 0.000 1.054 185 R CB -0.513 29.498 30.300 -0.482 0.000 0.985 185 R HN 0.180 nan 8.270 nan 0.000 0.489 186 C N 0.576 119.861 119.300 -0.026 0.000 2.303 186 C HA 0.203 4.664 4.460 0.002 0.000 0.341 186 C C 1.925 176.869 174.990 -0.078 0.000 1.244 186 C CA -0.666 58.362 59.018 0.016 0.000 1.765 186 C CB 0.484 28.298 27.740 0.123 0.000 2.379 186 C HN 0.293 nan 8.230 nan 0.000 0.530 187 V N 5.940 125.771 119.914 -0.139 0.000 3.306 187 V HA 0.195 4.316 4.120 0.002 0.000 0.264 187 V C 1.739 177.846 176.094 0.023 0.000 1.149 187 V CA 2.125 64.251 62.300 -0.289 0.000 1.143 187 V CB -0.112 31.571 31.823 -0.233 0.000 0.767 187 V HN 1.063 nan 8.190 nan 0.000 0.476 188 G N -0.735 108.112 108.800 0.078 0.000 3.523 188 G HA2 0.095 4.056 3.960 0.002 0.000 0.270 188 G HA3 0.095 4.056 3.960 0.002 0.000 0.270 188 G C 1.134 176.058 174.900 0.040 0.000 1.134 188 G CA -0.380 44.781 45.100 0.102 0.000 0.825 188 G HN 0.408 nan 8.290 nan 0.000 0.534 189 R N -0.163 120.280 120.500 -0.095 0.000 2.341 189 R HA 0.099 4.440 4.340 0.002 0.000 0.213 189 R C 1.985 177.877 176.300 -0.680 0.000 1.082 189 R CA 0.197 55.955 56.100 -0.570 0.000 1.017 189 R CB -0.132 29.793 30.300 -0.625 0.000 0.860 189 R HN 0.458 nan 8.270 nan 0.000 0.473 190 I N 0.925 121.266 120.570 -0.381 0.000 2.567 190 I HA -0.254 3.917 4.170 0.002 0.000 0.257 190 I C 1.297 177.340 176.117 -0.123 0.000 1.184 190 I CA 1.297 62.537 61.300 -0.099 0.000 1.451 190 I CB 0.149 38.182 38.000 0.056 0.000 1.089 190 I HN 0.229 nan 8.210 nan 0.000 0.441 191 Q N 0.476 120.134 119.800 -0.237 0.000 2.403 191 Q HA -0.106 4.235 4.340 0.002 0.000 0.203 191 Q C 1.652 177.251 176.000 -0.668 0.000 0.932 191 Q CA 0.393 56.046 55.803 -0.250 0.000 0.945 191 Q CB -0.197 28.549 28.738 0.014 0.000 1.045 191 Q HN 0.785 nan 8.270 nan 0.000 0.511 192 W N 0.336 120.913 121.300 -1.206 0.000 2.296 192 W HA -0.177 4.484 4.660 0.002 0.000 0.296 192 W C 1.100 177.319 176.519 -0.500 0.000 1.220 192 W CA 1.272 57.772 57.345 -1.408 0.000 1.223 192 W CB -1.238 27.619 29.460 -1.005 0.000 1.139 192 W HN 0.073 nan 8.180 nan 0.000 0.534 193 G N 1.020 109.209 108.800 -1.018 0.000 2.712 193 G HA2 -0.141 3.820 3.960 0.002 0.000 0.212 193 G HA3 -0.141 3.820 3.960 0.002 0.000 0.212 193 G C 0.739 175.453 174.900 -0.309 0.000 1.142 193 G CA -0.058 44.533 45.100 -0.848 0.000 0.789 193 G HN 0.243 nan 8.290 nan 0.000 0.535 194 K N 0.298 120.609 120.400 -0.149 0.000 2.357 194 K HA 0.538 4.859 4.320 0.002 0.000 0.251 194 K C -1.679 175.044 176.600 0.206 0.000 1.069 194 K CA -0.663 55.642 56.287 0.030 0.000 0.994 194 K CB 0.394 32.932 32.500 0.063 0.000 1.411 194 K HN 0.066 nan 8.250 nan 0.000 0.450 195 L N 3.210 124.526 121.223 0.156 0.000 2.476 195 L HA 0.305 4.646 4.340 0.002 0.000 0.269 195 L C -1.356 175.499 176.870 -0.025 0.000 0.965 195 L CA -0.406 54.525 54.840 0.152 0.000 0.845 195 L CB 1.954 44.175 42.059 0.271 0.000 1.259 195 L HN 0.475 nan 8.230 nan 0.000 0.403 196 Q N 3.356 123.077 119.800 -0.130 0.000 2.307 196 Q HA 0.477 4.818 4.340 0.002 0.000 0.259 196 Q C -1.529 174.108 176.000 -0.605 0.000 0.998 196 Q CA -0.027 55.522 55.803 -0.424 0.000 0.923 196 Q CB 1.143 29.499 28.738 -0.636 0.000 1.196 196 Q HN 0.518 nan 8.270 nan 0.000 0.416 197 V N 6.567 126.163 119.914 -0.530 0.000 2.333 197 V HA 0.356 4.477 4.120 0.002 0.000 0.274 197 V C -0.670 175.124 176.094 -0.500 0.000 1.028 197 V CA -0.504 61.544 62.300 -0.420 0.000 0.851 197 V CB 0.055 31.752 31.823 -0.211 0.000 1.000 197 V HN 0.629 nan 8.190 nan 0.000 0.456 198 F N 2.764 122.593 119.950 -0.201 0.000 2.405 198 F HA 0.362 4.890 4.527 0.002 0.000 0.355 198 F C 0.568 176.234 175.800 -0.224 0.000 1.121 198 F CA -1.080 56.807 58.000 -0.189 0.000 1.112 198 F CB 0.930 39.828 39.000 -0.169 0.000 1.126 198 F HN 0.412 nan 8.300 nan 0.000 0.481 199 D N 3.170 123.571 120.400 0.002 0.000 2.365 199 D HA 0.379 5.020 4.640 0.002 0.000 0.237 199 D C 0.117 176.303 176.300 -0.189 0.000 1.190 199 D CA 0.059 53.988 54.000 -0.119 0.000 0.867 199 D CB 1.076 41.836 40.800 -0.067 0.000 1.050 199 D HN 0.609 nan 8.370 nan 0.000 0.491 200 A N 4.561 127.091 122.820 -0.483 0.000 2.637 200 A HA 0.163 4.484 4.320 0.002 0.000 0.293 200 A C 1.583 178.834 177.584 -0.556 0.000 1.216 200 A CA -0.393 51.084 52.037 -0.934 0.000 0.956 200 A CB 0.036 17.965 19.000 -1.784 0.000 1.174 200 A HN 0.547 nan 8.150 nan 0.000 0.525 201 R N 0.945 121.271 120.500 -0.290 0.000 2.280 201 R HA -0.057 4.284 4.340 0.002 0.000 0.207 201 R C 0.006 176.246 176.300 -0.100 0.000 1.043 201 R CA 1.103 57.108 56.100 -0.160 0.000 1.006 201 R CB 0.025 30.292 30.300 -0.056 0.000 0.885 201 R HN 0.630 nan 8.270 nan 0.000 0.467 202 D N -0.199 120.164 120.400 -0.061 0.000 3.072 202 D HA -0.000 4.641 4.640 0.002 0.000 0.250 202 D C -0.595 175.757 176.300 0.087 0.000 1.304 202 D CA -0.309 53.709 54.000 0.031 0.000 0.861 202 D CB -0.359 40.484 40.800 0.072 0.000 1.062 202 D HN -0.037 nan 8.370 nan 0.000 0.481 203 C N 1.037 120.350 119.300 0.022 0.000 2.351 203 C HA 0.595 5.056 4.460 0.002 0.000 0.326 203 C C 1.175 176.280 174.990 0.193 0.000 1.272 203 C CA -0.172 58.921 59.018 0.126 0.000 1.650 203 C CB 0.745 28.531 27.740 0.077 0.000 2.257 203 C HN 0.495 nan 8.230 nan 0.000 0.505 204 S N 2.103 117.971 115.700 0.279 0.000 2.847 204 S HA 0.340 4.811 4.470 0.002 0.000 0.254 204 S C -0.107 174.654 174.600 0.269 0.000 1.039 204 S CA 0.132 58.527 58.200 0.324 0.000 1.113 204 S CB -0.240 63.082 63.200 0.204 0.000 1.092 204 S HN 1.290 nan 8.310 nan 0.000 0.620 205 S N -0.374 115.486 115.700 0.267 0.000 2.547 205 S HA 0.787 5.258 4.470 0.002 0.000 0.270 205 S C 0.792 175.479 174.600 0.144 0.000 1.150 205 S CA -0.313 57.986 58.200 0.165 0.000 0.850 205 S CB 0.997 64.278 63.200 0.134 0.000 1.118 205 S HN 0.570 nan 8.310 nan 0.000 0.461 206 A N 1.070 123.946 122.820 0.093 0.000 1.978 206 A HA -0.126 4.195 4.320 0.002 0.000 0.220 206 A C 2.092 179.639 177.584 -0.062 0.000 1.170 206 A CA 2.314 54.377 52.037 0.043 0.000 0.636 206 A CB -1.115 17.977 19.000 0.153 0.000 0.810 206 A HN 0.944 nan 8.150 nan 0.000 0.448 207 Q N 0.257 120.119 119.800 0.105 0.000 2.124 207 Q HA -0.160 4.181 4.340 0.002 0.000 0.202 207 Q C 1.741 177.776 176.000 0.059 0.000 0.977 207 Q CA 2.233 58.090 55.803 0.090 0.000 0.850 207 Q CB -0.385 28.488 28.738 0.225 0.000 0.901 207 Q HN 0.751 nan 8.270 nan 0.000 0.429 208 E N -0.593 119.675 120.200 0.114 0.000 2.106 208 E HA -0.134 4.217 4.350 0.002 0.000 0.192 208 E C 2.013 178.781 176.600 0.281 0.000 0.984 208 E CA 1.222 57.735 56.400 0.188 0.000 0.806 208 E CB -0.116 29.738 29.700 0.258 0.000 0.750 208 E HN 0.460 nan 8.360 nan 0.000 0.458 209 M N -0.001 119.681 119.600 0.138 0.000 2.086 209 M HA -0.157 4.324 4.480 0.002 0.000 0.261 209 M C 2.188 178.513 176.300 0.042 0.000 1.067 209 M CA 1.447 56.754 55.300 0.012 0.000 1.116 209 M CB -0.340 32.036 32.600 -0.374 0.000 1.348 209 M HN 0.137 nan 8.290 nan 0.000 0.407 210 F N 0.962 120.701 119.950 -0.352 0.000 2.095 210 F HA -0.265 4.263 4.527 0.002 0.000 0.298 210 F C 2.280 177.979 175.800 -0.169 0.000 1.104 210 F CA 1.799 59.535 58.000 -0.440 0.000 1.232 210 F CB -0.175 38.251 39.000 -0.958 0.000 0.987 210 F HN 0.051 nan 8.300 nan 0.000 0.475 211 T N -0.391 114.033 114.554 -0.217 0.000 2.708 211 T HA -0.240 4.111 4.350 0.002 0.000 0.266 211 T C 1.532 176.079 174.700 -0.255 0.000 1.037 211 T CA 1.893 63.813 62.100 -0.300 0.000 1.146 211 T CB -0.735 68.010 68.868 -0.205 0.000 0.865 211 T HN 0.347 nan 8.240 nan 0.000 0.435 212 Y N 0.919 121.170 120.300 -0.082 0.000 2.165 212 Y HA -0.050 4.501 4.550 0.002 0.000 0.286 212 Y C 2.290 178.147 175.900 -0.070 0.000 1.155 212 Y CA 0.945 59.013 58.100 -0.053 0.000 1.164 212 Y CB -0.391 38.148 38.460 0.131 0.000 0.978 212 Y HN 0.165 nan 8.280 nan 0.000 0.513 213 I N -1.535 119.121 120.570 0.143 0.000 2.361 213 I HA -0.354 3.817 4.170 0.002 0.000 0.251 213 I C 2.178 178.232 176.117 -0.104 0.000 1.133 213 I CA 0.854 62.173 61.300 0.031 0.000 1.413 213 I CB -0.411 37.596 38.000 0.011 0.000 1.073 213 I HN 0.346 nan 8.210 nan 0.000 0.424 214 C N 0.557 119.690 119.300 -0.278 0.000 2.457 214 C HA -0.090 4.371 4.460 0.002 0.000 0.278 214 C C 2.588 177.480 174.990 -0.163 0.000 1.309 214 C CA 0.623 59.469 59.018 -0.288 0.000 1.735 214 C CB -1.287 26.166 27.740 -0.479 0.000 1.992 214 C HN 0.544 nan 8.230 nan 0.000 0.493 215 N N 0.040 118.625 118.700 -0.191 0.000 2.188 215 N HA -0.133 4.608 4.740 0.002 0.000 0.184 215 N C 1.445 176.859 175.510 -0.160 0.000 1.018 215 N CA 1.316 54.240 53.050 -0.209 0.000 0.858 215 N CB -0.742 37.537 38.487 -0.346 0.000 0.989 215 N HN 0.751 nan 8.380 nan 0.000 0.426 216 H N 0.707 119.635 119.070 -0.237 0.000 2.321 216 H HA 0.060 4.617 4.556 0.002 0.000 0.300 216 H C 2.144 177.518 175.328 0.076 0.000 1.087 216 H CA 1.488 57.486 56.048 -0.084 0.000 1.319 216 H CB -0.022 29.738 29.762 -0.004 0.000 1.379 216 H HN 0.072 nan 8.280 nan 0.000 0.501 217 I N 0.743 121.470 120.570 0.262 0.000 2.179 217 I HA -0.273 3.898 4.170 0.002 0.000 0.242 217 I C 2.360 178.560 176.117 0.138 0.000 1.088 217 I CA 1.442 62.853 61.300 0.185 0.000 1.357 217 I CB -0.260 37.767 38.000 0.045 0.000 1.051 217 I HN 0.330 nan 8.210 nan 0.000 0.409 218 K N -0.015 120.433 120.400 0.080 0.000 2.026 218 K HA -0.243 4.078 4.320 0.002 0.000 0.208 218 K C 2.242 178.898 176.600 0.092 0.000 1.048 218 K CA 1.797 58.117 56.287 0.056 0.000 0.929 218 K CB -0.457 32.052 32.500 0.015 0.000 0.713 218 K HN 0.278 nan 8.250 nan 0.000 0.439 219 Y N 1.497 121.815 120.300 0.030 0.000 2.163 219 Y HA -0.193 4.358 4.550 0.002 0.000 0.288 219 Y C 2.267 178.226 175.900 0.099 0.000 1.136 219 Y CA 1.370 59.517 58.100 0.078 0.000 1.147 219 Y CB -0.368 38.184 38.460 0.154 0.000 0.987 219 Y HN 0.037 nan 8.280 nan 0.000 0.509 220 A N -0.626 122.384 122.820 0.317 0.000 1.902 220 A HA -0.159 4.162 4.320 0.002 0.000 0.217 220 A C 2.207 179.863 177.584 0.120 0.000 1.181 220 A CA 2.254 54.436 52.037 0.242 0.000 0.623 220 A CB -1.321 17.870 19.000 0.318 0.000 0.818 220 A HN 0.514 nan 8.150 nan 0.000 0.443 221 T N -0.376 114.244 114.554 0.109 0.000 2.708 221 T HA -0.133 4.218 4.350 0.002 0.000 0.266 221 T C 1.034 175.744 174.700 0.017 0.000 1.037 221 T CA 1.063 63.211 62.100 0.080 0.000 1.146 221 T CB -0.572 68.340 68.868 0.073 0.000 0.865 221 T HN 0.746 nan 8.240 nan 0.000 0.435 222 N N 0.939 119.617 118.700 -0.037 0.000 2.714 222 N HA -0.280 4.461 4.740 0.002 0.000 0.252 222 N C -0.639 174.844 175.510 -0.045 0.000 1.014 222 N CA 0.071 53.072 53.050 -0.082 0.000 0.735 222 N CB -0.575 37.823 38.487 -0.149 0.000 0.924 222 N HN 0.412 nan 8.380 nan 0.000 0.540 223 R N -2.131 118.355 120.500 -0.022 0.000 3.627 223 R HA -0.253 4.088 4.340 0.002 0.000 0.281 223 R C 1.215 177.503 176.300 -0.020 0.000 1.140 223 R CA 1.011 57.099 56.100 -0.019 0.000 0.761 223 R CB -2.129 28.155 30.300 -0.026 0.000 1.181 223 R HN 0.849 nan 8.270 nan 0.000 0.472 224 G N -0.140 108.657 108.800 -0.005 0.000 2.259 224 G HA2 -0.331 3.630 3.960 0.002 0.000 0.217 224 G HA3 -0.331 3.630 3.960 0.002 0.000 0.217 224 G C -0.021 174.874 174.900 -0.008 0.000 1.001 224 G CA 0.122 45.220 45.100 -0.003 0.000 0.627 224 G HN 0.484 nan 8.290 nan 0.000 0.501 225 N N 1.240 119.922 118.700 -0.030 0.000 3.322 225 N HA 0.426 5.167 4.740 0.002 0.000 0.290 225 N C 0.215 175.703 175.510 -0.036 0.000 1.297 225 N CA -0.715 52.300 53.050 -0.058 0.000 1.167 225 N CB -0.117 38.329 38.487 -0.069 0.000 1.434 225 N HN 0.139 nan 8.380 nan 0.000 0.526 226 L N 2.097 123.332 121.223 0.019 0.000 2.573 226 L HA -0.015 4.327 4.340 0.002 0.000 0.290 226 L C 0.695 177.685 176.870 0.199 0.000 1.247 226 L CA 1.159 56.082 54.840 0.138 0.000 0.876 226 L CB 0.054 42.284 42.059 0.286 0.000 1.123 226 L HN 0.344 nan 8.230 nan 0.000 0.505 227 R N 1.494 122.123 120.500 0.215 0.000 2.513 227 R HA 0.412 4.753 4.340 0.002 0.000 0.301 227 R C -0.551 175.935 176.300 0.311 0.000 0.968 227 R CA -0.666 55.589 56.100 0.259 0.000 0.872 227 R CB 1.628 31.965 30.300 0.061 0.000 1.177 227 R HN 0.579 nan 8.270 nan 0.000 0.444 228 S N 1.674 117.558 115.700 0.306 0.000 2.537 228 S HA 0.347 4.818 4.470 0.002 0.000 0.286 228 S C -0.167 174.483 174.600 0.084 0.000 1.299 228 S CA -0.104 58.165 58.200 0.114 0.000 1.067 228 S CB 0.971 64.189 63.200 0.030 0.000 0.864 228 S HN 0.690 nan 8.310 nan 0.000 0.494 229 A N 2.993 125.818 122.820 0.008 0.000 2.594 229 A HA 0.860 5.181 4.320 0.002 0.000 0.291 229 A C -1.159 176.414 177.584 -0.019 0.000 1.105 229 A CA -0.695 51.268 52.037 -0.124 0.000 0.694 229 A CB 1.279 20.122 19.000 -0.262 0.000 1.291 229 A HN 0.798 nan 8.150 nan 0.000 0.410 230 I N 0.279 120.827 120.570 -0.037 0.000 2.752 230 I HA 0.615 4.786 4.170 0.002 0.000 0.295 230 I C -1.195 175.018 176.117 0.159 0.000 1.219 230 I CA -0.087 61.327 61.300 0.189 0.000 1.030 230 I CB 2.417 40.490 38.000 0.122 0.000 1.259 230 I HN 0.610 nan 8.210 nan 0.000 0.423 231 T N 6.217 120.912 114.554 0.235 0.000 2.792 231 T HA 0.497 4.848 4.350 0.002 0.000 0.280 231 T C -0.849 173.670 174.700 -0.301 0.000 0.990 231 T CA -0.391 61.706 62.100 -0.006 0.000 0.960 231 T CB 1.657 70.522 68.868 -0.005 0.000 0.939 231 T HN 0.268 nan 8.240 nan 0.000 0.439 232 V N 4.857 124.500 119.914 -0.451 0.000 2.334 232 V HA 0.482 4.603 4.120 0.002 0.000 0.281 232 V C -0.472 175.279 176.094 -0.573 0.000 1.016 232 V CA -0.873 61.159 62.300 -0.446 0.000 0.832 232 V CB 0.010 31.552 31.823 -0.468 0.000 0.999 232 V HN 0.719 nan 8.190 nan 0.000 0.439 233 F N 4.843 124.698 119.950 -0.159 0.000 2.362 233 F HA 0.500 5.028 4.527 0.002 0.000 0.311 233 F C -1.771 173.909 175.800 -0.201 0.000 1.161 233 F CA -2.411 55.423 58.000 -0.277 0.000 1.085 233 F CB 0.087 38.934 39.000 -0.255 0.000 1.311 233 F HN 0.282 nan 8.300 nan 0.000 0.524 234 P HA -0.035 nan 4.420 nan 0.000 0.263 234 P C -0.969 176.335 177.300 0.006 0.000 1.175 234 P CA -0.007 62.971 63.100 -0.202 0.000 0.761 234 P CB 0.188 31.546 31.700 -0.569 0.000 0.794 235 Q N 3.414 123.203 119.800 -0.018 0.000 2.492 235 Q HA 0.157 4.498 4.340 0.002 0.000 0.238 235 Q C -0.223 175.679 176.000 -0.162 0.000 1.045 235 Q CA -0.307 55.272 55.803 -0.373 0.000 0.934 235 Q CB 0.554 28.834 28.738 -0.764 0.000 1.276 235 Q HN 0.344 nan 8.270 nan 0.000 0.521 236 R N -0.029 120.348 120.500 -0.205 0.000 2.594 236 R HA 0.462 4.803 4.340 0.002 0.000 0.272 236 R C -0.692 175.555 176.300 -0.088 0.000 1.074 236 R CA 0.247 56.303 56.100 -0.075 0.000 1.105 236 R CB 0.716 30.964 30.300 -0.087 0.000 1.008 236 R HN 0.725 nan 8.270 nan 0.000 0.472 237 A N 3.708 126.516 122.820 -0.019 0.000 2.414 237 A HA 0.515 4.836 4.320 0.002 0.000 0.306 237 A C -2.518 175.061 177.584 -0.008 0.000 1.054 237 A CA -2.060 49.967 52.037 -0.017 0.000 0.724 237 A CB 1.459 20.477 19.000 0.030 0.000 1.267 237 A HN 0.402 nan 8.150 nan 0.000 0.418 238 P HA 0.211 nan 4.420 nan 0.000 0.262 238 P C 1.157 178.460 177.300 0.005 0.000 1.182 238 P CA 2.232 65.328 63.100 -0.006 0.000 0.761 238 P CB 0.574 32.272 31.700 -0.004 0.000 0.795 239 G N 1.986 110.788 108.800 0.003 0.000 2.196 239 G HA2 -0.308 3.653 3.960 0.002 0.000 0.268 239 G HA3 -0.308 3.653 3.960 0.002 0.000 0.268 239 G C 0.355 175.260 174.900 0.009 0.000 0.975 239 G CA 0.093 45.197 45.100 0.007 0.000 0.648 239 G HN 0.715 nan 8.290 nan 0.000 0.538 240 R N 0.429 120.935 120.500 0.010 0.000 2.711 240 R HA 0.578 4.919 4.340 0.002 0.000 0.284 240 R C 0.923 177.227 176.300 0.006 0.000 0.968 240 R CA -0.020 56.086 56.100 0.010 0.000 0.924 240 R CB 0.926 31.240 30.300 0.024 0.000 1.162 240 R HN 0.300 nan 8.270 nan 0.000 0.465 241 G N 1.579 110.373 108.800 -0.009 0.000 2.636 241 G HA2 0.038 3.999 3.960 0.002 0.000 0.246 241 G HA3 0.038 3.999 3.960 0.002 0.000 0.246 241 G C -0.611 174.283 174.900 -0.009 0.000 1.216 241 G CA -0.358 44.735 45.100 -0.011 0.000 0.854 241 G HN 0.596 nan 8.290 nan 0.000 0.572 242 D N -0.660 119.753 120.400 0.021 0.000 2.294 242 D HA 0.372 5.013 4.640 0.002 0.000 0.250 242 D C -0.263 176.080 176.300 0.072 0.000 1.058 242 D CA -0.042 54.009 54.000 0.084 0.000 0.950 242 D CB 1.062 41.918 40.800 0.093 0.000 1.158 242 D HN 0.092 nan 8.370 nan 0.000 0.453 243 F N 1.240 121.219 119.950 0.049 0.000 2.410 243 F HA 0.350 4.878 4.527 0.002 0.000 0.348 243 F C 1.044 176.874 175.800 0.051 0.000 1.106 243 F CA 0.009 58.025 58.000 0.028 0.000 1.163 243 F CB 0.682 39.690 39.000 0.014 0.000 1.129 243 F HN -0.186 nan 8.300 nan 0.000 0.516 244 R N 3.444 124.068 120.500 0.206 0.000 2.707 244 R HA 0.521 4.862 4.340 0.002 0.000 0.272 244 R C -1.384 175.050 176.300 0.224 0.000 1.011 244 R CA -0.847 55.388 56.100 0.225 0.000 0.893 244 R CB 2.304 32.776 30.300 0.288 0.000 1.233 244 R HN 0.616 nan 8.270 nan 0.000 0.464 245 I N 1.861 122.558 120.570 0.211 0.000 2.354 245 I HA 0.160 4.331 4.170 0.002 0.000 0.286 245 I C 0.475 176.790 176.117 0.330 0.000 1.007 245 I CA -0.445 60.967 61.300 0.187 0.000 1.167 245 I CB 1.137 39.190 38.000 0.087 0.000 1.320 245 I HN 0.526 nan 8.210 nan 0.000 0.458 246 W N 3.595 124.936 121.300 0.069 0.000 2.363 246 W HA -0.114 4.547 4.660 0.002 0.000 0.296 246 W C 1.040 177.667 176.519 0.179 0.000 1.212 246 W CA 0.268 57.724 57.345 0.185 0.000 1.260 246 W CB -0.826 28.720 29.460 0.143 0.000 1.131 246 W HN 0.407 nan 8.180 nan 0.000 0.530 247 N N -0.075 118.786 118.700 0.270 0.000 2.453 247 N HA 0.005 4.746 4.740 0.002 0.000 0.253 247 N C 1.340 176.913 175.510 0.105 0.000 1.252 247 N CA 0.897 54.027 53.050 0.134 0.000 0.917 247 N CB 0.629 39.131 38.487 0.025 0.000 1.117 247 N HN -0.090 nan 8.380 nan 0.000 0.442 248 S N 0.252 116.003 115.700 0.084 0.000 2.436 248 S HA 0.004 4.475 4.470 0.002 0.000 0.228 248 S C 0.328 174.924 174.600 -0.008 0.000 1.014 248 S CA 0.574 58.811 58.200 0.063 0.000 0.950 248 S CB 0.096 63.354 63.200 0.097 0.000 0.784 248 S HN 0.635 nan 8.310 nan 0.000 0.504 249 Q N -0.655 119.124 119.800 -0.036 0.000 2.456 249 Q HA 0.503 4.844 4.340 0.002 0.000 0.283 249 Q C 0.146 176.056 176.000 -0.150 0.000 1.084 249 Q CA -0.560 55.180 55.803 -0.105 0.000 0.801 249 Q CB 1.982 30.684 28.738 -0.060 0.000 1.434 249 Q HN 0.128 nan 8.270 nan 0.000 0.419 250 L N 0.104 121.210 121.223 -0.195 0.000 2.201 250 L HA 0.025 4.366 4.340 0.002 0.000 0.212 250 L C 0.332 177.048 176.870 -0.257 0.000 1.105 250 L CA 0.769 55.495 54.840 -0.190 0.000 0.775 250 L CB 0.092 42.034 42.059 -0.195 0.000 0.913 250 L HN 0.242 nan 8.230 nan 0.000 0.440 251 V N 0.862 120.528 119.914 -0.414 0.000 2.483 251 V HA 0.489 4.610 4.120 0.002 0.000 0.297 251 V C -0.302 175.278 176.094 -0.857 0.000 1.027 251 V CA -0.683 61.204 62.300 -0.689 0.000 0.855 251 V CB 1.746 32.972 31.823 -0.994 0.000 0.995 251 V HN 0.169 nan 8.190 nan 0.000 0.424 252 R N 2.904 123.044 120.500 -0.599 0.000 2.668 252 R HA 0.506 4.847 4.340 0.002 0.000 0.272 252 R C -1.901 174.213 176.300 -0.310 0.000 1.019 252 R CA -0.827 55.042 56.100 -0.385 0.000 0.894 252 R CB 2.483 32.690 30.300 -0.155 0.000 1.228 252 R HN 0.558 nan 8.270 nan 0.000 0.460 253 Y N 0.556 120.849 120.300 -0.012 0.000 2.313 253 Y HA 0.395 4.946 4.550 0.002 0.000 0.332 253 Y C 0.978 176.837 175.900 -0.068 0.000 1.071 253 Y CA -0.650 57.447 58.100 -0.005 0.000 1.169 253 Y CB 1.207 39.710 38.460 0.072 0.000 1.192 253 Y HN 0.715 nan 8.280 nan 0.000 0.487 254 A N 2.055 124.898 122.820 0.038 0.000 2.547 254 A HA 0.463 4.784 4.320 0.002 0.000 0.233 254 A C 0.705 178.049 177.584 -0.399 0.000 1.067 254 A CA 0.479 52.373 52.037 -0.237 0.000 0.763 254 A CB -0.292 18.493 19.000 -0.358 0.000 1.007 254 A HN 0.972 nan 8.150 nan 0.000 0.506 255 G N 0.524 109.065 108.800 -0.432 0.000 2.782 255 G HA2 0.547 4.508 3.960 0.002 0.000 0.289 255 G HA3 0.547 4.508 3.960 0.002 0.000 0.289 255 G C -1.055 173.684 174.900 -0.269 0.000 1.463 255 G CA -0.291 44.621 45.100 -0.314 0.000 1.019 255 G HN 0.564 nan 8.290 nan 0.000 0.536 256 Y N 2.399 122.710 120.300 0.019 0.000 2.342 256 Y HA 0.432 4.983 4.550 0.002 0.000 0.338 256 Y C 0.995 176.894 175.900 -0.001 0.000 0.965 256 Y CA -1.261 56.852 58.100 0.021 0.000 1.159 256 Y CB 1.364 39.835 38.460 0.017 0.000 1.157 256 Y HN 0.186 nan 8.280 nan 0.000 0.486 257 R N 3.935 124.525 120.500 0.151 0.000 2.401 257 R HA 0.177 4.518 4.340 0.002 0.000 0.299 257 R C -0.369 175.974 176.300 0.072 0.000 1.064 257 R CA 0.079 56.229 56.100 0.082 0.000 1.000 257 R CB 0.679 31.015 30.300 0.061 0.000 0.973 257 R HN 0.841 nan 8.270 nan 0.000 0.438 258 Q N 1.103 120.932 119.800 0.047 0.000 3.156 258 Q HA 0.203 4.544 4.340 0.002 0.000 0.301 258 Q C 0.709 176.718 176.000 0.014 0.000 1.026 258 Q CA -1.009 54.809 55.803 0.026 0.000 0.827 258 Q CB 1.052 29.804 28.738 0.023 0.000 1.490 258 Q HN 0.423 nan 8.270 nan 0.000 0.492 259 Q N 1.169 120.972 119.800 0.005 0.000 2.746 259 Q HA -0.271 4.070 4.340 0.002 0.000 0.484 259 Q C 0.321 176.324 176.000 0.005 0.000 0.488 259 Q CA 2.302 58.106 55.803 0.002 0.000 1.016 259 Q CB -0.964 27.774 28.738 0.000 0.000 1.748 259 Q HN 0.887 nan 8.270 nan 0.000 1.129 260 D N 0.453 120.856 120.400 0.005 0.000 3.085 260 D HA 0.226 4.867 4.640 0.002 0.000 0.243 260 D C 1.029 177.334 176.300 0.010 0.000 1.232 260 D CA 0.725 54.729 54.000 0.007 0.000 0.913 260 D CB -0.178 40.625 40.800 0.005 0.000 1.108 260 D HN 0.754 nan 8.370 nan 0.000 0.468 261 G N 1.006 109.813 108.800 0.013 0.000 2.284 261 G HA2 -0.389 3.572 3.960 0.002 0.000 0.261 261 G HA3 -0.389 3.572 3.960 0.002 0.000 0.261 261 G C 0.663 175.573 174.900 0.016 0.000 0.997 261 G CA 0.626 45.735 45.100 0.016 0.000 0.621 261 G HN 0.855 nan 8.290 nan 0.000 0.534 262 S N -0.858 114.850 115.700 0.012 0.000 2.589 262 S HA 0.480 4.951 4.470 0.002 0.000 0.256 262 S C 0.163 174.768 174.600 0.008 0.000 1.383 262 S CA 0.424 58.629 58.200 0.007 0.000 0.983 262 S CB 1.773 64.976 63.200 0.005 0.000 0.908 262 S HN 1.327 nan 8.310 nan 0.000 0.572 263 V N 0.935 120.844 119.914 -0.009 0.000 2.760 263 V HA 0.529 4.650 4.120 0.002 0.000 0.309 263 V C -0.092 175.975 176.094 -0.045 0.000 1.077 263 V CA -0.832 61.459 62.300 -0.016 0.000 0.910 263 V CB 1.822 33.620 31.823 -0.041 0.000 1.008 263 V HN 0.952 nan 8.190 nan 0.000 0.424 264 R N 2.378 122.880 120.500 0.003 0.000 2.294 264 R HA 0.681 5.022 4.340 0.002 0.000 0.319 264 R C 0.587 176.828 176.300 -0.098 0.000 0.984 264 R CA 0.921 57.019 56.100 -0.005 0.000 0.861 264 R CB 1.113 31.487 30.300 0.123 0.000 1.104 264 R HN 1.250 nan 8.270 nan 0.000 0.451 265 G N 3.026 111.655 108.800 -0.286 0.000 2.464 265 G HA2 -0.247 3.714 3.960 0.002 0.000 0.216 265 G HA3 -0.247 3.714 3.960 0.002 0.000 0.216 265 G C -1.288 173.160 174.900 -0.753 0.000 1.186 265 G CA -0.100 44.733 45.100 -0.445 0.000 1.010 265 G HN 0.619 nan 8.290 nan 0.000 0.585 266 D N 1.713 121.872 120.400 -0.402 0.000 2.396 266 D HA 0.576 5.217 4.640 0.002 0.000 0.225 266 D C -1.086 175.139 176.300 -0.126 0.000 1.121 266 D CA -1.992 51.865 54.000 -0.239 0.000 0.853 266 D CB 1.494 42.468 40.800 0.290 0.000 1.043 266 D HN -0.020 nan 8.370 nan 0.000 0.500 267 P HA -0.108 nan 4.420 nan 0.000 0.219 267 P C 0.883 178.198 177.300 0.026 0.000 1.146 267 P CA 0.968 64.039 63.100 -0.048 0.000 0.808 267 P CB 0.304 31.983 31.700 -0.034 0.000 0.779 268 A N -0.495 122.364 122.820 0.064 0.000 2.067 268 A HA -0.116 4.205 4.320 0.002 0.000 0.219 268 A C 1.609 179.250 177.584 0.095 0.000 1.158 268 A CA 1.314 53.415 52.037 0.107 0.000 0.661 268 A CB -0.833 18.254 19.000 0.146 0.000 0.801 268 A HN 0.158 nan 8.150 nan 0.000 0.452 269 N N -0.167 118.572 118.700 0.066 0.000 2.279 269 N HA 0.142 4.883 4.740 0.002 0.000 0.226 269 N C 1.126 176.634 175.510 -0.003 0.000 1.126 269 N CA 0.187 53.260 53.050 0.037 0.000 0.846 269 N CB 0.556 39.059 38.487 0.026 0.000 1.050 269 N HN 0.206 nan 8.380 nan 0.000 0.502 270 V N 1.119 121.037 119.914 0.006 0.000 2.233 270 V HA -0.270 3.851 4.120 0.002 0.000 0.247 270 V C 2.451 178.550 176.094 0.008 0.000 1.050 270 V CA 1.880 64.183 62.300 0.004 0.000 1.010 270 V CB -0.351 31.485 31.823 0.022 0.000 0.637 270 V HN 0.383 nan 8.190 nan 0.000 0.444 271 E N -0.399 119.810 120.200 0.014 0.000 2.058 271 E HA -0.284 4.067 4.350 0.002 0.000 0.194 271 E C 2.131 178.659 176.600 -0.120 0.000 0.997 271 E CA 1.972 58.356 56.400 -0.026 0.000 0.801 271 E CB -0.206 29.517 29.700 0.037 0.000 0.746 271 E HN 0.502 nan 8.360 nan 0.000 0.450 272 I N 0.651 121.160 120.570 -0.101 0.000 2.315 272 I HA -0.204 3.967 4.170 0.002 0.000 0.248 272 I C 2.084 178.145 176.117 -0.095 0.000 1.117 272 I CA 1.528 62.741 61.300 -0.145 0.000 1.404 272 I CB -0.384 37.581 38.000 -0.058 0.000 1.071 272 I HN 0.083 nan 8.210 nan 0.000 0.419 273 T N 0.497 115.022 114.554 -0.048 0.000 2.684 273 T HA -0.195 4.156 4.350 0.002 0.000 0.267 273 T C 1.745 176.520 174.700 0.126 0.000 1.036 273 T CA 1.913 64.025 62.100 0.019 0.000 1.148 273 T CB -0.291 68.583 68.868 0.011 0.000 0.863 273 T HN 0.487 nan 8.240 nan 0.000 0.436 274 E N 0.690 120.936 120.200 0.076 0.000 2.077 274 E HA -0.049 4.302 4.350 0.002 0.000 0.193 274 E C 2.274 178.918 176.600 0.074 0.000 0.989 274 E CA 0.806 57.259 56.400 0.089 0.000 0.800 274 E CB -0.302 29.423 29.700 0.041 0.000 0.746 274 E HN 0.409 nan 8.360 nan 0.000 0.452 275 L N 0.467 121.687 121.223 -0.004 0.000 2.046 275 L HA -0.241 4.100 4.340 0.002 0.000 0.208 275 L C 2.613 179.564 176.870 0.134 0.000 1.077 275 L CA 0.847 55.705 54.840 0.031 0.000 0.747 275 L CB -0.423 41.561 42.059 -0.126 0.000 0.896 275 L HN 0.324 nan 8.230 nan 0.000 0.432 276 C N -0.145 119.191 119.300 0.061 0.000 2.429 276 C HA -0.143 4.318 4.460 0.002 0.000 0.277 276 C C 2.707 177.867 174.990 0.283 0.000 1.262 276 C CA 0.377 59.439 59.018 0.074 0.000 1.733 276 C CB -0.656 27.016 27.740 -0.114 0.000 2.010 276 C HN 0.430 nan 8.230 nan 0.000 0.483 277 I N 0.590 121.365 120.570 0.343 0.000 2.286 277 I HA -0.266 3.905 4.170 0.002 0.000 0.248 277 I C 2.622 178.830 176.117 0.152 0.000 1.115 277 I CA 1.548 63.021 61.300 0.288 0.000 1.392 277 I CB -0.616 37.518 38.000 0.223 0.000 1.065 277 I HN 0.491 nan 8.210 nan 0.000 0.418 278 Q N -0.324 119.552 119.800 0.127 0.000 2.291 278 Q HA -0.180 4.161 4.340 0.002 0.000 0.205 278 Q C 0.869 176.821 176.000 -0.079 0.000 0.970 278 Q CA 1.035 56.851 55.803 0.021 0.000 0.876 278 Q CB -0.059 28.684 28.738 0.008 0.000 0.935 278 Q HN 0.614 nan 8.270 nan 0.000 0.455 279 H N -1.392 117.674 119.070 -0.006 0.000 2.524 279 H HA 0.242 4.799 4.556 0.002 0.000 0.299 279 H C 0.702 176.012 175.328 -0.029 0.000 1.074 279 H CA 0.513 56.532 56.048 -0.049 0.000 1.115 279 H CB 0.584 30.277 29.762 -0.115 0.000 1.522 279 H HN 0.366 nan 8.280 nan 0.000 0.543 280 G N -0.301 108.543 108.800 0.073 0.000 2.157 280 G HA2 -0.269 3.692 3.960 0.002 0.000 0.239 280 G HA3 -0.269 3.692 3.960 0.002 0.000 0.239 280 G C -0.020 174.948 174.900 0.114 0.000 0.982 280 G CA -0.107 45.023 45.100 0.051 0.000 0.650 280 G HN 0.402 nan 8.290 nan 0.000 0.527 281 W N 2.385 123.671 121.300 -0.023 0.000 2.238 281 W HA 0.631 5.292 4.660 0.002 0.000 0.321 281 W C 0.310 176.826 176.519 -0.005 0.000 1.293 281 W CA 0.180 57.514 57.345 -0.018 0.000 1.204 281 W CB 0.809 30.267 29.460 -0.002 0.000 1.167 281 W HN 0.039 nan 8.180 nan 0.000 0.553 282 T N 9.768 123.959 114.554 -0.605 0.000 2.782 282 T HA 0.160 4.511 4.350 0.002 0.000 0.298 282 T C -1.968 171.966 174.700 -1.277 0.000 0.944 282 T CA -0.858 60.849 62.100 -0.654 0.000 1.001 282 T CB 0.106 68.752 68.868 -0.370 0.000 0.932 282 T HN 0.247 nan 8.240 nan 0.000 0.524 283 P HA 0.270 nan 4.420 nan 0.000 0.271 283 P C 0.392 177.282 177.300 -0.684 0.000 1.233 283 P CA -0.210 62.139 63.100 -1.252 0.000 0.789 283 P CB 0.848 32.224 31.700 -0.541 0.000 0.951 284 G N 0.460 109.033 108.800 -0.379 0.000 2.828 284 G HA2 0.360 4.321 3.960 0.002 0.000 0.244 284 G HA3 0.360 4.321 3.960 0.002 0.000 0.244 284 G C 0.109 174.754 174.900 -0.425 0.000 1.365 284 G CA -0.584 44.401 45.100 -0.191 0.000 1.041 284 G HN 0.704 nan 8.290 nan 0.000 0.560 285 N N -0.610 117.982 118.700 -0.181 0.000 2.475 285 N HA 0.206 4.947 4.740 0.002 0.000 0.272 285 N C 0.293 175.835 175.510 0.053 0.000 1.482 285 N CA -0.011 52.913 53.050 -0.211 0.000 0.863 285 N CB 0.742 39.116 38.487 -0.188 0.000 1.400 285 N HN 0.666 nan 8.380 nan 0.000 0.489 286 G N 0.368 109.300 108.800 0.219 0.000 2.552 286 G HA2 0.399 4.360 3.960 0.002 0.000 0.318 286 G HA3 0.399 4.360 3.960 0.002 0.000 0.318 286 G C 0.504 175.512 174.900 0.180 0.000 1.240 286 G CA -0.671 44.545 45.100 0.194 0.000 1.002 286 G HN 0.112 nan 8.290 nan 0.000 0.493 287 R N -1.275 119.262 120.500 0.062 0.000 2.210 287 R HA 0.134 4.475 4.340 0.002 0.000 0.203 287 R C -0.176 175.770 176.300 -0.590 0.000 1.010 287 R CA 0.677 56.633 56.100 -0.239 0.000 1.008 287 R CB 0.181 30.299 30.300 -0.302 0.000 0.923 287 R HN 0.378 nan 8.270 nan 0.000 0.469 288 F N 1.096 120.997 119.950 -0.082 0.000 2.542 288 F HA 0.268 4.796 4.527 0.002 0.000 0.323 288 F C -0.750 175.004 175.800 -0.077 0.000 1.411 288 F CA -1.141 56.568 58.000 -0.485 0.000 1.124 288 F CB 0.668 39.168 39.000 -0.834 0.000 1.331 288 F HN -0.293 nan 8.300 nan 0.000 0.560 289 D N 1.778 122.336 120.400 0.263 0.000 2.380 289 D HA 0.179 4.820 4.640 0.002 0.000 0.230 289 D C 0.230 176.767 176.300 0.395 0.000 1.154 289 D CA 0.043 54.260 54.000 0.363 0.000 0.859 289 D CB 2.057 43.123 40.800 0.442 0.000 1.045 289 D HN -0.023 nan 8.370 nan 0.000 0.495 290 V N 3.806 123.939 119.914 0.365 0.000 2.557 290 V HA -0.086 4.035 4.120 0.002 0.000 0.301 290 V C 1.114 177.219 176.094 0.018 0.000 1.026 290 V CA 0.116 62.512 62.300 0.161 0.000 1.137 290 V CB -0.045 31.833 31.823 0.092 0.000 0.917 290 V HN 0.342 nan 8.190 nan 0.000 0.484 291 L N 8.250 129.381 121.223 -0.154 0.000 2.466 291 L HA 0.380 4.721 4.340 0.002 0.000 0.257 291 L C -1.674 174.949 176.870 -0.411 0.000 1.189 291 L CA -1.322 53.272 54.840 -0.410 0.000 0.813 291 L CB 0.704 42.541 42.059 -0.370 0.000 1.118 291 L HN 0.496 nan 8.230 nan 0.000 0.471 292 P HA 0.336 nan 4.420 nan 0.000 0.283 292 P C -1.340 175.793 177.300 -0.279 0.000 1.278 292 P CA -0.606 62.242 63.100 -0.420 0.000 0.834 292 P CB 1.293 32.617 31.700 -0.627 0.000 1.150 293 L N 0.736 121.883 121.223 -0.126 0.000 2.322 293 L HA 0.448 4.789 4.340 0.002 0.000 0.279 293 L C 0.347 177.187 176.870 -0.049 0.000 1.036 293 L CA -0.836 53.972 54.840 -0.053 0.000 0.807 293 L CB 0.902 42.989 42.059 0.047 0.000 1.226 293 L HN 0.197 nan 8.230 nan 0.000 0.433 294 L N 4.929 126.101 121.223 -0.085 0.000 2.313 294 L HA 0.452 4.793 4.340 0.002 0.000 0.273 294 L C -0.613 176.151 176.870 -0.177 0.000 1.028 294 L CA -0.226 54.481 54.840 -0.222 0.000 0.871 294 L CB 0.907 42.736 42.059 -0.384 0.000 1.242 294 L HN 0.442 nan 8.230 nan 0.000 0.434 295 L N 3.616 124.795 121.223 -0.075 0.000 2.307 295 L HA 0.487 4.828 4.340 0.002 0.000 0.282 295 L C -0.160 176.632 176.870 -0.130 0.000 1.051 295 L CA -0.322 54.475 54.840 -0.072 0.000 0.804 295 L CB 1.683 43.693 42.059 -0.081 0.000 1.197 295 L HN 0.562 nan 8.230 nan 0.000 0.431 296 Q N 2.415 122.150 119.800 -0.108 0.000 2.325 296 Q HA 0.668 5.010 4.340 0.002 0.000 0.270 296 Q C -1.146 174.783 176.000 -0.117 0.000 1.020 296 Q CA -0.595 55.141 55.803 -0.113 0.000 0.785 296 Q CB 2.198 30.913 28.738 -0.039 0.000 1.259 296 Q HN 0.782 nan 8.270 nan 0.000 0.452 297 A N 4.910 127.617 122.820 -0.188 0.000 2.279 297 A HA 0.655 4.976 4.320 0.002 0.000 0.303 297 A C -2.426 174.903 177.584 -0.424 0.000 1.108 297 A CA -1.694 50.090 52.037 -0.422 0.000 0.830 297 A CB 0.201 19.049 19.000 -0.254 0.000 1.106 297 A HN 0.635 nan 8.150 nan 0.000 0.493 298 P HA -0.036 nan 4.420 nan 0.000 0.259 298 P C -0.551 176.646 177.300 -0.173 0.000 1.163 298 P CA 0.945 63.825 63.100 -0.366 0.000 0.760 298 P CB 0.099 31.569 31.700 -0.384 0.000 0.762 299 D N -0.040 120.308 120.400 -0.086 0.000 2.860 299 D HA -0.197 4.444 4.640 0.002 0.000 0.229 299 D C -0.005 176.277 176.300 -0.030 0.000 1.169 299 D CA 1.324 55.304 54.000 -0.033 0.000 0.737 299 D CB -0.492 40.291 40.800 -0.027 0.000 1.080 299 D HN 0.459 nan 8.370 nan 0.000 0.424 300 E N -0.609 119.563 120.200 -0.047 0.000 2.256 300 E HA 0.651 5.002 4.350 0.002 0.000 0.267 300 E C 0.032 176.612 176.600 -0.033 0.000 0.892 300 E CA -0.775 55.599 56.400 -0.042 0.000 0.775 300 E CB 1.713 31.372 29.700 -0.069 0.000 1.207 300 E HN 0.143 nan 8.360 nan 0.000 0.420 301 A N 3.725 126.529 122.820 -0.026 0.000 2.498 301 A HA 0.313 4.634 4.320 0.002 0.000 0.239 301 A C -1.912 175.583 177.584 -0.148 0.000 1.068 301 A CA -0.756 51.260 52.037 -0.034 0.000 0.766 301 A CB -0.548 18.456 19.000 0.006 0.000 1.003 301 A HN 0.301 nan 8.150 nan 0.000 0.497 302 P HA 0.176 nan 4.420 nan 0.000 0.270 302 P C -0.570 176.502 177.300 -0.379 0.000 1.223 302 P CA 0.120 62.890 63.100 -0.551 0.000 0.785 302 P CB 0.695 31.611 31.700 -1.307 0.000 0.923 303 E N 0.123 120.158 120.200 -0.274 0.000 2.227 303 E HA 0.453 4.804 4.350 0.002 0.000 0.268 303 E C -0.903 175.481 176.600 -0.359 0.000 0.907 303 E CA -1.090 55.147 56.400 -0.272 0.000 0.786 303 E CB 1.598 31.185 29.700 -0.188 0.000 1.191 303 E HN 0.242 nan 8.360 nan 0.000 0.411 304 L N 2.685 123.595 121.223 -0.522 0.000 2.292 304 L HA 0.444 4.785 4.340 0.002 0.000 0.284 304 L C -1.608 174.785 176.870 -0.795 0.000 1.065 304 L CA 0.106 54.673 54.840 -0.454 0.000 0.806 304 L CB 0.137 42.037 42.059 -0.266 0.000 1.175 304 L HN 0.403 nan 8.230 nan 0.000 0.431 305 F N 4.249 123.979 119.950 -0.367 0.000 2.562 305 F HA 0.461 4.989 4.527 0.002 0.000 0.319 305 F C -0.241 175.325 175.800 -0.391 0.000 1.154 305 F CA -0.877 56.763 58.000 -0.600 0.000 0.931 305 F CB 1.759 40.041 39.000 -1.196 0.000 1.198 305 F HN 0.040 nan 8.300 nan 0.000 0.444 306 V N 4.552 124.399 119.914 -0.111 0.000 2.546 306 V HA 0.286 4.407 4.120 0.002 0.000 0.284 306 V C 0.180 176.389 176.094 0.192 0.000 1.050 306 V CA -0.674 61.646 62.300 0.034 0.000 0.981 306 V CB 1.507 33.379 31.823 0.081 0.000 0.990 306 V HN 0.537 nan 8.190 nan 0.000 0.474 307 L N 6.577 127.913 121.223 0.188 0.000 2.290 307 L HA 0.344 4.685 4.340 0.002 0.000 0.284 307 L C -2.169 174.797 176.870 0.161 0.000 1.078 307 L CA -1.653 53.325 54.840 0.229 0.000 0.815 307 L CB 1.023 43.153 42.059 0.118 0.000 1.162 307 L HN 0.449 nan 8.230 nan 0.000 0.435 308 P HA 0.025 nan 4.420 nan 0.000 0.257 308 P C -1.982 175.364 177.300 0.075 0.000 1.189 308 P CA -0.778 62.386 63.100 0.107 0.000 0.780 308 P CB 0.304 32.053 31.700 0.081 0.000 0.772 309 P HA -0.278 nan 4.420 nan 0.000 0.220 309 P C 1.401 178.731 177.300 0.051 0.000 1.155 309 P CA 1.504 64.645 63.100 0.068 0.000 0.880 309 P CB -0.190 31.553 31.700 0.072 0.000 0.790 310 E N -0.781 119.445 120.200 0.043 0.000 2.409 310 E HA -0.140 4.211 4.350 0.002 0.000 0.198 310 E C 1.482 178.096 176.600 0.024 0.000 1.024 310 E CA 1.015 57.433 56.400 0.030 0.000 0.861 310 E CB -0.868 28.847 29.700 0.025 0.000 0.788 310 E HN 0.241 nan 8.360 nan 0.000 0.521 311 L N 0.734 121.972 121.223 0.025 0.000 2.416 311 L HA 0.074 4.415 4.340 0.002 0.000 0.216 311 L C 0.785 177.668 176.870 0.021 0.000 1.098 311 L CA 0.470 55.319 54.840 0.016 0.000 0.840 311 L CB 0.511 42.572 42.059 0.002 0.000 0.981 311 L HN -0.113 nan 8.230 nan 0.000 0.462 312 V N 1.775 121.705 119.914 0.027 0.000 2.299 312 V HA 0.157 4.278 4.120 0.002 0.000 0.255 312 V C 0.063 176.186 176.094 0.048 0.000 1.100 312 V CA -0.757 61.559 62.300 0.026 0.000 0.938 312 V CB 0.606 32.438 31.823 0.014 0.000 1.139 312 V HN 0.007 nan 8.190 nan 0.000 0.490 313 L N 5.396 126.653 121.223 0.056 0.000 2.410 313 L HA 0.360 4.701 4.340 0.002 0.000 0.273 313 L C 0.258 177.173 176.870 0.076 0.000 1.152 313 L CA 0.853 55.724 54.840 0.051 0.000 0.855 313 L CB 0.225 42.310 42.059 0.044 0.000 1.129 313 L HN 0.642 nan 8.230 nan 0.000 0.463 314 E N 3.280 123.503 120.200 0.037 0.000 2.336 314 E HA 0.590 4.941 4.350 0.002 0.000 0.267 314 E C -1.496 175.060 176.600 -0.074 0.000 0.906 314 E CA -1.024 55.401 56.400 0.042 0.000 0.781 314 E CB 2.463 32.214 29.700 0.086 0.000 1.261 314 E HN 0.341 nan 8.360 nan 0.000 0.436 315 V N 2.667 122.508 119.914 -0.122 0.000 2.376 315 V HA 0.295 4.416 4.120 0.002 0.000 0.287 315 V C -2.451 173.579 176.094 -0.107 0.000 1.015 315 V CA -2.007 60.151 62.300 -0.238 0.000 0.834 315 V CB 1.350 32.764 31.823 -0.680 0.000 1.001 315 V HN 0.516 nan 8.190 nan 0.000 0.428 316 P HA 0.258 nan 4.420 nan 0.000 0.271 316 P C -0.645 176.660 177.300 0.009 0.000 1.216 316 P CA -0.041 63.026 63.100 -0.054 0.000 0.771 316 P CB 0.540 32.214 31.700 -0.043 0.000 0.864 317 L N 3.813 125.072 121.223 0.060 0.000 2.276 317 L HA 0.466 4.807 4.340 0.002 0.000 0.286 317 L C 1.021 178.062 176.870 0.285 0.000 1.061 317 L CA -0.161 54.792 54.840 0.190 0.000 0.807 317 L CB 0.506 42.736 42.059 0.286 0.000 1.177 317 L HN 0.484 nan 8.230 nan 0.000 0.429 318 E N 2.157 122.518 120.200 0.269 0.000 2.446 318 E HA 0.415 4.766 4.350 0.002 0.000 0.276 318 E C -1.418 175.262 176.600 0.133 0.000 0.969 318 E CA -0.947 55.628 56.400 0.291 0.000 0.800 318 E CB 2.350 32.161 29.700 0.186 0.000 1.341 318 E HN 0.472 nan 8.360 nan 0.000 0.460 319 H N 0.774 119.775 119.070 -0.116 0.000 2.472 319 H HA 0.267 4.824 4.556 0.002 0.000 0.338 319 H C -1.996 173.068 175.328 -0.439 0.000 1.133 319 H CA -2.079 53.729 56.048 -0.399 0.000 1.216 319 H CB 2.057 31.456 29.762 -0.605 0.000 1.497 319 H HN 0.341 nan 8.280 nan 0.000 0.500 320 P HA -0.141 nan 4.420 nan 0.000 0.216 320 P C 1.009 178.161 177.300 -0.247 0.000 1.150 320 P CA 2.422 65.042 63.100 -0.800 0.000 0.843 320 P CB 0.400 31.639 31.700 -0.770 0.000 0.787 321 T N -5.861 108.734 114.554 0.068 0.000 2.964 321 T HA 0.184 4.535 4.350 0.002 0.000 0.250 321 T C 0.663 175.307 174.700 -0.094 0.000 0.982 321 T CA -0.169 61.935 62.100 0.006 0.000 0.959 321 T CB -0.626 68.250 68.868 0.014 0.000 1.141 321 T HN -0.103 nan 8.240 nan 0.000 0.494 322 L N 3.630 124.694 121.223 -0.266 0.000 2.401 322 L HA 0.308 4.649 4.340 0.002 0.000 0.283 322 L C 1.589 178.085 176.870 -0.623 0.000 1.151 322 L CA -0.549 53.871 54.840 -0.700 0.000 0.942 322 L CB 0.454 41.677 42.059 -1.394 0.000 1.283 322 L HN 0.359 nan 8.230 nan 0.000 0.442 323 E N 3.055 123.061 120.200 -0.323 0.000 2.108 323 E HA -0.292 4.059 4.350 0.002 0.000 0.203 323 E C 1.717 178.268 176.600 -0.082 0.000 1.022 323 E CA 2.082 58.407 56.400 -0.125 0.000 0.823 323 E CB -0.416 29.291 29.700 0.013 0.000 0.744 323 E HN 0.766 nan 8.360 nan 0.000 0.456 324 W N -0.023 121.322 121.300 0.075 0.000 2.465 324 W HA 0.017 4.678 4.660 0.002 0.000 0.268 324 W C 1.547 178.120 176.519 0.091 0.000 1.242 324 W CA 0.146 57.530 57.345 0.065 0.000 1.248 324 W CB -1.034 28.446 29.460 0.034 0.000 1.118 324 W HN -0.004 nan 8.180 nan 0.000 0.587 325 F N 2.984 122.683 119.950 -0.418 0.000 2.120 325 F HA -0.189 4.339 4.527 0.002 0.000 0.300 325 F C 2.710 178.530 175.800 0.033 0.000 1.095 325 F CA 3.089 60.968 58.000 -0.202 0.000 1.249 325 F CB -0.632 38.121 39.000 -0.412 0.000 0.995 325 F HN -0.070 nan 8.300 nan 0.000 0.480 326 A N -0.016 122.903 122.820 0.165 0.000 1.972 326 A HA -0.088 4.233 4.320 0.002 0.000 0.219 326 A C 2.326 179.942 177.584 0.052 0.000 1.169 326 A CA 1.525 53.632 52.037 0.116 0.000 0.635 326 A CB -1.453 17.610 19.000 0.105 0.000 0.810 326 A HN 0.452 nan 8.150 nan 0.000 0.446 327 A N -0.241 122.626 122.820 0.079 0.000 2.070 327 A HA 0.003 4.324 4.320 0.002 0.000 0.220 327 A C 1.963 179.570 177.584 0.037 0.000 1.159 327 A CA 1.233 53.314 52.037 0.073 0.000 0.656 327 A CB -0.587 18.484 19.000 0.118 0.000 0.800 327 A HN 0.509 nan 8.150 nan 0.000 0.453 328 L N -1.151 120.061 121.223 -0.018 0.000 2.353 328 L HA -0.026 4.315 4.340 0.002 0.000 0.220 328 L C 1.812 178.676 176.870 -0.009 0.000 1.133 328 L CA 0.686 55.493 54.840 -0.054 0.000 0.798 328 L CB -0.694 41.224 42.059 -0.236 0.000 0.922 328 L HN 0.596 nan 8.230 nan 0.000 0.445 329 G N 0.652 109.441 108.800 -0.018 0.000 2.176 329 G HA2 -0.278 3.683 3.960 0.002 0.000 0.252 329 G HA3 -0.278 3.683 3.960 0.002 0.000 0.252 329 G C 0.116 174.966 174.900 -0.083 0.000 1.024 329 G CA -0.081 45.012 45.100 -0.011 0.000 0.755 329 G HN 0.243 nan 8.290 nan 0.000 0.507 330 L N -0.258 120.898 121.223 -0.112 0.000 2.418 330 L HA 0.809 5.150 4.340 0.002 0.000 0.265 330 L C 1.071 177.728 176.870 -0.355 0.000 1.143 330 L CA -0.636 54.078 54.840 -0.211 0.000 0.809 330 L CB 1.037 43.094 42.059 -0.004 0.000 1.124 330 L HN 0.583 nan 8.230 nan 0.000 0.456 331 R N 1.495 121.606 120.500 -0.648 0.000 2.712 331 R HA 0.494 4.835 4.340 0.002 0.000 0.272 331 R C -2.210 174.063 176.300 -0.044 0.000 1.032 331 R CA -1.027 54.860 56.100 -0.355 0.000 0.874 331 R CB 1.696 31.713 30.300 -0.472 0.000 1.256 331 R HN 0.652 nan 8.270 nan 0.000 0.468 332 W N 2.019 123.313 121.300 -0.010 0.000 3.296 332 W HA 0.317 4.978 4.660 0.002 0.000 0.314 332 W C -1.177 175.471 176.519 0.216 0.000 1.238 332 W CA -0.990 56.454 57.345 0.165 0.000 1.193 332 W CB 1.848 31.308 29.460 -0.000 0.000 1.383 332 W HN 0.706 nan 8.180 nan 0.000 0.545 333 Y N 1.344 121.591 120.300 -0.089 0.000 2.357 333 Y HA 0.493 5.044 4.550 0.002 0.000 0.340 333 Y C 0.832 176.995 175.900 0.439 0.000 1.260 333 Y CA 0.339 58.480 58.100 0.068 0.000 1.425 333 Y CB 0.159 38.518 38.460 -0.168 0.000 1.326 333 Y HN 0.345 nan 8.280 nan 0.000 0.580 334 A N 2.177 125.299 122.820 0.504 0.000 2.021 334 A HA 0.087 4.408 4.320 0.002 0.000 0.216 334 A C 0.487 178.418 177.584 0.577 0.000 1.163 334 A CA 0.309 52.679 52.037 0.556 0.000 0.676 334 A CB -0.268 18.891 19.000 0.266 0.000 0.818 334 A HN 0.669 nan 8.150 nan 0.000 0.453 335 L N 2.007 123.528 121.223 0.498 0.000 2.264 335 L HA 0.416 4.757 4.340 0.002 0.000 0.287 335 L C -2.586 174.427 176.870 0.238 0.000 1.039 335 L CA -2.211 52.812 54.840 0.305 0.000 0.829 335 L CB 1.563 43.730 42.059 0.180 0.000 1.211 335 L HN -0.035 nan 8.230 nan 0.000 0.427 336 P HA 0.316 nan 4.420 nan 0.000 0.291 336 P C -1.338 175.872 177.300 -0.151 0.000 1.378 336 P CA -0.326 62.639 63.100 -0.226 0.000 0.853 336 P CB 1.302 32.436 31.700 -0.944 0.000 1.002 337 A N 4.728 127.464 122.820 -0.140 0.000 2.483 337 A HA 0.393 4.714 4.320 0.002 0.000 0.308 337 A C -0.040 177.320 177.584 -0.374 0.000 1.291 337 A CA -0.667 51.221 52.037 -0.248 0.000 0.774 337 A CB 0.574 19.447 19.000 -0.212 0.000 1.134 337 A HN 0.302 nan 8.150 nan 0.000 0.471 338 V N 2.718 122.248 119.914 -0.640 0.000 2.585 338 V HA 0.184 4.305 4.120 0.002 0.000 0.296 338 V C 1.242 176.942 176.094 -0.657 0.000 1.035 338 V CA 1.370 63.253 62.300 -0.695 0.000 1.084 338 V CB 0.981 32.182 31.823 -1.036 0.000 0.953 338 V HN 1.076 nan 8.190 nan 0.000 0.483 339 S N 1.542 117.055 115.700 -0.311 0.000 2.847 339 S HA 0.064 4.535 4.470 0.002 0.000 0.254 339 S C 0.749 175.329 174.600 -0.034 0.000 1.039 339 S CA 0.046 58.148 58.200 -0.164 0.000 1.113 339 S CB -0.412 62.726 63.200 -0.103 0.000 1.092 339 S HN 0.916 nan 8.310 nan 0.000 0.620 340 N N 0.489 119.176 118.700 -0.023 0.000 2.203 340 N HA 0.293 5.034 4.740 0.002 0.000 0.207 340 N C 0.211 175.771 175.510 0.084 0.000 1.130 340 N CA -0.506 52.572 53.050 0.047 0.000 0.861 340 N CB 0.121 38.641 38.487 0.055 0.000 1.005 340 N HN 0.269 nan 8.380 nan 0.000 0.507 341 M N 1.344 121.001 119.600 0.094 0.000 2.359 341 M HA 0.320 4.801 4.480 0.002 0.000 0.322 341 M C -0.588 175.841 176.300 0.215 0.000 1.166 341 M CA -0.809 54.588 55.300 0.163 0.000 1.067 341 M CB 2.363 35.086 32.600 0.206 0.000 1.523 341 M HN 0.121 nan 8.290 nan 0.000 0.467 342 L N 2.829 124.169 121.223 0.195 0.000 2.295 342 L HA 0.539 4.880 4.340 0.002 0.000 0.285 342 L C -1.348 175.637 176.870 0.192 0.000 1.035 342 L CA -0.932 54.014 54.840 0.177 0.000 0.806 342 L CB 1.222 43.337 42.059 0.094 0.000 1.214 342 L HN 0.595 nan 8.230 nan 0.000 0.426 343 L N 5.150 126.487 121.223 0.191 0.000 2.272 343 L HA 0.476 4.817 4.340 0.002 0.000 0.289 343 L C -0.551 176.350 176.870 0.052 0.000 1.032 343 L CA 0.255 55.102 54.840 0.012 0.000 0.810 343 L CB 1.180 43.238 42.059 -0.002 0.000 1.205 343 L HN 0.642 nan 8.230 nan 0.000 0.422 344 E N 6.464 126.607 120.200 -0.095 0.000 2.158 344 E HA 0.428 4.779 4.350 0.002 0.000 0.271 344 E C -1.624 174.902 176.600 -0.124 0.000 0.911 344 E CA -0.453 55.902 56.400 -0.075 0.000 0.767 344 E CB 1.216 30.865 29.700 -0.084 0.000 1.120 344 E HN 0.735 nan 8.360 nan 0.000 0.405 345 I N 2.476 122.979 120.570 -0.113 0.000 2.512 345 I HA 0.271 4.442 4.170 0.002 0.000 0.287 345 I C 0.761 176.666 176.117 -0.353 0.000 1.069 345 I CA -0.681 60.438 61.300 -0.303 0.000 1.056 345 I CB 2.050 39.818 38.000 -0.386 0.000 1.229 345 I HN 0.777 nan 8.210 nan 0.000 0.429 346 G N 4.174 112.799 108.800 -0.292 0.000 2.341 346 G HA2 -0.112 3.849 3.960 0.002 0.000 0.292 346 G HA3 -0.112 3.849 3.960 0.002 0.000 0.292 346 G C 1.037 175.995 174.900 0.096 0.000 1.021 346 G CA 0.808 45.906 45.100 -0.002 0.000 0.905 346 G HN 1.592 nan 8.290 nan 0.000 0.508 347 G N -2.023 106.781 108.800 0.007 0.000 2.225 347 G HA2 -0.250 3.711 3.960 0.002 0.000 0.254 347 G HA3 -0.250 3.711 3.960 0.002 0.000 0.254 347 G C 0.526 175.365 174.900 -0.101 0.000 0.988 347 G CA 0.516 45.618 45.100 0.003 0.000 0.625 347 G HN 1.280 nan 8.290 nan 0.000 0.527 348 L N 0.728 121.827 121.223 -0.207 0.000 2.375 348 L HA 0.600 4.941 4.340 0.002 0.000 0.271 348 L C 0.321 176.917 176.870 -0.456 0.000 1.107 348 L CA -0.384 54.201 54.840 -0.425 0.000 0.806 348 L CB 1.135 42.834 42.059 -0.600 0.000 1.146 348 L HN 0.192 nan 8.230 nan 0.000 0.447 349 E N 2.332 122.183 120.200 -0.582 0.000 2.199 349 E HA 0.379 4.730 4.350 0.002 0.000 0.265 349 E C -1.528 174.701 176.600 -0.618 0.000 0.882 349 E CA -0.443 55.699 56.400 -0.430 0.000 0.759 349 E CB 1.834 31.405 29.700 -0.215 0.000 1.148 349 E HN 0.264 nan 8.360 nan 0.000 0.412 350 F N 2.007 121.923 119.950 -0.057 0.000 2.307 350 F HA 0.104 4.632 4.527 0.002 0.000 0.369 350 F C 1.527 177.357 175.800 0.051 0.000 1.076 350 F CA -0.534 57.458 58.000 -0.014 0.000 1.149 350 F CB 1.068 40.043 39.000 -0.042 0.000 1.410 350 F HN 0.433 nan 8.300 nan 0.000 0.481 351 S N 1.278 117.073 115.700 0.158 0.000 2.442 351 S HA 0.062 4.533 4.470 0.002 0.000 0.236 351 S C 0.876 175.601 174.600 0.207 0.000 1.007 351 S CA 0.537 58.831 58.200 0.156 0.000 0.965 351 S CB -0.046 63.230 63.200 0.127 0.000 0.773 351 S HN 0.501 nan 8.310 nan 0.000 0.504 352 A N 0.408 123.394 122.820 0.277 0.000 2.466 352 A HA 0.819 5.140 4.320 0.002 0.000 0.291 352 A C -0.220 177.607 177.584 0.405 0.000 1.234 352 A CA -0.159 52.070 52.037 0.320 0.000 0.752 352 A CB 0.926 20.104 19.000 0.297 0.000 1.153 352 A HN 0.995 nan 8.150 nan 0.000 0.458 353 A N 4.189 127.193 122.820 0.306 0.000 3.307 353 A HA 0.651 4.972 4.320 0.002 0.000 0.289 353 A C -3.023 174.695 177.584 0.223 0.000 1.138 353 A CA -1.009 51.169 52.037 0.235 0.000 0.860 353 A CB 0.506 19.644 19.000 0.231 0.000 1.318 353 A HN 0.503 nan 8.150 nan 0.000 0.551 354 P HA 0.425 nan 4.420 nan 0.000 0.271 354 P C -0.785 176.527 177.300 0.020 0.000 1.216 354 P CA 0.364 63.426 63.100 -0.063 0.000 0.771 354 P CB 0.355 31.983 31.700 -0.122 0.000 0.864 355 F N 0.097 120.002 119.950 -0.076 0.000 2.577 355 F HA 0.803 5.331 4.527 0.002 0.000 0.318 355 F C -0.628 175.100 175.800 -0.121 0.000 1.065 355 F CA -1.264 56.689 58.000 -0.079 0.000 0.929 355 F CB 1.657 40.484 39.000 -0.288 0.000 1.237 355 F HN 0.421 nan 8.300 nan 0.000 0.468 356 S N 0.142 115.955 115.700 0.189 0.000 2.550 356 S HA 0.909 5.380 4.470 0.002 0.000 0.270 356 S C -0.764 173.821 174.600 -0.025 0.000 1.145 356 S CA -0.167 58.074 58.200 0.068 0.000 0.852 356 S CB 1.410 64.705 63.200 0.159 0.000 1.119 356 S HN 1.480 nan 8.310 nan 0.000 0.465 357 G N 0.159 108.898 108.800 -0.101 0.000 3.324 357 G HA2 0.732 4.693 3.960 0.002 0.000 0.188 357 G HA3 0.732 4.693 3.960 0.002 0.000 0.188 357 G C -1.386 173.549 174.900 0.058 0.000 1.384 357 G CA -0.170 44.808 45.100 -0.204 0.000 0.841 357 G HN 1.197 nan 8.290 nan 0.000 0.758 358 W N -1.520 119.792 121.300 0.020 0.000 3.075 358 W HA 0.807 5.468 4.660 0.002 0.000 0.334 358 W C -1.761 174.767 176.519 0.016 0.000 1.243 358 W CA -2.100 55.268 57.345 0.039 0.000 1.170 358 W CB 0.415 29.939 29.460 0.107 0.000 1.452 358 W HN 0.373 nan 8.180 nan 0.000 0.572 359 Y N 2.540 123.029 120.300 0.315 0.000 2.326 359 Y HA 0.338 4.889 4.550 0.002 0.000 0.333 359 Y C 0.810 176.777 175.900 0.112 0.000 1.240 359 Y CA -0.759 57.410 58.100 0.115 0.000 1.365 359 Y CB 1.203 39.636 38.460 -0.046 0.000 1.289 359 Y HN 0.461 nan 8.280 nan 0.000 0.548 360 M N 1.941 121.694 119.600 0.254 0.000 2.180 360 M HA 0.210 4.691 4.480 0.002 0.000 0.350 360 M C 1.035 177.332 176.300 -0.006 0.000 1.125 360 M CA -0.284 55.094 55.300 0.130 0.000 1.031 360 M CB 1.163 33.817 32.600 0.090 0.000 1.623 360 M HN 0.831 nan 8.290 nan 0.000 0.451 361 S N 1.438 117.096 115.700 -0.070 0.000 2.407 361 S HA -0.208 4.263 4.470 0.002 0.000 0.235 361 S C 1.462 175.916 174.600 -0.243 0.000 1.036 361 S CA 2.242 60.320 58.200 -0.203 0.000 1.013 361 S CB -1.393 61.726 63.200 -0.135 0.000 0.820 361 S HN 0.930 nan 8.310 nan 0.000 0.476 362 T N -0.227 114.210 114.554 -0.196 0.000 2.962 362 T HA 0.013 4.364 4.350 0.002 0.000 0.270 362 T C 1.523 176.054 174.700 -0.282 0.000 1.088 362 T CA 1.149 63.082 62.100 -0.278 0.000 1.127 362 T CB -0.554 68.103 68.868 -0.352 0.000 0.883 362 T HN 0.618 nan 8.240 nan 0.000 0.493 363 E N 0.777 120.827 120.200 -0.250 0.000 2.110 363 E HA -0.012 4.339 4.350 0.002 0.000 0.193 363 E C 1.951 178.257 176.600 -0.490 0.000 0.988 363 E CA 1.202 57.450 56.400 -0.254 0.000 0.804 363 E CB -0.225 29.447 29.700 -0.046 0.000 0.745 363 E HN 0.608 nan 8.360 nan 0.000 0.458 364 I N -0.035 120.121 120.570 -0.691 0.000 2.364 364 I HA -0.023 4.148 4.170 0.002 0.000 0.241 364 I C 2.587 178.342 176.117 -0.603 0.000 1.082 364 I CA 0.775 61.505 61.300 -0.949 0.000 1.401 364 I CB -0.560 36.794 38.000 -1.077 0.000 1.126 364 I HN 0.088 nan 8.210 nan 0.000 0.429 365 G N 0.386 108.935 108.800 -0.418 0.000 2.442 365 G HA2 -0.191 3.770 3.960 0.002 0.000 0.219 365 G HA3 -0.191 3.770 3.960 0.002 0.000 0.219 365 G C 1.613 176.386 174.900 -0.212 0.000 1.141 365 G CA 1.672 46.620 45.100 -0.255 0.000 0.763 365 G HN 0.303 nan 8.290 nan 0.000 0.554 366 T N -0.201 114.204 114.554 -0.249 0.000 2.980 366 T HA 0.106 4.457 4.350 0.002 0.000 0.239 366 T C 2.538 177.118 174.700 -0.201 0.000 1.011 366 T CA 0.294 62.270 62.100 -0.207 0.000 1.171 366 T CB 0.075 68.804 68.868 -0.232 0.000 0.873 366 T HN 0.014 nan 8.240 nan 0.000 0.431 367 R N 1.975 122.333 120.500 -0.237 0.000 2.056 367 R HA 0.155 4.496 4.340 0.002 0.000 0.227 367 R C 2.208 178.373 176.300 -0.226 0.000 1.149 367 R CA 1.066 57.038 56.100 -0.214 0.000 0.937 367 R CB -1.238 28.941 30.300 -0.202 0.000 0.835 367 R HN 0.310 nan 8.270 nan 0.000 0.430 368 N N 1.050 119.553 118.700 -0.329 0.000 2.104 368 N HA -0.105 4.636 4.740 0.002 0.000 0.190 368 N C 1.971 177.335 175.510 -0.243 0.000 1.024 368 N CA 1.151 53.980 53.050 -0.368 0.000 0.853 368 N CB -0.265 37.651 38.487 -0.951 0.000 1.008 368 N HN 0.187 nan 8.380 nan 0.000 0.424 369 L N -0.864 120.183 121.223 -0.293 0.000 2.249 369 L HA 0.069 4.410 4.340 0.002 0.000 0.207 369 L C 1.529 178.406 176.870 0.011 0.000 1.090 369 L CA 0.422 55.201 54.840 -0.102 0.000 0.802 369 L CB 0.139 42.127 42.059 -0.118 0.000 0.947 369 L HN 0.163 nan 8.230 nan 0.000 0.453 370 C N -1.489 117.782 119.300 -0.048 0.000 2.865 370 C HA 0.152 4.613 4.460 0.002 0.000 0.280 370 C C 0.748 175.720 174.990 -0.030 0.000 1.255 370 C CA -0.901 58.107 59.018 -0.017 0.000 1.705 370 C CB -0.357 27.360 27.740 -0.039 0.000 2.080 370 C HN 0.305 nan 8.230 nan 0.000 0.591 371 D N 2.783 123.134 120.400 -0.082 0.000 2.472 371 D HA 0.032 4.673 4.640 0.002 0.000 0.237 371 D C -1.015 175.258 176.300 -0.045 0.000 1.141 371 D CA -1.251 52.683 54.000 -0.110 0.000 0.875 371 D CB 0.639 41.240 40.800 -0.331 0.000 1.192 371 D HN 0.201 nan 8.370 nan 0.000 0.450 372 P HA -0.169 nan 4.420 nan 0.000 0.217 372 P C 0.735 178.118 177.300 0.138 0.000 1.150 372 P CA 1.408 64.579 63.100 0.118 0.000 0.832 372 P CB -0.029 31.760 31.700 0.148 0.000 0.787 373 H N -2.025 117.059 119.070 0.023 0.000 2.538 373 H HA 0.348 4.905 4.556 0.002 0.000 0.286 373 H C 0.907 176.255 175.328 0.034 0.000 1.035 373 H CA -0.242 55.819 56.048 0.022 0.000 1.169 373 H CB -0.164 29.609 29.762 0.019 0.000 1.417 373 H HN -0.010 nan 8.280 nan 0.000 0.567 374 R N -0.242 120.171 120.500 -0.144 0.000 3.066 374 R HA 0.171 4.512 4.340 0.002 0.000 0.143 374 R C 0.952 177.266 176.300 0.022 0.000 1.187 374 R CA -0.770 55.298 56.100 -0.054 0.000 0.722 374 R CB -0.844 29.424 30.300 -0.053 0.000 1.366 374 R HN 0.084 nan 8.270 nan 0.000 0.421 375 Y N 1.685 121.986 120.300 0.002 0.000 2.574 375 Y HA -0.100 4.451 4.550 0.002 0.000 0.294 375 Y C 0.677 176.595 175.900 0.031 0.000 1.142 375 Y CA 0.896 59.014 58.100 0.030 0.000 1.314 375 Y CB -0.585 37.925 38.460 0.084 0.000 0.991 375 Y HN 0.505 nan 8.280 nan 0.000 0.555 376 N N 0.928 119.713 118.700 0.142 0.000 2.696 376 N HA -0.240 4.501 4.740 0.002 0.000 0.271 376 N C 0.383 175.973 175.510 0.133 0.000 0.997 376 N CA 0.828 53.941 53.050 0.106 0.000 0.801 376 N CB -1.205 37.328 38.487 0.077 0.000 0.913 376 N HN 0.659 nan 8.380 nan 0.000 0.557 377 I N -3.168 117.496 120.570 0.156 0.000 3.883 377 I HA 0.101 4.272 4.170 0.002 0.000 0.326 377 I C 1.509 177.731 176.117 0.175 0.000 1.283 377 I CA -0.444 60.953 61.300 0.162 0.000 1.161 377 I CB -0.054 38.052 38.000 0.177 0.000 1.012 377 I HN 0.107 nan 8.210 nan 0.000 0.421 378 L N 1.823 123.155 121.223 0.182 0.000 1.978 378 L HA -0.261 4.080 4.340 0.002 0.000 0.218 378 L C 2.634 179.723 176.870 0.366 0.000 1.075 378 L CA 2.293 57.279 54.840 0.243 0.000 0.767 378 L CB -0.966 41.205 42.059 0.186 0.000 0.890 378 L HN 0.507 nan 8.230 nan 0.000 0.434 379 E N -1.057 119.358 120.200 0.357 0.000 2.058 379 E HA -0.248 4.103 4.350 0.002 0.000 0.194 379 E C 1.801 178.447 176.600 0.077 0.000 0.997 379 E CA 1.445 57.974 56.400 0.216 0.000 0.801 379 E CB 0.007 29.765 29.700 0.098 0.000 0.746 379 E HN 0.497 nan 8.360 nan 0.000 0.450 380 D N -0.034 120.416 120.400 0.084 0.000 2.106 380 D HA -0.169 4.472 4.640 0.002 0.000 0.191 380 D C 2.067 178.392 176.300 0.041 0.000 0.997 380 D CA 1.412 55.432 54.000 0.035 0.000 0.834 380 D CB -0.333 40.497 40.800 0.049 0.000 0.956 380 D HN 0.132 nan 8.370 nan 0.000 0.448 381 V N 1.429 121.431 119.914 0.146 0.000 2.407 381 V HA -0.227 3.894 4.120 0.002 0.000 0.248 381 V C 2.506 178.714 176.094 0.189 0.000 1.055 381 V CA 1.684 64.135 62.300 0.252 0.000 1.049 381 V CB -0.828 31.227 31.823 0.387 0.000 0.662 381 V HN 0.177 nan 8.190 nan 0.000 0.455 382 A N -0.160 122.766 122.820 0.177 0.000 1.858 382 A HA -0.051 4.271 4.320 0.002 0.000 0.216 382 A C 1.551 179.108 177.584 -0.045 0.000 1.190 382 A CA 1.318 53.439 52.037 0.140 0.000 0.617 382 A CB -0.581 18.540 19.000 0.202 0.000 0.827 382 A HN 0.313 nan 8.150 nan 0.000 0.443 386 D N 2.484 122.799 120.400 -0.141 0.000 2.689 386 D HA -0.159 4.482 4.640 0.002 0.000 0.237 386 D C -1.113 175.150 176.300 -0.061 0.000 1.148 386 D CA 0.838 54.772 54.000 -0.111 0.000 0.656 386 D CB -0.648 40.096 40.800 -0.095 0.000 1.050 386 D HN 0.471 nan 8.370 nan 0.000 0.426 387 L N -0.161 121.030 121.223 -0.054 0.000 2.431 387 L HA 0.349 4.690 4.340 0.002 0.000 0.260 387 L C 1.073 177.888 176.870 -0.092 0.000 1.098 387 L CA -0.815 54.017 54.840 -0.013 0.000 0.800 387 L CB 0.645 42.756 42.059 0.087 0.000 1.210 387 L HN 0.003 nan 8.230 nan 0.000 0.465 388 D N 0.660 121.031 120.400 -0.048 0.000 2.453 388 D HA 0.017 4.658 4.640 0.002 0.000 0.223 388 D C 0.834 176.984 176.300 -0.250 0.000 1.183 388 D CA -0.111 53.830 54.000 -0.098 0.000 0.933 388 D CB 0.861 41.657 40.800 -0.008 0.000 1.038 388 D HN 0.607 nan 8.370 nan 0.000 0.513 389 T N 0.674 114.921 114.554 -0.511 0.000 3.219 389 T HA 0.107 4.458 4.350 0.002 0.000 0.249 389 T C 1.509 175.952 174.700 -0.429 0.000 1.099 389 T CA -0.069 61.427 62.100 -1.007 0.000 0.988 389 T CB 0.090 68.273 68.868 -1.142 0.000 0.999 389 T HN 0.242 nan 8.240 nan 0.000 0.550 390 R N 0.491 120.875 120.500 -0.193 0.000 2.115 390 R HA 0.124 4.465 4.340 0.002 0.000 0.226 390 R C 1.116 177.434 176.300 0.029 0.000 1.100 390 R CA 0.909 56.968 56.100 -0.069 0.000 0.980 390 R CB -0.076 30.195 30.300 -0.047 0.000 0.875 390 R HN 0.381 nan 8.270 nan 0.000 0.445 391 T N -1.457 113.154 114.554 0.095 0.000 2.906 391 T HA 0.136 4.487 4.350 0.002 0.000 0.295 391 T C 1.120 175.996 174.700 0.294 0.000 1.061 391 T CA -0.514 61.682 62.100 0.160 0.000 1.000 391 T CB 1.903 70.831 68.868 0.101 0.000 1.103 391 T HN 0.226 nan 8.240 nan 0.000 0.486 392 T N 0.352 115.034 114.554 0.214 0.000 2.821 392 T HA -0.089 4.262 4.350 0.002 0.000 0.267 392 T C 2.153 176.906 174.700 0.090 0.000 1.046 392 T CA 1.678 63.865 62.100 0.145 0.000 1.139 392 T CB -0.853 68.051 68.868 0.059 0.000 0.871 392 T HN 0.690 nan 8.240 nan 0.000 0.454 393 S N 2.423 118.175 115.700 0.087 0.000 2.493 393 S HA -0.128 4.344 4.470 0.002 0.000 0.243 393 S C 2.146 176.793 174.600 0.078 0.000 0.991 393 S CA 1.117 59.354 58.200 0.061 0.000 0.957 393 S CB -1.038 62.193 63.200 0.051 0.000 0.756 393 S HN 0.795 nan 8.310 nan 0.000 0.521 394 S N 1.607 117.388 115.700 0.137 0.000 2.561 394 S HA 0.221 4.692 4.470 0.002 0.000 0.225 394 S C 0.967 175.651 174.600 0.139 0.000 0.977 394 S CA 0.276 58.566 58.200 0.149 0.000 0.926 394 S CB -0.981 62.342 63.200 0.206 0.000 0.769 394 S HN 0.634 nan 8.310 nan 0.000 0.533 395 L N 0.751 122.023 121.223 0.081 0.000 3.843 395 L HA -0.184 4.157 4.340 0.002 0.000 0.411 395 L C 1.682 178.557 176.870 0.008 0.000 1.205 395 L CA 0.700 55.528 54.840 -0.020 0.000 0.945 395 L CB -2.481 39.576 42.059 -0.003 0.000 1.929 395 L HN 0.730 nan 8.230 nan 0.000 0.934 396 W N 0.017 121.329 121.300 0.020 0.000 2.363 396 W HA -0.160 4.501 4.660 0.001 0.000 0.296 396 W C 1.763 178.301 176.519 0.032 0.000 1.212 396 W CA 1.391 58.752 57.345 0.026 0.000 1.260 396 W CB -0.752 28.720 29.460 0.021 0.000 1.131 396 W HN 0.273 nan 8.180 nan 0.000 0.530 397 K N 1.079 121.040 120.400 -0.731 0.000 2.026 397 K HA -0.171 4.150 4.320 0.002 0.000 0.208 397 K C 1.548 178.004 176.600 -0.240 0.000 1.048 397 K CA 2.403 58.294 56.287 -0.660 0.000 0.929 397 K CB -0.408 31.521 32.500 -0.951 0.000 0.713 397 K HN 0.049 nan 8.250 nan 0.000 0.439 398 D N 0.638 120.917 120.400 -0.202 0.000 2.117 398 D HA -0.137 4.504 4.640 0.002 0.000 0.197 398 D C 1.679 177.966 176.300 -0.023 0.000 0.987 398 D CA 1.245 55.187 54.000 -0.098 0.000 0.829 398 D CB 0.035 40.787 40.800 -0.079 0.000 0.961 398 D HN 0.132 nan 8.370 nan 0.000 0.460 399 K N 0.384 120.797 120.400 0.021 0.000 2.025 399 K HA -0.006 4.315 4.320 0.002 0.000 0.207 399 K C 2.211 178.873 176.600 0.104 0.000 1.049 399 K CA 1.109 57.440 56.287 0.074 0.000 0.933 399 K CB -0.134 32.433 32.500 0.112 0.000 0.714 399 K HN 0.093 nan 8.250 nan 0.000 0.438 400 A N 1.566 124.470 122.820 0.140 0.000 1.898 400 A HA -0.094 4.227 4.320 0.002 0.000 0.216 400 A C 2.388 180.047 177.584 0.125 0.000 1.181 400 A CA 1.739 53.887 52.037 0.185 0.000 0.620 400 A CB -0.726 18.428 19.000 0.257 0.000 0.819 400 A HN 0.324 nan 8.150 nan 0.000 0.442 401 A N -0.381 122.472 122.820 0.055 0.000 1.892 401 A HA -0.111 4.210 4.320 0.002 0.000 0.218 401 A C 2.245 179.832 177.584 0.004 0.000 1.188 401 A CA 2.108 54.150 52.037 0.008 0.000 0.631 401 A CB -1.116 17.853 19.000 -0.051 0.000 0.822 401 A HN 0.451 nan 8.150 nan 0.000 0.447 402 V N 0.260 120.183 119.914 0.016 0.000 2.343 402 V HA -0.220 3.901 4.120 0.002 0.000 0.247 402 V C 2.558 178.668 176.094 0.027 0.000 1.051 402 V CA 2.164 64.477 62.300 0.022 0.000 1.036 402 V CB -0.750 31.097 31.823 0.039 0.000 0.654 402 V HN 0.535 nan 8.190 nan 0.000 0.451 403 E N -0.056 120.181 120.200 0.062 0.000 2.106 403 E HA -0.117 4.234 4.350 0.002 0.000 0.192 403 E C 2.134 178.713 176.600 -0.034 0.000 0.984 403 E CA 1.154 57.601 56.400 0.078 0.000 0.806 403 E CB -0.282 29.497 29.700 0.131 0.000 0.750 403 E HN 0.590 nan 8.360 nan 0.000 0.458 404 I N 1.236 121.817 120.570 0.018 0.000 2.315 404 I HA -0.270 3.901 4.170 0.002 0.000 0.248 404 I C 1.671 177.749 176.117 -0.065 0.000 1.117 404 I CA 1.025 62.336 61.300 0.018 0.000 1.404 404 I CB -0.293 37.797 38.000 0.149 0.000 1.071 404 I HN 0.039 nan 8.210 nan 0.000 0.419 405 N N 0.552 119.212 118.700 -0.066 0.000 2.270 405 N HA -0.145 4.596 4.740 0.002 0.000 0.181 405 N C 1.670 177.126 175.510 -0.090 0.000 1.016 405 N CA 0.723 53.720 53.050 -0.089 0.000 0.870 405 N CB -0.119 38.323 38.487 -0.076 0.000 0.979 405 N HN 0.153 nan 8.380 nan 0.000 0.431 406 L N 0.665 121.822 121.223 -0.110 0.000 2.056 406 L HA 0.033 4.374 4.340 0.002 0.000 0.207 406 L C 1.998 178.724 176.870 -0.240 0.000 1.078 406 L CA 1.286 56.028 54.840 -0.163 0.000 0.749 406 L CB -0.796 41.135 42.059 -0.215 0.000 0.901 406 L HN 0.142 nan 8.230 nan 0.000 0.433 407 A N -1.080 121.535 122.820 -0.341 0.000 1.883 407 A HA -0.169 4.152 4.320 0.002 0.000 0.217 407 A C 2.254 179.789 177.584 -0.081 0.000 1.186 407 A CA 2.110 53.934 52.037 -0.356 0.000 0.624 407 A CB -1.161 17.423 19.000 -0.694 0.000 0.822 407 A HN 0.289 nan 8.150 nan 0.000 0.444 408 V N 0.058 119.940 119.914 -0.053 0.000 2.255 408 V HA -0.302 3.819 4.120 0.002 0.000 0.247 408 V C 2.597 178.730 176.094 0.063 0.000 1.051 408 V CA 2.158 64.472 62.300 0.023 0.000 1.018 408 V CB -0.879 30.869 31.823 -0.125 0.000 0.641 408 V HN 0.571 nan 8.190 nan 0.000 0.445 409 L N -0.678 120.536 121.223 -0.015 0.000 2.012 409 L HA -0.243 4.098 4.340 0.002 0.000 0.210 409 L C 2.636 179.542 176.870 0.061 0.000 1.073 409 L CA 2.257 57.104 54.840 0.012 0.000 0.748 409 L CB -0.829 41.225 42.059 -0.009 0.000 0.891 409 L HN 0.476 nan 8.230 nan 0.000 0.431 410 H N -0.289 118.743 119.070 -0.062 0.000 2.290 410 H HA -0.169 4.388 4.556 0.002 0.000 0.298 410 H C 2.358 177.680 175.328 -0.009 0.000 1.087 410 H CA 2.081 58.085 56.048 -0.073 0.000 1.291 410 H CB -0.087 29.569 29.762 -0.177 0.000 1.369 410 H HN 0.176 nan 8.280 nan 0.000 0.492 411 S N -0.357 115.312 115.700 -0.052 0.000 2.353 411 S HA -0.162 4.309 4.470 0.002 0.000 0.222 411 S C 2.089 176.660 174.600 -0.047 0.000 1.035 411 S CA 1.442 59.600 58.200 -0.069 0.000 1.025 411 S CB -0.670 62.582 63.200 0.086 0.000 0.902 411 S HN 0.397 nan 8.310 nan 0.000 0.440 412 F N 1.798 121.698 119.950 -0.084 0.000 2.171 412 F HA -0.160 4.368 4.527 0.002 0.000 0.300 412 F C 2.803 178.555 175.800 -0.081 0.000 1.090 412 F CA 1.233 59.203 58.000 -0.049 0.000 1.293 412 F CB -0.287 38.708 39.000 -0.008 0.000 1.013 412 F HN 0.220 nan 8.300 nan 0.000 0.486 413 Q N -0.473 119.361 119.800 0.058 0.000 2.119 413 Q HA -0.198 4.143 4.340 0.002 0.000 0.201 413 Q C 2.128 178.065 176.000 -0.105 0.000 0.972 413 Q CA 1.161 56.948 55.803 -0.027 0.000 0.847 413 Q CB -0.281 28.435 28.738 -0.038 0.000 0.903 413 Q HN 0.354 nan 8.270 nan 0.000 0.433 414 L N 0.346 121.447 121.223 -0.204 0.000 2.027 414 L HA -0.057 4.284 4.340 0.002 0.000 0.206 414 L C 1.917 178.700 176.870 -0.145 0.000 1.074 414 L CA 1.949 56.657 54.840 -0.221 0.000 0.745 414 L CB -0.614 41.236 42.059 -0.348 0.000 0.898 414 L HN 0.104 nan 8.230 nan 0.000 0.433 415 A N -1.280 121.447 122.820 -0.154 0.000 2.239 415 A HA -0.023 4.298 4.320 0.002 0.000 0.209 415 A C 0.757 178.273 177.584 -0.112 0.000 1.171 415 A CA 0.207 52.157 52.037 -0.145 0.000 0.768 415 A CB -0.480 18.390 19.000 -0.216 0.000 0.790 415 A HN 0.435 nan 8.150 nan 0.000 0.478 416 K N -1.178 119.171 120.400 -0.086 0.000 3.096 416 K HA -0.133 4.189 4.320 0.002 0.000 0.266 416 K C -0.640 175.933 176.600 -0.045 0.000 1.043 416 K CA 0.807 57.059 56.287 -0.059 0.000 0.758 416 K CB -2.541 29.925 32.500 -0.056 0.000 1.260 416 K HN 0.300 nan 8.250 nan 0.000 0.481 417 V N 0.906 120.806 119.914 -0.023 0.000 2.555 417 V HA 0.212 4.333 4.120 0.002 0.000 0.302 417 V C 0.792 176.979 176.094 0.155 0.000 1.038 417 V CA -0.737 61.587 62.300 0.040 0.000 0.887 417 V CB 2.110 33.903 31.823 -0.051 0.000 0.991 417 V HN 0.278 nan 8.190 nan 0.000 0.434 418 T N 6.041 120.645 114.554 0.083 0.000 2.934 418 T HA 0.451 4.802 4.350 0.002 0.000 0.306 418 T C -0.258 174.497 174.700 0.091 0.000 1.042 418 T CA 0.841 62.910 62.100 -0.052 0.000 1.145 418 T CB 0.064 68.761 68.868 -0.285 0.000 0.982 418 T HN 0.570 nan 8.240 nan 0.000 0.544 419 I N 2.183 122.736 120.570 -0.028 0.000 2.842 419 I HA 0.571 4.742 4.170 0.002 0.000 0.296 419 I C -1.710 174.428 176.117 0.034 0.000 1.538 419 I CA -0.886 60.446 61.300 0.053 0.000 0.994 419 I CB 1.822 39.789 38.000 -0.055 0.000 1.372 419 I HN 0.456 nan 8.210 nan 0.000 0.478 420 V N 4.874 124.871 119.914 0.139 0.000 2.709 420 V HA 0.515 4.636 4.120 0.002 0.000 0.308 420 V C -1.241 174.909 176.094 0.094 0.000 1.062 420 V CA -0.256 62.127 62.300 0.139 0.000 0.901 420 V CB 2.217 34.211 31.823 0.284 0.000 1.003 420 V HN 0.868 nan 8.190 nan 0.000 0.425 421 D N 3.915 124.350 120.400 0.057 0.000 2.354 421 D HA 0.204 4.845 4.640 0.002 0.000 0.247 421 D C 1.240 177.546 176.300 0.011 0.000 1.138 421 D CA 0.144 54.167 54.000 0.038 0.000 0.958 421 D CB 0.499 41.291 40.800 -0.014 0.000 1.144 421 D HN 0.731 nan 8.370 nan 0.000 0.458 422 H N -0.086 118.901 119.070 -0.138 0.000 2.489 422 H HA -0.131 4.426 4.556 0.002 0.000 0.293 422 H C 0.916 176.138 175.328 -0.176 0.000 1.066 422 H CA 1.294 57.230 56.048 -0.187 0.000 1.305 422 H CB -0.554 29.039 29.762 -0.281 0.000 1.386 422 H HN 0.515 nan 8.280 nan 0.000 0.551 423 H N 1.110 119.976 119.070 -0.340 0.000 2.317 423 H HA 0.187 4.744 4.556 0.002 0.000 0.304 423 H C 2.529 177.827 175.328 -0.050 0.000 1.067 423 H CA 1.323 57.258 56.048 -0.189 0.000 1.352 423 H CB -0.362 29.256 29.762 -0.240 0.000 1.398 423 H HN 0.491 nan 8.280 nan 0.000 0.510 424 A N 1.441 124.311 122.820 0.084 0.000 1.902 424 A HA -0.089 4.232 4.320 0.002 0.000 0.217 424 A C 2.682 180.333 177.584 0.112 0.000 1.181 424 A CA 1.797 53.887 52.037 0.089 0.000 0.623 424 A CB -0.837 18.208 19.000 0.075 0.000 0.818 424 A HN 0.430 nan 8.150 nan 0.000 0.443 425 A N -0.191 122.695 122.820 0.109 0.000 1.877 425 A HA -0.130 4.191 4.320 0.002 0.000 0.216 425 A C 2.448 180.125 177.584 0.155 0.000 1.186 425 A CA 2.640 54.760 52.037 0.139 0.000 0.620 425 A CB -1.428 17.644 19.000 0.120 0.000 0.822 425 A HN 0.788 nan 8.150 nan 0.000 0.443 426 T N -2.928 111.703 114.554 0.127 0.000 2.951 426 T HA -0.031 4.321 4.350 0.002 0.000 0.268 426 T C 1.648 176.472 174.700 0.207 0.000 1.073 426 T CA 1.256 63.456 62.100 0.167 0.000 1.134 426 T CB -0.527 68.408 68.868 0.111 0.000 0.884 426 T HN 0.051 nan 8.240 nan 0.000 0.479 427 V N 2.798 122.809 119.914 0.161 0.000 2.358 427 V HA -0.154 3.967 4.120 0.002 0.000 0.246 427 V C 3.210 179.391 176.094 0.145 0.000 1.047 427 V CA 1.992 64.377 62.300 0.141 0.000 1.035 427 V CB -0.887 31.001 31.823 0.108 0.000 0.658 427 V HN 0.787 nan 8.190 nan 0.000 0.452 428 S N -0.106 115.690 115.700 0.160 0.000 2.382 428 S HA -0.226 4.245 4.470 0.002 0.000 0.228 428 S C 1.976 176.692 174.600 0.192 0.000 1.027 428 S CA 1.530 59.825 58.200 0.158 0.000 0.991 428 S CB -0.746 62.554 63.200 0.167 0.000 0.823 428 S HN 0.494 nan 8.310 nan 0.000 0.469 429 F N 2.108 122.117 119.950 0.098 0.000 2.186 429 F HA 0.103 4.631 4.527 0.002 0.000 0.299 429 F C 2.264 178.148 175.800 0.140 0.000 1.090 429 F CA 1.124 59.194 58.000 0.117 0.000 1.307 429 F CB -0.330 38.719 39.000 0.081 0.000 1.019 429 F HN 0.105 nan 8.300 nan 0.000 0.489 430 M N 0.203 119.868 119.600 0.109 0.000 2.159 430 M HA -0.191 4.290 4.480 0.002 0.000 0.263 430 M C 2.044 178.316 176.300 -0.047 0.000 1.063 430 M CA 1.536 56.849 55.300 0.023 0.000 1.110 430 M CB -1.170 31.491 32.600 0.101 0.000 1.374 430 M HN 0.125 nan 8.290 nan 0.000 0.411 431 K N -1.158 119.243 120.400 0.002 0.000 2.057 431 K HA -0.208 4.113 4.320 0.002 0.000 0.207 431 K C 2.016 178.592 176.600 -0.041 0.000 1.049 431 K CA 1.515 57.801 56.287 -0.001 0.000 0.931 431 K CB -0.430 32.094 32.500 0.041 0.000 0.714 431 K HN 0.316 nan 8.250 nan 0.000 0.440 432 H N 1.172 120.144 119.070 -0.163 0.000 2.352 432 H HA -0.055 4.502 4.556 0.002 0.000 0.299 432 H C 1.799 176.953 175.328 -0.290 0.000 1.097 432 H CA 1.518 57.441 56.048 -0.208 0.000 1.311 432 H CB -0.180 29.422 29.762 -0.267 0.000 1.377 432 H HN 0.046 nan 8.280 nan 0.000 0.504 433 L N -0.300 120.631 121.223 -0.486 0.000 2.042 433 L HA -0.174 4.168 4.340 0.002 0.000 0.210 433 L C 2.276 178.988 176.870 -0.263 0.000 1.076 433 L CA 1.867 56.450 54.840 -0.428 0.000 0.749 433 L CB -0.433 41.432 42.059 -0.323 0.000 0.893 433 L HN 0.398 nan 8.230 nan 0.000 0.432 434 D N -0.238 120.053 120.400 -0.182 0.000 2.117 434 D HA -0.173 4.468 4.640 0.002 0.000 0.198 434 D C 1.931 178.159 176.300 -0.120 0.000 0.982 434 D CA 1.027 54.959 54.000 -0.113 0.000 0.828 434 D CB 0.114 40.875 40.800 -0.066 0.000 0.967 434 D HN 0.141 nan 8.370 nan 0.000 0.464 435 N N 0.509 119.124 118.700 -0.142 0.000 2.120 435 N HA -0.129 4.612 4.740 0.002 0.000 0.188 435 N C 1.546 176.970 175.510 -0.144 0.000 1.024 435 N CA 0.808 53.793 53.050 -0.109 0.000 0.852 435 N CB -0.220 38.227 38.487 -0.065 0.000 1.003 435 N HN 0.331 nan 8.380 nan 0.000 0.424 436 E N 0.564 120.596 120.200 -0.279 0.000 2.208 436 E HA -0.124 4.227 4.350 0.002 0.000 0.193 436 E C 1.841 178.351 176.600 -0.150 0.000 0.988 436 E CA 0.439 56.681 56.400 -0.263 0.000 0.828 436 E CB -0.044 29.395 29.700 -0.436 0.000 0.763 436 E HN 0.321 nan 8.360 nan 0.000 0.478 437 Q N 1.546 121.268 119.800 -0.130 0.000 2.050 437 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 437 Q C 1.762 177.729 176.000 -0.056 0.000 0.980 437 Q CA 1.735 57.494 55.803 -0.074 0.000 0.840 437 Q CB 0.040 28.740 28.738 -0.062 0.000 0.898 437 Q HN 0.133 nan 8.270 nan 0.000 0.424 438 K N -0.721 119.646 120.400 -0.056 0.000 2.103 438 K HA 0.019 4.340 4.320 0.002 0.000 0.204 438 K C 2.038 178.618 176.600 -0.033 0.000 1.052 438 K CA 1.044 57.308 56.287 -0.039 0.000 0.945 438 K CB -0.179 32.301 32.500 -0.033 0.000 0.722 438 K HN 0.224 nan 8.250 nan 0.000 0.443 439 A N 1.407 124.206 122.820 -0.036 0.000 1.872 439 A HA -0.052 4.269 4.320 0.002 0.000 0.214 439 A C 1.801 179.371 177.584 -0.022 0.000 1.187 439 A CA 1.128 53.155 52.037 -0.017 0.000 0.614 439 A CB -0.024 18.978 19.000 0.004 0.000 0.826 439 A HN 0.158 nan 8.150 nan 0.000 0.442 440 R N -2.412 118.064 120.500 -0.040 0.000 2.531 440 R HA 0.273 4.614 4.340 0.002 0.000 0.316 440 R C 0.819 177.104 176.300 -0.025 0.000 0.955 440 R CA 0.486 56.568 56.100 -0.031 0.000 1.120 440 R CB 0.679 30.956 30.300 -0.039 0.000 1.361 440 R HN 0.679 nan 8.270 nan 0.000 0.534 441 G N 0.852 109.633 108.800 -0.033 0.000 2.147 441 G HA2 -0.205 3.756 3.960 0.002 0.000 0.244 441 G HA3 -0.205 3.756 3.960 0.002 0.000 0.244 441 G C 0.216 175.118 174.900 0.004 0.000 1.005 441 G CA 0.097 45.180 45.100 -0.028 0.000 0.713 441 G HN 0.718 nan 8.290 nan 0.000 0.515 442 G N -2.480 106.325 108.800 0.008 0.000 2.321 442 G HA2 0.545 4.506 3.960 0.002 0.000 0.298 442 G HA3 0.545 4.506 3.960 0.002 0.000 0.298 442 G C -0.906 174.016 174.900 0.036 0.000 1.385 442 G CA 0.338 45.474 45.100 0.060 0.000 0.856 442 G HN 1.886 nan 8.290 nan 0.000 0.584 443 C N 2.096 121.438 119.300 0.070 0.000 2.833 443 C HA 0.703 5.164 4.460 0.002 0.000 0.383 443 C C -2.548 172.418 174.990 -0.040 0.000 1.058 443 C CA -1.159 57.850 59.018 -0.015 0.000 1.259 443 C CB 1.221 28.898 27.740 -0.105 0.000 1.726 443 C HN 0.702 nan 8.230 nan 0.000 0.484 444 P HA 0.416 nan 4.420 nan 0.000 0.271 444 P C -0.667 176.524 177.300 -0.181 0.000 1.226 444 P CA 0.534 63.264 63.100 -0.616 0.000 0.765 444 P CB 1.152 32.207 31.700 -1.074 0.000 0.835 445 A N 2.651 125.432 122.820 -0.065 0.000 2.520 445 A HA 0.420 4.741 4.320 0.002 0.000 0.298 445 A C -1.059 176.569 177.584 0.074 0.000 1.051 445 A CA -0.558 51.526 52.037 0.078 0.000 0.690 445 A CB 1.345 20.509 19.000 0.273 0.000 1.281 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 1.936 122.369 120.400 0.055 0.000 2.467 446 D HA 0.132 4.774 4.640 0.002 0.000 0.220 446 D C 0.818 177.244 176.300 0.211 0.000 1.103 446 D CA -0.498 53.569 54.000 0.111 0.000 0.886 446 D CB 0.340 41.142 40.800 0.004 0.000 1.025 446 D HN 0.600 nan 8.370 nan 0.000 0.514 447 W N 4.225 125.562 121.300 0.060 0.000 2.290 447 W HA -0.340 4.321 4.660 0.002 0.000 0.318 447 W C 1.951 178.505 176.519 0.058 0.000 1.248 447 W CA 2.534 59.904 57.345 0.040 0.000 1.263 447 W CB 0.012 29.472 29.460 0.001 0.000 1.147 447 W HN 0.560 nan 8.180 nan 0.000 0.494 448 A N -1.440 121.656 122.820 0.460 0.000 2.019 448 A HA -0.191 4.130 4.320 0.002 0.000 0.219 448 A C 1.468 179.120 177.584 0.113 0.000 1.164 448 A CA 1.625 53.851 52.037 0.316 0.000 0.644 448 A CB -1.234 17.984 19.000 0.363 0.000 0.805 448 A HN 0.531 nan 8.150 nan 0.000 0.449 449 W N -0.875 120.396 121.300 -0.048 0.000 2.704 449 W HA 0.197 4.858 4.660 0.002 0.000 0.266 449 W C 1.845 178.251 176.519 -0.188 0.000 1.266 449 W CA -0.137 57.156 57.345 -0.088 0.000 1.377 449 W CB -0.088 29.345 29.460 -0.044 0.000 1.082 449 W HN 0.131 nan 8.180 nan 0.000 0.608 450 I N -0.109 120.424 120.570 -0.062 0.000 2.286 450 I HA -0.081 4.090 4.170 0.002 0.000 0.245 450 I C 0.702 176.621 176.117 -0.329 0.000 1.104 450 I CA 0.817 61.945 61.300 -0.287 0.000 1.397 450 I CB -1.525 36.234 38.000 -0.403 0.000 1.072 450 I HN -0.407 nan 8.210 nan 0.000 0.417 451 V N 3.739 123.379 119.914 -0.457 0.000 2.521 451 V HA 0.090 4.211 4.120 0.002 0.000 0.286 451 V C -1.922 174.002 176.094 -0.283 0.000 1.034 451 V CA -1.087 60.935 62.300 -0.463 0.000 1.045 451 V CB 0.220 31.535 31.823 -0.846 0.000 0.974 451 V HN 0.125 nan 8.190 nan 0.000 0.480 452 P HA 0.104 nan 4.420 nan 0.000 0.267 452 P C -1.786 175.391 177.300 -0.206 0.000 1.200 452 P CA -1.031 61.952 63.100 -0.195 0.000 0.772 452 P CB 0.058 31.656 31.700 -0.170 0.000 0.855 453 P HA -0.025 nan 4.420 nan 0.000 0.230 453 P C 0.159 177.348 177.300 -0.184 0.000 1.158 453 P CA 1.163 64.144 63.100 -0.198 0.000 0.769 453 P CB -0.012 31.562 31.700 -0.210 0.000 0.807 454 I N -6.912 113.518 120.570 -0.234 0.000 2.865 454 I HA 0.459 4.630 4.170 0.002 0.000 0.302 454 I C -0.102 175.918 176.117 -0.160 0.000 1.140 454 I CA -1.268 59.914 61.300 -0.197 0.000 1.021 454 I CB 1.957 39.816 38.000 -0.235 0.000 1.233 454 I HN -0.408 nan 8.210 nan 0.000 0.427 455 S N 2.058 117.710 115.700 -0.080 0.000 3.581 455 S HA -0.197 4.274 4.470 0.002 0.000 0.354 455 S C 1.353 175.929 174.600 -0.039 0.000 1.059 455 S CA 0.789 58.980 58.200 -0.015 0.000 1.060 455 S CB -1.755 61.514 63.200 0.116 0.000 0.908 455 S HN 1.282 nan 8.310 nan 0.000 0.475 456 G N 2.451 111.198 108.800 -0.088 0.000 2.631 456 G HA2 -0.329 3.632 3.960 0.002 0.000 0.219 456 G HA3 -0.329 3.632 3.960 0.002 0.000 0.219 456 G C 1.468 176.232 174.900 -0.228 0.000 1.214 456 G CA 1.559 46.612 45.100 -0.078 0.000 0.785 456 G HN 1.311 nan 8.290 nan 0.000 0.596 457 S N 0.360 115.637 115.700 -0.705 0.000 2.547 457 S HA 0.153 4.624 4.470 0.002 0.000 0.235 457 S C 2.047 176.542 174.600 -0.174 0.000 0.980 457 S CA 0.619 58.234 58.200 -0.975 0.000 0.941 457 S CB -0.210 62.248 63.200 -1.236 0.000 0.763 457 S HN 0.321 nan 8.310 nan 0.000 0.532 458 L N 1.990 123.183 121.223 -0.051 0.000 2.599 458 L HA 0.144 4.486 4.340 0.002 0.000 0.230 458 L C 1.198 178.180 176.870 0.186 0.000 1.141 458 L CA 0.442 55.340 54.840 0.098 0.000 0.877 458 L CB -0.951 41.192 42.059 0.141 0.000 1.009 458 L HN 0.500 nan 8.230 nan 0.000 0.447 459 T N -4.615 110.039 114.554 0.167 0.000 2.918 459 T HA 0.339 4.690 4.350 0.002 0.000 0.286 459 T C -1.730 173.123 174.700 0.254 0.000 1.026 459 T CA -1.977 60.245 62.100 0.202 0.000 1.031 459 T CB 2.119 71.066 68.868 0.131 0.000 1.046 459 T HN -0.224 nan 8.240 nan 0.000 0.479 460 P HA -0.098 nan 4.420 nan 0.000 0.218 460 P C 1.831 179.319 177.300 0.314 0.000 1.149 460 P CA 1.212 64.498 63.100 0.310 0.000 0.817 460 P CB -0.364 31.469 31.700 0.221 0.000 0.785 461 V N -3.574 116.474 119.914 0.223 0.000 2.594 461 V HA -0.202 3.919 4.120 0.002 0.000 0.253 461 V C 2.412 178.585 176.094 0.130 0.000 1.069 461 V CA 1.268 63.672 62.300 0.173 0.000 1.082 461 V CB -2.281 29.579 31.823 0.061 0.000 0.680 461 V HN -0.114 nan 8.190 nan 0.000 0.469 462 F N 1.825 121.729 119.950 -0.078 0.000 2.126 462 F HA -0.173 4.355 4.527 0.001 0.000 0.299 462 F C 2.458 178.360 175.800 0.170 0.000 1.096 462 F CA 2.234 60.184 58.000 -0.082 0.000 1.255 462 F CB -0.247 38.566 39.000 -0.312 0.000 0.997 462 F HN 0.277 nan 8.300 nan 0.000 0.479 463 H N -0.894 118.515 119.070 0.566 0.000 2.533 463 H HA 0.111 4.668 4.556 0.002 0.000 0.271 463 H C 0.199 175.779 175.328 0.420 0.000 1.000 463 H CA 0.201 56.537 56.048 0.480 0.000 1.149 463 H CB -0.251 29.770 29.762 0.431 0.000 1.375 463 H HN 0.261 nan 8.280 nan 0.000 0.582 464 Q N 1.923 122.000 119.800 0.463 0.000 2.325 464 Q HA 0.172 4.513 4.340 0.002 0.000 0.262 464 Q C -0.561 175.675 176.000 0.394 0.000 0.968 464 Q CA -0.450 55.580 55.803 0.378 0.000 0.877 464 Q CB 0.904 29.829 28.738 0.312 0.000 1.253 464 Q HN 0.241 nan 8.270 nan 0.000 0.448 465 E N 3.396 123.776 120.200 0.299 0.000 2.390 465 E HA 0.322 4.673 4.350 0.002 0.000 0.261 465 E C -0.474 176.260 176.600 0.223 0.000 1.076 465 E CA 0.184 56.714 56.400 0.217 0.000 0.905 465 E CB 0.873 30.681 29.700 0.180 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.196 120.922 119.600 0.211 0.000 2.550 466 M HA 0.383 4.864 4.480 0.002 0.000 0.292 466 M C -1.218 175.184 176.300 0.170 0.000 1.221 466 M CA -1.010 54.421 55.300 0.218 0.000 0.873 466 M CB 2.383 35.163 32.600 0.300 0.000 1.727 466 M HN 0.145 nan 8.290 nan 0.000 0.459 467 V N 1.809 121.831 119.914 0.180 0.000 2.459 467 V HA 0.482 4.603 4.120 0.002 0.000 0.295 467 V C -0.708 175.488 176.094 0.170 0.000 1.029 467 V CA -0.685 61.748 62.300 0.222 0.000 0.874 467 V CB 1.716 33.735 31.823 0.328 0.000 0.985 467 V HN 0.813 nan 8.190 nan 0.000 0.438 468 N N 3.700 122.496 118.700 0.161 0.000 2.372 468 N HA 0.694 5.435 4.740 0.002 0.000 0.291 468 N C -1.222 174.372 175.510 0.140 0.000 1.024 468 N CA -0.414 52.646 53.050 0.015 0.000 0.873 468 N CB 1.431 39.938 38.487 0.033 0.000 1.206 468 N HN 0.661 nan 8.380 nan 0.000 0.486 469 Y N 0.074 120.392 120.300 0.030 0.000 2.713 469 Y HA 0.537 5.088 4.550 0.002 0.000 0.335 469 Y C -1.198 174.707 175.900 0.007 0.000 1.222 469 Y CA -1.238 56.874 58.100 0.019 0.000 1.061 469 Y CB 0.773 39.248 38.460 0.026 0.000 1.314 469 Y HN 0.208 nan 8.280 nan 0.000 0.453 470 I N 3.420 124.101 120.570 0.186 0.000 2.321 470 I HA 0.424 4.595 4.170 0.002 0.000 0.291 470 I C -0.692 175.503 176.117 0.130 0.000 0.998 470 I CA -0.447 60.906 61.300 0.087 0.000 1.227 470 I CB 0.990 39.021 38.000 0.051 0.000 1.368 470 I HN 0.418 nan 8.210 nan 0.000 0.466 471 L N 4.833 126.103 121.223 0.078 0.000 2.322 471 L HA 0.599 4.940 4.340 0.002 0.000 0.269 471 L C -0.029 176.853 176.870 0.019 0.000 1.012 471 L CA -0.576 54.312 54.840 0.079 0.000 0.815 471 L CB 2.084 44.191 42.059 0.080 0.000 1.295 471 L HN 0.513 nan 8.230 nan 0.000 0.438 472 S N 0.959 116.678 115.700 0.032 0.000 2.526 472 S HA 0.632 5.103 4.470 0.002 0.000 0.293 472 S C -2.608 172.022 174.600 0.048 0.000 1.092 472 S CA -1.397 56.810 58.200 0.012 0.000 0.980 472 S CB 1.887 65.106 63.200 0.031 0.000 1.048 472 S HN 0.241 nan 8.310 nan 0.000 0.483 473 P HA 0.354 nan 4.420 nan 0.000 0.267 473 P C -1.337 175.861 177.300 -0.170 0.000 1.201 473 P CA 0.066 63.102 63.100 -0.107 0.000 0.775 473 P CB 0.439 32.049 31.700 -0.151 0.000 0.854 474 A N 1.866 124.543 122.820 -0.238 0.000 2.594 474 A HA 0.658 4.980 4.320 0.002 0.000 0.295 474 A C -1.519 175.869 177.584 -0.327 0.000 1.071 474 A CA -0.527 51.370 52.037 -0.234 0.000 0.685 474 A CB 0.801 19.735 19.000 -0.110 0.000 1.285 474 A HN 0.341 nan 8.150 nan 0.000 0.405 475 F N 1.059 120.935 119.950 -0.124 0.000 2.408 475 F HA 0.674 5.202 4.527 0.002 0.000 0.344 475 F C 0.989 176.678 175.800 -0.184 0.000 1.112 475 F CA 0.261 58.182 58.000 -0.131 0.000 1.096 475 F CB 1.665 40.557 39.000 -0.179 0.000 1.129 475 F HN 0.568 nan 8.300 nan 0.000 0.486 476 R N 1.633 122.144 120.500 0.019 0.000 2.837 476 R HA 0.457 4.798 4.340 0.002 0.000 0.271 476 R C -1.553 174.691 176.300 -0.092 0.000 0.993 476 R CA -1.170 54.868 56.100 -0.103 0.000 0.931 476 R CB 1.784 32.066 30.300 -0.030 0.000 1.206 476 R HN 0.417 nan 8.270 nan 0.000 0.474 477 Y N 1.257 121.579 120.300 0.038 0.000 2.300 477 Y HA 0.184 4.735 4.550 0.002 0.000 0.328 477 Y C 0.552 176.452 175.900 0.000 0.000 1.270 477 Y CA -0.012 58.100 58.100 0.020 0.000 1.352 477 Y CB 0.889 39.349 38.460 0.000 0.000 1.286 477 Y HN 0.425 nan 8.280 nan 0.000 0.536 478 Q N 1.148 121.043 119.800 0.158 0.000 2.456 478 Q HA 0.620 4.961 4.340 0.002 0.000 0.284 478 Q C -3.143 172.834 176.000 -0.039 0.000 1.061 478 Q CA -2.486 53.343 55.803 0.043 0.000 0.799 478 Q CB 2.048 30.803 28.738 0.028 0.000 1.445 478 Q HN 0.277 nan 8.270 nan 0.000 0.411 479 P HA 0.055 nan 4.420 nan 0.000 0.268 479 P C -1.016 176.087 177.300 -0.329 0.000 1.208 479 P CA 0.061 63.044 63.100 -0.195 0.000 0.777 479 P CB 0.356 31.955 31.700 -0.169 0.000 0.875 480 D N 3.198 123.272 120.400 -0.543 0.000 2.390 480 D HA 0.026 4.667 4.640 0.002 0.000 0.249 480 D C -1.090 174.630 176.300 -0.967 0.000 1.144 480 D CA -1.276 52.124 54.000 -1.001 0.000 0.880 480 D CB 0.221 40.020 40.800 -1.667 0.000 1.182 480 D HN 0.293 nan 8.370 nan 0.000 0.451 481 P HA -0.059 nan 4.420 nan 0.000 0.236 481 P C -0.270 176.753 177.300 -0.462 0.000 1.172 481 P CA 0.581 63.349 63.100 -0.552 0.000 0.759 481 P CB -0.108 31.325 31.700 -0.446 0.000 0.843 482 W N 0.000 120.952 121.300 -0.581 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.129 57.345 -0.361 0.000 1.226 482 W CB 0.000 29.150 29.460 -0.517 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535