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 1fop_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 EDVAVCMDLD 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 0.000 176.379 176.600 -0.368 0.000 0.988 69 K CA 0.000 56.060 56.287 -0.378 0.000 0.838 69 K CB 0.000 32.098 32.500 -0.670 0.000 1.064 70 F N 5.586 125.558 119.950 0.037 0.000 2.413 70 F HA 0.271 4.799 4.527 0.002 0.000 0.359 70 F C -1.956 173.932 175.800 0.146 0.000 1.122 70 F CA -1.999 56.047 58.000 0.077 0.000 1.160 70 F CB 0.397 39.456 39.000 0.098 0.000 1.146 70 F HN -0.023 nan 8.300 nan 0.000 0.514 71 P HA -0.021 nan 4.420 nan 0.000 0.267 71 P C -0.644 176.686 177.300 0.050 0.000 1.205 71 P CA -0.303 62.872 63.100 0.126 0.000 0.765 71 P CB 0.868 32.617 31.700 0.082 0.000 0.828 72 R N 2.797 123.259 120.500 -0.063 0.000 2.234 72 R HA 0.388 4.729 4.340 0.002 0.000 0.324 72 R C -1.095 175.078 176.300 -0.213 0.000 1.054 72 R CA -0.516 55.361 56.100 -0.373 0.000 0.912 72 R CB 0.432 30.555 30.300 -0.295 0.000 1.030 72 R HN 0.254 nan 8.270 nan 0.000 0.455 73 V N 5.675 125.442 119.914 -0.244 0.000 2.378 73 V HA 0.313 4.434 4.120 0.002 0.000 0.288 73 V C -0.155 175.857 176.094 -0.137 0.000 1.016 73 V CA -0.680 61.557 62.300 -0.105 0.000 0.840 73 V CB 1.353 33.157 31.823 -0.032 0.000 0.994 73 V HN 0.752 nan 8.190 nan 0.000 0.431 74 K N 4.079 124.411 120.400 -0.113 0.000 2.166 74 K HA 0.458 4.779 4.320 0.002 0.000 0.245 74 K C -0.602 175.894 176.600 -0.173 0.000 0.967 74 K CA -0.756 55.383 56.287 -0.247 0.000 0.863 74 K CB 1.573 33.753 32.500 -0.534 0.000 1.107 74 K HN 0.676 nan 8.250 nan 0.000 0.436 75 N N 3.341 121.910 118.700 -0.218 0.000 2.446 75 N HA 0.133 4.874 4.740 0.002 0.000 0.265 75 N C -0.534 174.893 175.510 -0.138 0.000 0.975 75 N CA -0.442 52.591 53.050 -0.028 0.000 0.928 75 N CB 0.566 39.066 38.487 0.022 0.000 1.160 75 N HN 0.667 nan 8.380 nan 0.000 0.495 76 W N 1.937 123.313 121.300 0.126 0.000 3.047 76 W HA 0.192 4.854 4.660 0.002 0.000 0.250 76 W C 1.937 178.512 176.519 0.095 0.000 1.314 76 W CA -0.204 57.211 57.345 0.117 0.000 1.540 76 W CB 0.299 29.848 29.460 0.149 0.000 1.127 76 W HN 0.655 nan 8.180 nan 0.000 0.679 77 E N 0.230 120.560 120.200 0.216 0.000 2.250 77 E HA -0.041 4.310 4.350 0.002 0.000 0.192 77 E C 1.598 178.216 176.600 0.030 0.000 0.986 77 E CA 0.840 57.272 56.400 0.052 0.000 0.849 77 E CB 0.047 29.728 29.700 -0.031 0.000 0.797 77 E HN 0.287 nan 8.360 nan 0.000 0.482 78 L N -1.502 119.735 121.223 0.024 0.000 2.642 78 L HA 0.376 4.717 4.340 0.002 0.000 0.233 78 L C 1.400 178.245 176.870 -0.042 0.000 1.077 78 L CA 0.401 55.238 54.840 -0.006 0.000 0.879 78 L CB 0.854 42.912 42.059 -0.002 0.000 1.151 78 L HN 0.307 nan 8.230 nan 0.000 0.495 79 G N 1.074 109.818 108.800 -0.093 0.000 2.143 79 G HA2 -0.289 3.672 3.960 0.002 0.000 0.249 79 G HA3 -0.289 3.672 3.960 0.002 0.000 0.249 79 G C 0.363 175.163 174.900 -0.167 0.000 0.981 79 G CA 0.388 45.390 45.100 -0.164 0.000 0.665 79 G HN 0.444 nan 8.290 nan 0.000 0.528 80 S N -0.648 114.971 115.700 -0.134 0.000 2.632 80 S HA 0.828 5.299 4.470 0.002 0.000 0.267 80 S C 0.168 174.675 174.600 -0.154 0.000 1.276 80 S CA -0.310 57.823 58.200 -0.111 0.000 0.998 80 S CB 2.095 65.256 63.200 -0.066 0.000 0.953 80 S HN 0.728 nan 8.310 nan 0.000 0.547 81 I N 0.614 121.107 120.570 -0.128 0.000 2.894 81 I HA 0.580 4.751 4.170 0.002 0.000 0.302 81 I C -0.450 175.583 176.117 -0.140 0.000 1.188 81 I CA -0.584 60.614 61.300 -0.171 0.000 1.014 81 I CB 2.768 40.654 38.000 -0.190 0.000 1.242 81 I HN 1.039 nan 8.210 nan 0.000 0.430 82 T N -0.085 114.339 114.554 -0.217 0.000 2.792 82 T HA 0.586 4.937 4.350 0.002 0.000 0.303 82 T C -1.697 172.811 174.700 -0.321 0.000 1.310 82 T CA -0.754 61.260 62.100 -0.143 0.000 1.007 82 T CB 1.580 70.412 68.868 -0.061 0.000 1.335 82 T HN 0.308 nan 8.240 nan 0.000 0.504 83 Y N 0.711 120.998 120.300 -0.022 0.000 2.326 83 Y HA 0.415 4.966 4.550 0.002 0.000 0.331 83 Y C 0.140 176.032 175.900 -0.014 0.000 0.962 83 Y CA -0.910 57.188 58.100 -0.004 0.000 1.167 83 Y CB 1.493 39.937 38.460 -0.028 0.000 1.148 83 Y HN 0.735 nan 8.280 nan 0.000 0.463 84 D N 2.616 123.090 120.400 0.125 0.000 2.344 84 D HA 0.023 4.664 4.640 0.002 0.000 0.253 84 D C 0.758 177.136 176.300 0.129 0.000 1.255 84 D CA 0.356 54.418 54.000 0.103 0.000 0.894 84 D CB 1.105 41.977 40.800 0.120 0.000 1.067 84 D HN 0.791 nan 8.370 nan 0.000 0.492 85 T N 1.085 115.649 114.554 0.016 0.000 3.022 85 T HA -0.050 4.301 4.350 0.002 0.000 0.250 85 T C 1.812 176.525 174.700 0.022 0.000 1.060 85 T CA -0.303 61.773 62.100 -0.041 0.000 1.013 85 T CB 0.161 68.748 68.868 -0.469 0.000 0.982 85 T HN 0.257 nan 8.240 nan 0.000 0.508 86 L N 2.615 123.834 121.223 -0.008 0.000 2.093 86 L HA 0.052 4.393 4.340 0.002 0.000 0.208 86 L C 2.661 179.439 176.870 -0.153 0.000 1.085 86 L CA 1.316 56.157 54.840 0.001 0.000 0.755 86 L CB -1.074 41.050 42.059 0.109 0.000 0.904 86 L HN 0.658 nan 8.230 nan 0.000 0.435 87 C N -1.206 117.775 119.300 -0.532 0.000 2.400 87 C HA -0.069 4.392 4.460 0.002 0.000 0.291 87 C C 2.789 177.534 174.990 -0.407 0.000 1.372 87 C CA 0.255 58.589 59.018 -1.139 0.000 1.800 87 C CB -2.340 24.727 27.740 -1.121 0.000 1.869 87 C HN 0.591 nan 8.230 nan 0.000 0.533 88 A N 0.195 122.934 122.820 -0.135 0.000 1.972 88 A HA -0.125 4.196 4.320 0.002 0.000 0.219 88 A C 2.254 179.828 177.584 -0.017 0.000 1.169 88 A CA 1.547 53.572 52.037 -0.019 0.000 0.635 88 A CB -0.505 18.582 19.000 0.144 0.000 0.810 88 A HN 0.712 nan 8.150 nan 0.000 0.446 89 Q N 0.305 120.099 119.800 -0.010 0.000 2.482 89 Q HA 0.059 4.400 4.340 0.002 0.000 0.209 89 Q C 0.481 176.506 176.000 0.042 0.000 0.961 89 Q CA 0.233 56.054 55.803 0.029 0.000 0.945 89 Q CB -0.355 28.413 28.738 0.051 0.000 1.012 89 Q HN 0.479 nan 8.270 nan 0.000 0.515 90 S N 1.104 116.817 115.700 0.021 0.000 2.481 90 S HA 0.059 4.530 4.470 0.002 0.000 0.276 90 S C 0.846 175.470 174.600 0.041 0.000 1.247 90 S CA -0.173 58.065 58.200 0.064 0.000 1.053 90 S CB 0.462 63.707 63.200 0.075 0.000 0.925 90 S HN 0.113 nan 8.310 nan 0.000 0.491 91 Q N 2.333 122.162 119.800 0.048 0.000 2.247 91 Q HA 0.221 4.562 4.340 0.002 0.000 0.211 91 Q C -0.046 175.973 176.000 0.033 0.000 0.861 91 Q CA 0.114 55.939 55.803 0.036 0.000 0.949 91 Q CB 0.572 29.334 28.738 0.040 0.000 1.115 91 Q HN 0.749 nan 8.270 nan 0.000 0.507 92 Q N 0.807 120.631 119.800 0.040 0.000 2.342 92 Q HA 0.307 4.648 4.340 0.002 0.000 0.267 92 Q C -1.416 174.607 176.000 0.039 0.000 1.038 92 Q CA -0.340 55.483 55.803 0.033 0.000 0.832 92 Q CB 1.424 30.178 28.738 0.028 0.000 1.323 92 Q HN -0.194 nan 8.270 nan 0.000 0.448 93 D N 1.712 122.130 120.400 0.030 0.000 2.193 93 D HA 0.536 5.177 4.640 0.002 0.000 0.249 93 D C -0.076 176.244 176.300 0.033 0.000 1.034 93 D CA -0.049 53.970 54.000 0.032 0.000 0.902 93 D CB 1.644 42.457 40.800 0.022 0.000 1.182 93 D HN 0.687 nan 8.370 nan 0.000 0.436 94 G N 0.659 109.483 108.800 0.039 0.000 2.543 94 G HA2 0.350 4.311 3.960 0.002 0.000 0.267 94 G HA3 0.350 4.311 3.960 0.002 0.000 0.267 94 G C -1.528 173.392 174.900 0.032 0.000 1.406 94 G CA -0.544 44.579 45.100 0.037 0.000 1.048 94 G HN 0.376 nan 8.290 nan 0.000 0.548 95 P HA 0.188 nan 4.420 nan 0.000 0.252 95 P C 0.288 177.605 177.300 0.028 0.000 1.218 95 P CA -0.042 63.077 63.100 0.031 0.000 0.807 95 P CB 0.224 31.946 31.700 0.035 0.000 1.072 96 C N 0.917 120.235 119.300 0.030 0.000 2.500 96 C HA 0.619 5.080 4.460 0.002 0.000 0.367 96 C C 1.016 176.018 174.990 0.019 0.000 1.283 96 C CA 0.204 59.237 59.018 0.025 0.000 2.456 96 C CB 0.785 28.543 27.740 0.029 0.000 2.457 96 C HN 0.401 nan 8.230 nan 0.000 0.632 97 T N -2.113 112.449 114.554 0.014 0.000 2.821 97 T HA 0.394 4.745 4.350 0.002 0.000 0.306 97 T C -2.576 172.127 174.700 0.006 0.000 1.313 97 T CA -0.967 61.138 62.100 0.009 0.000 1.012 97 T CB 1.237 70.110 68.868 0.007 0.000 1.298 97 T HN 0.258 nan 8.240 nan 0.000 0.502 98 P HA 0.019 nan 4.420 nan 0.000 0.220 98 P C 1.562 178.863 177.300 0.000 0.000 1.148 98 P CA 0.602 63.702 63.100 0.001 0.000 0.803 98 P CB 0.109 31.808 31.700 -0.002 0.000 0.782 99 R N 0.034 120.535 120.500 0.001 0.000 2.096 99 R HA -0.093 4.248 4.340 0.002 0.000 0.235 99 R C 0.612 176.913 176.300 0.001 0.000 1.127 99 R CA 1.102 57.203 56.100 0.001 0.000 0.968 99 R CB 0.112 30.413 30.300 0.001 0.000 0.861 99 R HN 0.101 nan 8.270 nan 0.000 0.440 100 R N -0.440 120.062 120.500 0.003 0.000 2.634 100 R HA 0.134 4.475 4.340 0.002 0.000 0.263 100 R C -1.790 174.514 176.300 0.007 0.000 1.060 100 R CA -0.695 55.407 56.100 0.003 0.000 0.898 100 R CB 0.125 30.428 30.300 0.004 0.000 1.253 100 R HN 0.091 nan 8.270 nan 0.000 0.461 101 C N 3.324 122.628 119.300 0.006 0.000 2.369 101 C HA 0.590 5.051 4.460 0.002 0.000 0.358 101 C C 0.824 175.825 174.990 0.019 0.000 1.274 101 C CA -0.636 58.389 59.018 0.012 0.000 1.935 101 C CB -0.662 27.081 27.740 0.005 0.000 2.431 101 C HN 0.757 nan 8.230 nan 0.000 0.545 102 L N 5.493 126.733 121.223 0.028 0.000 3.168 102 L HA 0.279 4.620 4.340 0.002 0.000 0.277 102 L C 2.063 178.964 176.870 0.051 0.000 1.245 102 L CA 0.269 55.130 54.840 0.036 0.000 1.035 102 L CB -0.074 42.005 42.059 0.033 0.000 1.399 102 L HN 1.034 nan 8.230 nan 0.000 0.580 103 G N 0.398 109.229 108.800 0.053 0.000 2.479 103 G HA2 -0.259 3.702 3.960 0.002 0.000 0.220 103 G HA3 -0.259 3.702 3.960 0.002 0.000 0.220 103 G C 1.511 176.476 174.900 0.107 0.000 1.115 103 G CA 1.177 46.320 45.100 0.072 0.000 0.757 103 G HN 0.507 nan 8.290 nan 0.000 0.560 104 S N -0.676 115.086 115.700 0.104 0.000 2.593 104 S HA 0.349 4.820 4.470 0.002 0.000 0.217 104 S C 0.566 175.254 174.600 0.147 0.000 0.966 104 S CA -0.477 57.807 58.200 0.140 0.000 0.914 104 S CB 0.061 63.326 63.200 0.108 0.000 0.776 104 S HN -0.013 nan 8.310 nan 0.000 0.523 105 L N 1.923 123.217 121.223 0.118 0.000 2.397 105 L HA 0.300 4.641 4.340 0.002 0.000 0.271 105 L C 1.394 178.356 176.870 0.153 0.000 1.148 105 L CA 0.109 55.015 54.840 0.110 0.000 0.825 105 L CB 0.909 43.012 42.059 0.073 0.000 1.117 105 L HN -0.017 nan 8.230 nan 0.000 0.456 106 V N 3.033 123.047 119.914 0.166 0.000 2.302 106 V HA -0.041 4.080 4.120 0.002 0.000 0.243 106 V C 0.751 176.920 176.094 0.125 0.000 1.036 106 V CA 1.046 63.479 62.300 0.223 0.000 1.020 106 V CB -0.263 31.691 31.823 0.217 0.000 0.657 106 V HN 0.470 nan 8.190 nan 0.000 0.453 107 L N 0.148 121.394 121.223 0.038 0.000 2.334 107 L HA 0.478 4.819 4.340 0.002 0.000 0.272 107 L C -2.564 174.335 176.870 0.050 0.000 1.020 107 L CA -1.794 53.044 54.840 -0.002 0.000 0.812 107 L CB 1.050 43.043 42.059 -0.109 0.000 1.264 107 L HN 0.061 nan 8.230 nan 0.000 0.439 108 P HA 0.249 nan 4.420 nan 0.000 0.282 108 P C -0.017 177.304 177.300 0.034 0.000 1.274 108 P CA -0.626 62.511 63.100 0.062 0.000 0.770 108 P CB 1.167 32.916 31.700 0.081 0.000 0.867 109 R N 3.645 124.160 120.500 0.024 0.000 2.127 109 R HA -0.169 4.172 4.340 0.002 0.000 0.238 109 R C 1.488 177.794 176.300 0.010 0.000 1.134 109 R CA 1.913 58.021 56.100 0.012 0.000 0.975 109 R CB -0.050 30.257 30.300 0.012 0.000 0.865 109 R HN 0.198 nan 8.270 nan 0.000 0.447 110 K N -1.817 118.593 120.400 0.017 0.000 2.504 110 K HA 0.186 4.507 4.320 0.002 0.000 0.203 110 K C 0.907 177.519 176.600 0.019 0.000 1.350 110 K CA 0.196 56.491 56.287 0.014 0.000 0.953 110 K CB 0.050 32.557 32.500 0.012 0.000 1.243 110 K HN 0.058 nan 8.250 nan 0.000 0.534 111 L N 2.469 123.708 121.223 0.028 0.000 2.757 111 L HA -0.018 4.323 4.340 0.002 0.000 0.243 111 L C 0.515 177.408 176.870 0.037 0.000 1.182 111 L CA 0.967 55.826 54.840 0.031 0.000 0.851 111 L CB -1.518 40.564 42.059 0.038 0.000 0.989 111 L HN 0.265 nan 8.230 nan 0.000 0.457 112 Q N -0.567 119.253 119.800 0.033 0.000 2.474 112 Q HA 0.026 4.367 4.340 0.002 0.000 0.256 112 Q C 0.268 176.279 176.000 0.019 0.000 1.048 112 Q CA 0.705 56.526 55.803 0.031 0.000 0.922 112 Q CB 0.541 29.284 28.738 0.009 0.000 1.288 112 Q HN 0.161 nan 8.270 nan 0.000 0.484 113 T N 4.802 119.367 114.554 0.019 0.000 3.477 113 T HA 0.268 4.619 4.350 0.002 0.000 0.347 113 T C -0.261 174.436 174.700 -0.005 0.000 1.567 113 T CA -0.513 61.592 62.100 0.008 0.000 1.169 113 T CB -0.095 68.782 68.868 0.016 0.000 1.196 113 T HN 0.327 nan 8.240 nan 0.000 0.768 114 R N 2.558 123.053 120.500 -0.007 0.000 2.705 114 R HA 0.037 4.378 4.340 0.002 0.000 0.264 114 R C -2.096 174.196 176.300 -0.015 0.000 0.988 114 R CA -1.022 55.070 56.100 -0.013 0.000 1.103 114 R CB -0.458 29.836 30.300 -0.009 0.000 0.950 114 R HN 0.324 nan 8.270 nan 0.000 0.427 115 P HA -0.093 nan 4.420 nan 0.000 0.271 115 P C 0.055 177.348 177.300 -0.013 0.000 1.212 115 P CA 0.456 63.547 63.100 -0.015 0.000 0.788 115 P CB 0.446 32.137 31.700 -0.014 0.000 0.865 116 S N 0.910 116.603 115.700 -0.013 0.000 2.592 116 S HA 0.244 4.715 4.470 0.002 0.000 0.243 116 S C -1.356 173.238 174.600 -0.010 0.000 1.160 116 S CA -1.144 57.047 58.200 -0.015 0.000 1.145 116 S CB -0.495 62.690 63.200 -0.026 0.000 0.909 116 S HN 0.303 nan 8.310 nan 0.000 0.487 117 P HA 0.138 nan 4.420 nan 0.000 0.223 117 P C 0.836 178.136 177.300 -0.001 0.000 1.151 117 P CA 0.632 63.731 63.100 -0.002 0.000 0.787 117 P CB -0.130 31.570 31.700 -0.000 0.000 0.788 118 G N 0.979 109.778 108.800 -0.002 0.000 2.432 118 G HA2 0.542 4.503 3.960 0.002 0.000 0.331 118 G HA3 0.542 4.503 3.960 0.002 0.000 0.331 118 G C -2.864 172.035 174.900 -0.001 0.000 1.170 118 G CA -1.584 43.516 45.100 0.001 0.000 0.943 118 G HN -0.077 nan 8.290 nan 0.000 0.483 119 P HA 0.298 nan 4.420 nan 0.000 0.274 119 P C -2.494 174.809 177.300 0.005 0.000 1.231 119 P CA -1.012 62.089 63.100 0.003 0.000 0.790 119 P CB 1.176 32.883 31.700 0.010 0.000 0.951 120 P HA 0.355 nan 4.420 nan 0.000 0.285 120 P C -2.579 174.731 177.300 0.017 0.000 1.259 120 P CA -2.012 61.093 63.100 0.009 0.000 0.794 120 P CB -0.712 30.992 31.700 0.007 0.000 0.940 121 P HA -0.098 nan 4.420 nan 0.000 0.255 121 P C 1.094 178.408 177.300 0.023 0.000 1.151 121 P CA 0.481 63.592 63.100 0.017 0.000 0.767 121 P CB 0.034 31.743 31.700 0.015 0.000 0.736 122 A N 4.573 127.408 122.820 0.024 0.000 1.997 122 A HA -0.287 4.034 4.320 0.002 0.000 0.221 122 A C 1.958 179.555 177.584 0.022 0.000 1.172 122 A CA 1.763 53.816 52.037 0.027 0.000 0.645 122 A CB -0.645 18.369 19.000 0.024 0.000 0.813 122 A HN 0.610 nan 8.150 nan 0.000 0.454 123 E N -1.337 118.874 120.200 0.018 0.000 2.028 123 E HA -0.233 4.118 4.350 0.002 0.000 0.191 123 E C 2.311 178.922 176.600 0.019 0.000 0.988 123 E CA 1.306 57.714 56.400 0.015 0.000 0.799 123 E CB -0.211 29.497 29.700 0.012 0.000 0.755 123 E HN 0.657 nan 8.360 nan 0.000 0.447 124 Q N 1.307 121.120 119.800 0.022 0.000 2.014 124 Q HA -0.201 4.140 4.340 0.002 0.000 0.207 124 Q C 2.174 178.197 176.000 0.037 0.000 0.993 124 Q CA 1.399 57.218 55.803 0.027 0.000 0.850 124 Q CB -0.632 28.120 28.738 0.024 0.000 0.916 124 Q HN 0.245 nan 8.270 nan 0.000 0.417 125 L N -0.251 120.999 121.223 0.044 0.000 2.043 125 L HA -0.154 4.187 4.340 0.002 0.000 0.212 125 L C 2.131 179.037 176.870 0.061 0.000 1.075 125 L CA 1.744 56.627 54.840 0.072 0.000 0.752 125 L CB -0.924 41.189 42.059 0.089 0.000 0.891 125 L HN 0.438 nan 8.230 nan 0.000 0.432 126 L N -0.623 120.616 121.223 0.025 0.000 2.083 126 L HA -0.184 4.157 4.340 0.002 0.000 0.209 126 L C 2.725 179.593 176.870 -0.002 0.000 1.083 126 L CA 2.086 56.917 54.840 -0.014 0.000 0.752 126 L CB -0.766 41.285 42.059 -0.013 0.000 0.899 126 L HN 0.626 nan 8.230 nan 0.000 0.433 127 S N -2.035 113.678 115.700 0.023 0.000 2.387 127 S HA -0.186 4.285 4.470 0.002 0.000 0.226 127 S C 1.846 176.483 174.600 0.063 0.000 1.026 127 S CA 0.785 59.006 58.200 0.035 0.000 0.972 127 S CB -0.535 62.684 63.200 0.033 0.000 0.814 127 S HN 0.585 nan 8.310 nan 0.000 0.477 128 Q N 1.131 120.976 119.800 0.075 0.000 2.167 128 Q HA 0.143 4.484 4.340 0.002 0.000 0.202 128 Q C 2.483 178.584 176.000 0.168 0.000 0.970 128 Q CA 1.221 57.091 55.803 0.111 0.000 0.855 128 Q CB -0.439 28.358 28.738 0.098 0.000 0.911 128 Q HN 0.760 nan 8.270 nan 0.000 0.438 129 A N 1.082 123.977 122.820 0.126 0.000 1.897 129 A HA -0.128 4.193 4.320 0.002 0.000 0.215 129 A C 1.972 179.625 177.584 0.115 0.000 1.181 129 A CA 0.904 53.009 52.037 0.112 0.000 0.620 129 A CB -0.247 18.605 19.000 -0.247 0.000 0.821 129 A HN 0.157 nan 8.150 nan 0.000 0.443 130 R N -0.388 120.148 120.500 0.060 0.000 2.073 130 R HA -0.178 4.163 4.340 0.002 0.000 0.234 130 R C 2.043 178.420 176.300 0.128 0.000 1.134 130 R CA 1.729 57.874 56.100 0.075 0.000 0.952 130 R CB -0.444 29.880 30.300 0.041 0.000 0.850 130 R HN 0.714 nan 8.270 nan 0.000 0.433 131 D N 0.103 120.586 120.400 0.138 0.000 2.104 131 D HA -0.223 4.418 4.640 0.002 0.000 0.194 131 D C 1.680 178.101 176.300 0.203 0.000 0.994 131 D CA 1.153 55.245 54.000 0.153 0.000 0.830 131 D CB -0.131 40.755 40.800 0.143 0.000 0.959 131 D HN 0.139 nan 8.370 nan 0.000 0.452 132 F N 0.927 120.961 119.950 0.140 0.000 2.102 132 F HA -0.063 4.465 4.527 0.002 0.000 0.298 132 F C 2.026 177.960 175.800 0.223 0.000 1.105 132 F CA 1.078 59.191 58.000 0.189 0.000 1.239 132 F CB -0.326 38.787 39.000 0.189 0.000 0.991 132 F HN -0.012 nan 8.300 nan 0.000 0.474 133 I N 0.962 121.533 120.570 0.001 0.000 2.335 133 I HA -0.302 3.869 4.170 0.002 0.000 0.251 133 I C 1.946 178.080 176.117 0.030 0.000 1.129 133 I CA 1.154 62.445 61.300 -0.015 0.000 1.402 133 I CB -1.497 36.619 38.000 0.193 0.000 1.069 133 I HN 0.291 nan 8.210 nan 0.000 0.424 134 N N 0.772 119.526 118.700 0.090 0.000 2.135 134 N HA -0.158 4.583 4.740 0.002 0.000 0.186 134 N C 1.830 177.297 175.510 -0.073 0.000 1.027 134 N CA 1.009 54.113 53.050 0.090 0.000 0.849 134 N CB -0.247 38.328 38.487 0.147 0.000 1.002 134 N HN 0.498 nan 8.380 nan 0.000 0.425 135 Q N -0.148 119.621 119.800 -0.052 0.000 2.061 135 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 135 Q C 1.880 177.701 176.000 -0.299 0.000 0.984 135 Q CA 1.404 57.189 55.803 -0.031 0.000 0.846 135 Q CB -0.295 28.554 28.738 0.185 0.000 0.902 135 Q HN 0.434 nan 8.270 nan 0.000 0.421 136 Y N -0.068 119.812 120.300 -0.700 0.000 2.128 136 Y HA -0.283 4.268 4.550 0.002 0.000 0.284 136 Y C 1.584 176.908 175.900 -0.960 0.000 1.154 136 Y CA 1.593 58.968 58.100 -1.208 0.000 1.149 136 Y CB -0.458 37.338 38.460 -1.107 0.000 0.976 136 Y HN 0.110 nan 8.280 nan 0.000 0.505 137 Y N -0.392 119.462 120.300 -0.742 0.000 2.571 137 Y HA -0.143 4.408 4.550 0.002 0.000 0.294 137 Y C 2.555 178.118 175.900 -0.563 0.000 1.141 137 Y CA 1.112 58.760 58.100 -0.754 0.000 1.308 137 Y CB -0.040 37.877 38.460 -0.905 0.000 1.002 137 Y HN 0.121 nan 8.280 nan 0.000 0.551 138 S N -0.756 114.728 115.700 -0.361 0.000 2.348 138 S HA -0.183 4.288 4.470 0.002 0.000 0.219 138 S C 2.208 176.650 174.600 -0.265 0.000 1.033 138 S CA 1.204 59.273 58.200 -0.219 0.000 0.974 138 S CB -0.603 62.522 63.200 -0.124 0.000 0.868 138 S HN 0.597 nan 8.310 nan 0.000 0.459 139 S N 2.486 117.951 115.700 -0.392 0.000 2.440 139 S HA -0.109 4.362 4.470 0.002 0.000 0.240 139 S C 1.386 175.772 174.600 -0.358 0.000 1.014 139 S CA 1.224 59.221 58.200 -0.340 0.000 0.980 139 S CB -0.916 61.971 63.200 -0.521 0.000 0.775 139 S HN 0.741 nan 8.310 nan 0.000 0.499 140 I N -3.281 116.998 120.570 -0.485 0.000 3.856 140 I HA 0.469 4.640 4.170 0.002 0.000 0.330 140 I C 0.054 176.040 176.117 -0.217 0.000 1.546 140 I CA -0.865 60.212 61.300 -0.371 0.000 1.132 140 I CB -0.296 37.385 38.000 -0.533 0.000 1.157 140 I HN -0.051 nan 8.210 nan 0.000 0.440 141 K N 1.512 121.808 120.400 -0.173 0.000 2.975 141 K HA -0.173 4.148 4.320 0.002 0.000 0.257 141 K C 0.129 176.690 176.600 -0.065 0.000 1.005 141 K CA 0.617 56.845 56.287 -0.099 0.000 0.738 141 K CB -0.968 31.489 32.500 -0.072 0.000 1.236 141 K HN 0.490 nan 8.250 nan 0.000 0.483 142 R N 0.143 120.613 120.500 -0.050 0.000 2.767 142 R HA 0.123 4.464 4.340 0.002 0.000 0.377 142 R C 0.042 176.349 176.300 0.011 0.000 1.151 142 R CA -0.172 55.940 56.100 0.020 0.000 1.046 142 R CB 1.026 31.395 30.300 0.114 0.000 1.404 142 R HN 0.082 nan 8.270 nan 0.000 0.580 143 S N -0.688 115.005 115.700 -0.012 0.000 2.576 143 S HA 0.340 4.811 4.470 0.002 0.000 0.276 143 S C 1.419 176.084 174.600 0.108 0.000 1.339 143 S CA 1.152 59.375 58.200 0.039 0.000 1.039 143 S CB 0.702 63.916 63.200 0.023 0.000 0.902 143 S HN 0.725 nan 8.310 nan 0.000 0.516 144 G N 2.479 111.442 108.800 0.271 0.000 2.270 144 G HA2 -0.342 3.619 3.960 0.002 0.000 0.268 144 G HA3 -0.342 3.619 3.960 0.002 0.000 0.268 144 G C 0.499 175.378 174.900 -0.036 0.000 0.982 144 G CA 0.978 46.099 45.100 0.035 0.000 0.628 144 G HN 1.586 nan 8.290 nan 0.000 0.544 145 S N -0.581 115.099 115.700 -0.034 0.000 2.658 145 S HA 0.352 4.823 4.470 0.002 0.000 0.249 145 S C 1.362 175.898 174.600 -0.107 0.000 1.363 145 S CA 1.127 59.284 58.200 -0.071 0.000 0.964 145 S CB 0.728 63.882 63.200 -0.077 0.000 0.973 145 S HN 0.571 nan 8.310 nan 0.000 0.588 146 Q N 0.686 120.434 119.800 -0.088 0.000 1.994 146 Q HA 0.124 4.465 4.340 0.002 0.000 0.198 146 Q C 2.396 178.331 176.000 -0.109 0.000 0.976 146 Q CA 2.175 57.929 55.803 -0.083 0.000 0.828 146 Q CB -1.378 27.332 28.738 -0.047 0.000 0.894 146 Q HN 0.900 nan 8.270 nan 0.000 0.432 147 A N 0.083 122.842 122.820 -0.102 0.000 1.971 147 A HA -0.322 3.999 4.320 0.002 0.000 0.222 147 A C 2.127 179.550 177.584 -0.270 0.000 1.182 147 A CA 2.143 54.127 52.037 -0.088 0.000 0.649 147 A CB -1.273 17.744 19.000 0.028 0.000 0.818 147 A HN 0.761 nan 8.150 nan 0.000 0.458 148 H N -1.190 117.407 119.070 -0.789 0.000 2.321 148 H HA -0.117 4.440 4.556 0.002 0.000 0.300 148 H C 2.065 177.172 175.328 -0.369 0.000 1.087 148 H CA 1.139 56.573 56.048 -1.024 0.000 1.319 148 H CB 0.129 29.340 29.762 -0.918 0.000 1.379 148 H HN 0.423 nan 8.280 nan 0.000 0.501 149 E N 0.857 120.908 120.200 -0.249 0.000 2.051 149 E HA -0.164 4.187 4.350 0.002 0.000 0.192 149 E C 2.081 178.618 176.600 -0.107 0.000 0.991 149 E CA 1.259 57.532 56.400 -0.211 0.000 0.799 149 E CB -0.203 29.400 29.700 -0.162 0.000 0.748 149 E HN 0.709 nan 8.360 nan 0.000 0.449 150 E N 0.281 120.441 120.200 -0.066 0.000 2.204 150 E HA -0.154 4.197 4.350 0.002 0.000 0.194 150 E C 2.105 178.721 176.600 0.028 0.000 0.989 150 E CA 0.597 56.988 56.400 -0.015 0.000 0.824 150 E CB -0.025 29.674 29.700 -0.002 0.000 0.756 150 E HN -0.078 nan 8.360 nan 0.000 0.477 151 R N 1.346 121.882 120.500 0.060 0.000 2.119 151 R HA 0.004 4.345 4.340 0.002 0.000 0.222 151 R C 1.936 178.304 176.300 0.114 0.000 1.088 151 R CA 0.898 57.087 56.100 0.147 0.000 0.984 151 R CB -0.402 30.092 30.300 0.324 0.000 0.884 151 R HN 0.163 nan 8.270 nan 0.000 0.447 152 L N 0.174 121.437 121.223 0.067 0.000 2.093 152 L HA -0.122 4.219 4.340 0.002 0.000 0.208 152 L C 2.363 179.228 176.870 -0.010 0.000 1.085 152 L CA 1.437 56.290 54.840 0.021 0.000 0.755 152 L CB -0.379 41.652 42.059 -0.045 0.000 0.904 152 L HN 0.286 nan 8.230 nan 0.000 0.435 153 Q N -0.235 119.558 119.800 -0.011 0.000 2.119 153 Q HA -0.200 4.141 4.340 0.002 0.000 0.201 153 Q C 2.039 178.045 176.000 0.010 0.000 0.972 153 Q CA 1.211 57.008 55.803 -0.010 0.000 0.847 153 Q CB -0.071 28.659 28.738 -0.013 0.000 0.903 153 Q HN 0.515 nan 8.270 nan 0.000 0.433 154 E N 0.209 120.428 120.200 0.031 0.000 2.058 154 E HA -0.189 4.162 4.350 0.002 0.000 0.194 154 E C 2.126 178.757 176.600 0.052 0.000 0.997 154 E CA 1.575 58.008 56.400 0.054 0.000 0.801 154 E CB -0.006 29.745 29.700 0.084 0.000 0.746 154 E HN 0.141 nan 8.360 nan 0.000 0.450 155 V N 1.779 121.704 119.914 0.018 0.000 2.295 155 V HA -0.241 3.880 4.120 0.002 0.000 0.246 155 V C 2.224 178.270 176.094 -0.079 0.000 1.049 155 V CA 1.693 63.944 62.300 -0.081 0.000 1.024 155 V CB -0.523 31.159 31.823 -0.236 0.000 0.648 155 V HN 0.214 nan 8.190 nan 0.000 0.447 156 E N 0.550 120.719 120.200 -0.052 0.000 2.070 156 E HA -0.261 4.090 4.350 0.002 0.000 0.197 156 E C 2.404 179.002 176.600 -0.002 0.000 1.004 156 E CA 1.699 58.079 56.400 -0.033 0.000 0.805 156 E CB -0.518 29.167 29.700 -0.024 0.000 0.744 156 E HN 0.583 nan 8.360 nan 0.000 0.451 157 A N 1.336 124.164 122.820 0.013 0.000 1.865 157 A HA -0.252 4.069 4.320 0.002 0.000 0.217 157 A C 2.126 179.741 177.584 0.051 0.000 1.191 157 A CA 1.889 53.943 52.037 0.029 0.000 0.623 157 A CB -0.587 18.433 19.000 0.032 0.000 0.826 157 A HN 0.262 nan 8.150 nan 0.000 0.444 158 E N -0.552 119.695 120.200 0.077 0.000 2.072 158 E HA -0.112 4.239 4.350 0.002 0.000 0.191 158 E C 1.984 178.657 176.600 0.123 0.000 0.985 158 E CA 1.212 57.686 56.400 0.123 0.000 0.801 158 E CB -0.121 29.703 29.700 0.205 0.000 0.750 158 E HN 0.347 nan 8.360 nan 0.000 0.452 159 V N 1.138 121.112 119.914 0.100 0.000 2.255 159 V HA -0.313 3.808 4.120 0.002 0.000 0.247 159 V C 2.388 178.519 176.094 0.062 0.000 1.051 159 V CA 1.976 64.329 62.300 0.088 0.000 1.018 159 V CB -0.828 31.015 31.823 0.034 0.000 0.641 159 V HN 0.409 nan 8.190 nan 0.000 0.445 160 A N -0.611 122.234 122.820 0.042 0.000 1.940 160 A HA -0.206 4.115 4.320 0.002 0.000 0.219 160 A C 2.443 180.049 177.584 0.038 0.000 1.176 160 A CA 2.417 54.473 52.037 0.033 0.000 0.631 160 A CB -0.539 18.474 19.000 0.022 0.000 0.814 160 A HN 0.538 nan 8.150 nan 0.000 0.446 161 S N -1.214 114.514 115.700 0.047 0.000 2.388 161 S HA -0.050 4.421 4.470 0.002 0.000 0.223 161 S C 1.959 176.591 174.600 0.053 0.000 1.034 161 S CA 1.572 59.800 58.200 0.046 0.000 0.963 161 S CB -0.156 63.072 63.200 0.047 0.000 0.827 161 S HN 0.875 nan 8.310 nan 0.000 0.481 162 T N -2.247 112.349 114.554 0.070 0.000 3.044 162 T HA 0.455 4.806 4.350 0.002 0.000 0.260 162 T C 1.311 176.052 174.700 0.069 0.000 1.019 162 T CA 0.754 62.898 62.100 0.073 0.000 0.921 162 T CB 0.495 69.422 68.868 0.099 0.000 1.053 162 T HN 0.527 nan 8.240 nan 0.000 0.533 163 G N 0.234 109.075 108.800 0.069 0.000 2.143 163 G HA2 -0.160 3.801 3.960 0.002 0.000 0.248 163 G HA3 -0.160 3.801 3.960 0.002 0.000 0.248 163 G C 0.145 175.091 174.900 0.078 0.000 0.991 163 G CA 0.533 45.669 45.100 0.061 0.000 0.689 163 G HN 1.096 nan 8.290 nan 0.000 0.522 164 T N -1.715 112.909 114.554 0.116 0.000 2.677 164 T HA 0.656 5.007 4.350 0.002 0.000 0.305 164 T C -1.052 173.807 174.700 0.264 0.000 1.569 164 T CA 0.369 62.556 62.100 0.146 0.000 0.984 164 T CB 1.187 70.059 68.868 0.006 0.000 1.629 164 T HN 1.554 nan 8.240 nan 0.000 0.494 165 Y N -0.715 119.582 120.300 -0.005 0.000 2.900 165 Y HA 0.881 5.432 4.550 0.002 0.000 0.318 165 Y C -1.390 174.497 175.900 -0.022 0.000 1.457 165 Y CA -1.173 56.989 58.100 0.104 0.000 1.082 165 Y CB 0.891 39.410 38.460 0.098 0.000 1.419 165 Y HN 0.771 nan 8.280 nan 0.000 0.459 166 H N 0.074 119.113 119.070 -0.051 0.000 2.865 166 H HA 0.662 5.219 4.556 0.002 0.000 0.372 166 H C -1.298 174.029 175.328 -0.002 0.000 1.173 166 H CA -0.867 55.094 56.048 -0.144 0.000 1.147 166 H CB 2.048 31.798 29.762 -0.020 0.000 1.805 166 H HN 0.701 nan 8.280 nan 0.000 0.553 167 L N 1.745 123.020 121.223 0.087 0.000 2.343 167 L HA 0.495 4.836 4.340 0.002 0.000 0.275 167 L C 0.193 177.124 176.870 0.103 0.000 1.056 167 L CA -1.039 53.880 54.840 0.132 0.000 0.804 167 L CB 0.744 42.853 42.059 0.082 0.000 1.203 167 L HN 0.339 nan 8.230 nan 0.000 0.440 168 R N 1.478 122.016 120.500 0.063 0.000 2.357 168 R HA 0.054 4.395 4.340 0.002 0.000 0.296 168 R C 0.893 177.178 176.300 -0.025 0.000 1.052 168 R CA -0.226 55.882 56.100 0.014 0.000 0.988 168 R CB 0.968 31.255 30.300 -0.021 0.000 1.025 168 R HN 0.694 nan 8.270 nan 0.000 0.469 169 E N 1.864 122.057 120.200 -0.013 0.000 2.164 169 E HA -0.323 4.028 4.350 0.002 0.000 0.206 169 E C 1.296 177.876 176.600 -0.033 0.000 1.032 169 E CA 2.592 58.977 56.400 -0.026 0.000 0.832 169 E CB 0.186 29.879 29.700 -0.013 0.000 0.742 169 E HN 0.683 nan 8.360 nan 0.000 0.460 170 S N -0.052 115.624 115.700 -0.040 0.000 2.382 170 S HA -0.209 4.262 4.470 0.002 0.000 0.228 170 S C 1.776 176.330 174.600 -0.076 0.000 1.027 170 S CA 1.364 59.555 58.200 -0.016 0.000 0.991 170 S CB -0.361 62.854 63.200 0.025 0.000 0.823 170 S HN 0.410 nan 8.310 nan 0.000 0.469 171 E N 1.053 121.076 120.200 -0.295 0.000 2.072 171 E HA -0.050 4.301 4.350 0.002 0.000 0.191 171 E C 2.075 178.769 176.600 0.157 0.000 0.985 171 E CA 1.059 57.288 56.400 -0.286 0.000 0.801 171 E CB -0.381 29.170 29.700 -0.248 0.000 0.750 171 E HN 0.425 nan 8.360 nan 0.000 0.452 172 L N 1.075 122.309 121.223 0.018 0.000 1.989 172 L HA -0.192 4.149 4.340 0.002 0.000 0.211 172 L C 2.316 179.162 176.870 -0.040 0.000 1.071 172 L CA 1.484 56.276 54.840 -0.080 0.000 0.749 172 L CB -0.454 41.512 42.059 -0.155 0.000 0.890 172 L HN -0.045 nan 8.230 nan 0.000 0.431 173 V N -0.394 119.522 119.914 0.002 0.000 2.380 173 V HA -0.344 3.777 4.120 0.002 0.000 0.251 173 V C 2.323 178.505 176.094 0.146 0.000 1.063 173 V CA 2.213 64.533 62.300 0.033 0.000 1.055 173 V CB -0.990 30.857 31.823 0.041 0.000 0.657 173 V HN 0.568 nan 8.190 nan 0.000 0.455 174 F N 1.725 121.744 119.950 0.114 0.000 2.146 174 F HA 0.050 4.578 4.527 0.002 0.000 0.298 174 F C 2.157 178.096 175.800 0.231 0.000 1.096 174 F CA 1.390 59.524 58.000 0.223 0.000 1.275 174 F CB -0.946 38.271 39.000 0.361 0.000 1.008 174 F HN 0.120 nan 8.300 nan 0.000 0.480 175 G N 0.132 109.001 108.800 0.115 0.000 2.511 175 G HA2 -0.291 3.670 3.960 0.002 0.000 0.216 175 G HA3 -0.291 3.670 3.960 0.002 0.000 0.216 175 G C 1.906 176.649 174.900 -0.262 0.000 1.218 175 G CA 1.375 46.376 45.100 -0.165 0.000 0.788 175 G HN 0.637 nan 8.290 nan 0.000 0.560 176 A N 1.004 123.697 122.820 -0.212 0.000 1.881 176 A HA -0.221 4.100 4.320 0.002 0.000 0.219 176 A C 2.300 179.875 177.584 -0.015 0.000 1.215 176 A CA 2.513 54.456 52.037 -0.157 0.000 0.648 176 A CB -0.639 18.307 19.000 -0.091 0.000 0.832 176 A HN 0.420 nan 8.150 nan 0.000 0.455 177 K N -1.153 119.285 120.400 0.063 0.000 2.152 177 K HA -0.169 4.152 4.320 0.002 0.000 0.206 177 K C 2.331 179.022 176.600 0.152 0.000 1.048 177 K CA 1.428 57.864 56.287 0.248 0.000 0.933 177 K CB -0.131 32.541 32.500 0.288 0.000 0.721 177 K HN 0.467 nan 8.250 nan 0.000 0.447 178 Q N -0.047 119.657 119.800 -0.160 0.000 2.123 178 Q HA -0.028 4.313 4.340 0.002 0.000 0.199 178 Q C 2.211 178.068 176.000 -0.239 0.000 0.966 178 Q CA 1.340 56.952 55.803 -0.319 0.000 0.845 178 Q CB -0.244 28.207 28.738 -0.480 0.000 0.907 178 Q HN 0.314 nan 8.270 nan 0.000 0.439 179 A N 0.372 123.034 122.820 -0.264 0.000 1.908 179 A HA -0.198 4.123 4.320 0.002 0.000 0.218 179 A C 1.823 179.407 177.584 -0.001 0.000 1.181 179 A CA 1.497 53.296 52.037 -0.396 0.000 0.627 179 A CB -0.960 17.394 19.000 -1.077 0.000 0.818 179 A HN 0.528 nan 8.150 nan 0.000 0.445 180 W N 0.798 122.094 121.300 -0.006 0.000 2.379 180 W HA -0.096 4.565 4.660 0.002 0.000 0.307 180 W C 2.356 178.837 176.519 -0.063 0.000 1.200 180 W CA 1.461 58.843 57.345 0.062 0.000 1.297 180 W CB -0.697 28.794 29.460 0.052 0.000 1.140 180 W HN 0.364 nan 8.180 nan 0.000 0.507 181 R N 0.306 120.750 120.500 -0.093 0.000 2.105 181 R HA -0.177 4.164 4.340 0.002 0.000 0.239 181 R C 1.477 177.615 176.300 -0.271 0.000 1.135 181 R CA 1.768 57.594 56.100 -0.456 0.000 0.967 181 R CB -0.506 29.217 30.300 -0.962 0.000 0.861 181 R HN 0.114 nan 8.270 nan 0.000 0.442 182 N N 0.227 118.819 118.700 -0.180 0.000 2.398 182 N HA 0.022 4.763 4.740 0.002 0.000 0.188 182 N C -0.363 175.091 175.510 -0.094 0.000 1.122 182 N CA 0.514 53.476 53.050 -0.147 0.000 0.866 182 N CB 0.551 38.949 38.487 -0.148 0.000 0.970 182 N HN 0.137 nan 8.380 nan 0.000 0.462 183 A N 2.211 125.026 122.820 -0.009 0.000 2.489 183 A HA 0.228 4.549 4.320 0.002 0.000 0.289 183 A C -1.214 176.347 177.584 -0.039 0.000 1.216 183 A CA -0.926 51.113 52.037 0.004 0.000 0.883 183 A CB 0.259 19.320 19.000 0.100 0.000 1.110 183 A HN -0.003 nan 8.150 nan 0.000 0.523 184 P HA -0.153 nan 4.420 nan 0.000 0.216 184 P C 1.216 178.456 177.300 -0.100 0.000 1.150 184 P CA 1.269 64.304 63.100 -0.108 0.000 0.837 184 P CB 0.145 31.746 31.700 -0.166 0.000 0.786 185 R N -2.298 118.100 120.500 -0.170 0.000 2.297 185 R HA 0.114 4.455 4.340 0.002 0.000 0.197 185 R C 0.402 176.700 176.300 -0.002 0.000 0.943 185 R CA -0.104 55.912 56.100 -0.139 0.000 1.038 185 R CB -0.525 29.475 30.300 -0.500 0.000 0.957 185 R HN 0.190 nan 8.270 nan 0.000 0.484 186 C N 0.570 119.862 119.300 -0.013 0.000 2.394 186 C HA 0.178 4.639 4.460 0.002 0.000 0.362 186 C C 1.863 176.811 174.990 -0.069 0.000 1.268 186 C CA -0.571 58.468 59.018 0.035 0.000 1.828 186 C CB 0.578 28.417 27.740 0.165 0.000 2.442 186 C HN 0.268 nan 8.230 nan 0.000 0.549 187 V N 5.961 125.798 119.914 -0.129 0.000 3.608 187 V HA 0.238 4.359 4.120 0.002 0.000 0.269 187 V C 1.720 177.824 176.094 0.017 0.000 1.245 187 V CA 1.797 63.916 62.300 -0.302 0.000 1.138 187 V CB -0.006 31.649 31.823 -0.280 0.000 0.841 187 V HN 1.064 nan 8.190 nan 0.000 0.451 188 G N -0.546 108.300 108.800 0.077 0.000 3.448 188 G HA2 0.073 4.034 3.960 0.002 0.000 0.261 188 G HA3 0.073 4.034 3.960 0.002 0.000 0.261 188 G C 1.154 176.090 174.900 0.059 0.000 1.173 188 G CA -0.366 44.794 45.100 0.100 0.000 0.835 188 G HN 0.415 nan 8.290 nan 0.000 0.534 189 R N -0.172 120.276 120.500 -0.088 0.000 2.328 189 R HA 0.139 4.480 4.340 0.002 0.000 0.207 189 R C 1.944 177.846 176.300 -0.664 0.000 1.056 189 R CA 0.109 55.861 56.100 -0.580 0.000 1.016 189 R CB -0.106 29.809 30.300 -0.642 0.000 0.872 189 R HN 0.457 nan 8.270 nan 0.000 0.471 190 I N 0.798 121.157 120.570 -0.351 0.000 2.756 190 I HA -0.227 3.944 4.170 0.002 0.000 0.262 190 I C 1.269 177.312 176.117 -0.124 0.000 1.225 190 I CA 1.206 62.454 61.300 -0.087 0.000 1.472 190 I CB 0.180 38.212 38.000 0.055 0.000 1.094 190 I HN 0.214 nan 8.210 nan 0.000 0.454 191 Q N 0.427 120.071 119.800 -0.261 0.000 2.360 191 Q HA -0.093 4.248 4.340 0.002 0.000 0.202 191 Q C 1.667 177.245 176.000 -0.703 0.000 0.915 191 Q CA 0.366 55.996 55.803 -0.288 0.000 0.943 191 Q CB -0.182 28.535 28.738 -0.036 0.000 1.064 191 Q HN 0.784 nan 8.270 nan 0.000 0.511 192 W N 0.374 120.949 121.300 -1.207 0.000 2.303 192 W HA -0.166 4.495 4.660 0.002 0.000 0.287 192 W C 1.046 177.285 176.519 -0.466 0.000 1.213 192 W CA 1.226 57.763 57.345 -1.347 0.000 1.203 192 W CB -1.188 27.678 29.460 -0.990 0.000 1.136 192 W HN 0.060 nan 8.180 nan 0.000 0.547 193 G N 0.999 109.087 108.800 -1.187 0.000 2.712 193 G HA2 -0.152 3.809 3.960 0.002 0.000 0.212 193 G HA3 -0.152 3.809 3.960 0.002 0.000 0.212 193 G C 0.925 175.593 174.900 -0.386 0.000 1.142 193 G CA -0.037 44.456 45.100 -1.011 0.000 0.789 193 G HN 0.253 nan 8.290 nan 0.000 0.535 194 K N 0.440 120.719 120.400 -0.203 0.000 2.385 194 K HA 0.443 4.764 4.320 0.002 0.000 0.229 194 K C -1.411 175.280 176.600 0.150 0.000 1.089 194 K CA -0.657 55.623 56.287 -0.012 0.000 1.060 194 K CB 0.143 32.662 32.500 0.032 0.000 1.698 194 K HN 0.080 nan 8.250 nan 0.000 0.469 195 L N 2.920 124.220 121.223 0.129 0.000 2.349 195 L HA 0.339 4.680 4.340 0.002 0.000 0.278 195 L C -0.918 175.932 176.870 -0.035 0.000 0.996 195 L CA -0.393 54.535 54.840 0.147 0.000 0.825 195 L CB 1.730 43.953 42.059 0.272 0.000 1.243 195 L HN 0.373 nan 8.230 nan 0.000 0.412 196 Q N 3.810 123.527 119.800 -0.137 0.000 2.323 196 Q HA 0.419 4.760 4.340 0.002 0.000 0.257 196 Q C -1.526 174.112 176.000 -0.603 0.000 1.022 196 Q CA -0.047 55.509 55.803 -0.411 0.000 0.919 196 Q CB 0.872 29.272 28.738 -0.564 0.000 1.220 196 Q HN 0.541 nan 8.270 nan 0.000 0.427 197 V N 6.490 126.099 119.914 -0.508 0.000 2.333 197 V HA 0.351 4.472 4.120 0.002 0.000 0.274 197 V C -0.625 175.177 176.094 -0.488 0.000 1.028 197 V CA -0.490 61.561 62.300 -0.416 0.000 0.851 197 V CB 0.038 31.734 31.823 -0.211 0.000 1.000 197 V HN 0.631 nan 8.190 nan 0.000 0.456 198 F N 2.784 122.606 119.950 -0.213 0.000 2.405 198 F HA 0.366 4.894 4.527 0.002 0.000 0.355 198 F C 0.534 176.183 175.800 -0.251 0.000 1.121 198 F CA -1.118 56.755 58.000 -0.212 0.000 1.112 198 F CB 0.940 39.820 39.000 -0.200 0.000 1.126 198 F HN 0.416 nan 8.300 nan 0.000 0.481 199 D N 3.146 123.538 120.400 -0.014 0.000 2.365 199 D HA 0.413 5.054 4.640 0.002 0.000 0.237 199 D C 0.019 176.181 176.300 -0.229 0.000 1.190 199 D CA 0.064 53.988 54.000 -0.127 0.000 0.867 199 D CB 1.094 41.854 40.800 -0.066 0.000 1.050 199 D HN 0.612 nan 8.370 nan 0.000 0.491 200 A N 4.563 127.078 122.820 -0.509 0.000 2.676 200 A HA 0.180 4.501 4.320 0.002 0.000 0.297 200 A C 1.549 178.831 177.584 -0.503 0.000 1.132 200 A CA -0.407 51.060 52.037 -0.950 0.000 0.972 200 A CB 0.079 17.911 19.000 -1.947 0.000 1.197 200 A HN 0.545 nan 8.150 nan 0.000 0.524 201 R N 0.965 121.320 120.500 -0.242 0.000 2.235 201 R HA -0.054 4.287 4.340 0.002 0.000 0.213 201 R C 0.206 176.471 176.300 -0.059 0.000 1.059 201 R CA 1.169 57.203 56.100 -0.111 0.000 0.997 201 R CB 0.048 30.344 30.300 -0.006 0.000 0.884 201 R HN 0.658 nan 8.270 nan 0.000 0.462 202 D N -0.149 120.240 120.400 -0.018 0.000 2.881 202 D HA -0.020 4.621 4.640 0.002 0.000 0.240 202 D C -0.566 175.805 176.300 0.119 0.000 1.249 202 D CA -0.198 53.837 54.000 0.058 0.000 0.839 202 D CB -0.336 40.514 40.800 0.083 0.000 1.042 202 D HN -0.018 nan 8.370 nan 0.000 0.475 203 C N 1.199 120.538 119.300 0.065 0.000 2.319 203 C HA 0.495 4.956 4.460 0.002 0.000 0.335 203 C C 1.434 176.530 174.990 0.177 0.000 1.274 203 C CA -0.142 58.976 59.018 0.167 0.000 1.806 203 C CB 0.605 28.435 27.740 0.149 0.000 2.329 203 C HN 0.504 nan 8.230 nan 0.000 0.524 204 S N 2.161 118.025 115.700 0.274 0.000 2.666 204 S HA 0.273 4.744 4.470 0.002 0.000 0.239 204 S C 0.077 174.857 174.600 0.298 0.000 1.031 204 S CA 0.156 58.556 58.200 0.333 0.000 1.015 204 S CB -0.097 63.228 63.200 0.208 0.000 0.981 204 S HN 1.133 nan 8.310 nan 0.000 0.547 205 S N -0.153 115.711 115.700 0.273 0.000 2.556 205 S HA 0.804 5.275 4.470 0.002 0.000 0.271 205 S C 0.869 175.563 174.600 0.158 0.000 1.135 205 S CA -0.279 58.028 58.200 0.177 0.000 0.858 205 S CB 1.236 64.514 63.200 0.130 0.000 1.114 205 S HN 0.508 nan 8.310 nan 0.000 0.468 206 A N 1.340 124.224 122.820 0.106 0.000 1.986 206 A HA -0.175 4.146 4.320 0.002 0.000 0.220 206 A C 2.100 179.670 177.584 -0.022 0.000 1.171 206 A CA 2.076 54.153 52.037 0.067 0.000 0.640 206 A CB -1.070 18.021 19.000 0.150 0.000 0.811 206 A HN 0.954 nan 8.150 nan 0.000 0.451 207 Q N -0.604 119.271 119.800 0.124 0.000 2.167 207 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 207 Q C 1.848 177.866 176.000 0.029 0.000 0.970 207 Q CA 1.550 57.407 55.803 0.090 0.000 0.855 207 Q CB -0.112 28.760 28.738 0.224 0.000 0.911 207 Q HN 0.794 nan 8.270 nan 0.000 0.438 208 E N -0.023 120.227 120.200 0.083 0.000 2.072 208 E HA -0.157 4.194 4.350 0.002 0.000 0.191 208 E C 2.071 178.789 176.600 0.196 0.000 0.985 208 E CA 1.255 57.724 56.400 0.115 0.000 0.801 208 E CB -0.020 29.800 29.700 0.200 0.000 0.750 208 E HN 0.443 nan 8.360 nan 0.000 0.452 209 M N -0.041 119.658 119.600 0.164 0.000 2.108 209 M HA -0.174 4.307 4.480 0.002 0.000 0.261 209 M C 2.194 178.540 176.300 0.076 0.000 1.066 209 M CA 1.433 56.817 55.300 0.141 0.000 1.107 209 M CB -0.383 32.043 32.600 -0.291 0.000 1.356 209 M HN 0.133 nan 8.290 nan 0.000 0.406 210 F N 0.979 120.727 119.950 -0.336 0.000 2.161 210 F HA -0.247 4.281 4.527 0.002 0.000 0.300 210 F C 2.217 177.904 175.800 -0.187 0.000 1.089 210 F CA 1.746 59.484 58.000 -0.437 0.000 1.282 210 F CB -0.158 38.233 39.000 -1.014 0.000 1.010 210 F HN 0.045 nan 8.300 nan 0.000 0.485 211 T N -0.490 113.921 114.554 -0.238 0.000 2.737 211 T HA -0.188 4.163 4.350 0.002 0.000 0.265 211 T C 1.542 176.065 174.700 -0.296 0.000 1.038 211 T CA 1.723 63.632 62.100 -0.318 0.000 1.144 211 T CB -0.693 68.025 68.868 -0.250 0.000 0.866 211 T HN 0.332 nan 8.240 nan 0.000 0.434 212 Y N 1.210 121.448 120.300 -0.103 0.000 2.053 212 Y HA -0.141 4.410 4.550 0.002 0.000 0.277 212 Y C 2.384 178.209 175.900 -0.126 0.000 1.159 212 Y CA 1.146 59.189 58.100 -0.095 0.000 1.125 212 Y CB -0.426 38.075 38.460 0.068 0.000 0.969 212 Y HN 0.133 nan 8.280 nan 0.000 0.492 213 I N -1.314 119.321 120.570 0.109 0.000 2.248 213 I HA -0.398 3.773 4.170 0.002 0.000 0.248 213 I C 2.326 178.341 176.117 -0.169 0.000 1.107 213 I CA 1.123 62.407 61.300 -0.026 0.000 1.373 213 I CB -0.529 37.440 38.000 -0.053 0.000 1.055 213 I HN 0.388 nan 8.210 nan 0.000 0.418 214 C N 0.612 119.693 119.300 -0.365 0.000 2.435 214 C HA -0.098 4.363 4.460 0.002 0.000 0.279 214 C C 2.586 177.458 174.990 -0.197 0.000 1.321 214 C CA 0.711 59.506 59.018 -0.373 0.000 1.752 214 C CB -1.337 26.042 27.740 -0.602 0.000 1.959 214 C HN 0.547 nan 8.230 nan 0.000 0.500 215 N N -0.164 118.418 118.700 -0.198 0.000 2.171 215 N HA -0.107 4.634 4.740 0.002 0.000 0.184 215 N C 1.470 176.905 175.510 -0.125 0.000 1.021 215 N CA 1.204 54.142 53.050 -0.187 0.000 0.854 215 N CB -0.740 37.567 38.487 -0.300 0.000 0.994 215 N HN 0.742 nan 8.380 nan 0.000 0.426 216 H N 1.008 119.933 119.070 -0.242 0.000 2.290 216 H HA 0.031 4.588 4.556 0.002 0.000 0.298 216 H C 2.167 177.543 175.328 0.080 0.000 1.087 216 H CA 1.543 57.549 56.048 -0.071 0.000 1.291 216 H CB -0.033 29.726 29.762 -0.005 0.000 1.369 216 H HN 0.062 nan 8.280 nan 0.000 0.492 217 I N 0.744 121.460 120.570 0.244 0.000 2.163 217 I HA -0.291 3.880 4.170 0.002 0.000 0.243 217 I C 2.458 178.658 176.117 0.138 0.000 1.085 217 I CA 1.497 62.899 61.300 0.170 0.000 1.347 217 I CB -0.293 37.721 38.000 0.023 0.000 1.044 217 I HN 0.345 nan 8.210 nan 0.000 0.408 218 K N -0.046 120.402 120.400 0.081 0.000 2.026 218 K HA -0.249 4.072 4.320 0.002 0.000 0.208 218 K C 2.257 178.912 176.600 0.093 0.000 1.048 218 K CA 1.895 58.218 56.287 0.060 0.000 0.929 218 K CB -0.450 32.064 32.500 0.023 0.000 0.713 218 K HN 0.260 nan 8.250 nan 0.000 0.439 219 Y N 1.362 121.692 120.300 0.049 0.000 2.163 219 Y HA -0.213 4.338 4.550 0.002 0.000 0.288 219 Y C 2.196 178.166 175.900 0.116 0.000 1.136 219 Y CA 1.384 59.544 58.100 0.100 0.000 1.147 219 Y CB -0.382 38.200 38.460 0.202 0.000 0.987 219 Y HN 0.054 nan 8.280 nan 0.000 0.509 220 A N -0.605 122.397 122.820 0.303 0.000 1.902 220 A HA -0.182 4.139 4.320 0.002 0.000 0.217 220 A C 2.205 179.860 177.584 0.118 0.000 1.181 220 A CA 2.369 54.549 52.037 0.239 0.000 0.623 220 A CB -1.310 17.898 19.000 0.347 0.000 0.818 220 A HN 0.523 nan 8.150 nan 0.000 0.443 221 T N -0.472 114.145 114.554 0.105 0.000 2.770 221 T HA -0.090 4.261 4.350 0.002 0.000 0.263 221 T C 0.988 175.695 174.700 0.011 0.000 1.039 221 T CA 0.880 63.027 62.100 0.078 0.000 1.142 221 T CB -0.535 68.380 68.868 0.078 0.000 0.868 221 T HN 0.745 nan 8.240 nan 0.000 0.435 222 N N 1.060 119.733 118.700 -0.044 0.000 2.705 222 N HA -0.296 4.445 4.740 0.002 0.000 0.255 222 N C -0.608 174.874 175.510 -0.046 0.000 1.008 222 N CA -0.037 52.961 53.050 -0.087 0.000 0.742 222 N CB -0.315 38.070 38.487 -0.169 0.000 0.906 222 N HN 0.175 nan 8.380 nan 0.000 0.541 223 R N -1.979 118.507 120.500 -0.022 0.000 3.863 223 R HA -0.219 4.122 4.340 0.002 0.000 0.313 223 R C 1.274 177.564 176.300 -0.017 0.000 1.202 223 R CA 1.654 57.743 56.100 -0.018 0.000 0.852 223 R CB -2.354 27.931 30.300 -0.025 0.000 1.292 223 R HN 1.115 nan 8.270 nan 0.000 0.519 224 G N -0.344 108.455 108.800 -0.002 0.000 2.201 224 G HA2 -0.313 3.648 3.960 0.002 0.000 0.212 224 G HA3 -0.313 3.648 3.960 0.002 0.000 0.212 224 G C 0.018 174.914 174.900 -0.006 0.000 0.994 224 G CA 0.180 45.283 45.100 0.005 0.000 0.644 224 G HN 0.470 nan 8.290 nan 0.000 0.508 225 N N 0.913 119.596 118.700 -0.028 0.000 3.194 225 N HA 0.463 5.204 4.740 0.002 0.000 0.271 225 N C 0.382 175.868 175.510 -0.041 0.000 1.308 225 N CA -0.746 52.267 53.050 -0.060 0.000 1.042 225 N CB -0.032 38.413 38.487 -0.070 0.000 1.310 225 N HN 0.138 nan 8.380 nan 0.000 0.502 226 L N 1.917 123.148 121.223 0.013 0.000 2.554 226 L HA 0.007 4.348 4.340 0.002 0.000 0.293 226 L C 0.634 177.615 176.870 0.185 0.000 1.252 226 L CA 1.131 56.048 54.840 0.128 0.000 0.862 226 L CB 0.159 42.385 42.059 0.279 0.000 1.113 226 L HN 0.370 nan 8.230 nan 0.000 0.510 227 R N 0.959 121.591 120.500 0.220 0.000 2.574 227 R HA 0.430 4.771 4.340 0.002 0.000 0.288 227 R C -0.845 175.634 176.300 0.297 0.000 1.004 227 R CA -0.717 55.543 56.100 0.267 0.000 0.895 227 R CB 1.764 32.106 30.300 0.069 0.000 1.191 227 R HN 0.578 nan 8.270 nan 0.000 0.444 228 S N 1.453 117.321 115.700 0.280 0.000 2.533 228 S HA 0.447 4.918 4.470 0.002 0.000 0.282 228 S C -0.257 174.369 174.600 0.043 0.000 1.304 228 S CA -0.261 57.988 58.200 0.082 0.000 1.063 228 S CB 1.145 64.339 63.200 -0.009 0.000 0.881 228 S HN 0.679 nan 8.310 nan 0.000 0.493 229 A N 2.976 125.771 122.820 -0.042 0.000 2.574 229 A HA 0.797 5.118 4.320 0.002 0.000 0.297 229 A C -1.117 176.425 177.584 -0.069 0.000 1.062 229 A CA -0.651 51.270 52.037 -0.193 0.000 0.686 229 A CB 1.193 19.991 19.000 -0.337 0.000 1.285 229 A HN 0.805 nan 8.150 nan 0.000 0.403 230 I N 0.691 121.218 120.570 -0.073 0.000 2.730 230 I HA 0.696 4.867 4.170 0.002 0.000 0.298 230 I C -1.009 175.188 176.117 0.133 0.000 1.089 230 I CA -0.226 61.168 61.300 0.157 0.000 1.041 230 I CB 2.456 40.517 38.000 0.102 0.000 1.235 230 I HN 0.618 nan 8.210 nan 0.000 0.423 231 T N 5.975 120.645 114.554 0.193 0.000 2.812 231 T HA 0.488 4.839 4.350 0.002 0.000 0.282 231 T C -0.919 173.606 174.700 -0.293 0.000 0.990 231 T CA -0.381 61.695 62.100 -0.040 0.000 0.960 231 T CB 1.691 70.517 68.868 -0.071 0.000 0.948 231 T HN 0.265 nan 8.240 nan 0.000 0.438 232 V N 4.731 124.392 119.914 -0.421 0.000 2.350 232 V HA 0.511 4.632 4.120 0.002 0.000 0.285 232 V C -0.530 175.293 176.094 -0.451 0.000 1.014 232 V CA -0.866 61.216 62.300 -0.364 0.000 0.831 232 V CB 0.202 31.794 31.823 -0.385 0.000 1.000 232 V HN 0.726 nan 8.190 nan 0.000 0.433 233 F N 4.695 124.580 119.950 -0.108 0.000 2.348 233 F HA 0.522 5.050 4.527 0.002 0.000 0.308 233 F C -1.808 173.893 175.800 -0.164 0.000 1.175 233 F CA -2.397 55.456 58.000 -0.244 0.000 1.080 233 F CB 0.107 38.955 39.000 -0.254 0.000 1.341 233 F HN 0.281 nan 8.300 nan 0.000 0.518 234 P HA -0.029 nan 4.420 nan 0.000 0.263 234 P C -0.907 176.354 177.300 -0.066 0.000 1.175 234 P CA -0.006 62.969 63.100 -0.207 0.000 0.761 234 P CB 0.189 31.562 31.700 -0.544 0.000 0.794 235 Q N 3.494 123.172 119.800 -0.204 0.000 2.584 235 Q HA 0.179 4.520 4.340 0.002 0.000 0.218 235 Q C -0.217 175.625 176.000 -0.262 0.000 1.079 235 Q CA -0.312 55.126 55.803 -0.608 0.000 1.008 235 Q CB 0.527 28.657 28.738 -1.015 0.000 1.267 235 Q HN 0.345 nan 8.270 nan 0.000 0.586 236 R N -0.383 119.947 120.500 -0.284 0.000 2.539 236 R HA 0.538 4.879 4.340 0.002 0.000 0.275 236 R C -0.809 175.421 176.300 -0.116 0.000 1.077 236 R CA 0.071 56.102 56.100 -0.115 0.000 1.097 236 R CB 0.992 31.230 30.300 -0.103 0.000 1.018 236 R HN 0.713 nan 8.270 nan 0.000 0.483 237 A N 3.694 126.490 122.820 -0.040 0.000 2.398 237 A HA 0.470 4.791 4.320 0.002 0.000 0.301 237 A C -2.539 175.037 177.584 -0.013 0.000 1.041 237 A CA -2.006 50.013 52.037 -0.030 0.000 0.711 237 A CB 1.433 20.439 19.000 0.010 0.000 1.240 237 A HN 0.405 nan 8.150 nan 0.000 0.420 238 P HA 0.136 nan 4.420 nan 0.000 0.259 238 P C 1.074 178.376 177.300 0.003 0.000 1.163 238 P CA 2.430 65.528 63.100 -0.005 0.000 0.760 238 P CB 0.395 32.096 31.700 0.000 0.000 0.762 239 G N 2.337 111.138 108.800 0.002 0.000 2.283 239 G HA2 -0.293 3.668 3.960 0.002 0.000 0.280 239 G HA3 -0.293 3.668 3.960 0.002 0.000 0.280 239 G C 0.110 175.012 174.900 0.004 0.000 1.029 239 G CA -0.063 45.040 45.100 0.004 0.000 0.840 239 G HN 0.730 nan 8.290 nan 0.000 0.505 240 R N -0.301 120.200 120.500 0.001 0.000 2.564 240 R HA 0.536 4.877 4.340 0.002 0.000 0.284 240 R C 0.726 177.020 176.300 -0.010 0.000 1.031 240 R CA -0.167 55.931 56.100 -0.003 0.000 0.904 240 R CB 1.032 31.337 30.300 0.009 0.000 1.199 240 R HN 0.495 nan 8.270 nan 0.000 0.443 241 G N 2.365 111.148 108.800 -0.028 0.000 2.484 241 G HA2 -0.010 3.951 3.960 0.002 0.000 0.235 241 G HA3 -0.010 3.951 3.960 0.002 0.000 0.235 241 G C -0.422 174.454 174.900 -0.041 0.000 1.282 241 G CA -0.210 44.871 45.100 -0.031 0.000 0.857 241 G HN 0.570 nan 8.290 nan 0.000 0.571 242 D N 0.145 120.547 120.400 0.004 0.000 2.304 242 D HA 0.285 4.926 4.640 0.002 0.000 0.247 242 D C 0.155 176.486 176.300 0.052 0.000 1.089 242 D CA 0.063 54.100 54.000 0.061 0.000 0.910 242 D CB 0.797 41.645 40.800 0.080 0.000 1.199 242 D HN 0.138 nan 8.370 nan 0.000 0.426 243 F N 1.599 121.567 119.950 0.029 0.000 2.429 243 F HA 0.288 4.816 4.527 0.002 0.000 0.348 243 F C 1.152 176.973 175.800 0.035 0.000 1.109 243 F CA 0.264 58.267 58.000 0.005 0.000 1.232 243 F CB 0.591 39.582 39.000 -0.015 0.000 1.157 243 F HN -0.150 nan 8.300 nan 0.000 0.564 244 R N 3.291 123.908 120.500 0.195 0.000 2.668 244 R HA 0.489 4.830 4.340 0.002 0.000 0.272 244 R C -1.388 175.044 176.300 0.220 0.000 1.019 244 R CA -0.812 55.420 56.100 0.221 0.000 0.894 244 R CB 2.078 32.557 30.300 0.298 0.000 1.228 244 R HN 0.602 nan 8.270 nan 0.000 0.460 245 I N 1.870 122.567 120.570 0.212 0.000 2.330 245 I HA 0.167 4.338 4.170 0.002 0.000 0.289 245 I C 0.542 176.863 176.117 0.339 0.000 1.001 245 I CA -0.476 60.943 61.300 0.198 0.000 1.193 245 I CB 1.202 39.266 38.000 0.106 0.000 1.345 245 I HN 0.520 nan 8.210 nan 0.000 0.461 246 W N 3.733 125.091 121.300 0.096 0.000 2.388 246 W HA -0.095 4.566 4.660 0.002 0.000 0.294 246 W C 1.025 177.670 176.519 0.209 0.000 1.212 246 W CA 0.270 57.743 57.345 0.213 0.000 1.271 246 W CB -0.728 28.848 29.460 0.194 0.000 1.126 246 W HN 0.420 nan 8.180 nan 0.000 0.535 247 N N -0.035 118.842 118.700 0.295 0.000 2.479 247 N HA -0.004 4.737 4.740 0.002 0.000 0.257 247 N C 1.353 176.931 175.510 0.114 0.000 1.232 247 N CA 0.907 54.051 53.050 0.157 0.000 0.920 247 N CB 0.652 39.174 38.487 0.058 0.000 1.105 247 N HN -0.091 nan 8.380 nan 0.000 0.444 248 S N 0.705 116.460 115.700 0.092 0.000 2.395 248 S HA -0.038 4.433 4.470 0.002 0.000 0.225 248 S C 0.417 175.019 174.600 0.004 0.000 1.027 248 S CA 0.679 58.919 58.200 0.067 0.000 0.965 248 S CB 0.050 63.306 63.200 0.093 0.000 0.812 248 S HN 0.639 nan 8.310 nan 0.000 0.482 249 Q N -0.660 119.130 119.800 -0.017 0.000 2.458 249 Q HA 0.528 4.869 4.340 0.002 0.000 0.282 249 Q C 0.345 176.272 176.000 -0.120 0.000 1.106 249 Q CA -0.566 55.191 55.803 -0.077 0.000 0.814 249 Q CB 1.920 30.641 28.738 -0.029 0.000 1.425 249 Q HN 0.145 nan 8.270 nan 0.000 0.437 250 L N 0.176 121.300 121.223 -0.165 0.000 2.217 250 L HA 0.042 4.383 4.340 0.002 0.000 0.211 250 L C 0.167 176.901 176.870 -0.227 0.000 1.107 250 L CA 0.727 55.466 54.840 -0.169 0.000 0.783 250 L CB 0.338 42.284 42.059 -0.188 0.000 0.919 250 L HN 0.261 nan 8.230 nan 0.000 0.442 251 V N 0.339 120.034 119.914 -0.365 0.000 2.638 251 V HA 0.524 4.645 4.120 0.002 0.000 0.306 251 V C -0.495 175.084 176.094 -0.859 0.000 1.052 251 V CA -0.724 61.190 62.300 -0.643 0.000 0.885 251 V CB 2.004 33.306 31.823 -0.869 0.000 0.999 251 V HN 0.166 nan 8.190 nan 0.000 0.424 252 R N 2.879 122.972 120.500 -0.680 0.000 2.579 252 R HA 0.391 4.732 4.340 0.002 0.000 0.260 252 R C -2.003 174.120 176.300 -0.296 0.000 1.103 252 R CA -0.808 55.018 56.100 -0.457 0.000 0.942 252 R CB 2.052 32.257 30.300 -0.159 0.000 1.251 252 R HN 0.605 nan 8.270 nan 0.000 0.450 253 Y N 0.978 121.259 120.300 -0.033 0.000 2.319 253 Y HA 0.332 4.883 4.550 0.002 0.000 0.328 253 Y C 1.165 177.043 175.900 -0.037 0.000 1.133 253 Y CA -0.469 57.638 58.100 0.012 0.000 1.265 253 Y CB 0.686 39.230 38.460 0.140 0.000 1.218 253 Y HN 0.690 nan 8.280 nan 0.000 0.508 254 A N 2.095 124.946 122.820 0.051 0.000 2.507 254 A HA 0.466 4.787 4.320 0.002 0.000 0.235 254 A C 0.769 178.098 177.584 -0.424 0.000 1.070 254 A CA 0.361 52.268 52.037 -0.217 0.000 0.768 254 A CB -0.279 18.544 19.000 -0.295 0.000 1.011 254 A HN 0.977 nan 8.150 nan 0.000 0.502 255 G N 0.841 109.401 108.800 -0.400 0.000 2.744 255 G HA2 0.541 4.502 3.960 0.002 0.000 0.309 255 G HA3 0.541 4.502 3.960 0.002 0.000 0.309 255 G C -0.912 173.853 174.900 -0.225 0.000 1.328 255 G CA -0.289 44.630 45.100 -0.303 0.000 1.034 255 G HN 0.577 nan 8.290 nan 0.000 0.518 256 Y N 1.838 122.152 120.300 0.024 0.000 2.335 256 Y HA 0.412 4.963 4.550 0.002 0.000 0.339 256 Y C 1.065 176.962 175.900 -0.005 0.000 0.987 256 Y CA -1.147 56.965 58.100 0.019 0.000 1.140 256 Y CB 1.542 40.010 38.460 0.014 0.000 1.173 256 Y HN 0.180 nan 8.280 nan 0.000 0.486 257 R N 4.266 124.854 120.500 0.146 0.000 2.309 257 R HA 0.101 4.442 4.340 0.002 0.000 0.331 257 R C -0.091 176.245 176.300 0.060 0.000 1.116 257 R CA -0.008 56.137 56.100 0.075 0.000 0.970 257 R CB 0.428 30.759 30.300 0.052 0.000 1.024 257 R HN 0.838 nan 8.270 nan 0.000 0.472 258 Q N 1.385 121.213 119.800 0.046 0.000 2.225 258 Q HA -0.034 4.307 4.340 0.002 0.000 0.177 258 Q C 1.615 177.621 176.000 0.011 0.000 1.073 258 Q CA -0.495 55.322 55.803 0.024 0.000 1.134 258 Q CB 0.457 29.207 28.738 0.020 0.000 1.210 258 Q HN 0.524 nan 8.270 nan 0.000 0.599 259 Q N 1.295 121.096 119.800 0.002 0.000 1.906 259 Q HA -0.245 4.096 4.340 0.002 0.000 0.221 259 Q C 0.590 176.590 176.000 0.001 0.000 1.021 259 Q CA 2.111 57.913 55.803 -0.002 0.000 0.880 259 Q CB -1.273 27.462 28.738 -0.006 0.000 0.966 259 Q HN 0.801 nan 8.270 nan 0.000 0.418 260 D N 0.436 120.836 120.400 0.001 0.000 2.636 260 D HA 0.085 4.726 4.640 0.002 0.000 0.256 260 D C 1.014 177.317 176.300 0.005 0.000 1.280 260 D CA 0.834 54.835 54.000 0.002 0.000 0.910 260 D CB -0.930 39.870 40.800 0.001 0.000 1.045 260 D HN 0.721 nan 8.370 nan 0.000 0.472 261 G N 0.631 109.435 108.800 0.007 0.000 2.238 261 G HA2 -0.410 3.551 3.960 0.002 0.000 0.270 261 G HA3 -0.410 3.551 3.960 0.002 0.000 0.270 261 G C 0.722 175.629 174.900 0.011 0.000 0.977 261 G CA 1.058 46.164 45.100 0.010 0.000 0.639 261 G HN 0.769 nan 8.290 nan 0.000 0.544 262 S N -1.305 114.399 115.700 0.008 0.000 2.647 262 S HA 0.598 5.069 4.470 0.002 0.000 0.251 262 S C 0.177 174.778 174.600 0.003 0.000 1.320 262 S CA 0.294 58.496 58.200 0.004 0.000 0.968 262 S CB 1.645 64.845 63.200 0.000 0.000 1.005 262 S HN 1.184 nan 8.310 nan 0.000 0.576 263 V N 0.569 120.475 119.914 -0.014 0.000 2.733 263 V HA 0.529 4.650 4.120 0.002 0.000 0.306 263 V C -0.316 175.743 176.094 -0.058 0.000 1.084 263 V CA -0.770 61.514 62.300 -0.026 0.000 0.905 263 V CB 1.765 33.558 31.823 -0.050 0.000 1.010 263 V HN 0.918 nan 8.190 nan 0.000 0.424 264 R N 2.470 122.958 120.500 -0.019 0.000 2.294 264 R HA 0.714 5.055 4.340 0.002 0.000 0.319 264 R C 0.672 176.893 176.300 -0.132 0.000 0.984 264 R CA 0.938 57.021 56.100 -0.028 0.000 0.861 264 R CB 1.223 31.585 30.300 0.105 0.000 1.104 264 R HN 1.268 nan 8.270 nan 0.000 0.451 265 G N 3.005 111.634 108.800 -0.284 0.000 2.601 265 G HA2 -0.248 3.713 3.960 0.002 0.000 0.224 265 G HA3 -0.248 3.713 3.960 0.002 0.000 0.224 265 G C -1.241 173.250 174.900 -0.682 0.000 1.171 265 G CA 0.019 44.880 45.100 -0.399 0.000 1.009 265 G HN 0.618 nan 8.290 nan 0.000 0.589 266 D N 1.886 122.087 120.400 -0.332 0.000 2.454 266 D HA 0.610 5.251 4.640 0.002 0.000 0.225 266 D C -1.155 175.075 176.300 -0.116 0.000 1.081 266 D CA -1.990 51.889 54.000 -0.201 0.000 0.864 266 D CB 1.572 42.545 40.800 0.289 0.000 1.040 266 D HN -0.024 nan 8.370 nan 0.000 0.517 267 P HA -0.159 nan 4.420 nan 0.000 0.218 267 P C 0.913 178.228 177.300 0.025 0.000 1.146 267 P CA 1.140 64.210 63.100 -0.051 0.000 0.820 267 P CB 0.334 32.010 31.700 -0.040 0.000 0.778 268 A N -0.750 122.107 122.820 0.062 0.000 2.014 268 A HA -0.105 4.216 4.320 0.002 0.000 0.218 268 A C 1.572 179.211 177.584 0.091 0.000 1.163 268 A CA 1.244 53.343 52.037 0.102 0.000 0.652 268 A CB -0.815 18.266 19.000 0.135 0.000 0.808 268 A HN 0.162 nan 8.150 nan 0.000 0.449 269 N N -0.035 118.706 118.700 0.068 0.000 2.320 269 N HA 0.153 4.894 4.740 0.002 0.000 0.237 269 N C 0.988 176.502 175.510 0.007 0.000 1.129 269 N CA 0.087 53.163 53.050 0.045 0.000 0.854 269 N CB 0.772 39.284 38.487 0.041 0.000 1.083 269 N HN 0.200 nan 8.380 nan 0.000 0.504 270 V N 0.923 120.845 119.914 0.013 0.000 2.295 270 V HA -0.228 3.893 4.120 0.002 0.000 0.246 270 V C 2.463 178.567 176.094 0.016 0.000 1.049 270 V CA 1.780 64.087 62.300 0.010 0.000 1.024 270 V CB -0.207 31.629 31.823 0.021 0.000 0.648 270 V HN 0.387 nan 8.190 nan 0.000 0.447 271 E N -0.222 119.988 120.200 0.018 0.000 2.023 271 E HA -0.279 4.072 4.350 0.002 0.000 0.196 271 E C 2.176 178.713 176.600 -0.104 0.000 1.003 271 E CA 1.998 58.385 56.400 -0.022 0.000 0.809 271 E CB -0.257 29.464 29.700 0.034 0.000 0.755 271 E HN 0.432 nan 8.360 nan 0.000 0.449 272 I N 0.982 121.500 120.570 -0.087 0.000 2.335 272 I HA -0.231 3.940 4.170 0.002 0.000 0.251 272 I C 2.129 178.216 176.117 -0.051 0.000 1.129 272 I CA 1.662 62.891 61.300 -0.118 0.000 1.402 272 I CB -0.476 37.513 38.000 -0.019 0.000 1.069 272 I HN 0.132 nan 8.210 nan 0.000 0.424 273 T N 0.300 114.849 114.554 -0.009 0.000 2.833 273 T HA -0.151 4.200 4.350 0.002 0.000 0.269 273 T C 1.715 176.503 174.700 0.146 0.000 1.054 273 T CA 1.630 63.770 62.100 0.067 0.000 1.135 273 T CB -0.203 68.699 68.868 0.056 0.000 0.869 273 T HN 0.502 nan 8.240 nan 0.000 0.466 274 E N 0.406 120.648 120.200 0.070 0.000 2.216 274 E HA 0.071 4.422 4.350 0.002 0.000 0.192 274 E C 2.106 178.722 176.600 0.027 0.000 0.988 274 E CA 0.468 56.906 56.400 0.063 0.000 0.834 274 E CB -0.081 29.631 29.700 0.019 0.000 0.772 274 E HN 0.424 nan 8.360 nan 0.000 0.479 275 L N 0.239 121.449 121.223 -0.023 0.000 2.109 275 L HA -0.160 4.181 4.340 0.002 0.000 0.207 275 L C 2.430 179.395 176.870 0.158 0.000 1.086 275 L CA 0.577 55.426 54.840 0.015 0.000 0.760 275 L CB -0.225 41.802 42.059 -0.053 0.000 0.910 275 L HN 0.290 nan 8.230 nan 0.000 0.437 276 C N -0.083 119.302 119.300 0.142 0.000 2.453 276 C HA -0.112 4.349 4.460 0.002 0.000 0.277 276 C C 2.669 177.830 174.990 0.284 0.000 1.262 276 C CA 0.302 59.428 59.018 0.179 0.000 1.718 276 C CB -0.548 27.213 27.740 0.035 0.000 2.031 276 C HN 0.418 nan 8.230 nan 0.000 0.480 277 I N 1.008 121.767 120.570 0.315 0.000 2.361 277 I HA -0.263 3.908 4.170 0.002 0.000 0.251 277 I C 2.758 178.928 176.117 0.088 0.000 1.133 277 I CA 1.566 63.011 61.300 0.241 0.000 1.413 277 I CB -0.596 37.514 38.000 0.183 0.000 1.073 277 I HN 0.525 nan 8.210 nan 0.000 0.424 278 Q N 0.289 120.103 119.800 0.024 0.000 2.297 278 Q HA -0.181 4.160 4.340 0.002 0.000 0.204 278 Q C 1.379 177.237 176.000 -0.238 0.000 0.962 278 Q CA 1.213 56.942 55.803 -0.124 0.000 0.879 278 Q CB 0.113 28.733 28.738 -0.197 0.000 0.947 278 Q HN 0.562 nan 8.270 nan 0.000 0.462 279 H N -1.279 117.797 119.070 0.009 0.000 2.505 279 H HA 0.242 4.799 4.556 0.002 0.000 0.289 279 H C 0.541 175.859 175.328 -0.016 0.000 1.052 279 H CA 0.674 56.703 56.048 -0.032 0.000 1.156 279 H CB 1.117 30.827 29.762 -0.087 0.000 1.507 279 H HN 0.507 nan 8.280 nan 0.000 0.548 280 G N 0.808 109.659 108.800 0.085 0.000 2.134 280 G HA2 -0.232 3.729 3.960 0.002 0.000 0.209 280 G HA3 -0.232 3.729 3.960 0.002 0.000 0.209 280 G C -0.181 174.789 174.900 0.116 0.000 0.993 280 G CA -0.011 45.125 45.100 0.060 0.000 0.669 280 G HN 0.378 nan 8.290 nan 0.000 0.519 281 W N 1.987 123.275 121.300 -0.019 0.000 2.261 281 W HA 0.653 5.314 4.660 0.002 0.000 0.323 281 W C 0.289 176.801 176.519 -0.011 0.000 1.243 281 W CA 0.015 57.351 57.345 -0.015 0.000 1.210 281 W CB 0.996 30.462 29.460 0.011 0.000 1.149 281 W HN 0.064 nan 8.180 nan 0.000 0.562 282 T N 9.268 123.399 114.554 -0.705 0.000 2.875 282 T HA 0.172 4.523 4.350 0.002 0.000 0.307 282 T C -1.991 171.886 174.700 -1.372 0.000 1.013 282 T CA -0.893 60.767 62.100 -0.734 0.000 0.970 282 T CB 0.076 68.696 68.868 -0.413 0.000 0.986 282 T HN 0.245 nan 8.240 nan 0.000 0.536 283 P HA 0.257 nan 4.420 nan 0.000 0.271 283 P C 0.427 177.271 177.300 -0.760 0.000 1.244 283 P CA -0.171 62.148 63.100 -1.302 0.000 0.793 283 P CB 0.809 32.117 31.700 -0.654 0.000 0.984 284 G N 0.205 108.713 108.800 -0.486 0.000 2.990 284 G HA2 0.339 4.300 3.960 0.002 0.000 0.208 284 G HA3 0.339 4.300 3.960 0.002 0.000 0.208 284 G C 0.105 174.741 174.900 -0.440 0.000 1.334 284 G CA -0.592 44.355 45.100 -0.256 0.000 1.024 284 G HN 0.696 nan 8.290 nan 0.000 0.574 285 N N -0.447 118.161 118.700 -0.153 0.000 2.387 285 N HA 0.213 4.954 4.740 0.002 0.000 0.259 285 N C 0.249 175.812 175.510 0.090 0.000 1.369 285 N CA -0.135 52.839 53.050 -0.128 0.000 0.867 285 N CB 1.125 39.539 38.487 -0.123 0.000 1.341 285 N HN 0.638 nan 8.380 nan 0.000 0.495 286 G N 0.454 109.399 108.800 0.242 0.000 2.489 286 G HA2 0.401 4.362 3.960 0.002 0.000 0.327 286 G HA3 0.401 4.362 3.960 0.002 0.000 0.327 286 G C 0.595 175.580 174.900 0.142 0.000 1.189 286 G CA -0.690 44.521 45.100 0.184 0.000 0.962 286 G HN 0.062 nan 8.290 nan 0.000 0.486 287 R N -0.389 120.084 120.500 -0.044 0.000 2.062 287 R HA 0.021 4.362 4.340 0.002 0.000 0.229 287 R C 0.331 176.335 176.300 -0.495 0.000 1.128 287 R CA 1.056 56.955 56.100 -0.334 0.000 0.960 287 R CB -0.098 29.848 30.300 -0.591 0.000 0.855 287 R HN 0.442 nan 8.270 nan 0.000 0.432 288 F N 1.805 121.695 119.950 -0.100 0.000 2.753 288 F HA 0.228 4.756 4.527 0.002 0.000 0.314 288 F C -0.432 175.218 175.800 -0.250 0.000 1.215 288 F CA -0.752 56.881 58.000 -0.612 0.000 1.243 288 F CB 0.235 38.625 39.000 -1.016 0.000 1.400 288 F HN -0.257 nan 8.300 nan 0.000 0.548 289 D N 1.590 122.094 120.400 0.173 0.000 2.380 289 D HA 0.120 4.761 4.640 0.002 0.000 0.230 289 D C 0.179 176.707 176.300 0.379 0.000 1.154 289 D CA 0.059 54.251 54.000 0.320 0.000 0.859 289 D CB 1.857 42.921 40.800 0.439 0.000 1.045 289 D HN -0.034 nan 8.370 nan 0.000 0.495 290 V N 4.232 124.366 119.914 0.366 0.000 2.506 290 V HA -0.125 3.996 4.120 0.002 0.000 0.296 290 V C 1.138 177.254 176.094 0.036 0.000 1.004 290 V CA 0.241 62.658 62.300 0.196 0.000 1.150 290 V CB -0.369 31.528 31.823 0.122 0.000 0.911 290 V HN 0.347 nan 8.190 nan 0.000 0.476 291 L N 8.864 130.016 121.223 -0.118 0.000 2.464 291 L HA 0.319 4.660 4.340 0.002 0.000 0.264 291 L C -1.500 175.132 176.870 -0.396 0.000 1.199 291 L CA -1.173 53.441 54.840 -0.376 0.000 0.818 291 L CB 0.672 42.549 42.059 -0.303 0.000 1.102 291 L HN 0.485 nan 8.230 nan 0.000 0.473 292 P HA 0.271 nan 4.420 nan 0.000 0.281 292 P C -1.278 175.883 177.300 -0.230 0.000 1.281 292 P CA -0.581 62.275 63.100 -0.408 0.000 0.811 292 P CB 1.148 32.462 31.700 -0.644 0.000 1.154 293 L N 0.945 122.126 121.223 -0.070 0.000 2.282 293 L HA 0.391 4.732 4.340 0.002 0.000 0.288 293 L C 0.351 177.242 176.870 0.036 0.000 1.033 293 L CA -0.673 54.178 54.840 0.017 0.000 0.807 293 L CB 0.800 42.930 42.059 0.119 0.000 1.209 293 L HN 0.192 nan 8.230 nan 0.000 0.423 294 L N 5.803 127.026 121.223 -0.000 0.000 2.360 294 L HA 0.404 4.745 4.340 0.002 0.000 0.265 294 L C -0.399 176.404 176.870 -0.112 0.000 1.066 294 L CA -0.278 54.495 54.840 -0.112 0.000 0.929 294 L CB 0.367 42.314 42.059 -0.187 0.000 1.306 294 L HN 0.457 nan 8.230 nan 0.000 0.434 295 L N 2.604 123.815 121.223 -0.021 0.000 2.350 295 L HA 0.444 4.785 4.340 0.002 0.000 0.275 295 L C 0.020 176.806 176.870 -0.141 0.000 1.099 295 L CA -0.223 54.587 54.840 -0.049 0.000 0.808 295 L CB 1.078 43.107 42.059 -0.051 0.000 1.149 295 L HN 0.552 nan 8.230 nan 0.000 0.442 296 Q N 2.228 121.947 119.800 -0.136 0.000 2.321 296 Q HA 0.678 5.019 4.340 0.002 0.000 0.270 296 Q C -1.308 174.609 176.000 -0.139 0.000 1.032 296 Q CA -0.661 55.039 55.803 -0.172 0.000 0.784 296 Q CB 2.281 30.916 28.738 -0.172 0.000 1.264 296 Q HN 0.802 nan 8.270 nan 0.000 0.448 297 A N 4.856 127.555 122.820 -0.203 0.000 2.293 297 A HA 0.668 4.989 4.320 0.002 0.000 0.302 297 A C -2.434 174.895 177.584 -0.425 0.000 1.119 297 A CA -1.677 50.114 52.037 -0.411 0.000 0.823 297 A CB 0.256 19.105 19.000 -0.252 0.000 1.097 297 A HN 0.637 nan 8.150 nan 0.000 0.491 298 P HA -0.071 nan 4.420 nan 0.000 0.263 298 P C -0.564 176.625 177.300 -0.187 0.000 1.162 298 P CA 0.838 63.714 63.100 -0.373 0.000 0.758 298 P CB 0.110 31.570 31.700 -0.400 0.000 0.773 299 D N 0.073 120.413 120.400 -0.100 0.000 2.739 299 D HA -0.221 4.420 4.640 0.002 0.000 0.230 299 D C -0.098 176.172 176.300 -0.049 0.000 1.167 299 D CA 1.255 55.227 54.000 -0.048 0.000 0.640 299 D CB -0.558 40.220 40.800 -0.037 0.000 1.045 299 D HN 0.476 nan 8.370 nan 0.000 0.421 300 E N -0.704 119.455 120.200 -0.068 0.000 2.292 300 E HA 0.559 4.910 4.350 0.002 0.000 0.272 300 E C -0.198 176.350 176.600 -0.087 0.000 0.881 300 E CA -0.749 55.608 56.400 -0.072 0.000 0.754 300 E CB 1.927 31.570 29.700 -0.094 0.000 1.201 300 E HN 0.172 nan 8.360 nan 0.000 0.425 301 A N 4.460 127.232 122.820 -0.079 0.000 2.561 301 A HA 0.257 4.578 4.320 0.002 0.000 0.234 301 A C -1.816 175.599 177.584 -0.282 0.000 1.055 301 A CA -0.568 51.389 52.037 -0.133 0.000 0.756 301 A CB -0.615 18.345 19.000 -0.068 0.000 0.986 301 A HN 0.297 nan 8.150 nan 0.000 0.505 302 P HA 0.118 nan 4.420 nan 0.000 0.271 302 P C -0.444 176.550 177.300 -0.509 0.000 1.238 302 P CA 0.183 62.880 63.100 -0.672 0.000 0.794 302 P CB 0.577 31.496 31.700 -1.302 0.000 0.959 303 E N -0.325 119.669 120.200 -0.344 0.000 2.256 303 E HA 0.452 4.803 4.350 0.002 0.000 0.267 303 E C -0.947 175.449 176.600 -0.339 0.000 0.892 303 E CA -1.082 55.135 56.400 -0.305 0.000 0.775 303 E CB 1.772 31.386 29.700 -0.143 0.000 1.207 303 E HN 0.234 nan 8.360 nan 0.000 0.420 304 L N 2.714 123.640 121.223 -0.495 0.000 2.289 304 L HA 0.471 4.812 4.340 0.002 0.000 0.285 304 L C -1.626 174.821 176.870 -0.704 0.000 1.049 304 L CA 0.040 54.643 54.840 -0.395 0.000 0.804 304 L CB 0.217 42.139 42.059 -0.229 0.000 1.195 304 L HN 0.394 nan 8.230 nan 0.000 0.428 305 F N 4.128 123.900 119.950 -0.297 0.000 2.557 305 F HA 0.501 5.029 4.527 0.002 0.000 0.316 305 F C -0.377 175.225 175.800 -0.330 0.000 1.141 305 F CA -0.861 56.836 58.000 -0.504 0.000 0.922 305 F CB 1.974 40.426 39.000 -0.913 0.000 1.194 305 F HN 0.037 nan 8.300 nan 0.000 0.443 306 V N 4.640 124.491 119.914 -0.105 0.000 2.407 306 V HA 0.310 4.431 4.120 0.002 0.000 0.278 306 V C 0.118 176.324 176.094 0.187 0.000 1.037 306 V CA -0.777 61.544 62.300 0.035 0.000 0.900 306 V CB 1.442 33.309 31.823 0.074 0.000 0.983 306 V HN 0.535 nan 8.190 nan 0.000 0.459 307 L N 7.106 128.457 121.223 0.213 0.000 2.360 307 L HA 0.282 4.623 4.340 0.002 0.000 0.276 307 L C -2.105 174.872 176.870 0.178 0.000 1.121 307 L CA -1.487 53.507 54.840 0.256 0.000 0.845 307 L CB 0.555 42.693 42.059 0.131 0.000 1.143 307 L HN 0.435 nan 8.230 nan 0.000 0.452 308 P HA 0.015 nan 4.420 nan 0.000 0.257 308 P C -1.949 175.403 177.300 0.086 0.000 1.189 308 P CA -0.765 62.410 63.100 0.125 0.000 0.780 308 P CB 0.300 32.064 31.700 0.107 0.000 0.772 309 P HA -0.279 nan 4.420 nan 0.000 0.218 309 P C 1.393 178.728 177.300 0.057 0.000 1.150 309 P CA 1.478 64.623 63.100 0.074 0.000 0.841 309 P CB -0.060 31.685 31.700 0.075 0.000 0.784 310 E N -0.700 119.529 120.200 0.049 0.000 2.072 310 E HA -0.110 4.241 4.350 0.002 0.000 0.190 310 E C 1.796 178.415 176.600 0.032 0.000 0.982 310 E CA 1.095 57.517 56.400 0.036 0.000 0.803 310 E CB -1.323 28.395 29.700 0.031 0.000 0.755 310 E HN 0.206 nan 8.360 nan 0.000 0.453 311 L N 1.326 122.568 121.223 0.032 0.000 2.201 311 L HA -0.045 4.296 4.340 0.002 0.000 0.212 311 L C 1.180 178.068 176.870 0.030 0.000 1.105 311 L CA 0.799 55.653 54.840 0.023 0.000 0.775 311 L CB -0.269 41.795 42.059 0.007 0.000 0.913 311 L HN -0.083 nan 8.230 nan 0.000 0.440 312 V N 1.845 121.780 119.914 0.035 0.000 2.267 312 V HA 0.122 4.243 4.120 0.002 0.000 0.254 312 V C 0.137 176.264 176.094 0.055 0.000 1.144 312 V CA -0.738 61.584 62.300 0.038 0.000 0.992 312 V CB 0.411 32.254 31.823 0.032 0.000 1.199 312 V HN 0.030 nan 8.190 nan 0.000 0.493 313 L N 5.223 126.482 121.223 0.061 0.000 2.410 313 L HA 0.391 4.732 4.340 0.002 0.000 0.273 313 L C 0.213 177.124 176.870 0.068 0.000 1.152 313 L CA 0.779 55.650 54.840 0.051 0.000 0.855 313 L CB 0.303 42.388 42.059 0.044 0.000 1.129 313 L HN 0.617 nan 8.230 nan 0.000 0.463 314 E N 3.325 123.544 120.200 0.031 0.000 2.336 314 E HA 0.584 4.935 4.350 0.002 0.000 0.267 314 E C -1.501 175.049 176.600 -0.084 0.000 0.906 314 E CA -1.032 55.385 56.400 0.028 0.000 0.781 314 E CB 2.475 32.222 29.700 0.078 0.000 1.261 314 E HN 0.376 nan 8.360 nan 0.000 0.436 315 V N 2.601 122.429 119.914 -0.144 0.000 2.448 315 V HA 0.336 4.457 4.120 0.002 0.000 0.295 315 V C -2.456 173.553 176.094 -0.142 0.000 1.025 315 V CA -2.014 60.130 62.300 -0.260 0.000 0.859 315 V CB 1.546 32.958 31.823 -0.686 0.000 0.988 315 V HN 0.516 nan 8.190 nan 0.000 0.431 316 P HA 0.383 nan 4.420 nan 0.000 0.286 316 P C -0.827 176.469 177.300 -0.008 0.000 1.269 316 P CA -0.251 62.812 63.100 -0.062 0.000 0.787 316 P CB 0.666 32.341 31.700 -0.043 0.000 0.920 317 L N 4.034 125.288 121.223 0.051 0.000 2.264 317 L HA 0.443 4.784 4.340 0.002 0.000 0.289 317 L C 1.061 178.115 176.870 0.307 0.000 1.044 317 L CA -0.128 54.819 54.840 0.179 0.000 0.807 317 L CB 0.514 42.733 42.059 0.266 0.000 1.192 317 L HN 0.486 nan 8.230 nan 0.000 0.425 318 E N 2.023 122.380 120.200 0.262 0.000 2.442 318 E HA 0.494 4.845 4.350 0.002 0.000 0.261 318 E C -1.241 175.393 176.600 0.057 0.000 0.935 318 E CA -0.969 55.605 56.400 0.290 0.000 0.856 318 E CB 2.249 32.066 29.700 0.195 0.000 1.571 318 E HN 0.415 nan 8.360 nan 0.000 0.431 319 H N 0.528 119.489 119.070 -0.181 0.000 2.679 319 H HA 0.219 4.776 4.556 0.002 0.000 0.360 319 H C -1.971 173.032 175.328 -0.542 0.000 1.105 319 H CA -2.183 53.585 56.048 -0.466 0.000 1.196 319 H CB 2.219 31.626 29.762 -0.591 0.000 1.636 319 H HN 0.353 nan 8.280 nan 0.000 0.531 320 P HA -0.169 nan 4.420 nan 0.000 0.217 320 P C 0.857 178.005 177.300 -0.253 0.000 1.151 320 P CA 2.248 64.890 63.100 -0.764 0.000 0.849 320 P CB 0.433 31.718 31.700 -0.693 0.000 0.787 321 T N -4.584 109.995 114.554 0.042 0.000 3.010 321 T HA 0.190 4.541 4.350 0.002 0.000 0.252 321 T C 0.964 175.618 174.700 -0.078 0.000 0.963 321 T CA -0.314 61.792 62.100 0.011 0.000 0.952 321 T CB -0.608 68.274 68.868 0.024 0.000 1.182 321 T HN -0.055 nan 8.240 nan 0.000 0.495 322 L N 4.424 125.513 121.223 -0.223 0.000 2.462 322 L HA 0.231 4.572 4.340 0.002 0.000 0.283 322 L C 2.151 178.635 176.870 -0.644 0.000 1.166 322 L CA -0.494 53.912 54.840 -0.723 0.000 0.964 322 L CB 0.245 41.420 42.059 -1.473 0.000 1.294 322 L HN 0.380 nan 8.230 nan 0.000 0.449 323 E N 4.492 124.480 120.200 -0.355 0.000 2.108 323 E HA -0.281 4.070 4.350 0.002 0.000 0.203 323 E C 1.663 178.193 176.600 -0.115 0.000 1.022 323 E CA 2.080 58.389 56.400 -0.152 0.000 0.823 323 E CB -0.491 29.203 29.700 -0.009 0.000 0.744 323 E HN 0.839 nan 8.360 nan 0.000 0.456 324 W N -0.110 121.227 121.300 0.060 0.000 2.611 324 W HA 0.033 4.694 4.660 0.002 0.000 0.251 324 W C 1.757 178.317 176.519 0.069 0.000 1.265 324 W CA 0.021 57.396 57.345 0.049 0.000 1.295 324 W CB -1.172 28.297 29.460 0.016 0.000 1.129 324 W HN -0.088 nan 8.180 nan 0.000 0.630 325 F N 3.039 122.725 119.950 -0.440 0.000 2.126 325 F HA -0.151 4.377 4.527 0.002 0.000 0.299 325 F C 2.691 178.516 175.800 0.042 0.000 1.096 325 F CA 3.056 60.933 58.000 -0.204 0.000 1.255 325 F CB -0.595 38.171 39.000 -0.391 0.000 0.997 325 F HN -0.076 nan 8.300 nan 0.000 0.479 326 A N 0.229 123.164 122.820 0.192 0.000 1.978 326 A HA -0.147 4.174 4.320 0.002 0.000 0.220 326 A C 2.404 180.028 177.584 0.066 0.000 1.170 326 A CA 1.711 53.832 52.037 0.141 0.000 0.636 326 A CB -1.542 17.529 19.000 0.118 0.000 0.810 326 A HN 0.510 nan 8.150 nan 0.000 0.448 327 A N 0.339 123.212 122.820 0.089 0.000 1.903 327 A HA -0.196 4.125 4.320 0.002 0.000 0.219 327 A C 2.048 179.655 177.584 0.038 0.000 1.191 327 A CA 1.742 53.828 52.037 0.083 0.000 0.638 327 A CB -0.853 18.230 19.000 0.140 0.000 0.823 327 A HN 0.577 nan 8.150 nan 0.000 0.451 328 L N -0.919 120.294 121.223 -0.017 0.000 2.351 328 L HA -0.092 4.249 4.340 0.002 0.000 0.220 328 L C 1.731 178.599 176.870 -0.003 0.000 1.127 328 L CA 0.607 55.414 54.840 -0.055 0.000 0.786 328 L CB -1.342 40.578 42.059 -0.231 0.000 0.914 328 L HN 0.652 nan 8.230 nan 0.000 0.443 329 G N 1.006 109.804 108.800 -0.003 0.000 2.323 329 G HA2 -0.279 3.682 3.960 0.002 0.000 0.292 329 G HA3 -0.279 3.682 3.960 0.002 0.000 0.292 329 G C 0.076 174.970 174.900 -0.010 0.000 1.040 329 G CA 0.051 45.162 45.100 0.019 0.000 0.942 329 G HN 0.278 nan 8.290 nan 0.000 0.506 330 L N -0.634 120.553 121.223 -0.061 0.000 2.421 330 L HA 0.840 5.181 4.340 0.002 0.000 0.263 330 L C 1.027 177.666 176.870 -0.385 0.000 1.122 330 L CA -0.871 53.846 54.840 -0.204 0.000 0.804 330 L CB 1.152 43.209 42.059 -0.002 0.000 1.150 330 L HN 0.588 nan 8.230 nan 0.000 0.457 331 R N 0.958 120.970 120.500 -0.815 0.000 2.692 331 R HA 0.500 4.841 4.340 0.002 0.000 0.269 331 R C -2.255 173.923 176.300 -0.203 0.000 1.030 331 R CA -0.960 54.858 56.100 -0.471 0.000 0.882 331 R CB 1.921 31.913 30.300 -0.513 0.000 1.250 331 R HN 0.703 nan 8.270 nan 0.000 0.465 332 W N 2.970 124.203 121.300 -0.112 0.000 3.296 332 W HA 0.303 4.964 4.660 0.002 0.000 0.314 332 W C -1.126 175.457 176.519 0.107 0.000 1.238 332 W CA -1.006 56.388 57.345 0.082 0.000 1.193 332 W CB 1.828 31.244 29.460 -0.074 0.000 1.383 332 W HN 0.726 nan 8.180 nan 0.000 0.545 333 Y N 1.512 121.646 120.300 -0.277 0.000 2.330 333 Y HA 0.496 5.047 4.550 0.002 0.000 0.341 333 Y C 0.766 176.851 175.900 0.308 0.000 1.278 333 Y CA 0.435 58.497 58.100 -0.064 0.000 1.453 333 Y CB 0.188 38.489 38.460 -0.265 0.000 1.342 333 Y HN 0.330 nan 8.280 nan 0.000 0.590 334 A N 1.647 124.727 122.820 0.434 0.000 2.044 334 A HA 0.148 4.469 4.320 0.002 0.000 0.213 334 A C 0.405 178.323 177.584 0.557 0.000 1.169 334 A CA 0.058 52.411 52.037 0.527 0.000 0.724 334 A CB -0.189 18.975 19.000 0.272 0.000 0.840 334 A HN 0.666 nan 8.150 nan 0.000 0.463 335 L N 2.500 124.006 121.223 0.472 0.000 2.259 335 L HA 0.399 4.740 4.340 0.002 0.000 0.288 335 L C -2.547 174.477 176.870 0.256 0.000 1.051 335 L CA -2.162 52.860 54.840 0.304 0.000 0.824 335 L CB 1.293 43.469 42.059 0.194 0.000 1.206 335 L HN -0.008 nan 8.230 nan 0.000 0.429 336 P HA 0.323 nan 4.420 nan 0.000 0.292 336 P C -1.348 175.880 177.300 -0.119 0.000 1.326 336 P CA -0.376 62.600 63.100 -0.207 0.000 0.787 336 P CB 1.485 32.662 31.700 -0.872 0.000 0.903 337 A N 4.483 127.243 122.820 -0.100 0.000 2.855 337 A HA 0.346 4.667 4.320 0.002 0.000 0.313 337 A C -0.148 177.238 177.584 -0.331 0.000 1.173 337 A CA -0.598 51.312 52.037 -0.213 0.000 0.753 337 A CB 0.429 19.317 19.000 -0.187 0.000 1.200 337 A HN 0.286 nan 8.150 nan 0.000 0.442 338 V N 2.302 121.915 119.914 -0.501 0.000 2.644 338 V HA 0.092 4.213 4.120 0.002 0.000 0.305 338 V C 1.334 177.040 176.094 -0.646 0.000 1.053 338 V CA 1.666 63.626 62.300 -0.567 0.000 1.186 338 V CB 0.806 32.178 31.823 -0.752 0.000 0.895 338 V HN 1.101 nan 8.190 nan 0.000 0.490 339 S N 1.428 116.940 115.700 -0.314 0.000 2.787 339 S HA 0.061 4.532 4.470 0.002 0.000 0.255 339 S C 0.791 175.364 174.600 -0.045 0.000 1.051 339 S CA 0.056 58.144 58.200 -0.186 0.000 1.124 339 S CB -0.375 62.761 63.200 -0.108 0.000 1.104 339 S HN 0.923 nan 8.310 nan 0.000 0.623 340 N N 0.476 119.161 118.700 -0.025 0.000 2.205 340 N HA 0.303 5.044 4.740 0.002 0.000 0.201 340 N C 0.342 175.911 175.510 0.099 0.000 1.128 340 N CA -0.472 52.609 53.050 0.052 0.000 0.867 340 N CB 0.051 38.572 38.487 0.057 0.000 0.996 340 N HN 0.262 nan 8.380 nan 0.000 0.503 341 M N 1.159 120.826 119.600 0.112 0.000 2.283 341 M HA 0.310 4.791 4.480 0.002 0.000 0.314 341 M C -0.525 175.928 176.300 0.255 0.000 1.153 341 M CA -0.814 54.611 55.300 0.208 0.000 1.084 341 M CB 2.014 34.771 32.600 0.262 0.000 1.468 341 M HN 0.135 nan 8.290 nan 0.000 0.474 342 L N 2.367 123.740 121.223 0.250 0.000 2.322 342 L HA 0.555 4.896 4.340 0.002 0.000 0.281 342 L C -1.512 175.504 176.870 0.244 0.000 1.014 342 L CA -0.983 53.993 54.840 0.227 0.000 0.815 342 L CB 1.358 43.497 42.059 0.134 0.000 1.247 342 L HN 0.569 nan 8.230 nan 0.000 0.421 343 L N 5.139 126.501 121.223 0.232 0.000 2.264 343 L HA 0.467 4.808 4.340 0.002 0.000 0.289 343 L C -0.499 176.402 176.870 0.051 0.000 1.044 343 L CA 0.288 55.136 54.840 0.013 0.000 0.807 343 L CB 1.119 43.154 42.059 -0.040 0.000 1.192 343 L HN 0.661 nan 8.230 nan 0.000 0.425 344 E N 6.774 126.909 120.200 -0.109 0.000 2.165 344 E HA 0.406 4.757 4.350 0.002 0.000 0.266 344 E C -1.624 174.881 176.600 -0.159 0.000 0.889 344 E CA -0.453 55.911 56.400 -0.060 0.000 0.756 344 E CB 1.095 30.756 29.700 -0.065 0.000 1.131 344 E HN 0.700 nan 8.360 nan 0.000 0.411 345 I N 1.962 122.452 120.570 -0.133 0.000 2.498 345 I HA 0.320 4.491 4.170 0.002 0.000 0.290 345 I C 0.846 176.775 176.117 -0.314 0.000 1.032 345 I CA -1.007 60.069 61.300 -0.373 0.000 1.073 345 I CB 2.069 39.721 38.000 -0.580 0.000 1.251 345 I HN 0.745 nan 8.210 nan 0.000 0.426 346 G N 4.212 112.843 108.800 -0.281 0.000 2.421 346 G HA2 -0.088 3.873 3.960 0.002 0.000 0.300 346 G HA3 -0.088 3.873 3.960 0.002 0.000 0.300 346 G C 1.087 176.072 174.900 0.142 0.000 0.974 346 G CA 0.968 46.107 45.100 0.065 0.000 1.062 346 G HN 1.599 nan 8.290 nan 0.000 0.514 347 G N -1.632 107.201 108.800 0.055 0.000 2.304 347 G HA2 -0.299 3.662 3.960 0.002 0.000 0.252 347 G HA3 -0.299 3.662 3.960 0.002 0.000 0.252 347 G C 0.684 175.574 174.900 -0.017 0.000 1.014 347 G CA 0.629 45.761 45.100 0.053 0.000 0.619 347 G HN 1.305 nan 8.290 nan 0.000 0.525 348 L N 0.782 121.961 121.223 -0.074 0.000 2.436 348 L HA 0.564 4.905 4.340 0.002 0.000 0.265 348 L C 0.497 177.228 176.870 -0.232 0.000 1.168 348 L CA -0.135 54.558 54.840 -0.244 0.000 0.815 348 L CB 0.763 42.591 42.059 -0.385 0.000 1.109 348 L HN 0.239 nan 8.230 nan 0.000 0.462 349 E N 1.680 121.644 120.200 -0.393 0.000 2.222 349 E HA 0.422 4.774 4.350 0.002 0.000 0.267 349 E C -1.554 174.736 176.600 -0.517 0.000 0.884 349 E CA -0.469 55.769 56.400 -0.271 0.000 0.764 349 E CB 2.026 31.640 29.700 -0.144 0.000 1.169 349 E HN 0.269 nan 8.360 nan 0.000 0.413 350 F N 1.784 121.709 119.950 -0.043 0.000 2.359 350 F HA 0.105 4.633 4.527 0.002 0.000 0.370 350 F C 1.419 177.259 175.800 0.066 0.000 1.077 350 F CA -0.528 57.472 58.000 0.001 0.000 1.136 350 F CB 1.259 40.247 39.000 -0.021 0.000 1.387 350 F HN 0.447 nan 8.300 nan 0.000 0.468 351 S N 1.353 117.145 115.700 0.153 0.000 2.469 351 S HA 0.087 4.558 4.470 0.002 0.000 0.238 351 S C 0.852 175.582 174.600 0.217 0.000 0.998 351 S CA 0.517 58.813 58.200 0.161 0.000 0.957 351 S CB -0.009 63.264 63.200 0.122 0.000 0.764 351 S HN 0.512 nan 8.310 nan 0.000 0.514 352 A N 0.484 123.475 122.820 0.286 0.000 2.646 352 A HA 0.809 5.130 4.320 0.002 0.000 0.312 352 A C -0.214 177.630 177.584 0.434 0.000 1.245 352 A CA -0.151 52.087 52.037 0.334 0.000 0.755 352 A CB 0.725 19.901 19.000 0.294 0.000 1.132 352 A HN 0.891 nan 8.150 nan 0.000 0.458 353 A N 4.096 127.115 122.820 0.331 0.000 3.127 353 A HA 0.696 5.017 4.320 0.002 0.000 0.319 353 A C -3.000 174.735 177.584 0.251 0.000 1.104 353 A CA -1.197 50.997 52.037 0.261 0.000 0.802 353 A CB 0.587 19.738 19.000 0.251 0.000 1.193 353 A HN 0.475 nan 8.150 nan 0.000 0.479 354 P HA 0.479 nan 4.420 nan 0.000 0.271 354 P C -0.888 176.439 177.300 0.044 0.000 1.216 354 P CA 0.255 63.325 63.100 -0.052 0.000 0.776 354 P CB 0.477 32.123 31.700 -0.089 0.000 0.881 355 F N -0.498 119.410 119.950 -0.071 0.000 2.588 355 F HA 0.761 5.289 4.527 0.002 0.000 0.310 355 F C -0.671 175.056 175.800 -0.122 0.000 1.082 355 F CA -1.158 56.796 58.000 -0.077 0.000 0.929 355 F CB 1.655 40.483 39.000 -0.286 0.000 1.254 355 F HN 0.403 nan 8.300 nan 0.000 0.455 356 S N 0.507 116.300 115.700 0.155 0.000 2.556 356 S HA 0.951 5.422 4.470 0.002 0.000 0.271 356 S C -0.744 173.827 174.600 -0.048 0.000 1.135 356 S CA -0.139 58.088 58.200 0.045 0.000 0.858 356 S CB 1.560 64.856 63.200 0.160 0.000 1.114 356 S HN 1.476 nan 8.310 nan 0.000 0.468 357 G N 0.091 108.821 108.800 -0.117 0.000 3.324 357 G HA2 0.707 4.668 3.960 0.002 0.000 0.188 357 G HA3 0.707 4.668 3.960 0.002 0.000 0.188 357 G C -1.522 173.404 174.900 0.043 0.000 1.384 357 G CA -0.185 44.791 45.100 -0.206 0.000 0.841 357 G HN 1.242 nan 8.290 nan 0.000 0.758 358 W N -1.115 120.182 121.300 -0.005 0.000 3.217 358 W HA 0.792 5.453 4.660 0.002 0.000 0.323 358 W C -1.708 174.796 176.519 -0.026 0.000 1.216 358 W CA -2.354 54.996 57.345 0.008 0.000 1.194 358 W CB 0.249 29.757 29.460 0.080 0.000 1.397 358 W HN 0.409 nan 8.180 nan 0.000 0.537 359 Y N 3.108 123.574 120.300 0.276 0.000 2.550 359 Y HA 0.178 4.729 4.550 0.002 0.000 0.343 359 Y C 0.919 176.861 175.900 0.070 0.000 1.245 359 Y CA -0.109 58.039 58.100 0.079 0.000 1.462 359 Y CB 0.826 39.222 38.460 -0.106 0.000 1.340 359 Y HN 0.518 nan 8.280 nan 0.000 0.604 360 M N 2.424 122.163 119.600 0.232 0.000 2.227 360 M HA 0.208 4.689 4.480 0.002 0.000 0.335 360 M C 1.034 177.333 176.300 -0.001 0.000 1.053 360 M CA -0.385 54.985 55.300 0.116 0.000 0.973 360 M CB 1.227 33.880 32.600 0.088 0.000 1.623 360 M HN 0.850 nan 8.290 nan 0.000 0.434 361 S N 1.648 117.303 115.700 -0.075 0.000 2.409 361 S HA -0.246 4.225 4.470 0.002 0.000 0.237 361 S C 1.468 175.954 174.600 -0.190 0.000 1.060 361 S CA 2.495 60.588 58.200 -0.180 0.000 1.052 361 S CB -1.526 61.613 63.200 -0.102 0.000 0.871 361 S HN 0.928 nan 8.310 nan 0.000 0.465 362 T N -0.337 114.140 114.554 -0.128 0.000 2.962 362 T HA 0.010 4.361 4.350 0.002 0.000 0.270 362 T C 1.562 176.129 174.700 -0.221 0.000 1.088 362 T CA 1.205 63.181 62.100 -0.208 0.000 1.127 362 T CB -0.555 68.150 68.868 -0.272 0.000 0.883 362 T HN 0.619 nan 8.240 nan 0.000 0.493 363 E N 0.649 120.742 120.200 -0.178 0.000 2.106 363 E HA 0.009 4.360 4.350 0.002 0.000 0.192 363 E C 1.948 178.336 176.600 -0.354 0.000 0.984 363 E CA 1.112 57.414 56.400 -0.162 0.000 0.806 363 E CB -0.195 29.537 29.700 0.054 0.000 0.750 363 E HN 0.602 nan 8.360 nan 0.000 0.458 364 I N -0.193 120.045 120.570 -0.554 0.000 2.364 364 I HA -0.031 4.140 4.170 0.002 0.000 0.241 364 I C 2.497 178.277 176.117 -0.561 0.000 1.082 364 I CA 0.821 61.607 61.300 -0.857 0.000 1.401 364 I CB -0.371 36.985 38.000 -1.073 0.000 1.126 364 I HN 0.085 nan 8.210 nan 0.000 0.429 365 G N -0.130 108.439 108.800 -0.385 0.000 2.471 365 G HA2 -0.128 3.833 3.960 0.002 0.000 0.219 365 G HA3 -0.128 3.833 3.960 0.002 0.000 0.219 365 G C 1.497 176.289 174.900 -0.180 0.000 1.125 365 G CA 1.344 46.306 45.100 -0.231 0.000 0.775 365 G HN 0.295 nan 8.290 nan 0.000 0.548 366 T N -0.392 114.035 114.554 -0.213 0.000 3.234 366 T HA 0.119 4.470 4.350 0.002 0.000 0.235 366 T C 2.474 177.073 174.700 -0.168 0.000 0.971 366 T CA 0.003 61.997 62.100 -0.176 0.000 1.292 366 T CB 0.120 68.865 68.868 -0.205 0.000 0.994 366 T HN -0.023 nan 8.240 nan 0.000 0.412 367 R N 2.122 122.505 120.500 -0.195 0.000 2.061 367 R HA 0.128 4.469 4.340 0.002 0.000 0.230 367 R C 2.135 178.328 176.300 -0.178 0.000 1.140 367 R CA 1.161 57.155 56.100 -0.177 0.000 0.940 367 R CB -1.171 29.023 30.300 -0.177 0.000 0.839 367 R HN 0.328 nan 8.270 nan 0.000 0.429 368 N N 0.893 119.448 118.700 -0.241 0.000 2.120 368 N HA -0.086 4.655 4.740 0.002 0.000 0.188 368 N C 1.972 177.404 175.510 -0.129 0.000 1.024 368 N CA 1.114 54.019 53.050 -0.242 0.000 0.852 368 N CB -0.220 37.883 38.487 -0.640 0.000 1.003 368 N HN 0.194 nan 8.380 nan 0.000 0.424 369 L N -0.775 120.336 121.223 -0.187 0.000 2.354 369 L HA 0.097 4.438 4.340 0.002 0.000 0.212 369 L C 1.345 178.242 176.870 0.044 0.000 1.091 369 L CA 0.365 55.184 54.840 -0.035 0.000 0.828 369 L CB 0.207 42.223 42.059 -0.072 0.000 0.973 369 L HN 0.137 nan 8.230 nan 0.000 0.461 370 C N -1.589 117.700 119.300 -0.017 0.000 3.070 370 C HA 0.192 4.653 4.460 0.002 0.000 0.280 370 C C 0.644 175.627 174.990 -0.012 0.000 1.264 370 C CA -0.917 58.104 59.018 0.005 0.000 1.690 370 C CB -0.399 27.332 27.740 -0.016 0.000 2.049 370 C HN 0.274 nan 8.230 nan 0.000 0.636 371 D N 3.145 123.508 120.400 -0.062 0.000 2.455 371 D HA 0.060 4.701 4.640 0.002 0.000 0.241 371 D C -1.033 175.253 176.300 -0.024 0.000 1.138 371 D CA -1.392 52.552 54.000 -0.094 0.000 0.877 371 D CB 0.792 41.389 40.800 -0.338 0.000 1.187 371 D HN 0.193 nan 8.370 nan 0.000 0.451 372 P HA -0.156 nan 4.420 nan 0.000 0.220 372 P C 0.600 177.992 177.300 0.153 0.000 1.148 372 P CA 1.268 64.445 63.100 0.128 0.000 0.803 372 P CB 0.050 31.837 31.700 0.144 0.000 0.782 373 H N -2.382 116.703 119.070 0.025 0.000 2.505 373 H HA 0.378 4.935 4.556 0.002 0.000 0.289 373 H C 0.882 176.227 175.328 0.028 0.000 1.052 373 H CA -0.416 55.644 56.048 0.020 0.000 1.156 373 H CB 0.002 29.774 29.762 0.017 0.000 1.507 373 H HN -0.040 nan 8.280 nan 0.000 0.548 374 R N -0.107 120.307 120.500 -0.142 0.000 3.006 374 R HA 0.179 4.520 4.340 0.002 0.000 0.150 374 R C 0.914 177.213 176.300 -0.002 0.000 1.285 374 R CA -0.712 55.352 56.100 -0.061 0.000 0.813 374 R CB -0.854 29.425 30.300 -0.035 0.000 1.582 374 R HN 0.080 nan 8.270 nan 0.000 0.441 375 Y N 1.775 122.089 120.300 0.023 0.000 2.574 375 Y HA -0.083 4.468 4.550 0.002 0.000 0.294 375 Y C 0.702 176.628 175.900 0.045 0.000 1.142 375 Y CA 0.746 58.876 58.100 0.051 0.000 1.314 375 Y CB -0.577 37.953 38.460 0.117 0.000 0.991 375 Y HN 0.479 nan 8.280 nan 0.000 0.555 376 N N 1.160 119.947 118.700 0.145 0.000 2.700 376 N HA -0.243 4.498 4.740 0.002 0.000 0.265 376 N C 0.357 175.949 175.510 0.137 0.000 0.975 376 N CA 0.836 53.952 53.050 0.111 0.000 0.800 376 N CB -1.244 37.291 38.487 0.080 0.000 0.908 376 N HN 0.678 nan 8.380 nan 0.000 0.551 377 I N -3.073 117.596 120.570 0.164 0.000 3.812 377 I HA 0.099 4.270 4.170 0.002 0.000 0.320 377 I C 1.450 177.669 176.117 0.170 0.000 1.276 377 I CA -0.452 60.947 61.300 0.164 0.000 1.164 377 I CB -0.057 38.053 38.000 0.182 0.000 1.009 377 I HN 0.105 nan 8.210 nan 0.000 0.431 378 L N 1.637 122.967 121.223 0.178 0.000 2.012 378 L HA -0.201 4.140 4.340 0.002 0.000 0.210 378 L C 2.513 179.589 176.870 0.344 0.000 1.073 378 L CA 2.054 57.033 54.840 0.232 0.000 0.748 378 L CB -0.847 41.323 42.059 0.186 0.000 0.891 378 L HN 0.487 nan 8.230 nan 0.000 0.431 379 E N -1.012 119.375 120.200 0.313 0.000 2.047 379 E HA -0.220 4.131 4.350 0.002 0.000 0.191 379 E C 1.793 178.431 176.600 0.063 0.000 0.987 379 E CA 1.241 57.754 56.400 0.189 0.000 0.799 379 E CB 0.011 29.750 29.700 0.064 0.000 0.752 379 E HN 0.504 nan 8.360 nan 0.000 0.449 380 D N 0.199 120.636 120.400 0.062 0.000 2.177 380 D HA -0.214 4.427 4.640 0.002 0.000 0.189 380 D C 2.091 178.398 176.300 0.012 0.000 1.002 380 D CA 1.807 55.815 54.000 0.014 0.000 0.845 380 D CB -0.496 40.325 40.800 0.034 0.000 0.960 380 D HN 0.135 nan 8.370 nan 0.000 0.447 381 V N 1.772 121.754 119.914 0.113 0.000 2.324 381 V HA -0.285 3.836 4.120 0.002 0.000 0.250 381 V C 2.622 178.811 176.094 0.158 0.000 1.060 381 V CA 1.993 64.417 62.300 0.207 0.000 1.042 381 V CB -0.919 31.108 31.823 0.341 0.000 0.650 381 V HN 0.226 nan 8.190 nan 0.000 0.450 382 A N -0.205 122.716 122.820 0.168 0.000 1.902 382 A HA -0.158 4.163 4.320 0.002 0.000 0.217 382 A C 2.385 179.948 177.584 -0.036 0.000 1.181 382 A CA 2.174 54.301 52.037 0.150 0.000 0.623 382 A CB -0.665 18.489 19.000 0.258 0.000 0.818 382 A HN 0.366 nan 8.150 nan 0.000 0.443 383 V N -0.925 118.917 119.914 -0.121 0.000 2.358 383 V HA -0.296 3.825 4.120 0.002 0.000 0.246 383 V C 2.621 178.562 176.094 -0.256 0.000 1.047 383 V CA 1.924 64.111 62.300 -0.188 0.000 1.035 383 V CB -1.214 30.498 31.823 -0.184 0.000 0.658 383 V HN 0.697 nan 8.190 nan 0.000 0.452 384 C N -0.211 118.873 119.300 -0.360 0.000 2.413 384 C HA -0.158 4.303 4.460 0.002 0.000 0.277 384 C C 2.673 177.223 174.990 -0.733 0.000 1.265 384 C CA 1.073 59.634 59.018 -0.763 0.000 1.752 384 C CB -1.024 25.960 27.740 -1.261 0.000 1.998 384 C HN 0.526 nan 8.230 nan 0.000 0.489 385 M N 0.235 119.656 119.600 -0.299 0.000 2.659 385 M HA 0.017 4.498 4.480 0.002 0.000 0.243 385 M C 0.434 176.716 176.300 -0.030 0.000 1.111 385 M CA 0.810 56.111 55.300 0.002 0.000 1.070 385 M CB -0.458 32.255 32.600 0.188 0.000 1.525 385 M HN 0.275 nan 8.290 nan 0.000 0.517 386 D N 1.889 122.218 120.400 -0.119 0.000 2.737 386 D HA -0.165 4.476 4.640 0.002 0.000 0.238 386 D C -1.215 175.058 176.300 -0.045 0.000 1.157 386 D CA 0.570 54.514 54.000 -0.094 0.000 0.694 386 D CB -0.935 39.820 40.800 -0.075 0.000 1.021 386 D HN 0.318 nan 8.370 nan 0.000 0.420 387 L N 0.500 121.694 121.223 -0.049 0.000 2.334 387 L HA 0.350 4.691 4.340 0.002 0.000 0.272 387 L C 1.025 177.842 176.870 -0.088 0.000 1.020 387 L CA -0.976 53.861 54.840 -0.005 0.000 0.812 387 L CB 1.254 43.376 42.059 0.105 0.000 1.264 387 L HN 0.004 nan 8.230 nan 0.000 0.439 388 D N 1.430 121.812 120.400 -0.029 0.000 2.541 388 D HA -0.049 4.592 4.640 0.002 0.000 0.231 388 D C 1.137 177.324 176.300 -0.188 0.000 1.163 388 D CA -0.008 53.952 54.000 -0.066 0.000 1.077 388 D CB 0.482 41.295 40.800 0.022 0.000 1.110 388 D HN 0.636 nan 8.370 nan 0.000 0.499 389 T N -0.110 114.124 114.554 -0.533 0.000 3.361 389 T HA -0.027 4.324 4.350 0.002 0.000 0.251 389 T C 1.552 175.951 174.700 -0.500 0.000 1.131 389 T CA -0.048 61.311 62.100 -1.234 0.000 1.001 389 T CB 0.129 68.131 68.868 -1.443 0.000 1.003 389 T HN 0.252 nan 8.240 nan 0.000 0.558 390 R N 0.566 120.948 120.500 -0.196 0.000 2.064 390 R HA 0.006 4.347 4.340 0.002 0.000 0.228 390 R C 1.077 177.412 176.300 0.058 0.000 1.144 390 R CA 1.282 57.347 56.100 -0.057 0.000 0.932 390 R CB -0.564 29.715 30.300 -0.034 0.000 0.833 390 R HN 0.429 nan 8.270 nan 0.000 0.429 391 T N -1.513 113.115 114.554 0.124 0.000 2.952 391 T HA 0.157 4.508 4.350 0.002 0.000 0.286 391 T C 1.166 176.040 174.700 0.291 0.000 1.024 391 T CA -0.095 62.105 62.100 0.167 0.000 1.029 391 T CB 1.774 70.706 68.868 0.106 0.000 1.094 391 T HN 0.468 nan 8.240 nan 0.000 0.515 392 T N -0.075 114.595 114.554 0.194 0.000 2.851 392 T HA -0.071 4.280 4.350 0.002 0.000 0.262 392 T C 2.103 176.838 174.700 0.060 0.000 1.043 392 T CA 1.371 63.538 62.100 0.113 0.000 1.140 392 T CB -0.911 67.979 68.868 0.036 0.000 0.872 392 T HN 0.653 nan 8.240 nan 0.000 0.446 393 S N 2.323 118.064 115.700 0.067 0.000 2.571 393 S HA -0.088 4.383 4.470 0.002 0.000 0.245 393 S C 2.004 176.643 174.600 0.066 0.000 0.976 393 S CA 0.899 59.127 58.200 0.047 0.000 0.954 393 S CB -1.025 62.200 63.200 0.042 0.000 0.756 393 S HN 0.779 nan 8.310 nan 0.000 0.535 394 S N 1.348 117.122 115.700 0.123 0.000 2.558 394 S HA 0.280 4.751 4.470 0.002 0.000 0.217 394 S C 0.901 175.575 174.600 0.123 0.000 0.975 394 S CA 0.018 58.303 58.200 0.142 0.000 0.912 394 S CB -0.896 62.430 63.200 0.210 0.000 0.776 394 S HN 0.606 nan 8.310 nan 0.000 0.526 395 L N 1.040 122.291 121.223 0.047 0.000 3.717 395 L HA -0.182 4.159 4.340 0.002 0.000 0.414 395 L C 1.663 178.520 176.870 -0.021 0.000 1.228 395 L CA 0.700 55.509 54.840 -0.052 0.000 0.918 395 L CB -2.502 39.546 42.059 -0.018 0.000 1.865 395 L HN 0.725 nan 8.230 nan 0.000 0.922 396 W N -0.002 121.310 121.300 0.021 0.000 2.363 396 W HA -0.139 4.522 4.660 0.001 0.000 0.296 396 W C 1.757 178.296 176.519 0.033 0.000 1.212 396 W CA 1.302 58.663 57.345 0.027 0.000 1.260 396 W CB -0.727 28.746 29.460 0.021 0.000 1.131 396 W HN 0.291 nan 8.180 nan 0.000 0.530 397 K N 1.190 121.167 120.400 -0.705 0.000 2.002 397 K HA -0.169 4.152 4.320 0.002 0.000 0.209 397 K C 1.548 178.013 176.600 -0.225 0.000 1.048 397 K CA 2.396 58.307 56.287 -0.626 0.000 0.930 397 K CB -0.510 31.448 32.500 -0.902 0.000 0.714 397 K HN 0.030 nan 8.250 nan 0.000 0.438 398 D N 0.830 121.110 120.400 -0.200 0.000 2.123 398 D HA -0.147 4.494 4.640 0.002 0.000 0.196 398 D C 1.743 178.029 176.300 -0.024 0.000 0.992 398 D CA 1.295 55.236 54.000 -0.098 0.000 0.833 398 D CB -0.034 40.715 40.800 -0.085 0.000 0.954 398 D HN 0.134 nan 8.370 nan 0.000 0.455 399 K N 0.216 120.625 120.400 0.016 0.000 2.057 399 K HA -0.047 4.274 4.320 0.002 0.000 0.207 399 K C 2.155 178.820 176.600 0.107 0.000 1.049 399 K CA 1.229 57.560 56.287 0.073 0.000 0.931 399 K CB -0.136 32.431 32.500 0.112 0.000 0.714 399 K HN 0.120 nan 8.250 nan 0.000 0.440 400 A N 1.069 123.972 122.820 0.138 0.000 1.968 400 A HA 0.009 4.330 4.320 0.002 0.000 0.217 400 A C 2.273 179.937 177.584 0.133 0.000 1.169 400 A CA 1.423 53.571 52.037 0.185 0.000 0.638 400 A CB -0.439 18.714 19.000 0.255 0.000 0.812 400 A HN 0.320 nan 8.150 nan 0.000 0.446 401 A N -0.271 122.585 122.820 0.061 0.000 1.902 401 A HA -0.022 4.299 4.320 0.002 0.000 0.217 401 A C 2.204 179.797 177.584 0.014 0.000 1.181 401 A CA 1.835 53.882 52.037 0.017 0.000 0.623 401 A CB -0.903 18.072 19.000 -0.042 0.000 0.818 401 A HN 0.365 nan 8.150 nan 0.000 0.443 402 V N 0.349 120.279 119.914 0.026 0.000 2.295 402 V HA -0.225 3.896 4.120 0.002 0.000 0.246 402 V C 2.589 178.706 176.094 0.037 0.000 1.049 402 V CA 2.143 64.462 62.300 0.031 0.000 1.024 402 V CB -0.782 31.068 31.823 0.046 0.000 0.648 402 V HN 0.519 nan 8.190 nan 0.000 0.447 403 E N 0.135 120.383 120.200 0.079 0.000 2.058 403 E HA -0.185 4.166 4.350 0.002 0.000 0.194 403 E C 2.146 178.747 176.600 0.001 0.000 0.997 403 E CA 1.479 57.942 56.400 0.106 0.000 0.801 403 E CB -0.439 29.369 29.700 0.179 0.000 0.746 403 E HN 0.596 nan 8.360 nan 0.000 0.450 404 I N 1.384 121.988 120.570 0.057 0.000 2.208 404 I HA -0.303 3.868 4.170 0.002 0.000 0.245 404 I C 1.858 177.942 176.117 -0.055 0.000 1.097 404 I CA 1.212 62.539 61.300 0.046 0.000 1.363 404 I CB -0.361 37.738 38.000 0.164 0.000 1.051 404 I HN 0.057 nan 8.210 nan 0.000 0.413 405 N N 0.425 119.095 118.700 -0.051 0.000 2.188 405 N HA -0.158 4.583 4.740 0.002 0.000 0.184 405 N C 1.703 177.162 175.510 -0.085 0.000 1.018 405 N CA 0.824 53.830 53.050 -0.074 0.000 0.858 405 N CB -0.166 38.292 38.487 -0.048 0.000 0.989 405 N HN 0.143 nan 8.380 nan 0.000 0.426 406 L N 0.893 122.055 121.223 -0.101 0.000 2.017 406 L HA -0.066 4.275 4.340 0.002 0.000 0.208 406 L C 2.054 178.794 176.870 -0.217 0.000 1.073 406 L CA 1.518 56.264 54.840 -0.155 0.000 0.745 406 L CB -0.871 41.057 42.059 -0.220 0.000 0.894 406 L HN 0.167 nan 8.230 nan 0.000 0.432 407 A N -1.283 121.337 122.820 -0.334 0.000 1.948 407 A HA -0.196 4.125 4.320 0.002 0.000 0.220 407 A C 2.242 179.762 177.584 -0.108 0.000 1.177 407 A CA 2.167 53.982 52.037 -0.371 0.000 0.636 407 A CB -1.109 17.410 19.000 -0.802 0.000 0.815 407 A HN 0.338 nan 8.150 nan 0.000 0.449 408 V N -0.184 119.685 119.914 -0.076 0.000 2.307 408 V HA -0.234 3.887 4.120 0.002 0.000 0.245 408 V C 2.540 178.667 176.094 0.055 0.000 1.045 408 V CA 1.863 64.168 62.300 0.009 0.000 1.024 408 V CB -0.805 30.941 31.823 -0.129 0.000 0.651 408 V HN 0.567 nan 8.190 nan 0.000 0.449 409 L N -0.418 120.790 121.223 -0.025 0.000 2.017 409 L HA -0.221 4.120 4.340 0.002 0.000 0.208 409 L C 2.646 179.542 176.870 0.044 0.000 1.073 409 L CA 2.210 57.046 54.840 -0.006 0.000 0.745 409 L CB -0.833 41.210 42.059 -0.026 0.000 0.894 409 L HN 0.464 nan 8.230 nan 0.000 0.432 410 H N -0.157 118.872 119.070 -0.068 0.000 2.290 410 H HA -0.157 4.400 4.556 0.002 0.000 0.298 410 H C 2.382 177.698 175.328 -0.020 0.000 1.087 410 H CA 2.065 58.064 56.048 -0.081 0.000 1.291 410 H CB -0.100 29.551 29.762 -0.184 0.000 1.369 410 H HN 0.144 nan 8.280 nan 0.000 0.492 411 S N -0.296 115.350 115.700 -0.091 0.000 2.359 411 S HA -0.179 4.292 4.470 0.002 0.000 0.223 411 S C 2.085 176.632 174.600 -0.089 0.000 1.039 411 S CA 1.545 59.682 58.200 -0.104 0.000 1.042 411 S CB -0.665 62.565 63.200 0.050 0.000 0.915 411 S HN 0.388 nan 8.310 nan 0.000 0.439 412 F N 1.455 121.338 119.950 -0.112 0.000 2.171 412 F HA -0.125 4.403 4.527 0.002 0.000 0.300 412 F C 2.827 178.566 175.800 -0.102 0.000 1.090 412 F CA 1.193 59.150 58.000 -0.073 0.000 1.293 412 F CB -0.260 38.721 39.000 -0.032 0.000 1.013 412 F HN 0.173 nan 8.300 nan 0.000 0.486 413 Q N -0.412 119.415 119.800 0.046 0.000 2.167 413 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 413 Q C 2.062 177.993 176.000 -0.115 0.000 0.970 413 Q CA 1.036 56.816 55.803 -0.038 0.000 0.855 413 Q CB -0.194 28.514 28.738 -0.050 0.000 0.911 413 Q HN 0.336 nan 8.270 nan 0.000 0.438 414 L N -0.436 120.653 121.223 -0.224 0.000 2.109 414 L HA 0.041 4.382 4.340 0.002 0.000 0.207 414 L C 1.725 178.505 176.870 -0.151 0.000 1.086 414 L CA 1.658 56.357 54.840 -0.236 0.000 0.760 414 L CB -0.394 41.428 42.059 -0.396 0.000 0.910 414 L HN 0.108 nan 8.230 nan 0.000 0.437 415 A N -1.311 121.417 122.820 -0.152 0.000 2.238 415 A HA 0.038 4.359 4.320 0.002 0.000 0.208 415 A C 0.904 178.428 177.584 -0.100 0.000 1.177 415 A CA 0.004 51.959 52.037 -0.136 0.000 0.804 415 A CB -0.505 18.375 19.000 -0.200 0.000 0.823 415 A HN 0.421 nan 8.150 nan 0.000 0.482 416 K N -0.739 119.615 120.400 -0.076 0.000 3.257 416 K HA -0.129 4.192 4.320 0.002 0.000 0.270 416 K C -0.876 175.704 176.600 -0.033 0.000 0.984 416 K CA 0.688 56.945 56.287 -0.050 0.000 0.739 416 K CB -1.961 30.508 32.500 -0.051 0.000 1.351 416 K HN 0.270 nan 8.250 nan 0.000 0.463 417 V N 0.683 120.598 119.914 0.003 0.000 2.680 417 V HA 0.203 4.324 4.120 0.002 0.000 0.309 417 V C 0.706 176.895 176.094 0.157 0.000 1.052 417 V CA -0.810 61.531 62.300 0.069 0.000 0.908 417 V CB 2.147 33.990 31.823 0.033 0.000 1.001 417 V HN 0.273 nan 8.190 nan 0.000 0.431 418 T N 5.572 120.178 114.554 0.087 0.000 2.928 418 T HA 0.499 4.850 4.350 0.002 0.000 0.305 418 T C -0.289 174.452 174.700 0.067 0.000 1.035 418 T CA 0.705 62.768 62.100 -0.062 0.000 1.145 418 T CB 0.140 68.819 68.868 -0.315 0.000 0.963 418 T HN 0.546 nan 8.240 nan 0.000 0.545 419 I N 2.123 122.662 120.570 -0.052 0.000 2.828 419 I HA 0.527 4.698 4.170 0.002 0.000 0.295 419 I C -1.655 174.462 176.117 0.001 0.000 1.459 419 I CA -0.886 60.410 61.300 -0.005 0.000 1.015 419 I CB 1.926 39.841 38.000 -0.141 0.000 1.345 419 I HN 0.427 nan 8.210 nan 0.000 0.449 420 V N 5.595 125.569 119.914 0.100 0.000 2.577 420 V HA 0.423 4.544 4.120 0.002 0.000 0.303 420 V C -1.002 175.133 176.094 0.067 0.000 1.042 420 V CA -0.320 62.049 62.300 0.115 0.000 0.872 420 V CB 2.152 34.142 31.823 0.279 0.000 0.998 420 V HN 0.862 nan 8.190 nan 0.000 0.423 421 D N 4.200 124.614 120.400 0.023 0.000 2.371 421 D HA 0.121 4.762 4.640 0.002 0.000 0.242 421 D C 1.275 177.553 176.300 -0.036 0.000 1.218 421 D CA 0.224 54.215 54.000 -0.016 0.000 0.945 421 D CB 0.414 41.171 40.800 -0.072 0.000 1.137 421 D HN 0.732 nan 8.370 nan 0.000 0.464 422 H N -0.551 118.459 119.070 -0.101 0.000 2.495 422 H HA -0.091 4.466 4.556 0.002 0.000 0.287 422 H C 0.912 176.155 175.328 -0.142 0.000 1.033 422 H CA 1.088 57.046 56.048 -0.150 0.000 1.307 422 H CB -0.431 29.187 29.762 -0.240 0.000 1.401 422 H HN 0.507 nan 8.280 nan 0.000 0.555 423 H N 1.156 120.015 119.070 -0.352 0.000 2.317 423 H HA 0.182 4.739 4.556 0.002 0.000 0.304 423 H C 2.525 177.823 175.328 -0.049 0.000 1.067 423 H CA 1.277 57.224 56.048 -0.169 0.000 1.352 423 H CB -0.269 29.366 29.762 -0.212 0.000 1.398 423 H HN 0.477 nan 8.280 nan 0.000 0.510 424 A N 1.502 124.370 122.820 0.079 0.000 1.908 424 A HA -0.135 4.186 4.320 0.002 0.000 0.218 424 A C 2.683 180.330 177.584 0.106 0.000 1.181 424 A CA 1.962 54.047 52.037 0.081 0.000 0.627 424 A CB -0.893 18.143 19.000 0.060 0.000 0.818 424 A HN 0.436 nan 8.150 nan 0.000 0.445 425 A N -0.291 122.589 122.820 0.101 0.000 1.877 425 A HA -0.128 4.193 4.320 0.002 0.000 0.216 425 A C 2.438 180.111 177.584 0.148 0.000 1.186 425 A CA 2.653 54.769 52.037 0.131 0.000 0.620 425 A CB -1.440 17.627 19.000 0.111 0.000 0.822 425 A HN 0.810 nan 8.150 nan 0.000 0.443 426 T N -2.844 111.786 114.554 0.126 0.000 2.995 426 T HA -0.021 4.330 4.350 0.002 0.000 0.269 426 T C 1.633 176.462 174.700 0.214 0.000 1.091 426 T CA 1.217 63.417 62.100 0.167 0.000 1.128 426 T CB -0.500 68.440 68.868 0.119 0.000 0.891 426 T HN 0.058 nan 8.240 nan 0.000 0.492 427 V N 2.832 122.847 119.914 0.168 0.000 2.358 427 V HA -0.153 3.968 4.120 0.002 0.000 0.246 427 V C 3.193 179.376 176.094 0.149 0.000 1.047 427 V CA 1.995 64.383 62.300 0.147 0.000 1.035 427 V CB -0.937 30.953 31.823 0.112 0.000 0.658 427 V HN 0.779 nan 8.190 nan 0.000 0.452 428 S N -0.200 115.597 115.700 0.163 0.000 2.423 428 S HA -0.202 4.269 4.470 0.002 0.000 0.231 428 S C 1.945 176.660 174.600 0.193 0.000 1.014 428 S CA 1.407 59.702 58.200 0.158 0.000 0.965 428 S CB -0.705 62.593 63.200 0.164 0.000 0.785 428 S HN 0.500 nan 8.310 nan 0.000 0.495 429 F N 2.077 122.085 119.950 0.097 0.000 2.186 429 F HA 0.118 4.646 4.527 0.002 0.000 0.299 429 F C 2.263 178.146 175.800 0.139 0.000 1.090 429 F CA 1.043 59.112 58.000 0.114 0.000 1.307 429 F CB -0.340 38.706 39.000 0.078 0.000 1.019 429 F HN 0.091 nan 8.300 nan 0.000 0.489 430 M N 0.468 120.139 119.600 0.117 0.000 2.080 430 M HA -0.234 4.247 4.480 0.002 0.000 0.260 430 M C 2.106 178.378 176.300 -0.045 0.000 1.068 430 M CA 1.685 57.002 55.300 0.028 0.000 1.109 430 M CB -1.267 31.393 32.600 0.101 0.000 1.342 430 M HN 0.116 nan 8.290 nan 0.000 0.405 431 K N -1.112 119.292 120.400 0.007 0.000 2.020 431 K HA -0.250 4.071 4.320 0.002 0.000 0.212 431 K C 2.005 178.577 176.600 -0.047 0.000 1.050 431 K CA 1.963 58.248 56.287 -0.002 0.000 0.929 431 K CB -0.629 31.895 32.500 0.039 0.000 0.714 431 K HN 0.336 nan 8.250 nan 0.000 0.443 432 H N 1.101 120.081 119.070 -0.150 0.000 2.394 432 H HA -0.116 4.441 4.556 0.002 0.000 0.297 432 H C 1.823 176.986 175.328 -0.276 0.000 1.113 432 H CA 1.693 57.622 56.048 -0.199 0.000 1.277 432 H CB -0.238 29.364 29.762 -0.267 0.000 1.370 432 H HN 0.085 nan 8.280 nan 0.000 0.506 433 L N -0.198 120.754 121.223 -0.452 0.000 2.017 433 L HA -0.187 4.154 4.340 0.002 0.000 0.208 433 L C 2.533 179.244 176.870 -0.265 0.000 1.073 433 L CA 1.700 56.295 54.840 -0.408 0.000 0.745 433 L CB -0.529 41.353 42.059 -0.295 0.000 0.894 433 L HN 0.453 nan 8.230 nan 0.000 0.432 434 D N 0.186 120.479 120.400 -0.179 0.000 2.078 434 D HA -0.199 4.442 4.640 0.002 0.000 0.193 434 D C 1.771 177.996 176.300 -0.126 0.000 0.990 434 D CA 1.420 55.351 54.000 -0.115 0.000 0.827 434 D CB -0.034 40.725 40.800 -0.068 0.000 0.975 434 D HN 0.257 nan 8.370 nan 0.000 0.451 435 N N 0.994 119.616 118.700 -0.130 0.000 2.137 435 N HA -0.160 4.581 4.740 0.002 0.000 0.190 435 N C 1.647 177.072 175.510 -0.142 0.000 1.017 435 N CA 0.878 53.868 53.050 -0.100 0.000 0.859 435 N CB -0.318 38.140 38.487 -0.049 0.000 1.002 435 N HN 0.396 nan 8.380 nan 0.000 0.428 436 E N 0.399 120.431 120.200 -0.279 0.000 2.158 436 E HA -0.095 4.256 4.350 0.002 0.000 0.191 436 E C 1.871 178.369 176.600 -0.169 0.000 0.982 436 E CA 0.382 56.612 56.400 -0.284 0.000 0.823 436 E CB -0.096 29.308 29.700 -0.494 0.000 0.766 436 E HN 0.303 nan 8.360 nan 0.000 0.468 437 Q N 1.574 121.286 119.800 -0.148 0.000 2.124 437 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 437 Q C 1.701 177.660 176.000 -0.069 0.000 0.977 437 Q CA 1.643 57.393 55.803 -0.089 0.000 0.850 437 Q CB 0.028 28.721 28.738 -0.075 0.000 0.901 437 Q HN 0.116 nan 8.270 nan 0.000 0.429 438 K N -1.005 119.355 120.400 -0.068 0.000 2.155 438 K HA 0.057 4.378 4.320 0.002 0.000 0.203 438 K C 1.884 178.459 176.600 -0.042 0.000 1.052 438 K CA 0.923 57.181 56.287 -0.048 0.000 0.948 438 K CB -0.015 32.461 32.500 -0.040 0.000 0.728 438 K HN 0.216 nan 8.250 nan 0.000 0.448 439 A N 1.085 123.877 122.820 -0.047 0.000 1.935 439 A HA 0.018 4.339 4.320 0.002 0.000 0.214 439 A C 1.756 179.320 177.584 -0.034 0.000 1.178 439 A CA 0.811 52.831 52.037 -0.027 0.000 0.640 439 A CB 0.122 19.118 19.000 -0.006 0.000 0.825 439 A HN 0.120 nan 8.150 nan 0.000 0.447 440 R N -2.386 118.083 120.500 -0.053 0.000 2.544 440 R HA 0.263 4.604 4.340 0.002 0.000 0.303 440 R C 0.714 176.990 176.300 -0.039 0.000 0.939 440 R CA 0.495 56.570 56.100 -0.042 0.000 1.102 440 R CB 0.769 31.039 30.300 -0.050 0.000 1.440 440 R HN 0.658 nan 8.270 nan 0.000 0.532 441 G N 1.027 109.799 108.800 -0.048 0.000 2.171 441 G HA2 -0.125 3.836 3.960 0.002 0.000 0.238 441 G HA3 -0.125 3.836 3.960 0.002 0.000 0.238 441 G C 0.173 175.064 174.900 -0.014 0.000 1.039 441 G CA 0.035 45.107 45.100 -0.047 0.000 0.759 441 G HN 0.717 nan 8.290 nan 0.000 0.501 442 G N -2.401 106.394 108.800 -0.008 0.000 2.353 442 G HA2 0.528 4.489 3.960 0.002 0.000 0.308 442 G HA3 0.528 4.489 3.960 0.002 0.000 0.308 442 G C -0.675 174.243 174.900 0.031 0.000 1.418 442 G CA 0.374 45.502 45.100 0.046 0.000 0.966 442 G HN 2.032 nan 8.290 nan 0.000 0.638 443 C N 2.251 121.588 119.300 0.063 0.000 2.727 443 C HA 0.726 5.187 4.460 0.002 0.000 0.369 443 C C -2.504 172.469 174.990 -0.028 0.000 1.067 443 C CA -1.220 57.786 59.018 -0.020 0.000 1.273 443 C CB 1.319 28.984 27.740 -0.126 0.000 1.778 443 C HN 0.734 nan 8.230 nan 0.000 0.467 444 P HA 0.387 nan 4.420 nan 0.000 0.271 444 P C -0.613 176.592 177.300 -0.158 0.000 1.233 444 P CA 0.614 63.378 63.100 -0.560 0.000 0.764 444 P CB 0.993 32.042 31.700 -1.085 0.000 0.825 445 A N 2.965 125.769 122.820 -0.027 0.000 2.422 445 A HA 0.439 4.760 4.320 0.002 0.000 0.302 445 A C -0.936 176.701 177.584 0.088 0.000 1.041 445 A CA -0.586 51.515 52.037 0.106 0.000 0.708 445 A CB 1.311 20.497 19.000 0.310 0.000 1.257 445 A HN 0.442 nan 8.150 nan 0.000 0.414 446 D N 1.863 122.296 120.400 0.056 0.000 2.396 446 D HA 0.130 4.771 4.640 0.002 0.000 0.225 446 D C 0.735 177.151 176.300 0.194 0.000 1.121 446 D CA -0.484 53.576 54.000 0.100 0.000 0.853 446 D CB 0.440 41.233 40.800 -0.012 0.000 1.043 446 D HN 0.591 nan 8.370 nan 0.000 0.500 447 W N 4.258 125.597 121.300 0.066 0.000 2.338 447 W HA -0.219 4.442 4.660 0.002 0.000 0.304 447 W C 1.895 178.460 176.519 0.077 0.000 1.212 447 W CA 1.963 59.342 57.345 0.056 0.000 1.264 447 W CB 0.110 29.582 29.460 0.019 0.000 1.142 447 W HN 0.579 nan 8.180 nan 0.000 0.512 448 A N -1.256 121.862 122.820 0.496 0.000 2.019 448 A HA -0.178 4.143 4.320 0.002 0.000 0.219 448 A C 1.458 179.160 177.584 0.196 0.000 1.164 448 A CA 1.538 53.811 52.037 0.393 0.000 0.644 448 A CB -1.190 18.060 19.000 0.417 0.000 0.805 448 A HN 0.516 nan 8.150 nan 0.000 0.449 449 W N -0.855 120.423 121.300 -0.036 0.000 2.704 449 W HA 0.211 4.872 4.660 0.002 0.000 0.266 449 W C 1.789 178.196 176.519 -0.187 0.000 1.266 449 W CA -0.080 57.216 57.345 -0.082 0.000 1.377 449 W CB 0.015 29.451 29.460 -0.039 0.000 1.082 449 W HN 0.136 nan 8.180 nan 0.000 0.608 450 I N -0.136 120.402 120.570 -0.054 0.000 2.500 450 I HA -0.052 4.119 4.170 0.002 0.000 0.252 450 I C 0.536 176.454 176.117 -0.332 0.000 1.142 450 I CA 0.794 61.926 61.300 -0.280 0.000 1.451 450 I CB -1.414 36.349 38.000 -0.396 0.000 1.093 450 I HN -0.405 nan 8.210 nan 0.000 0.430 451 V N 3.941 123.584 119.914 -0.451 0.000 2.455 451 V HA 0.143 4.264 4.120 0.002 0.000 0.273 451 V C -1.888 174.037 176.094 -0.281 0.000 1.045 451 V CA -1.292 60.729 62.300 -0.466 0.000 0.976 451 V CB 0.281 31.591 31.823 -0.855 0.000 0.993 451 V HN 0.110 nan 8.190 nan 0.000 0.475 452 P HA 0.030 nan 4.420 nan 0.000 0.267 452 P C -1.765 175.404 177.300 -0.218 0.000 1.195 452 P CA -0.761 62.212 63.100 -0.212 0.000 0.773 452 P CB 0.025 31.593 31.700 -0.220 0.000 0.837 453 P HA 0.002 nan 4.420 nan 0.000 0.237 453 P C 0.221 177.407 177.300 -0.190 0.000 1.178 453 P CA 1.162 64.143 63.100 -0.199 0.000 0.766 453 P CB 0.002 31.578 31.700 -0.205 0.000 0.876 454 I N -7.231 113.189 120.570 -0.250 0.000 3.095 454 I HA 0.431 4.602 4.170 0.002 0.000 0.310 454 I C -0.141 175.849 176.117 -0.211 0.000 1.196 454 I CA -1.339 59.830 61.300 -0.219 0.000 0.985 454 I CB 1.806 39.659 38.000 -0.244 0.000 1.250 454 I HN -0.432 nan 8.210 nan 0.000 0.446 455 S N 1.768 117.395 115.700 -0.121 0.000 3.521 455 S HA -0.198 4.273 4.470 0.002 0.000 0.362 455 S C 1.322 175.881 174.600 -0.067 0.000 1.044 455 S CA 0.846 59.015 58.200 -0.051 0.000 1.091 455 S CB -1.647 61.590 63.200 0.063 0.000 0.908 455 S HN 1.229 nan 8.310 nan 0.000 0.473 456 G N 2.338 111.067 108.800 -0.118 0.000 2.586 456 G HA2 -0.308 3.653 3.960 0.002 0.000 0.218 456 G HA3 -0.308 3.653 3.960 0.002 0.000 0.218 456 G C 1.477 176.258 174.900 -0.198 0.000 1.216 456 G CA 1.472 46.511 45.100 -0.101 0.000 0.786 456 G HN 1.212 nan 8.290 nan 0.000 0.583 457 S N 0.423 115.713 115.700 -0.683 0.000 2.507 457 S HA 0.131 4.602 4.470 0.002 0.000 0.235 457 S C 2.177 176.738 174.600 -0.065 0.000 0.988 457 S CA 0.725 58.405 58.200 -0.866 0.000 0.944 457 S CB -0.223 62.256 63.200 -1.201 0.000 0.762 457 S HN 0.320 nan 8.310 nan 0.000 0.526 458 L N 1.908 123.129 121.223 -0.003 0.000 2.376 458 L HA 0.071 4.412 4.340 0.002 0.000 0.219 458 L C 1.484 178.500 176.870 0.245 0.000 1.133 458 L CA 0.779 55.706 54.840 0.146 0.000 0.816 458 L CB -1.124 41.050 42.059 0.193 0.000 0.933 458 L HN 0.513 nan 8.230 nan 0.000 0.449 459 T N -4.003 110.685 114.554 0.223 0.000 2.934 459 T HA 0.264 4.615 4.350 0.002 0.000 0.283 459 T C -1.599 173.293 174.700 0.319 0.000 1.005 459 T CA -1.920 60.332 62.100 0.253 0.000 1.041 459 T CB 1.703 70.667 68.868 0.160 0.000 1.042 459 T HN -0.163 nan 8.240 nan 0.000 0.505 460 P HA -0.047 nan 4.420 nan 0.000 0.221 460 P C 1.760 179.268 177.300 0.347 0.000 1.150 460 P CA 0.854 64.153 63.100 0.331 0.000 0.800 460 P CB -0.316 31.520 31.700 0.226 0.000 0.787 461 V N -3.529 116.537 119.914 0.254 0.000 2.626 461 V HA -0.182 3.939 4.120 0.002 0.000 0.252 461 V C 2.408 178.592 176.094 0.151 0.000 1.067 461 V CA 1.150 63.562 62.300 0.187 0.000 1.081 461 V CB -2.287 29.572 31.823 0.060 0.000 0.686 461 V HN -0.109 nan 8.190 nan 0.000 0.468 462 F N 1.713 121.666 119.950 0.005 0.000 2.202 462 F HA -0.162 4.366 4.527 0.001 0.000 0.301 462 F C 2.340 178.249 175.800 0.181 0.000 1.082 462 F CA 2.063 60.066 58.000 0.005 0.000 1.313 462 F CB -0.265 38.639 39.000 -0.159 0.000 1.024 462 F HN 0.273 nan 8.300 nan 0.000 0.495 463 H N -0.778 118.580 119.070 0.481 0.000 2.524 463 H HA 0.133 4.690 4.556 0.002 0.000 0.280 463 H C 0.085 175.640 175.328 0.379 0.000 1.018 463 H CA 0.137 56.435 56.048 0.415 0.000 1.165 463 H CB -0.114 29.891 29.762 0.404 0.000 1.411 463 H HN 0.253 nan 8.280 nan 0.000 0.569 464 Q N 1.735 121.797 119.800 0.437 0.000 2.348 464 Q HA 0.184 4.525 4.340 0.002 0.000 0.265 464 Q C -0.618 175.616 176.000 0.390 0.000 0.998 464 Q CA -0.468 55.556 55.803 0.368 0.000 0.831 464 Q CB 0.936 29.857 28.738 0.304 0.000 1.251 464 Q HN 0.214 nan 8.270 nan 0.000 0.456 465 E N 3.209 123.588 120.200 0.298 0.000 2.398 465 E HA 0.296 4.647 4.350 0.002 0.000 0.263 465 E C -0.479 176.256 176.600 0.225 0.000 1.046 465 E CA 0.384 56.916 56.400 0.220 0.000 0.908 465 E CB 0.736 30.548 29.700 0.187 0.000 0.963 465 E HN 0.608 nan 8.360 nan 0.000 0.431 466 M N 1.119 120.848 119.600 0.215 0.000 2.575 466 M HA 0.417 4.898 4.480 0.002 0.000 0.284 466 M C -1.281 175.126 176.300 0.179 0.000 1.253 466 M CA -1.018 54.414 55.300 0.221 0.000 0.861 466 M CB 2.237 35.018 32.600 0.302 0.000 1.733 466 M HN 0.133 nan 8.290 nan 0.000 0.462 467 V N 1.498 121.529 119.914 0.195 0.000 2.555 467 V HA 0.548 4.669 4.120 0.002 0.000 0.302 467 V C -0.889 175.334 176.094 0.215 0.000 1.038 467 V CA -0.671 61.774 62.300 0.242 0.000 0.887 467 V CB 1.936 33.962 31.823 0.340 0.000 0.991 467 V HN 0.831 nan 8.190 nan 0.000 0.434 468 N N 3.152 121.975 118.700 0.205 0.000 2.314 468 N HA 0.704 5.445 4.740 0.002 0.000 0.294 468 N C -1.354 174.264 175.510 0.180 0.000 1.029 468 N CA -0.460 52.619 53.050 0.048 0.000 0.845 468 N CB 1.615 40.126 38.487 0.040 0.000 1.321 468 N HN 0.672 nan 8.380 nan 0.000 0.481 469 Y N 0.154 120.466 120.300 0.020 0.000 2.677 469 Y HA 0.549 5.100 4.550 0.002 0.000 0.334 469 Y C -1.128 174.770 175.900 -0.004 0.000 1.196 469 Y CA -1.238 56.868 58.100 0.010 0.000 1.059 469 Y CB 0.803 39.274 38.460 0.018 0.000 1.315 469 Y HN 0.207 nan 8.280 nan 0.000 0.455 470 I N 3.596 124.257 120.570 0.153 0.000 2.315 470 I HA 0.404 4.575 4.170 0.002 0.000 0.291 470 I C -0.580 175.593 176.117 0.093 0.000 1.006 470 I CA -0.431 60.901 61.300 0.054 0.000 1.265 470 I CB 0.933 38.949 38.000 0.026 0.000 1.387 470 I HN 0.432 nan 8.210 nan 0.000 0.475 471 L N 4.757 125.999 121.223 0.032 0.000 2.313 471 L HA 0.607 4.948 4.340 0.002 0.000 0.268 471 L C -0.052 176.807 176.870 -0.019 0.000 1.010 471 L CA -0.617 54.247 54.840 0.039 0.000 0.814 471 L CB 2.038 44.116 42.059 0.032 0.000 1.304 471 L HN 0.499 nan 8.230 nan 0.000 0.441 472 S N 0.538 116.234 115.700 -0.006 0.000 2.526 472 S HA 0.616 5.087 4.470 0.002 0.000 0.293 472 S C -2.597 171.997 174.600 -0.009 0.000 1.092 472 S CA -1.328 56.851 58.200 -0.035 0.000 0.980 472 S CB 1.955 65.152 63.200 -0.004 0.000 1.048 472 S HN 0.233 nan 8.310 nan 0.000 0.483 473 P HA 0.384 nan 4.420 nan 0.000 0.269 473 P C -1.313 175.839 177.300 -0.246 0.000 1.211 473 P CA 0.081 63.058 63.100 -0.204 0.000 0.781 473 P CB 0.447 31.977 31.700 -0.284 0.000 0.877 474 A N 1.266 123.889 122.820 -0.328 0.000 2.605 474 A HA 0.621 4.942 4.320 0.002 0.000 0.294 474 A C -1.641 175.697 177.584 -0.410 0.000 1.062 474 A CA -0.523 51.324 52.037 -0.318 0.000 0.682 474 A CB 0.625 19.527 19.000 -0.162 0.000 1.278 474 A HN 0.320 nan 8.150 nan 0.000 0.410 475 F N 1.127 120.983 119.950 -0.157 0.000 2.408 475 F HA 0.681 5.209 4.527 0.002 0.000 0.344 475 F C 1.025 176.709 175.800 -0.193 0.000 1.112 475 F CA 0.140 58.048 58.000 -0.153 0.000 1.096 475 F CB 1.715 40.592 39.000 -0.206 0.000 1.129 475 F HN 0.569 nan 8.300 nan 0.000 0.486 476 R N 1.479 122.000 120.500 0.035 0.000 2.888 476 R HA 0.483 4.824 4.340 0.002 0.000 0.266 476 R C -1.621 174.646 176.300 -0.055 0.000 1.020 476 R CA -1.216 54.831 56.100 -0.089 0.000 0.963 476 R CB 1.703 31.988 30.300 -0.024 0.000 1.197 476 R HN 0.402 nan 8.270 nan 0.000 0.481 477 Y N 1.286 121.612 120.300 0.044 0.000 2.301 477 Y HA 0.206 4.757 4.550 0.002 0.000 0.325 477 Y C 0.444 176.350 175.900 0.010 0.000 1.203 477 Y CA -0.319 57.798 58.100 0.029 0.000 1.255 477 Y CB 1.133 39.598 38.460 0.008 0.000 1.232 477 Y HN 0.429 nan 8.280 nan 0.000 0.501 478 Q N 1.924 121.827 119.800 0.173 0.000 2.456 478 Q HA 0.669 5.010 4.340 0.002 0.000 0.283 478 Q C -3.090 172.894 176.000 -0.026 0.000 1.084 478 Q CA -2.527 53.312 55.803 0.059 0.000 0.801 478 Q CB 2.079 30.846 28.738 0.048 0.000 1.434 478 Q HN 0.280 nan 8.270 nan 0.000 0.419 479 P HA 0.043 nan 4.420 nan 0.000 0.268 479 P C -1.026 176.094 177.300 -0.300 0.000 1.208 479 P CA 0.074 63.067 63.100 -0.178 0.000 0.777 479 P CB 0.378 31.986 31.700 -0.153 0.000 0.875 480 D N 3.365 123.460 120.400 -0.509 0.000 2.389 480 D HA 0.026 4.667 4.640 0.002 0.000 0.247 480 D C -1.007 174.744 176.300 -0.915 0.000 1.128 480 D CA -1.195 52.248 54.000 -0.929 0.000 0.884 480 D CB 0.300 40.158 40.800 -1.569 0.000 1.194 480 D HN 0.298 nan 8.370 nan 0.000 0.441 481 P HA -0.093 nan 4.420 nan 0.000 0.223 481 P C 0.102 177.185 177.300 -0.362 0.000 1.144 481 P CA 0.892 63.700 63.100 -0.486 0.000 0.783 481 P CB 0.111 31.590 31.700 -0.369 0.000 0.771 482 W N 0.000 120.976 121.300 -0.541 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.162 57.345 -0.305 0.000 1.226 482 W CB 0.000 29.192 29.460 -0.446 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535