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 1p6n_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XPPAEQLLSQ 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 0.000 176.180 176.600 -0.700 0.000 0.988 69 K CA 0.000 55.999 56.287 -0.479 0.000 0.838 69 K CB 0.000 32.294 32.500 -0.343 0.000 1.064 70 F N 3.882 123.826 119.950 -0.011 0.000 2.539 70 F HA 0.407 4.935 4.527 0.002 0.000 0.318 70 F C -2.392 173.458 175.800 0.084 0.000 1.135 70 F CA -1.976 56.033 58.000 0.015 0.000 0.915 70 F CB 1.816 40.814 39.000 -0.003 0.000 1.176 70 F HN 0.024 nan 8.300 nan 0.000 0.440 71 P HA 0.118 nan 4.420 nan 0.000 0.271 71 P C -1.035 176.419 177.300 0.257 0.000 1.216 71 P CA -0.497 62.730 63.100 0.212 0.000 0.776 71 P CB 1.397 33.188 31.700 0.151 0.000 0.881 72 R N 2.462 123.076 120.500 0.191 0.000 2.207 72 R HA 0.393 4.734 4.340 0.002 0.000 0.334 72 R C -1.055 175.215 176.300 -0.049 0.000 1.013 72 R CA -0.578 55.537 56.100 0.025 0.000 0.858 72 R CB 0.514 30.862 30.300 0.080 0.000 1.094 72 R HN 0.262 nan 8.270 nan 0.000 0.457 73 V N 5.424 125.262 119.914 -0.127 0.000 2.370 73 V HA 0.321 4.442 4.120 0.002 0.000 0.279 73 V C 0.010 176.026 176.094 -0.130 0.000 1.029 73 V CA -0.573 61.693 62.300 -0.056 0.000 0.870 73 V CB 1.309 33.131 31.823 -0.001 0.000 0.984 73 V HN 0.691 nan 8.190 nan 0.000 0.451 74 K N 3.997 124.334 120.400 -0.104 0.000 2.259 74 K HA 0.403 4.725 4.320 0.002 0.000 0.252 74 K C -0.670 175.815 176.600 -0.192 0.000 0.936 74 K CA -0.727 55.404 56.287 -0.261 0.000 0.810 74 K CB 1.431 33.620 32.500 -0.518 0.000 1.143 74 K HN 0.706 nan 8.250 nan 0.000 0.427 75 N N 3.931 122.510 118.700 -0.201 0.000 2.444 75 N HA 0.099 4.840 4.740 0.002 0.000 0.262 75 N C -0.350 175.099 175.510 -0.102 0.000 0.974 75 N CA -0.362 52.681 53.050 -0.011 0.000 0.933 75 N CB 0.492 38.998 38.487 0.032 0.000 1.137 75 N HN 0.633 nan 8.380 nan 0.000 0.498 76 W N 2.070 123.436 121.300 0.110 0.000 3.077 76 W HA 0.160 4.821 4.660 0.002 0.000 0.245 76 W C 1.934 178.496 176.519 0.072 0.000 1.316 76 W CA -0.211 57.192 57.345 0.096 0.000 1.537 76 W CB 0.246 29.781 29.460 0.124 0.000 1.131 76 W HN 0.662 nan 8.180 nan 0.000 0.695 77 E N 0.365 120.689 120.200 0.206 0.000 2.166 77 E HA -0.043 4.308 4.350 0.002 0.000 0.192 77 E C 1.613 178.233 176.600 0.033 0.000 0.967 77 E CA 0.816 57.251 56.400 0.059 0.000 0.840 77 E CB -0.061 29.628 29.700 -0.018 0.000 0.795 77 E HN 0.270 nan 8.360 nan 0.000 0.470 78 L N -0.873 120.366 121.223 0.027 0.000 2.638 78 L HA 0.388 4.729 4.340 0.002 0.000 0.232 78 L C 1.428 178.273 176.870 -0.041 0.000 1.099 78 L CA 0.319 55.157 54.840 -0.004 0.000 0.883 78 L CB 0.581 42.639 42.059 -0.001 0.000 1.136 78 L HN 0.309 nan 8.230 nan 0.000 0.492 79 G N 1.219 109.972 108.800 -0.079 0.000 2.168 79 G HA2 -0.322 3.639 3.960 0.002 0.000 0.257 79 G HA3 -0.322 3.639 3.960 0.002 0.000 0.257 79 G C 0.397 175.195 174.900 -0.170 0.000 0.997 79 G CA 0.564 45.570 45.100 -0.156 0.000 0.708 79 G HN 0.505 nan 8.290 nan 0.000 0.520 80 S N -0.858 114.758 115.700 -0.141 0.000 2.652 80 S HA 0.825 5.296 4.470 0.002 0.000 0.270 80 S C 0.062 174.551 174.600 -0.185 0.000 1.243 80 S CA -0.628 57.494 58.200 -0.131 0.000 0.999 80 S CB 2.379 65.528 63.200 -0.084 0.000 0.973 80 S HN 0.631 nan 8.310 nan 0.000 0.544 81 I N 1.045 121.503 120.570 -0.187 0.000 2.722 81 I HA 0.450 4.621 4.170 0.002 0.000 0.295 81 I C -0.220 175.715 176.117 -0.303 0.000 1.161 81 I CA -0.510 60.629 61.300 -0.268 0.000 1.032 81 I CB 2.732 40.542 38.000 -0.315 0.000 1.244 81 I HN 1.017 nan 8.210 nan 0.000 0.421 82 T N 0.961 115.295 114.554 -0.367 0.000 2.858 82 T HA 0.637 4.988 4.350 0.002 0.000 0.285 82 T C -1.276 173.104 174.700 -0.533 0.000 1.052 82 T CA -0.727 61.176 62.100 -0.328 0.000 1.009 82 T CB 1.792 70.578 68.868 -0.137 0.000 1.241 82 T HN 0.343 nan 8.240 nan 0.000 0.542 83 Y N 0.131 120.414 120.300 -0.028 0.000 2.349 83 Y HA 0.336 4.887 4.550 0.002 0.000 0.324 83 Y C -0.097 175.775 175.900 -0.047 0.000 1.005 83 Y CA -1.072 57.015 58.100 -0.022 0.000 1.240 83 Y CB 1.450 39.881 38.460 -0.047 0.000 1.117 83 Y HN 0.711 nan 8.280 nan 0.000 0.463 84 D N 2.576 123.053 120.400 0.128 0.000 2.346 84 D HA 0.009 4.650 4.640 0.002 0.000 0.260 84 D C 0.829 177.152 176.300 0.039 0.000 1.252 84 D CA 0.600 54.650 54.000 0.083 0.000 0.895 84 D CB 1.100 41.978 40.800 0.130 0.000 1.097 84 D HN 0.762 nan 8.370 nan 0.000 0.489 85 T N 0.970 115.468 114.554 -0.093 0.000 3.044 85 T HA -0.009 4.342 4.350 0.002 0.000 0.260 85 T C 1.653 176.292 174.700 -0.101 0.000 1.019 85 T CA -0.365 61.582 62.100 -0.254 0.000 0.921 85 T CB 0.180 68.711 68.868 -0.562 0.000 1.053 85 T HN 0.243 nan 8.240 nan 0.000 0.533 86 L N 2.268 123.452 121.223 -0.066 0.000 2.179 86 L HA 0.158 4.499 4.340 0.002 0.000 0.208 86 L C 2.639 179.397 176.870 -0.187 0.000 1.096 86 L CA 1.211 56.031 54.840 -0.034 0.000 0.779 86 L CB -0.857 41.253 42.059 0.085 0.000 0.922 86 L HN 0.630 nan 8.230 nan 0.000 0.443 87 C N -0.856 118.112 119.300 -0.553 0.000 2.401 87 C HA -0.048 4.413 4.460 0.002 0.000 0.286 87 C C 2.738 177.449 174.990 -0.464 0.000 1.332 87 C CA 0.343 58.605 59.018 -1.261 0.000 1.795 87 C CB -2.215 24.830 27.740 -1.158 0.000 1.922 87 C HN 0.573 nan 8.230 nan 0.000 0.520 88 A N -0.072 122.661 122.820 -0.145 0.000 2.067 88 A HA -0.058 4.263 4.320 0.002 0.000 0.219 88 A C 2.208 179.784 177.584 -0.013 0.000 1.158 88 A CA 1.191 53.223 52.037 -0.008 0.000 0.661 88 A CB -0.465 18.640 19.000 0.175 0.000 0.801 88 A HN 0.749 nan 8.150 nan 0.000 0.452 89 Q N 0.185 119.972 119.800 -0.021 0.000 2.373 89 Q HA 0.088 4.429 4.340 0.002 0.000 0.206 89 Q C 0.173 176.202 176.000 0.048 0.000 0.942 89 Q CA 0.106 55.925 55.803 0.026 0.000 0.953 89 Q CB -0.149 28.617 28.738 0.047 0.000 1.022 89 Q HN 0.435 nan 8.270 nan 0.000 0.502 90 S N 1.054 116.769 115.700 0.025 0.000 2.448 90 S HA 0.098 4.569 4.470 0.002 0.000 0.279 90 S C 0.928 175.560 174.600 0.052 0.000 1.195 90 S CA -0.297 57.949 58.200 0.077 0.000 1.051 90 S CB 0.550 63.804 63.200 0.091 0.000 0.948 90 S HN 0.134 nan 8.310 nan 0.000 0.493 91 Q N 2.394 122.229 119.800 0.059 0.000 2.304 91 Q HA 0.124 4.465 4.340 0.002 0.000 0.204 91 Q C 0.699 176.723 176.000 0.040 0.000 0.936 91 Q CA 0.583 56.412 55.803 0.044 0.000 0.878 91 Q CB -0.337 28.429 28.738 0.047 0.000 0.983 91 Q HN 0.769 nan 8.270 nan 0.000 0.516 92 Q N 1.468 121.296 119.800 0.047 0.000 2.354 92 Q HA 0.135 4.476 4.340 0.002 0.000 0.244 92 Q C -1.090 174.937 176.000 0.045 0.000 0.969 92 Q CA 0.177 56.003 55.803 0.039 0.000 0.885 92 Q CB 0.832 29.591 28.738 0.034 0.000 1.241 92 Q HN -0.128 nan 8.270 nan 0.000 0.461 93 D N 0.934 121.355 120.400 0.036 0.000 2.272 93 D HA 0.621 5.262 4.640 0.002 0.000 0.247 93 D C -0.421 175.901 176.300 0.037 0.000 0.990 93 D CA -0.178 53.844 54.000 0.037 0.000 0.931 93 D CB 1.583 42.398 40.800 0.026 0.000 1.195 93 D HN 0.671 nan 8.370 nan 0.000 0.477 94 G N -0.030 108.795 108.800 0.042 0.000 2.613 94 G HA2 0.425 4.386 3.960 0.002 0.000 0.303 94 G HA3 0.425 4.386 3.960 0.002 0.000 0.303 94 G C -1.400 173.519 174.900 0.031 0.000 1.312 94 G CA -0.750 44.374 45.100 0.039 0.000 1.036 94 G HN 0.339 nan 8.290 nan 0.000 0.513 95 P HA 0.045 nan 4.420 nan 0.000 0.220 95 P C 0.552 177.865 177.300 0.022 0.000 1.152 95 P CA 0.263 63.377 63.100 0.024 0.000 0.812 95 P CB 0.028 31.742 31.700 0.024 0.000 0.792 96 C N 1.185 120.502 119.300 0.027 0.000 2.657 96 C HA 0.488 4.949 4.460 0.002 0.000 0.404 96 C C 1.187 176.189 174.990 0.019 0.000 1.291 96 C CA 0.058 59.090 59.018 0.024 0.000 2.218 96 C CB 0.295 28.053 27.740 0.030 0.000 2.687 96 C HN 0.446 nan 8.230 nan 0.000 0.634 97 T N -1.307 113.255 114.554 0.014 0.000 2.812 97 T HA 0.447 4.798 4.350 0.002 0.000 0.294 97 T C -2.469 172.236 174.700 0.007 0.000 1.159 97 T CA -1.090 61.016 62.100 0.010 0.000 1.008 97 T CB 1.268 70.140 68.868 0.007 0.000 1.289 97 T HN 0.257 nan 8.240 nan 0.000 0.514 98 P HA 0.092 nan 4.420 nan 0.000 0.218 98 P C 1.585 178.886 177.300 0.002 0.000 1.149 98 P CA 0.508 63.609 63.100 0.002 0.000 0.817 98 P CB 0.133 31.832 31.700 -0.001 0.000 0.785 99 R N -0.172 120.329 120.500 0.001 0.000 2.096 99 R HA -0.080 4.261 4.340 0.002 0.000 0.235 99 R C 0.683 176.984 176.300 0.001 0.000 1.127 99 R CA 1.063 57.164 56.100 0.001 0.000 0.968 99 R CB 0.154 30.455 30.300 0.001 0.000 0.861 99 R HN 0.144 nan 8.270 nan 0.000 0.440 100 R N -0.847 119.655 120.500 0.003 0.000 2.663 100 R HA 0.129 4.470 4.340 0.002 0.000 0.267 100 R C -1.788 174.516 176.300 0.007 0.000 1.038 100 R CA -0.691 55.411 56.100 0.003 0.000 0.886 100 R CB 0.300 30.602 30.300 0.003 0.000 1.249 100 R HN 0.062 nan 8.270 nan 0.000 0.463 101 C N 3.283 122.586 119.300 0.006 0.000 2.295 101 C HA 0.613 5.074 4.460 0.002 0.000 0.331 101 C C 0.659 175.658 174.990 0.015 0.000 1.280 101 C CA -0.664 58.360 59.018 0.010 0.000 1.746 101 C CB -0.637 27.106 27.740 0.005 0.000 2.328 101 C HN 0.759 nan 8.230 nan 0.000 0.521 102 L N 5.539 126.775 121.223 0.022 0.000 3.202 102 L HA 0.291 4.632 4.340 0.002 0.000 0.278 102 L C 2.019 178.913 176.870 0.039 0.000 1.268 102 L CA 0.228 55.084 54.840 0.027 0.000 1.034 102 L CB 0.041 42.114 42.059 0.023 0.000 1.407 102 L HN 1.012 nan 8.230 nan 0.000 0.581 103 G N 0.265 109.092 108.800 0.044 0.000 2.498 103 G HA2 -0.245 3.716 3.960 0.002 0.000 0.219 103 G HA3 -0.245 3.716 3.960 0.002 0.000 0.219 103 G C 1.545 176.500 174.900 0.092 0.000 1.119 103 G CA 1.115 46.252 45.100 0.061 0.000 0.766 103 G HN 0.502 nan 8.290 nan 0.000 0.552 104 S N -0.663 115.092 115.700 0.092 0.000 2.603 104 S HA 0.308 4.779 4.470 0.002 0.000 0.220 104 S C 0.650 175.329 174.600 0.132 0.000 0.967 104 S CA -0.417 57.861 58.200 0.130 0.000 0.920 104 S CB 0.006 63.267 63.200 0.101 0.000 0.773 104 S HN 0.003 nan 8.310 nan 0.000 0.529 105 L N 2.042 123.321 121.223 0.093 0.000 2.380 105 L HA 0.278 4.619 4.340 0.002 0.000 0.273 105 L C 1.333 178.259 176.870 0.092 0.000 1.138 105 L CA 0.150 55.037 54.840 0.077 0.000 0.832 105 L CB 1.082 43.166 42.059 0.042 0.000 1.124 105 L HN -0.014 nan 8.230 nan 0.000 0.454 106 V N 3.709 123.686 119.914 0.106 0.000 2.323 106 V HA -0.064 4.057 4.120 0.002 0.000 0.244 106 V C 0.768 176.839 176.094 -0.038 0.000 1.041 106 V CA 1.153 63.523 62.300 0.115 0.000 1.025 106 V CB -0.287 31.631 31.823 0.159 0.000 0.656 106 V HN 0.469 nan 8.190 nan 0.000 0.451 107 L N 0.210 121.387 121.223 -0.078 0.000 2.341 107 L HA 0.480 4.821 4.340 0.002 0.000 0.267 107 L C -1.838 175.002 176.870 -0.051 0.000 1.009 107 L CA -1.321 53.431 54.840 -0.148 0.000 0.819 107 L CB 2.015 43.941 42.059 -0.222 0.000 1.323 107 L HN 0.145 nan 8.230 nan 0.000 0.425 108 P HA 0.664 nan 4.420 nan 0.000 0.316 108 P C -1.182 176.116 177.300 -0.003 0.000 1.284 108 P CA -0.419 62.685 63.100 0.007 0.000 0.803 108 P CB 1.617 33.341 31.700 0.040 0.000 1.980 121 P HA 0.423 nan 4.420 nan 0.000 0.318 121 P C 0.950 178.258 177.300 0.014 0.000 1.309 121 P CA -0.163 62.941 63.100 0.008 0.000 0.736 121 P CB 0.368 32.072 31.700 0.007 0.000 1.440 122 A N 0.210 123.038 122.820 0.014 0.000 1.862 122 A HA -0.273 4.048 4.320 0.002 0.000 0.217 122 A C 2.118 179.711 177.584 0.017 0.000 1.251 122 A CA 2.497 54.544 52.037 0.017 0.000 0.673 122 A CB -1.752 17.256 19.000 0.013 0.000 0.843 122 A HN 0.716 nan 8.150 nan 0.000 0.458 123 E N -1.378 118.829 120.200 0.012 0.000 2.265 123 E HA -0.213 4.138 4.350 0.002 0.000 0.196 123 E C 2.198 178.807 176.600 0.015 0.000 0.996 123 E CA 1.056 57.462 56.400 0.010 0.000 0.832 123 E CB -0.072 29.632 29.700 0.007 0.000 0.756 123 E HN 0.667 nan 8.360 nan 0.000 0.491 124 Q N 1.056 120.866 119.800 0.018 0.000 2.020 124 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 124 Q C 2.060 178.079 176.000 0.032 0.000 0.982 124 Q CA 1.160 56.977 55.803 0.022 0.000 0.838 124 Q CB -0.360 28.389 28.738 0.019 0.000 0.899 124 Q HN 0.281 nan 8.270 nan 0.000 0.423 125 L N -0.120 121.125 121.223 0.037 0.000 1.970 125 L HA -0.141 4.200 4.340 0.002 0.000 0.212 125 L C 2.151 179.052 176.870 0.051 0.000 1.071 125 L CA 1.929 56.806 54.840 0.061 0.000 0.751 125 L CB -1.243 40.862 42.059 0.076 0.000 0.889 125 L HN 0.456 nan 8.230 nan 0.000 0.432 126 L N -0.290 120.944 121.223 0.018 0.000 2.021 126 L HA -0.283 4.058 4.340 0.002 0.000 0.215 126 L C 2.795 179.660 176.870 -0.007 0.000 1.074 126 L CA 2.412 57.239 54.840 -0.022 0.000 0.760 126 L CB -0.899 41.148 42.059 -0.019 0.000 0.889 126 L HN 0.676 nan 8.230 nan 0.000 0.433 127 S N -2.018 113.692 115.700 0.016 0.000 2.383 127 S HA -0.225 4.246 4.470 0.002 0.000 0.227 127 S C 1.874 176.509 174.600 0.058 0.000 1.026 127 S CA 1.088 59.305 58.200 0.030 0.000 0.981 127 S CB -0.595 62.622 63.200 0.028 0.000 0.818 127 S HN 0.635 nan 8.310 nan 0.000 0.472 128 Q N 1.155 120.997 119.800 0.070 0.000 2.079 128 Q HA 0.072 4.413 4.340 0.002 0.000 0.200 128 Q C 2.611 178.709 176.000 0.163 0.000 0.974 128 Q CA 1.323 57.191 55.803 0.108 0.000 0.840 128 Q CB -0.511 28.285 28.738 0.097 0.000 0.898 128 Q HN 0.752 nan 8.270 nan 0.000 0.430 129 A N 1.479 124.373 122.820 0.123 0.000 1.845 129 A HA -0.215 4.106 4.320 0.002 0.000 0.215 129 A C 2.002 179.655 177.584 0.116 0.000 1.195 129 A CA 1.401 53.504 52.037 0.109 0.000 0.616 129 A CB -0.504 18.349 19.000 -0.246 0.000 0.832 129 A HN 0.221 nan 8.150 nan 0.000 0.443 130 R N -0.399 120.127 120.500 0.043 0.000 2.112 130 R HA -0.204 4.137 4.340 0.002 0.000 0.242 130 R C 2.079 178.449 176.300 0.116 0.000 1.137 130 R CA 1.611 57.748 56.100 0.060 0.000 0.944 130 R CB -0.698 29.620 30.300 0.030 0.000 0.857 130 R HN 0.662 nan 8.270 nan 0.000 0.435 131 D N 0.421 120.897 120.400 0.126 0.000 2.106 131 D HA -0.218 4.423 4.640 0.002 0.000 0.191 131 D C 1.697 178.103 176.300 0.178 0.000 0.997 131 D CA 1.349 55.434 54.000 0.141 0.000 0.834 131 D CB -0.121 40.764 40.800 0.141 0.000 0.956 131 D HN 0.125 nan 8.370 nan 0.000 0.448 132 F N 1.288 121.325 119.950 0.144 0.000 2.171 132 F HA -0.139 4.389 4.527 0.002 0.000 0.300 132 F C 2.202 178.139 175.800 0.230 0.000 1.090 132 F CA 0.880 59.001 58.000 0.201 0.000 1.293 132 F CB -0.249 38.874 39.000 0.205 0.000 1.013 132 F HN -0.046 nan 8.300 nan 0.000 0.486 133 I N 0.729 121.285 120.570 -0.023 0.000 2.394 133 I HA -0.263 3.908 4.170 0.002 0.000 0.251 133 I C 1.811 177.927 176.117 -0.003 0.000 1.136 133 I CA 0.998 62.291 61.300 -0.013 0.000 1.425 133 I CB -1.431 36.677 38.000 0.181 0.000 1.079 133 I HN 0.237 nan 8.210 nan 0.000 0.425 134 N N 0.864 119.585 118.700 0.035 0.000 2.171 134 N HA -0.155 4.586 4.740 0.002 0.000 0.184 134 N C 1.823 177.266 175.510 -0.111 0.000 1.021 134 N CA 1.006 54.071 53.050 0.026 0.000 0.854 134 N CB -0.311 38.248 38.487 0.119 0.000 0.994 134 N HN 0.464 nan 8.380 nan 0.000 0.426 135 Q N -0.338 119.400 119.800 -0.104 0.000 2.061 135 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 135 Q C 1.802 177.547 176.000 -0.425 0.000 0.984 135 Q CA 1.317 57.066 55.803 -0.090 0.000 0.846 135 Q CB -0.295 28.529 28.738 0.144 0.000 0.902 135 Q HN 0.429 nan 8.270 nan 0.000 0.421 136 Y N 0.218 120.014 120.300 -0.840 0.000 2.053 136 Y HA -0.329 4.222 4.550 0.002 0.000 0.277 136 Y C 1.824 177.166 175.900 -0.930 0.000 1.159 136 Y CA 1.848 59.182 58.100 -1.276 0.000 1.125 136 Y CB -0.619 37.217 38.460 -1.041 0.000 0.969 136 Y HN 0.101 nan 8.280 nan 0.000 0.492 137 Y N -0.316 119.567 120.300 -0.695 0.000 2.352 137 Y HA -0.189 4.362 4.550 0.002 0.000 0.292 137 Y C 2.718 178.308 175.900 -0.516 0.000 1.136 137 Y CA 1.589 59.286 58.100 -0.672 0.000 1.227 137 Y CB -0.489 37.511 38.460 -0.766 0.000 0.991 137 Y HN 0.098 nan 8.280 nan 0.000 0.545 138 S N -0.973 114.541 115.700 -0.310 0.000 2.402 138 S HA -0.217 4.254 4.470 0.002 0.000 0.229 138 S C 2.252 176.703 174.600 -0.248 0.000 1.021 138 S CA 1.151 59.235 58.200 -0.193 0.000 0.974 138 S CB -0.523 62.609 63.200 -0.114 0.000 0.800 138 S HN 0.536 nan 8.310 nan 0.000 0.484 139 S N 2.444 117.890 115.700 -0.423 0.000 2.370 139 S HA -0.091 4.380 4.470 0.002 0.000 0.226 139 S C 1.642 176.013 174.600 -0.381 0.000 1.033 139 S CA 1.349 59.303 58.200 -0.410 0.000 1.011 139 S CB -0.548 62.170 63.200 -0.804 0.000 0.852 139 S HN 0.680 nan 8.310 nan 0.000 0.457 140 I N -2.669 117.581 120.570 -0.534 0.000 3.861 140 I HA 0.401 4.572 4.170 0.002 0.000 0.329 140 I C 0.857 176.839 176.117 -0.225 0.000 1.321 140 I CA -0.134 60.934 61.300 -0.388 0.000 1.126 140 I CB -0.276 37.417 38.000 -0.513 0.000 1.018 140 I HN 0.173 nan 8.210 nan 0.000 0.407 141 K N 0.734 121.022 120.400 -0.186 0.000 3.571 141 K HA -0.237 4.084 4.320 0.002 0.000 0.275 141 K C 0.862 177.426 176.600 -0.061 0.000 1.034 141 K CA 1.810 58.037 56.287 -0.101 0.000 1.116 141 K CB -1.272 31.183 32.500 -0.074 0.000 1.386 141 K HN 0.427 nan 8.250 nan 0.000 0.466 142 R N 1.982 122.448 120.500 -0.056 0.000 2.858 142 R HA 0.103 4.444 4.340 0.002 0.000 0.228 142 R C 0.538 176.896 176.300 0.095 0.000 1.471 142 R CA 0.176 56.297 56.100 0.034 0.000 1.342 142 R CB 0.199 30.547 30.300 0.080 0.000 1.152 142 R HN 0.159 nan 8.270 nan 0.000 0.521 143 S N -0.425 115.298 115.700 0.040 0.000 2.580 143 S HA 0.157 4.628 4.470 0.002 0.000 0.266 143 S C 1.570 176.267 174.600 0.162 0.000 1.354 143 S CA 0.430 58.679 58.200 0.082 0.000 1.008 143 S CB 0.522 63.741 63.200 0.032 0.000 0.898 143 S HN 0.648 nan 8.310 nan 0.000 0.555 144 G N 1.575 110.583 108.800 0.346 0.000 2.291 144 G HA2 -0.322 3.639 3.960 0.002 0.000 0.287 144 G HA3 -0.322 3.639 3.960 0.002 0.000 0.287 144 G C 0.486 175.396 174.900 0.018 0.000 0.998 144 G CA 1.224 46.384 45.100 0.101 0.000 0.728 144 G HN 1.401 nan 8.290 nan 0.000 0.519 145 S N -1.823 113.904 115.700 0.046 0.000 2.477 145 S HA 0.439 4.910 4.470 0.002 0.000 0.261 145 S C 1.452 176.028 174.600 -0.041 0.000 1.197 145 S CA 0.643 58.846 58.200 0.005 0.000 1.015 145 S CB 0.718 63.939 63.200 0.034 0.000 1.077 145 S HN 0.486 nan 8.310 nan 0.000 0.505 146 Q N 0.143 119.925 119.800 -0.030 0.000 1.984 146 Q HA 0.057 4.398 4.340 0.002 0.000 0.196 146 Q C 2.348 178.305 176.000 -0.071 0.000 0.975 146 Q CA 1.070 56.845 55.803 -0.047 0.000 0.827 146 Q CB -0.996 27.731 28.738 -0.019 0.000 0.894 146 Q HN 0.867 nan 8.270 nan 0.000 0.438 147 A N 0.760 123.564 122.820 -0.028 0.000 2.023 147 A HA -0.331 3.990 4.320 0.002 0.000 0.223 147 A C 1.895 179.319 177.584 -0.268 0.000 1.180 147 A CA 2.145 54.176 52.037 -0.010 0.000 0.659 147 A CB -1.284 17.827 19.000 0.185 0.000 0.817 147 A HN 0.770 nan 8.150 nan 0.000 0.466 148 H N -1.343 117.298 119.070 -0.716 0.000 2.261 148 H HA -0.115 4.442 4.556 0.002 0.000 0.301 148 H C 2.265 177.300 175.328 -0.487 0.000 1.067 148 H CA 1.284 56.652 56.048 -1.133 0.000 1.297 148 H CB -0.113 29.145 29.762 -0.840 0.000 1.377 148 H HN 0.627 nan 8.280 nan 0.000 0.492 149 E N 0.288 120.301 120.200 -0.312 0.000 2.114 149 E HA -0.235 4.116 4.350 0.002 0.000 0.199 149 E C 2.036 178.544 176.600 -0.153 0.000 1.008 149 E CA 1.780 58.018 56.400 -0.269 0.000 0.810 149 E CB 0.067 29.647 29.700 -0.199 0.000 0.739 149 E HN 0.638 nan 8.360 nan 0.000 0.456 150 E N -0.355 119.780 120.200 -0.108 0.000 2.072 150 E HA -0.190 4.161 4.350 0.002 0.000 0.190 150 E C 2.203 178.789 176.600 -0.023 0.000 0.982 150 E CA 0.786 57.155 56.400 -0.051 0.000 0.803 150 E CB -0.071 29.616 29.700 -0.023 0.000 0.755 150 E HN -0.009 nan 8.360 nan 0.000 0.453 151 R N 1.320 121.809 120.500 -0.018 0.000 2.152 151 R HA -0.076 4.265 4.340 0.002 0.000 0.232 151 R C 1.898 178.224 176.300 0.044 0.000 1.117 151 R CA 1.072 57.207 56.100 0.058 0.000 0.981 151 R CB -0.510 29.886 30.300 0.160 0.000 0.870 151 R HN 0.180 nan 8.270 nan 0.000 0.451 152 L N -0.148 121.071 121.223 -0.006 0.000 2.217 152 L HA -0.082 4.259 4.340 0.002 0.000 0.211 152 L C 2.294 179.139 176.870 -0.041 0.000 1.107 152 L CA 1.223 56.049 54.840 -0.023 0.000 0.783 152 L CB -0.224 41.785 42.059 -0.083 0.000 0.919 152 L HN 0.280 nan 8.230 nan 0.000 0.442 153 Q N -0.418 119.360 119.800 -0.038 0.000 2.123 153 Q HA -0.177 4.164 4.340 0.002 0.000 0.199 153 Q C 2.026 178.021 176.000 -0.009 0.000 0.966 153 Q CA 1.104 56.889 55.803 -0.029 0.000 0.845 153 Q CB 0.058 28.780 28.738 -0.027 0.000 0.907 153 Q HN 0.468 nan 8.270 nan 0.000 0.439 154 E N -0.082 120.124 120.200 0.010 0.000 2.085 154 E HA -0.186 4.165 4.350 0.002 0.000 0.194 154 E C 2.045 178.664 176.600 0.032 0.000 0.994 154 E CA 1.584 58.007 56.400 0.038 0.000 0.801 154 E CB 0.051 29.793 29.700 0.069 0.000 0.743 154 E HN 0.168 nan 8.360 nan 0.000 0.453 155 V N 1.572 121.473 119.914 -0.021 0.000 2.270 155 V HA -0.226 3.895 4.120 0.002 0.000 0.245 155 V C 2.219 178.245 176.094 -0.114 0.000 1.043 155 V CA 1.600 63.811 62.300 -0.149 0.000 1.014 155 V CB -0.578 31.043 31.823 -0.336 0.000 0.645 155 V HN 0.177 nan 8.190 nan 0.000 0.447 156 E N 0.654 120.806 120.200 -0.080 0.000 2.048 156 E HA -0.306 4.045 4.350 0.002 0.000 0.202 156 E C 2.385 178.976 176.600 -0.016 0.000 1.021 156 E CA 1.916 58.286 56.400 -0.050 0.000 0.825 156 E CB -0.546 29.131 29.700 -0.039 0.000 0.756 156 E HN 0.573 nan 8.360 nan 0.000 0.454 157 A N 1.229 124.049 122.820 -0.000 0.000 1.851 157 A HA -0.262 4.059 4.320 0.002 0.000 0.216 157 A C 2.151 179.761 177.584 0.042 0.000 1.195 157 A CA 2.010 54.059 52.037 0.020 0.000 0.622 157 A CB -0.707 18.307 19.000 0.024 0.000 0.831 157 A HN 0.334 nan 8.150 nan 0.000 0.444 158 E N -0.440 119.800 120.200 0.067 0.000 2.085 158 E HA -0.151 4.200 4.350 0.002 0.000 0.194 158 E C 1.895 178.564 176.600 0.114 0.000 0.994 158 E CA 1.549 58.018 56.400 0.115 0.000 0.801 158 E CB -0.151 29.666 29.700 0.194 0.000 0.743 158 E HN 0.329 nan 8.360 nan 0.000 0.453 159 V N 0.999 120.965 119.914 0.087 0.000 2.343 159 V HA -0.249 3.872 4.120 0.002 0.000 0.247 159 V C 2.397 178.523 176.094 0.052 0.000 1.051 159 V CA 1.785 64.133 62.300 0.080 0.000 1.036 159 V CB -0.752 31.087 31.823 0.028 0.000 0.654 159 V HN 0.435 nan 8.190 nan 0.000 0.451 160 A N -0.628 122.212 122.820 0.033 0.000 2.015 160 A HA -0.146 4.175 4.320 0.002 0.000 0.219 160 A C 2.422 180.025 177.584 0.031 0.000 1.163 160 A CA 2.123 54.175 52.037 0.025 0.000 0.646 160 A CB -0.367 18.642 19.000 0.015 0.000 0.806 160 A HN 0.525 nan 8.150 nan 0.000 0.448 161 S N -1.147 114.578 115.700 0.042 0.000 2.412 161 S HA -0.044 4.427 4.470 0.002 0.000 0.223 161 S C 2.016 176.646 174.600 0.049 0.000 1.048 161 S CA 1.426 59.651 58.200 0.042 0.000 0.954 161 S CB -0.136 63.091 63.200 0.045 0.000 0.840 161 S HN 0.849 nan 8.310 nan 0.000 0.503 162 T N -1.947 112.646 114.554 0.065 0.000 3.023 162 T HA 0.445 4.797 4.350 0.002 0.000 0.253 162 T C 1.452 176.188 174.700 0.060 0.000 1.038 162 T CA 0.883 63.025 62.100 0.069 0.000 0.962 162 T CB 0.447 69.375 68.868 0.099 0.000 1.018 162 T HN 0.549 nan 8.240 nan 0.000 0.521 163 G N 0.149 108.985 108.800 0.059 0.000 2.179 163 G HA2 -0.187 3.774 3.960 0.002 0.000 0.260 163 G HA3 -0.187 3.774 3.960 0.002 0.000 0.260 163 G C 0.197 175.132 174.900 0.059 0.000 0.977 163 G CA 0.525 45.655 45.100 0.049 0.000 0.641 163 G HN 1.062 nan 8.290 nan 0.000 0.533 164 T N -1.573 113.032 114.554 0.086 0.000 2.693 164 T HA 0.681 5.032 4.350 0.002 0.000 0.304 164 T C -0.991 173.819 174.700 0.185 0.000 1.471 164 T CA 0.415 62.572 62.100 0.094 0.000 0.993 164 T CB 1.351 70.184 68.868 -0.059 0.000 1.554 164 T HN 1.518 nan 8.240 nan 0.000 0.496 165 Y N -0.800 119.426 120.300 -0.122 0.000 2.900 165 Y HA 0.875 5.426 4.550 0.002 0.000 0.318 165 Y C -1.350 174.370 175.900 -0.300 0.000 1.457 165 Y CA -1.184 56.896 58.100 -0.033 0.000 1.082 165 Y CB 0.842 39.329 38.460 0.045 0.000 1.419 165 Y HN 0.787 nan 8.280 nan 0.000 0.459 166 H N -0.063 118.938 119.070 -0.115 0.000 2.946 166 H HA 0.681 5.238 4.556 0.002 0.000 0.365 166 H C -1.188 174.130 175.328 -0.016 0.000 1.197 166 H CA -0.870 55.067 56.048 -0.185 0.000 1.131 166 H CB 1.947 31.688 29.762 -0.035 0.000 1.849 166 H HN 0.687 nan 8.280 nan 0.000 0.555 167 L N 1.024 122.307 121.223 0.101 0.000 2.387 167 L HA 0.587 4.928 4.340 0.002 0.000 0.266 167 L C 0.154 177.089 176.870 0.108 0.000 1.059 167 L CA -0.834 54.091 54.840 0.140 0.000 0.801 167 L CB 1.083 43.197 42.059 0.091 0.000 1.223 167 L HN 0.368 nan 8.230 nan 0.000 0.456 168 R N 0.289 120.828 120.500 0.065 0.000 2.474 168 R HA 0.141 4.482 4.340 0.002 0.000 0.295 168 R C 0.574 176.866 176.300 -0.014 0.000 0.980 168 R CA -0.612 55.500 56.100 0.019 0.000 0.934 168 R CB 1.823 32.120 30.300 -0.005 0.000 1.101 168 R HN 0.621 nan 8.270 nan 0.000 0.469 169 E N 1.848 122.043 120.200 -0.008 0.000 2.181 169 E HA -0.363 3.988 4.350 0.002 0.000 0.225 169 E C 1.357 177.953 176.600 -0.007 0.000 1.073 169 E CA 3.084 59.475 56.400 -0.015 0.000 0.916 169 E CB -0.067 29.631 29.700 -0.004 0.000 0.793 169 E HN 0.671 nan 8.360 nan 0.000 0.472 170 S N -0.071 115.628 115.700 -0.003 0.000 2.356 170 S HA -0.245 4.226 4.470 0.002 0.000 0.223 170 S C 1.930 176.564 174.600 0.057 0.000 1.032 170 S CA 1.387 59.614 58.200 0.045 0.000 1.005 170 S CB -0.575 62.666 63.200 0.068 0.000 0.867 170 S HN 0.473 nan 8.310 nan 0.000 0.449 171 E N 1.307 121.408 120.200 -0.164 0.000 2.031 171 E HA -0.103 4.248 4.350 0.002 0.000 0.193 171 E C 2.143 178.885 176.600 0.237 0.000 0.994 171 E CA 1.229 57.564 56.400 -0.108 0.000 0.800 171 E CB -0.442 29.169 29.700 -0.148 0.000 0.752 171 E HN 0.422 nan 8.360 nan 0.000 0.447 172 L N 1.189 122.449 121.223 0.061 0.000 2.043 172 L HA -0.203 4.138 4.340 0.002 0.000 0.212 172 L C 2.258 179.116 176.870 -0.019 0.000 1.075 172 L CA 1.456 56.260 54.840 -0.060 0.000 0.752 172 L CB -0.294 41.668 42.059 -0.162 0.000 0.891 172 L HN -0.041 nan 8.230 nan 0.000 0.432 173 V N -0.560 119.381 119.914 0.045 0.000 2.343 173 V HA -0.303 3.818 4.120 0.002 0.000 0.247 173 V C 2.273 178.470 176.094 0.172 0.000 1.051 173 V CA 2.087 64.426 62.300 0.065 0.000 1.036 173 V CB -0.987 30.877 31.823 0.069 0.000 0.654 173 V HN 0.595 nan 8.190 nan 0.000 0.451 174 F N 2.137 122.187 119.950 0.165 0.000 2.084 174 F HA 0.009 4.537 4.527 0.002 0.000 0.296 174 F C 2.224 178.185 175.800 0.267 0.000 1.111 174 F CA 1.713 59.865 58.000 0.253 0.000 1.224 174 F CB -1.000 38.235 39.000 0.392 0.000 0.991 174 F HN 0.122 nan 8.300 nan 0.000 0.471 175 G N 0.020 108.931 108.800 0.184 0.000 2.440 175 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 175 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 175 G C 1.832 176.597 174.900 -0.225 0.000 1.154 175 G CA 1.105 46.158 45.100 -0.077 0.000 0.767 175 G HN 0.676 nan 8.290 nan 0.000 0.552 176 A N 1.008 123.731 122.820 -0.162 0.000 1.851 176 A HA -0.080 4.241 4.320 0.002 0.000 0.216 176 A C 2.299 179.884 177.584 0.003 0.000 1.195 176 A CA 2.155 54.112 52.037 -0.134 0.000 0.622 176 A CB -0.520 18.436 19.000 -0.073 0.000 0.831 176 A HN 0.375 nan 8.150 nan 0.000 0.444 177 K N -1.216 119.229 120.400 0.075 0.000 2.113 177 K HA -0.238 4.083 4.320 0.002 0.000 0.208 177 K C 2.373 179.037 176.600 0.107 0.000 1.047 177 K CA 1.763 58.195 56.287 0.241 0.000 0.928 177 K CB -0.134 32.540 32.500 0.291 0.000 0.716 177 K HN 0.437 nan 8.250 nan 0.000 0.446 178 Q N 0.350 120.033 119.800 -0.195 0.000 2.079 178 Q HA -0.022 4.319 4.340 0.002 0.000 0.200 178 Q C 1.900 177.765 176.000 -0.226 0.000 0.974 178 Q CA 1.724 57.319 55.803 -0.346 0.000 0.840 178 Q CB -0.268 28.147 28.738 -0.537 0.000 0.898 178 Q HN 0.333 nan 8.270 nan 0.000 0.430 179 A N -0.703 121.993 122.820 -0.206 0.000 1.940 179 A HA -0.183 4.138 4.320 0.002 0.000 0.219 179 A C 1.809 179.435 177.584 0.071 0.000 1.176 179 A CA 1.538 53.422 52.037 -0.255 0.000 0.631 179 A CB -1.050 17.524 19.000 -0.710 0.000 0.814 179 A HN 0.675 nan 8.150 nan 0.000 0.446 180 W N 0.734 122.043 121.300 0.015 0.000 2.453 180 W HA -0.012 4.649 4.660 0.002 0.000 0.289 180 W C 2.196 178.671 176.519 -0.073 0.000 1.215 180 W CA 1.123 58.509 57.345 0.069 0.000 1.297 180 W CB -0.519 28.979 29.460 0.062 0.000 1.113 180 W HN 0.334 nan 8.180 nan 0.000 0.551 181 R N 0.488 120.861 120.500 -0.211 0.000 2.152 181 R HA -0.149 4.192 4.340 0.002 0.000 0.232 181 R C 1.258 177.360 176.300 -0.329 0.000 1.117 181 R CA 1.676 57.426 56.100 -0.582 0.000 0.981 181 R CB -0.453 29.183 30.300 -1.107 0.000 0.870 181 R HN 0.116 nan 8.270 nan 0.000 0.451 182 N N 0.348 118.934 118.700 -0.191 0.000 2.353 182 N HA 0.032 4.773 4.740 0.002 0.000 0.185 182 N C -0.251 175.213 175.510 -0.077 0.000 1.098 182 N CA 0.507 53.475 53.050 -0.137 0.000 0.872 182 N CB 0.559 38.972 38.487 -0.123 0.000 0.970 182 N HN 0.123 nan 8.380 nan 0.000 0.467 183 A N 3.305 126.129 122.820 0.007 0.000 2.507 183 A HA 0.091 4.412 4.320 0.002 0.000 0.281 183 A C -0.857 176.705 177.584 -0.037 0.000 1.154 183 A CA -0.761 51.283 52.037 0.013 0.000 0.828 183 A CB 0.218 19.267 19.000 0.082 0.000 1.069 183 A HN 0.070 nan 8.150 nan 0.000 0.522 184 P HA -0.150 nan 4.420 nan 0.000 0.220 184 P C 0.919 178.169 177.300 -0.082 0.000 1.148 184 P CA 1.089 64.130 63.100 -0.098 0.000 0.803 184 P CB 0.184 31.791 31.700 -0.155 0.000 0.782 185 R N -1.548 118.882 120.500 -0.117 0.000 2.317 185 R HA 0.136 4.477 4.340 0.002 0.000 0.208 185 R C 0.577 176.896 176.300 0.032 0.000 0.914 185 R CA -0.198 55.867 56.100 -0.060 0.000 1.060 185 R CB -0.325 29.809 30.300 -0.277 0.000 1.015 185 R HN 0.166 nan 8.270 nan 0.000 0.498 186 C N 0.316 119.611 119.300 -0.007 0.000 2.347 186 C HA 0.241 4.702 4.460 0.002 0.000 0.353 186 C C 1.701 176.648 174.990 -0.073 0.000 1.273 186 C CA -0.620 58.413 59.018 0.024 0.000 1.861 186 C CB 0.879 28.697 27.740 0.131 0.000 2.420 186 C HN 0.260 nan 8.230 nan 0.000 0.542 187 V N 5.910 125.753 119.914 -0.118 0.000 3.647 187 V HA 0.279 4.400 4.120 0.002 0.000 0.279 187 V C 1.618 177.752 176.094 0.067 0.000 1.314 187 V CA 1.634 63.801 62.300 -0.221 0.000 1.125 187 V CB 0.044 31.710 31.823 -0.262 0.000 0.907 187 V HN 1.084 nan 8.190 nan 0.000 0.434 188 G N -0.542 108.312 108.800 0.090 0.000 3.337 188 G HA2 0.062 4.023 3.960 0.002 0.000 0.246 188 G HA3 0.062 4.023 3.960 0.002 0.000 0.246 188 G C 1.223 176.175 174.900 0.087 0.000 1.131 188 G CA -0.314 44.849 45.100 0.105 0.000 0.773 188 G HN 0.425 nan 8.290 nan 0.000 0.544 189 R N -0.245 120.210 120.500 -0.076 0.000 2.293 189 R HA -0.014 4.327 4.340 0.002 0.000 0.219 189 R C 2.068 177.981 176.300 -0.644 0.000 1.091 189 R CA 0.321 56.078 56.100 -0.573 0.000 1.004 189 R CB -0.183 29.689 30.300 -0.713 0.000 0.865 189 R HN 0.430 nan 8.270 nan 0.000 0.469 190 I N 1.133 121.511 120.570 -0.319 0.000 2.567 190 I HA -0.250 3.921 4.170 0.002 0.000 0.257 190 I C 1.543 177.634 176.117 -0.042 0.000 1.184 190 I CA 1.621 62.913 61.300 -0.014 0.000 1.451 190 I CB 0.072 38.127 38.000 0.091 0.000 1.089 190 I HN 0.098 nan 8.210 nan 0.000 0.441 191 Q N 0.024 119.735 119.800 -0.149 0.000 2.425 191 Q HA -0.083 4.258 4.340 0.002 0.000 0.204 191 Q C 1.779 177.470 176.000 -0.514 0.000 0.933 191 Q CA 0.645 56.356 55.803 -0.153 0.000 0.939 191 Q CB -0.508 28.289 28.738 0.099 0.000 1.044 191 Q HN 0.853 nan 8.270 nan 0.000 0.513 192 W N 0.688 121.293 121.300 -1.158 0.000 2.316 192 W HA -0.186 4.475 4.660 0.002 0.000 0.279 192 W C 1.136 177.367 176.519 -0.480 0.000 1.208 192 W CA 1.139 57.633 57.345 -1.418 0.000 1.182 192 W CB -1.254 27.556 29.460 -1.084 0.000 1.134 192 W HN 0.040 nan 8.180 nan 0.000 0.560 193 G N 1.477 109.672 108.800 -1.008 0.000 2.394 193 G HA2 -0.169 3.792 3.960 0.002 0.000 0.215 193 G HA3 -0.169 3.792 3.960 0.002 0.000 0.215 193 G C 0.775 175.489 174.900 -0.311 0.000 1.165 193 G CA 0.114 44.681 45.100 -0.888 0.000 0.784 193 G HN 0.211 nan 8.290 nan 0.000 0.535 194 K N 0.583 120.902 120.400 -0.134 0.000 2.183 194 K HA 0.413 4.734 4.320 0.002 0.000 0.272 194 K C -1.454 175.248 176.600 0.169 0.000 1.113 194 K CA -0.369 55.935 56.287 0.028 0.000 0.949 194 K CB 1.136 33.685 32.500 0.083 0.000 1.365 194 K HN 0.118 nan 8.250 nan 0.000 0.420 195 L N 2.473 123.776 121.223 0.134 0.000 2.406 195 L HA 0.214 4.555 4.340 0.002 0.000 0.272 195 L C -1.059 175.804 176.870 -0.013 0.000 0.980 195 L CA -0.607 54.327 54.840 0.156 0.000 0.831 195 L CB 1.842 44.075 42.059 0.290 0.000 1.253 195 L HN 0.327 nan 8.230 nan 0.000 0.406 196 Q N 3.547 123.285 119.800 -0.103 0.000 2.344 196 Q HA 0.398 4.739 4.340 0.002 0.000 0.253 196 Q C -1.396 174.235 176.000 -0.616 0.000 1.050 196 Q CA 0.077 55.642 55.803 -0.396 0.000 0.912 196 Q CB 0.681 29.111 28.738 -0.513 0.000 1.258 196 Q HN 0.520 nan 8.270 nan 0.000 0.443 197 V N 6.430 126.047 119.914 -0.494 0.000 2.364 197 V HA 0.335 4.456 4.120 0.002 0.000 0.272 197 V C -0.515 175.302 176.094 -0.463 0.000 1.036 197 V CA -0.434 61.634 62.300 -0.388 0.000 0.880 197 V CB 0.029 31.744 31.823 -0.180 0.000 0.991 197 V HN 0.570 nan 8.190 nan 0.000 0.460 198 F N 2.769 122.632 119.950 -0.145 0.000 2.405 198 F HA 0.382 4.910 4.527 0.002 0.000 0.355 198 F C 0.478 176.150 175.800 -0.212 0.000 1.121 198 F CA -1.232 56.674 58.000 -0.156 0.000 1.112 198 F CB 1.040 39.963 39.000 -0.128 0.000 1.126 198 F HN 0.399 nan 8.300 nan 0.000 0.481 199 D N 2.980 123.384 120.400 0.007 0.000 2.365 199 D HA 0.414 5.055 4.640 0.002 0.000 0.237 199 D C 0.085 176.249 176.300 -0.227 0.000 1.190 199 D CA 0.040 53.964 54.000 -0.126 0.000 0.867 199 D CB 1.185 41.943 40.800 -0.071 0.000 1.050 199 D HN 0.617 nan 8.370 nan 0.000 0.491 200 A N 4.551 127.060 122.820 -0.517 0.000 2.630 200 A HA 0.156 4.477 4.320 0.002 0.000 0.290 200 A C 1.557 178.803 177.584 -0.563 0.000 1.267 200 A CA -0.381 51.065 52.037 -0.985 0.000 0.950 200 A CB 0.016 17.895 19.000 -1.868 0.000 1.144 200 A HN 0.542 nan 8.150 nan 0.000 0.527 201 R N 0.821 121.147 120.500 -0.291 0.000 2.357 201 R HA -0.072 4.269 4.340 0.002 0.000 0.202 201 R C 0.005 176.250 176.300 -0.092 0.000 1.047 201 R CA 1.118 57.129 56.100 -0.148 0.000 1.034 201 R CB 0.020 30.295 30.300 -0.041 0.000 0.875 201 R HN 0.633 nan 8.270 nan 0.000 0.473 202 D N -1.015 119.342 120.400 -0.072 0.000 2.587 202 D HA 0.007 4.648 4.640 0.002 0.000 0.233 202 D C -0.380 175.973 176.300 0.088 0.000 1.213 202 D CA -0.415 53.601 54.000 0.026 0.000 0.827 202 D CB -0.506 40.334 40.800 0.066 0.000 1.006 202 D HN -0.070 nan 8.370 nan 0.000 0.490 203 C N 1.052 120.372 119.300 0.032 0.000 2.435 203 C HA 0.501 4.962 4.460 0.002 0.000 0.375 203 C C 1.423 176.554 174.990 0.235 0.000 1.281 203 C CA -0.066 59.048 59.018 0.160 0.000 1.963 203 C CB 0.294 28.114 27.740 0.133 0.000 2.490 203 C HN 0.534 nan 8.230 nan 0.000 0.557 204 S N 1.450 117.326 115.700 0.292 0.000 2.819 204 S HA 0.325 4.797 4.470 0.002 0.000 0.249 204 S C -0.127 174.626 174.600 0.254 0.000 1.030 204 S CA -0.013 58.369 58.200 0.304 0.000 1.052 204 S CB -0.132 63.184 63.200 0.193 0.000 1.017 204 S HN 1.068 nan 8.310 nan 0.000 0.576 205 S N -0.537 115.326 115.700 0.272 0.000 2.565 205 S HA 0.756 5.227 4.470 0.002 0.000 0.274 205 S C 0.706 175.402 174.600 0.160 0.000 1.144 205 S CA -0.361 57.944 58.200 0.176 0.000 0.849 205 S CB 0.843 64.130 63.200 0.144 0.000 1.103 205 S HN 0.604 nan 8.310 nan 0.000 0.455 206 A N 0.958 123.843 122.820 0.108 0.000 1.978 206 A HA -0.115 4.206 4.320 0.002 0.000 0.220 206 A C 2.029 179.576 177.584 -0.060 0.000 1.170 206 A CA 1.959 54.021 52.037 0.043 0.000 0.636 206 A CB -0.946 18.141 19.000 0.145 0.000 0.810 206 A HN 0.907 nan 8.150 nan 0.000 0.448 207 Q N -0.764 119.120 119.800 0.141 0.000 2.230 207 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 207 Q C 1.821 177.876 176.000 0.091 0.000 0.963 207 Q CA 1.288 57.185 55.803 0.157 0.000 0.866 207 Q CB -0.047 28.881 28.738 0.316 0.000 0.931 207 Q HN 0.795 nan 8.270 nan 0.000 0.452 208 E N -0.246 120.027 120.200 0.121 0.000 2.112 208 E HA -0.122 4.229 4.350 0.002 0.000 0.190 208 E C 1.990 178.754 176.600 0.273 0.000 0.979 208 E CA 0.863 57.365 56.400 0.170 0.000 0.814 208 E CB 0.065 29.912 29.700 0.246 0.000 0.762 208 E HN 0.422 nan 8.360 nan 0.000 0.460 209 M N 0.021 119.737 119.600 0.194 0.000 2.080 209 M HA -0.174 4.307 4.480 0.002 0.000 0.260 209 M C 2.191 178.578 176.300 0.145 0.000 1.068 209 M CA 1.497 56.879 55.300 0.136 0.000 1.109 209 M CB -0.410 32.032 32.600 -0.264 0.000 1.342 209 M HN 0.182 nan 8.290 nan 0.000 0.405 210 F N 1.026 120.793 119.950 -0.304 0.000 2.091 210 F HA -0.308 4.220 4.527 0.002 0.000 0.299 210 F C 2.223 177.943 175.800 -0.133 0.000 1.103 210 F CA 1.675 59.445 58.000 -0.383 0.000 1.228 210 F CB -0.098 38.420 39.000 -0.803 0.000 0.984 210 F HN 0.102 nan 8.300 nan 0.000 0.477 211 T N -0.133 114.283 114.554 -0.230 0.000 2.674 211 T HA -0.255 4.096 4.350 0.002 0.000 0.265 211 T C 1.461 176.007 174.700 -0.256 0.000 1.039 211 T CA 1.953 63.834 62.100 -0.365 0.000 1.150 211 T CB -0.907 67.770 68.868 -0.319 0.000 0.864 211 T HN 0.350 nan 8.240 nan 0.000 0.427 212 Y N 1.127 121.404 120.300 -0.039 0.000 2.081 212 Y HA -0.133 4.418 4.550 0.002 0.000 0.280 212 Y C 2.423 178.324 175.900 0.003 0.000 1.163 212 Y CA 1.102 59.188 58.100 -0.024 0.000 1.135 212 Y CB -0.505 38.018 38.460 0.104 0.000 0.970 212 Y HN 0.151 nan 8.280 nan 0.000 0.498 213 I N -1.416 119.326 120.570 0.285 0.000 2.264 213 I HA -0.390 3.781 4.170 0.002 0.000 0.248 213 I C 2.287 178.453 176.117 0.082 0.000 1.111 213 I CA 1.125 62.543 61.300 0.197 0.000 1.382 213 I CB -0.499 37.618 38.000 0.195 0.000 1.060 213 I HN 0.381 nan 8.210 nan 0.000 0.418 214 C N 0.577 119.836 119.300 -0.069 0.000 2.435 214 C HA -0.089 4.372 4.460 0.002 0.000 0.279 214 C C 2.568 177.511 174.990 -0.078 0.000 1.321 214 C CA 0.652 59.591 59.018 -0.133 0.000 1.752 214 C CB -1.308 26.197 27.740 -0.392 0.000 1.959 214 C HN 0.540 nan 8.230 nan 0.000 0.500 215 N N -0.120 118.510 118.700 -0.117 0.000 2.216 215 N HA -0.111 4.630 4.740 0.002 0.000 0.183 215 N C 1.436 176.903 175.510 -0.072 0.000 1.017 215 N CA 1.172 54.134 53.050 -0.147 0.000 0.861 215 N CB -0.665 37.645 38.487 -0.295 0.000 0.986 215 N HN 0.719 nan 8.380 nan 0.000 0.428 216 H N 1.395 120.391 119.070 -0.124 0.000 2.289 216 H HA -0.024 4.533 4.556 0.002 0.000 0.296 216 H C 2.206 177.630 175.328 0.160 0.000 1.091 216 H CA 1.924 58.002 56.048 0.049 0.000 1.274 216 H CB -0.144 29.682 29.762 0.108 0.000 1.364 216 H HN 0.071 nan 8.280 nan 0.000 0.490 217 I N 0.590 121.357 120.570 0.329 0.000 2.091 217 I HA -0.343 3.828 4.170 0.002 0.000 0.239 217 I C 2.485 178.695 176.117 0.155 0.000 1.061 217 I CA 1.838 63.280 61.300 0.237 0.000 1.317 217 I CB -0.392 37.694 38.000 0.144 0.000 1.031 217 I HN 0.366 nan 8.210 nan 0.000 0.401 218 K N -0.090 120.370 120.400 0.100 0.000 2.020 218 K HA -0.281 4.040 4.320 0.002 0.000 0.212 218 K C 2.218 178.873 176.600 0.090 0.000 1.050 218 K CA 2.242 58.572 56.287 0.070 0.000 0.929 218 K CB -0.586 31.937 32.500 0.038 0.000 0.714 218 K HN 0.273 nan 8.250 nan 0.000 0.443 219 Y N 1.269 121.585 120.300 0.026 0.000 2.089 219 Y HA -0.275 4.276 4.550 0.002 0.000 0.282 219 Y C 2.352 178.296 175.900 0.074 0.000 1.139 219 Y CA 1.696 59.836 58.100 0.065 0.000 1.123 219 Y CB -0.543 38.001 38.460 0.140 0.000 0.980 219 Y HN 0.084 nan 8.280 nan 0.000 0.493 220 A N -0.536 122.409 122.820 0.209 0.000 1.917 220 A HA -0.244 4.077 4.320 0.002 0.000 0.219 220 A C 2.205 179.828 177.584 0.066 0.000 1.182 220 A CA 2.589 54.704 52.037 0.130 0.000 0.633 220 A CB -1.448 17.659 19.000 0.178 0.000 0.819 220 A HN 0.566 nan 8.150 nan 0.000 0.448 221 T N -0.514 114.092 114.554 0.087 0.000 2.777 221 T HA -0.127 4.224 4.350 0.002 0.000 0.266 221 T C 1.073 175.780 174.700 0.012 0.000 1.040 221 T CA 0.981 63.129 62.100 0.080 0.000 1.141 221 T CB -0.585 68.338 68.868 0.092 0.000 0.868 221 T HN 0.746 nan 8.240 nan 0.000 0.444 222 N N 0.895 119.564 118.700 -0.052 0.000 2.701 222 N HA -0.283 4.458 4.740 0.002 0.000 0.250 222 N C -0.810 174.673 175.510 -0.046 0.000 1.046 222 N CA 0.114 53.109 53.050 -0.092 0.000 0.733 222 N CB -0.549 37.840 38.487 -0.164 0.000 0.973 222 N HN 0.405 nan 8.380 nan 0.000 0.541 223 R N -2.041 118.449 120.500 -0.017 0.000 3.332 223 R HA -0.200 4.141 4.340 0.002 0.000 0.263 223 R C 1.127 177.419 176.300 -0.014 0.000 1.053 223 R CA 0.879 56.972 56.100 -0.012 0.000 0.705 223 R CB -2.058 28.230 30.300 -0.021 0.000 1.166 223 R HN 0.746 nan 8.270 nan 0.000 0.427 224 G N -0.293 108.510 108.800 0.005 0.000 2.205 224 G HA2 -0.401 3.560 3.960 0.002 0.000 0.261 224 G HA3 -0.401 3.560 3.960 0.002 0.000 0.261 224 G C 0.047 174.945 174.900 -0.004 0.000 0.980 224 G CA 0.362 45.466 45.100 0.007 0.000 0.632 224 G HN 0.568 nan 8.290 nan 0.000 0.533 225 N N 0.770 119.454 118.700 -0.026 0.000 3.170 225 N HA 0.386 5.127 4.740 0.002 0.000 0.305 225 N C 0.409 175.890 175.510 -0.049 0.000 1.499 225 N CA -0.702 52.312 53.050 -0.059 0.000 1.110 225 N CB -0.082 38.364 38.487 -0.068 0.000 1.390 225 N HN 0.158 nan 8.380 nan 0.000 0.508 226 L N 1.769 122.994 121.223 0.003 0.000 2.581 226 L HA -0.092 4.249 4.340 0.002 0.000 0.299 226 L C 0.665 177.626 176.870 0.152 0.000 1.261 226 L CA 1.300 56.205 54.840 0.108 0.000 0.866 226 L CB 0.029 42.246 42.059 0.263 0.000 1.113 226 L HN 0.304 nan 8.230 nan 0.000 0.514 227 R N 0.901 121.513 120.500 0.188 0.000 2.514 227 R HA 0.354 4.695 4.340 0.002 0.000 0.296 227 R C -0.654 175.804 176.300 0.264 0.000 1.012 227 R CA -0.618 55.617 56.100 0.226 0.000 0.897 227 R CB 1.638 31.934 30.300 -0.006 0.000 1.184 227 R HN 0.717 nan 8.270 nan 0.000 0.440 228 S N 1.557 117.421 115.700 0.274 0.000 2.525 228 S HA 0.465 4.936 4.470 0.002 0.000 0.285 228 S C 0.121 174.760 174.600 0.066 0.000 1.283 228 S CA -0.484 57.758 58.200 0.069 0.000 1.072 228 S CB 1.175 64.315 63.200 -0.100 0.000 0.867 228 S HN 0.681 nan 8.310 nan 0.000 0.492 229 A N 3.321 126.158 122.820 0.029 0.000 2.569 229 A HA 0.901 5.222 4.320 0.002 0.000 0.290 229 A C -0.893 176.774 177.584 0.138 0.000 1.136 229 A CA -0.960 51.050 52.037 -0.045 0.000 0.710 229 A CB 1.454 20.356 19.000 -0.164 0.000 1.303 229 A HN 1.079 nan 8.150 nan 0.000 0.413 230 I N -0.273 120.378 120.570 0.134 0.000 2.913 230 I HA 0.637 4.808 4.170 0.002 0.000 0.302 230 I C -1.379 174.915 176.117 0.295 0.000 1.246 230 I CA -0.225 61.269 61.300 0.323 0.000 1.010 230 I CB 2.550 40.657 38.000 0.178 0.000 1.259 230 I HN 0.611 nan 8.210 nan 0.000 0.434 231 T N 5.457 120.160 114.554 0.249 0.000 2.890 231 T HA 0.435 4.786 4.350 0.002 0.000 0.295 231 T C -0.903 173.627 174.700 -0.285 0.000 0.993 231 T CA -0.360 61.751 62.100 0.019 0.000 0.979 231 T CB 1.553 70.413 68.868 -0.013 0.000 0.967 231 T HN 0.241 nan 8.240 nan 0.000 0.441 232 V N 4.653 124.339 119.914 -0.380 0.000 2.370 232 V HA 0.547 4.668 4.120 0.002 0.000 0.279 232 V C -0.458 175.322 176.094 -0.523 0.000 1.029 232 V CA -0.714 61.363 62.300 -0.372 0.000 0.870 232 V CB 0.266 31.842 31.823 -0.411 0.000 0.984 232 V HN 0.710 nan 8.190 nan 0.000 0.451 233 F N 4.415 124.289 119.950 -0.126 0.000 2.461 233 F HA 0.553 5.081 4.527 0.002 0.000 0.332 233 F C -1.926 173.759 175.800 -0.192 0.000 1.073 233 F CA -2.607 55.239 58.000 -0.258 0.000 1.017 233 F CB 0.531 39.373 39.000 -0.263 0.000 1.301 233 F HN 0.297 nan 8.300 nan 0.000 0.492 234 P HA -0.083 nan 4.420 nan 0.000 0.261 234 P C -0.935 176.336 177.300 -0.047 0.000 1.165 234 P CA 0.212 63.157 63.100 -0.257 0.000 0.759 234 P CB 0.100 31.346 31.700 -0.757 0.000 0.772 235 Q N 3.994 123.754 119.800 -0.067 0.000 2.524 235 Q HA 0.132 4.473 4.340 0.002 0.000 0.246 235 Q C -0.130 175.753 176.000 -0.195 0.000 1.063 235 Q CA -0.285 55.246 55.803 -0.453 0.000 0.945 235 Q CB 0.605 28.833 28.738 -0.850 0.000 1.292 235 Q HN 0.352 nan 8.270 nan 0.000 0.518 236 R N -0.038 120.324 120.500 -0.229 0.000 2.774 236 R HA 0.500 4.841 4.340 0.002 0.000 0.269 236 R C -0.674 175.568 176.300 -0.095 0.000 1.068 236 R CA 0.260 56.311 56.100 -0.083 0.000 1.180 236 R CB 0.543 30.787 30.300 -0.094 0.000 1.077 236 R HN 0.747 nan 8.270 nan 0.000 0.513 237 A N 2.245 125.048 122.820 -0.029 0.000 2.488 237 A HA 0.441 4.762 4.320 0.002 0.000 0.298 237 A C -2.506 175.070 177.584 -0.012 0.000 1.044 237 A CA -1.738 50.284 52.037 -0.024 0.000 0.693 237 A CB 1.365 20.378 19.000 0.022 0.000 1.272 237 A HN 0.510 nan 8.150 nan 0.000 0.402 238 P HA 0.251 nan 4.420 nan 0.000 0.264 238 P C 1.062 178.363 177.300 0.003 0.000 1.193 238 P CA 1.758 64.853 63.100 -0.008 0.000 0.763 238 P CB 0.901 32.597 31.700 -0.007 0.000 0.810 239 G N 2.433 111.234 108.800 0.002 0.000 2.320 239 G HA2 -0.268 3.693 3.960 0.002 0.000 0.242 239 G HA3 -0.268 3.693 3.960 0.002 0.000 0.242 239 G C 0.428 175.332 174.900 0.005 0.000 1.033 239 G CA 0.127 45.230 45.100 0.005 0.000 0.620 239 G HN 0.799 nan 8.290 nan 0.000 0.517 240 R N 1.423 121.927 120.500 0.007 0.000 2.486 240 R HA 0.557 4.898 4.340 0.002 0.000 0.286 240 R C 0.972 177.270 176.300 -0.003 0.000 0.999 240 R CA 0.183 56.285 56.100 0.003 0.000 0.993 240 R CB 0.685 30.994 30.300 0.015 0.000 1.084 240 R HN 0.346 nan 8.270 nan 0.000 0.487 241 G N 1.567 110.355 108.800 -0.021 0.000 2.606 241 G HA2 0.044 4.005 3.960 0.002 0.000 0.252 241 G HA3 0.044 4.005 3.960 0.002 0.000 0.252 241 G C -0.682 174.205 174.900 -0.020 0.000 1.206 241 G CA -0.457 44.632 45.100 -0.018 0.000 0.861 241 G HN 0.603 nan 8.290 nan 0.000 0.561 242 D N -0.335 120.075 120.400 0.016 0.000 2.302 242 D HA 0.265 4.906 4.640 0.002 0.000 0.248 242 D C -0.095 176.249 176.300 0.074 0.000 1.094 242 D CA 0.082 54.126 54.000 0.074 0.000 0.897 242 D CB 1.023 41.871 40.800 0.081 0.000 1.200 242 D HN 0.077 nan 8.370 nan 0.000 0.429 243 F N 2.109 122.081 119.950 0.037 0.000 2.495 243 F HA 0.211 4.739 4.527 0.002 0.000 0.365 243 F C 1.217 177.037 175.800 0.033 0.000 1.090 243 F CA 0.278 58.287 58.000 0.014 0.000 1.235 243 F CB 0.515 39.513 39.000 -0.003 0.000 1.119 243 F HN -0.136 nan 8.300 nan 0.000 0.562 244 R N 3.729 124.346 120.500 0.195 0.000 2.740 244 R HA 0.552 4.893 4.340 0.002 0.000 0.273 244 R C -1.275 175.149 176.300 0.206 0.000 0.998 244 R CA -0.901 55.330 56.100 0.219 0.000 0.900 244 R CB 2.218 32.704 30.300 0.311 0.000 1.223 244 R HN 0.597 nan 8.270 nan 0.000 0.466 245 I N 1.457 122.145 120.570 0.197 0.000 2.355 245 I HA 0.179 4.350 4.170 0.002 0.000 0.288 245 I C 0.371 176.676 176.117 0.313 0.000 0.999 245 I CA -0.475 60.925 61.300 0.165 0.000 1.163 245 I CB 1.433 39.472 38.000 0.064 0.000 1.316 245 I HN 0.525 nan 8.210 nan 0.000 0.454 246 W N 3.650 124.970 121.300 0.033 0.000 2.425 246 W HA -0.063 4.598 4.660 0.002 0.000 0.277 246 W C 0.880 177.480 176.519 0.134 0.000 1.231 246 W CA 0.041 57.465 57.345 0.131 0.000 1.248 246 W CB -0.743 28.774 29.460 0.094 0.000 1.117 246 W HN 0.426 nan 8.180 nan 0.000 0.568 247 N N -0.661 118.172 118.700 0.223 0.000 2.503 247 N HA 0.051 4.792 4.740 0.002 0.000 0.267 247 N C 1.085 176.637 175.510 0.070 0.000 1.214 247 N CA 0.366 53.478 53.050 0.104 0.000 0.959 247 N CB 0.661 39.156 38.487 0.012 0.000 1.142 247 N HN -0.305 nan 8.380 nan 0.000 0.455 248 S N 0.034 115.766 115.700 0.053 0.000 2.357 248 S HA -0.049 4.422 4.470 0.002 0.000 0.221 248 S C 0.283 174.870 174.600 -0.021 0.000 1.031 248 S CA 1.078 59.301 58.200 0.039 0.000 0.982 248 S CB -0.053 63.188 63.200 0.069 0.000 0.853 248 S HN 0.571 nan 8.310 nan 0.000 0.458 249 Q N -0.711 119.064 119.800 -0.041 0.000 2.433 249 Q HA 0.452 4.793 4.340 0.002 0.000 0.279 249 Q C 0.330 176.254 176.000 -0.128 0.000 1.105 249 Q CA -0.476 55.269 55.803 -0.097 0.000 0.815 249 Q CB 1.545 30.259 28.738 -0.041 0.000 1.403 249 Q HN 0.089 nan 8.270 nan 0.000 0.435 250 L N 0.172 121.304 121.223 -0.153 0.000 2.265 250 L HA 0.007 4.348 4.340 0.002 0.000 0.215 250 L C 0.225 176.978 176.870 -0.195 0.000 1.117 250 L CA 0.773 55.531 54.840 -0.138 0.000 0.782 250 L CB 0.197 42.184 42.059 -0.121 0.000 0.914 250 L HN 0.281 nan 8.230 nan 0.000 0.441 251 V N 0.569 120.292 119.914 -0.317 0.000 2.531 251 V HA 0.539 4.660 4.120 0.002 0.000 0.301 251 V C -0.433 175.142 176.094 -0.865 0.000 1.034 251 V CA -0.763 61.174 62.300 -0.605 0.000 0.865 251 V CB 1.895 33.241 31.823 -0.795 0.000 0.995 251 V HN 0.135 nan 8.190 nan 0.000 0.424 252 R N 2.625 122.710 120.500 -0.693 0.000 2.710 252 R HA 0.510 4.851 4.340 0.002 0.000 0.270 252 R C -1.933 174.144 176.300 -0.372 0.000 1.021 252 R CA -0.815 54.984 56.100 -0.501 0.000 0.889 252 R CB 1.921 32.108 30.300 -0.188 0.000 1.243 252 R HN 0.558 nan 8.270 nan 0.000 0.464 253 Y N 0.205 120.456 120.300 -0.081 0.000 2.323 253 Y HA 0.541 5.092 4.550 0.002 0.000 0.331 253 Y C 0.970 176.788 175.900 -0.135 0.000 1.092 253 Y CA -0.957 57.095 58.100 -0.079 0.000 1.150 253 Y CB 1.206 39.652 38.460 -0.024 0.000 1.200 253 Y HN 0.737 nan 8.280 nan 0.000 0.472 254 A N 1.566 124.363 122.820 -0.038 0.000 2.492 254 A HA 0.485 4.806 4.320 0.002 0.000 0.236 254 A C 0.706 178.017 177.584 -0.454 0.000 1.078 254 A CA 0.366 52.235 52.037 -0.280 0.000 0.773 254 A CB -0.308 18.459 19.000 -0.389 0.000 1.023 254 A HN 0.986 nan 8.150 nan 0.000 0.504 255 G N 0.470 109.036 108.800 -0.390 0.000 2.866 255 G HA2 0.514 4.475 3.960 0.002 0.000 0.318 255 G HA3 0.514 4.475 3.960 0.002 0.000 0.318 255 G C -0.787 174.008 174.900 -0.175 0.000 1.336 255 G CA -0.292 44.639 45.100 -0.283 0.000 1.067 255 G HN 0.598 nan 8.290 nan 0.000 0.515 256 Y N 2.260 122.570 120.300 0.017 0.000 2.627 256 Y HA 0.263 4.814 4.550 0.002 0.000 0.347 256 Y C 1.335 177.235 175.900 0.000 0.000 1.099 256 Y CA -0.926 57.186 58.100 0.020 0.000 1.408 256 Y CB 0.604 39.073 38.460 0.014 0.000 1.247 256 Y HN 0.336 nan 8.280 nan 0.000 0.506 257 R N 3.968 124.552 120.500 0.141 0.000 2.399 257 R HA 0.027 4.368 4.340 0.002 0.000 0.324 257 R C -0.209 176.136 176.300 0.075 0.000 1.030 257 R CA 0.218 56.366 56.100 0.079 0.000 0.984 257 R CB 0.372 30.705 30.300 0.055 0.000 0.961 257 R HN 0.741 nan 8.270 nan 0.000 0.433 258 Q N 1.979 121.814 119.800 0.058 0.000 2.173 258 Q HA 0.030 4.371 4.340 0.002 0.000 0.186 258 Q C 1.263 177.275 176.000 0.020 0.000 1.018 258 Q CA -0.587 55.237 55.803 0.036 0.000 1.064 258 Q CB 0.753 29.510 28.738 0.032 0.000 1.130 258 Q HN 0.647 nan 8.270 nan 0.000 0.553 259 Q N 1.104 120.909 119.800 0.009 0.000 1.914 259 Q HA -0.262 4.079 4.340 0.002 0.000 0.222 259 Q C 0.511 176.516 176.000 0.008 0.000 1.031 259 Q CA 2.010 57.816 55.803 0.004 0.000 0.886 259 Q CB -0.784 27.953 28.738 -0.001 0.000 0.982 259 Q HN 0.667 nan 8.270 nan 0.000 0.417 260 D N 0.378 120.783 120.400 0.008 0.000 2.636 260 D HA 0.060 4.701 4.640 0.002 0.000 0.256 260 D C 0.956 177.264 176.300 0.012 0.000 1.280 260 D CA 0.725 54.730 54.000 0.009 0.000 0.910 260 D CB -0.423 40.382 40.800 0.008 0.000 1.045 260 D HN 0.718 nan 8.370 nan 0.000 0.472 261 G N 0.780 109.589 108.800 0.014 0.000 2.238 261 G HA2 -0.409 3.552 3.960 0.002 0.000 0.270 261 G HA3 -0.409 3.552 3.960 0.002 0.000 0.270 261 G C 0.720 175.631 174.900 0.018 0.000 0.977 261 G CA 1.048 46.158 45.100 0.017 0.000 0.639 261 G HN 0.744 nan 8.290 nan 0.000 0.544 262 S N -1.304 114.406 115.700 0.017 0.000 2.632 262 S HA 0.616 5.087 4.470 0.002 0.000 0.254 262 S C 0.069 174.678 174.600 0.014 0.000 1.291 262 S CA 0.226 58.435 58.200 0.014 0.000 0.974 262 S CB 1.893 65.101 63.200 0.013 0.000 1.016 262 S HN 1.183 nan 8.310 nan 0.000 0.579 263 V N 0.656 120.571 119.914 0.001 0.000 2.711 263 V HA 0.487 4.608 4.120 0.002 0.000 0.304 263 V C -0.345 175.725 176.094 -0.039 0.000 1.097 263 V CA -0.697 61.596 62.300 -0.011 0.000 0.906 263 V CB 1.703 33.503 31.823 -0.038 0.000 1.015 263 V HN 0.918 nan 8.190 nan 0.000 0.427 264 R N 2.826 123.330 120.500 0.005 0.000 2.294 264 R HA 0.713 5.054 4.340 0.002 0.000 0.319 264 R C 0.551 176.781 176.300 -0.117 0.000 0.984 264 R CA 0.926 57.027 56.100 0.001 0.000 0.861 264 R CB 1.268 31.651 30.300 0.139 0.000 1.104 264 R HN 1.304 nan 8.270 nan 0.000 0.451 265 G N 2.879 111.505 108.800 -0.290 0.000 2.451 265 G HA2 -0.242 3.719 3.960 0.002 0.000 0.208 265 G HA3 -0.242 3.719 3.960 0.002 0.000 0.208 265 G C -1.351 173.103 174.900 -0.743 0.000 1.248 265 G CA -0.215 44.603 45.100 -0.469 0.000 0.989 265 G HN 0.631 nan 8.290 nan 0.000 0.559 266 D N 1.368 121.483 120.400 -0.475 0.000 2.380 266 D HA 0.538 5.179 4.640 0.002 0.000 0.230 266 D C -0.876 175.326 176.300 -0.164 0.000 1.154 266 D CA -2.000 51.807 54.000 -0.323 0.000 0.859 266 D CB 1.284 42.209 40.800 0.210 0.000 1.045 266 D HN -0.006 nan 8.370 nan 0.000 0.495 267 P HA -0.141 nan 4.420 nan 0.000 0.218 267 P C 0.727 178.034 177.300 0.011 0.000 1.146 267 P CA 1.123 64.185 63.100 -0.063 0.000 0.820 267 P CB 0.250 31.924 31.700 -0.043 0.000 0.778 268 A N -1.323 121.524 122.820 0.045 0.000 2.235 268 A HA -0.023 4.298 4.320 0.002 0.000 0.208 268 A C 1.166 178.793 177.584 0.072 0.000 1.172 268 A CA 0.838 52.926 52.037 0.086 0.000 0.786 268 A CB -0.709 18.361 19.000 0.116 0.000 0.804 268 A HN 0.133 nan 8.150 nan 0.000 0.479 269 N N -0.527 118.194 118.700 0.035 0.000 2.416 269 N HA 0.179 4.920 4.740 0.002 0.000 0.267 269 N C 0.826 176.325 175.510 -0.018 0.000 1.294 269 N CA 0.043 53.101 53.050 0.014 0.000 0.891 269 N CB 0.944 39.433 38.487 0.003 0.000 1.238 269 N HN 0.141 nan 8.380 nan 0.000 0.508 270 V N 0.730 120.642 119.914 -0.002 0.000 2.239 270 V HA -0.169 3.952 4.120 0.002 0.000 0.242 270 V C 2.398 178.495 176.094 0.004 0.000 1.038 270 V CA 1.620 63.921 62.300 0.002 0.000 1.002 270 V CB -0.262 31.571 31.823 0.017 0.000 0.641 270 V HN 0.369 nan 8.190 nan 0.000 0.449 271 E N -0.278 119.925 120.200 0.004 0.000 2.086 271 E HA -0.306 4.045 4.350 0.002 0.000 0.200 271 E C 2.093 178.620 176.600 -0.121 0.000 1.012 271 E CA 2.134 58.512 56.400 -0.037 0.000 0.812 271 E CB -0.201 29.506 29.700 0.012 0.000 0.743 271 E HN 0.480 nan 8.360 nan 0.000 0.453 272 I N 0.461 120.976 120.570 -0.092 0.000 2.546 272 I HA -0.157 4.014 4.170 0.002 0.000 0.255 272 I C 1.996 178.061 176.117 -0.087 0.000 1.163 272 I CA 1.422 62.645 61.300 -0.128 0.000 1.457 272 I CB -0.212 37.762 38.000 -0.044 0.000 1.092 272 I HN 0.045 nan 8.210 nan 0.000 0.434 273 T N 0.327 114.857 114.554 -0.040 0.000 2.904 273 T HA -0.094 4.257 4.350 0.002 0.000 0.267 273 T C 1.703 176.478 174.700 0.125 0.000 1.059 273 T CA 1.374 63.489 62.100 0.025 0.000 1.137 273 T CB -0.140 68.752 68.868 0.041 0.000 0.879 273 T HN 0.462 nan 8.240 nan 0.000 0.467 274 E N 0.988 121.231 120.200 0.071 0.000 2.028 274 E HA -0.005 4.346 4.350 0.002 0.000 0.191 274 E C 2.234 178.876 176.600 0.069 0.000 0.988 274 E CA 0.762 57.213 56.400 0.085 0.000 0.799 274 E CB -0.308 29.412 29.700 0.035 0.000 0.755 274 E HN 0.361 nan 8.360 nan 0.000 0.447 275 L N 0.752 121.962 121.223 -0.022 0.000 2.137 275 L HA -0.297 4.044 4.340 0.002 0.000 0.213 275 L C 2.554 179.471 176.870 0.077 0.000 1.085 275 L CA 0.862 55.701 54.840 -0.003 0.000 0.760 275 L CB -0.479 41.477 42.059 -0.171 0.000 0.893 275 L HN 0.360 nan 8.230 nan 0.000 0.434 276 C N -0.485 118.840 119.300 0.041 0.000 2.466 276 C HA -0.082 4.379 4.460 0.002 0.000 0.278 276 C C 2.680 177.824 174.990 0.257 0.000 1.288 276 C CA 0.115 59.163 59.018 0.050 0.000 1.722 276 C CB -0.481 27.177 27.740 -0.136 0.000 2.017 276 C HN 0.422 nan 8.230 nan 0.000 0.488 277 I N 1.025 121.792 120.570 0.329 0.000 2.163 277 I HA -0.310 3.861 4.170 0.002 0.000 0.243 277 I C 2.813 179.033 176.117 0.171 0.000 1.085 277 I CA 1.960 63.437 61.300 0.295 0.000 1.347 277 I CB -0.770 37.364 38.000 0.224 0.000 1.044 277 I HN 0.484 nan 8.210 nan 0.000 0.408 278 Q N 0.697 120.585 119.800 0.147 0.000 2.248 278 Q HA -0.258 4.083 4.340 0.002 0.000 0.208 278 Q C 1.032 177.043 176.000 0.018 0.000 0.984 278 Q CA 1.771 57.622 55.803 0.081 0.000 0.875 278 Q CB -0.114 28.681 28.738 0.095 0.000 0.910 278 Q HN 0.582 nan 8.270 nan 0.000 0.433 279 H N -1.026 118.044 119.070 0.000 0.000 2.568 279 H HA 0.325 4.882 4.556 0.002 0.000 0.302 279 H C 0.205 175.523 175.328 -0.017 0.000 1.065 279 H CA 0.567 56.590 56.048 -0.040 0.000 1.140 279 H CB 0.615 30.315 29.762 -0.103 0.000 1.474 279 H HN 0.472 nan 8.280 nan 0.000 0.545 280 G N 0.285 109.137 108.800 0.086 0.000 2.248 280 G HA2 -0.257 3.704 3.960 0.002 0.000 0.252 280 G HA3 -0.257 3.704 3.960 0.002 0.000 0.252 280 G C -0.418 174.566 174.900 0.141 0.000 1.085 280 G CA -0.031 45.108 45.100 0.066 0.000 0.845 280 G HN 0.422 nan 8.290 nan 0.000 0.494 281 W N 1.236 122.525 121.300 -0.017 0.000 2.520 281 W HA 0.692 5.353 4.660 0.002 0.000 0.323 281 W C 0.244 176.757 176.519 -0.009 0.000 1.062 281 W CA -0.771 56.564 57.345 -0.016 0.000 1.215 281 W CB 1.330 30.790 29.460 -0.000 0.000 1.340 281 W HN 0.111 nan 8.180 nan 0.000 0.516 282 T N 8.799 122.968 114.554 -0.642 0.000 2.738 282 T HA 0.187 4.538 4.350 0.002 0.000 0.294 282 T C -1.980 171.934 174.700 -1.309 0.000 0.914 282 T CA -0.681 61.006 62.100 -0.688 0.000 1.052 282 T CB 0.299 68.919 68.868 -0.414 0.000 0.897 282 T HN 0.182 nan 8.240 nan 0.000 0.522 283 P HA 0.269 nan 4.420 nan 0.000 0.276 283 P C 0.504 177.354 177.300 -0.750 0.000 1.264 283 P CA -0.115 62.355 63.100 -1.049 0.000 0.815 283 P CB 0.461 31.843 31.700 -0.530 0.000 1.121 284 G N -0.684 107.813 108.800 -0.505 0.000 3.176 284 G HA2 0.435 4.396 3.960 0.002 0.000 0.272 284 G HA3 0.435 4.396 3.960 0.002 0.000 0.272 284 G C -0.605 174.037 174.900 -0.431 0.000 1.349 284 G CA -0.588 44.373 45.100 -0.232 0.000 0.953 284 G HN 0.630 nan 8.290 nan 0.000 0.559 285 N N -0.603 118.024 118.700 -0.122 0.000 2.301 285 N HA 0.187 4.928 4.740 0.002 0.000 0.247 285 N C 0.374 175.942 175.510 0.096 0.000 1.347 285 N CA -0.071 52.917 53.050 -0.103 0.000 0.844 285 N CB 1.336 39.754 38.487 -0.114 0.000 1.332 285 N HN 0.703 nan 8.380 nan 0.000 0.494 286 G N 0.597 109.536 108.800 0.233 0.000 2.601 286 G HA2 0.416 4.377 3.960 0.002 0.000 0.317 286 G HA3 0.416 4.377 3.960 0.002 0.000 0.317 286 G C 0.473 175.482 174.900 0.182 0.000 1.246 286 G CA -0.659 44.562 45.100 0.200 0.000 1.012 286 G HN 0.090 nan 8.290 nan 0.000 0.494 287 R N -1.231 119.334 120.500 0.108 0.000 2.254 287 R HA 0.171 4.512 4.340 0.002 0.000 0.195 287 R C -0.250 175.670 176.300 -0.633 0.000 0.957 287 R CA 0.556 56.550 56.100 -0.176 0.000 1.024 287 R CB 0.229 30.464 30.300 -0.109 0.000 0.952 287 R HN 0.354 nan 8.270 nan 0.000 0.484 288 F N 0.866 120.719 119.950 -0.161 0.000 2.623 288 F HA 0.262 4.790 4.527 0.002 0.000 0.361 288 F C -0.632 174.964 175.800 -0.340 0.000 1.469 288 F CA -1.283 56.307 58.000 -0.685 0.000 1.126 288 F CB 0.530 38.949 39.000 -0.968 0.000 1.221 288 F HN -0.261 nan 8.300 nan 0.000 0.536 289 D N 1.804 122.255 120.400 0.085 0.000 2.336 289 D HA 0.148 4.789 4.640 0.002 0.000 0.249 289 D C 0.239 176.736 176.300 0.330 0.000 1.213 289 D CA 0.243 54.399 54.000 0.259 0.000 0.870 289 D CB 2.067 43.108 40.800 0.401 0.000 1.076 289 D HN -0.041 nan 8.370 nan 0.000 0.483 290 V N 4.355 124.467 119.914 0.329 0.000 2.485 290 V HA -0.024 4.097 4.120 0.002 0.000 0.287 290 V C 1.130 177.260 176.094 0.059 0.000 1.022 290 V CA -0.193 62.237 62.300 0.217 0.000 1.067 290 V CB 0.141 32.052 31.823 0.145 0.000 0.967 290 V HN 0.343 nan 8.190 nan 0.000 0.479 291 L N 8.308 129.467 121.223 -0.106 0.000 2.476 291 L HA 0.313 4.654 4.340 0.002 0.000 0.264 291 L C -1.700 174.945 176.870 -0.375 0.000 1.224 291 L CA -1.126 53.502 54.840 -0.352 0.000 0.821 291 L CB 0.615 42.475 42.059 -0.333 0.000 1.101 291 L HN 0.496 nan 8.230 nan 0.000 0.488 292 P HA 0.325 nan 4.420 nan 0.000 0.287 292 P C -1.297 175.812 177.300 -0.318 0.000 1.279 292 P CA -0.636 62.201 63.100 -0.438 0.000 0.867 292 P CB 1.393 32.692 31.700 -0.668 0.000 1.127 293 L N 1.630 122.739 121.223 -0.191 0.000 2.312 293 L HA 0.392 4.733 4.340 0.002 0.000 0.281 293 L C 0.414 177.229 176.870 -0.093 0.000 1.070 293 L CA -0.748 54.020 54.840 -0.120 0.000 0.805 293 L CB 0.582 42.597 42.059 -0.073 0.000 1.174 293 L HN 0.188 nan 8.230 nan 0.000 0.434 294 L N 5.364 126.532 121.223 -0.092 0.000 2.276 294 L HA 0.471 4.812 4.340 0.002 0.000 0.286 294 L C -0.545 176.235 176.870 -0.151 0.000 1.024 294 L CA -0.313 54.419 54.840 -0.180 0.000 0.826 294 L CB 1.012 42.887 42.059 -0.308 0.000 1.211 294 L HN 0.455 nan 8.230 nan 0.000 0.422 295 L N 3.955 125.115 121.223 -0.106 0.000 2.325 295 L HA 0.528 4.869 4.340 0.002 0.000 0.278 295 L C -0.269 176.508 176.870 -0.154 0.000 1.023 295 L CA -0.450 54.322 54.840 -0.114 0.000 0.811 295 L CB 1.838 43.798 42.059 -0.165 0.000 1.249 295 L HN 0.577 nan 8.230 nan 0.000 0.431 296 Q N 2.345 122.073 119.800 -0.121 0.000 2.309 296 Q HA 0.662 5.003 4.340 0.002 0.000 0.270 296 Q C -1.261 174.662 176.000 -0.127 0.000 1.023 296 Q CA -0.578 55.150 55.803 -0.125 0.000 0.758 296 Q CB 2.158 30.852 28.738 -0.074 0.000 1.247 296 Q HN 0.788 nan 8.270 nan 0.000 0.455 297 A N 5.042 127.744 122.820 -0.196 0.000 2.304 297 A HA 0.643 4.964 4.320 0.002 0.000 0.301 297 A C -2.401 174.919 177.584 -0.441 0.000 1.132 297 A CA -1.622 50.151 52.037 -0.439 0.000 0.819 297 A CB 0.178 19.030 19.000 -0.246 0.000 1.094 297 A HN 0.642 nan 8.150 nan 0.000 0.492 298 P HA -0.067 nan 4.420 nan 0.000 0.261 298 P C -0.540 176.652 177.300 -0.179 0.000 1.158 298 P CA 0.976 63.856 63.100 -0.366 0.000 0.758 298 P CB 0.108 31.585 31.700 -0.373 0.000 0.763 299 D N 0.394 120.738 120.400 -0.094 0.000 2.733 299 D HA -0.201 4.440 4.640 0.002 0.000 0.232 299 D C -0.151 176.127 176.300 -0.037 0.000 1.161 299 D CA 1.367 55.343 54.000 -0.041 0.000 0.653 299 D CB -0.588 40.194 40.800 -0.031 0.000 1.052 299 D HN 0.484 nan 8.370 nan 0.000 0.424 300 E N -0.795 119.376 120.200 -0.048 0.000 2.292 300 E HA 0.592 4.943 4.350 0.002 0.000 0.272 300 E C -0.058 176.518 176.600 -0.039 0.000 0.881 300 E CA -0.735 55.640 56.400 -0.042 0.000 0.754 300 E CB 1.849 31.512 29.700 -0.061 0.000 1.201 300 E HN 0.150 nan 8.360 nan 0.000 0.425 301 A N 4.246 127.052 122.820 -0.022 0.000 2.555 301 A HA 0.236 4.557 4.320 0.002 0.000 0.233 301 A C -1.879 175.630 177.584 -0.125 0.000 1.060 301 A CA -0.626 51.395 52.037 -0.027 0.000 0.759 301 A CB -0.612 18.395 19.000 0.013 0.000 0.995 301 A HN 0.298 nan 8.150 nan 0.000 0.506 302 P HA 0.119 nan 4.420 nan 0.000 0.268 302 P C -0.570 176.544 177.300 -0.310 0.000 1.205 302 P CA 0.290 63.071 63.100 -0.532 0.000 0.771 302 P CB 0.599 31.494 31.700 -1.342 0.000 0.858 303 E N 1.178 121.261 120.200 -0.195 0.000 2.191 303 E HA 0.384 4.735 4.350 0.002 0.000 0.274 303 E C -0.651 175.835 176.600 -0.190 0.000 0.948 303 E CA -1.062 55.252 56.400 -0.144 0.000 0.802 303 E CB 1.356 31.060 29.700 0.006 0.000 1.137 303 E HN 0.298 nan 8.360 nan 0.000 0.397 304 L N 3.485 124.480 121.223 -0.379 0.000 2.276 304 L HA 0.435 4.776 4.340 0.002 0.000 0.286 304 L C -1.581 174.886 176.870 -0.673 0.000 1.061 304 L CA 0.127 54.757 54.840 -0.350 0.000 0.807 304 L CB 0.114 42.043 42.059 -0.216 0.000 1.177 304 L HN 0.383 nan 8.230 nan 0.000 0.429 305 F N 3.850 123.571 119.950 -0.381 0.000 2.569 305 F HA 0.550 5.078 4.527 0.002 0.000 0.312 305 F C -0.287 175.238 175.800 -0.458 0.000 1.109 305 F CA -0.869 56.772 58.000 -0.597 0.000 0.919 305 F CB 1.984 40.228 39.000 -1.260 0.000 1.211 305 F HN 0.038 nan 8.300 nan 0.000 0.446 306 V N 4.110 123.938 119.914 -0.143 0.000 2.427 306 V HA 0.369 4.490 4.120 0.002 0.000 0.286 306 V C -0.062 176.117 176.094 0.142 0.000 1.034 306 V CA -0.779 61.523 62.300 0.004 0.000 0.893 306 V CB 1.761 33.635 31.823 0.085 0.000 0.982 306 V HN 0.539 nan 8.190 nan 0.000 0.452 307 L N 6.969 128.278 121.223 0.145 0.000 2.331 307 L HA 0.329 4.670 4.340 0.002 0.000 0.278 307 L C -2.118 174.859 176.870 0.177 0.000 1.106 307 L CA -1.576 53.399 54.840 0.225 0.000 0.824 307 L CB 1.084 43.227 42.059 0.140 0.000 1.142 307 L HN 0.457 nan 8.230 nan 0.000 0.443 308 P HA 0.019 nan 4.420 nan 0.000 0.256 308 P C -1.966 175.391 177.300 0.094 0.000 1.189 308 P CA -0.794 62.380 63.100 0.124 0.000 0.808 308 P CB 0.243 31.999 31.700 0.094 0.000 0.793 309 P HA -0.310 nan 4.420 nan 0.000 0.221 309 P C 1.402 178.742 177.300 0.067 0.000 1.153 309 P CA 1.591 64.740 63.100 0.081 0.000 0.858 309 P CB -0.075 31.671 31.700 0.077 0.000 0.783 310 E N -1.002 119.233 120.200 0.058 0.000 2.107 310 E HA -0.116 4.235 4.350 0.002 0.000 0.191 310 E C 1.908 178.535 176.600 0.046 0.000 0.982 310 E CA 1.025 57.452 56.400 0.045 0.000 0.809 310 E CB -1.350 28.371 29.700 0.035 0.000 0.756 310 E HN 0.212 nan 8.360 nan 0.000 0.459 311 L N 1.283 122.537 121.223 0.051 0.000 2.131 311 L HA -0.055 4.286 4.340 0.002 0.000 0.210 311 L C 1.137 178.046 176.870 0.064 0.000 1.092 311 L CA 0.880 55.751 54.840 0.052 0.000 0.759 311 L CB -0.279 41.810 42.059 0.051 0.000 0.903 311 L HN -0.088 nan 8.230 nan 0.000 0.435 312 V N 1.909 121.863 119.914 0.067 0.000 2.313 312 V HA 0.106 4.227 4.120 0.002 0.000 0.252 312 V C 0.262 176.408 176.094 0.087 0.000 1.112 312 V CA -0.796 61.547 62.300 0.073 0.000 0.984 312 V CB 0.292 32.149 31.823 0.057 0.000 1.157 312 V HN 0.036 nan 8.190 nan 0.000 0.493 313 L N 5.239 126.518 121.223 0.095 0.000 2.439 313 L HA 0.427 4.768 4.340 0.002 0.000 0.269 313 L C 0.195 177.128 176.870 0.107 0.000 1.179 313 L CA 0.647 55.535 54.840 0.079 0.000 0.828 313 L CB 0.388 42.488 42.059 0.068 0.000 1.106 313 L HN 0.656 nan 8.230 nan 0.000 0.467 314 E N 2.758 122.988 120.200 0.052 0.000 2.408 314 E HA 0.561 4.912 4.350 0.002 0.000 0.275 314 E C -1.618 174.933 176.600 -0.081 0.000 0.935 314 E CA -0.955 55.475 56.400 0.051 0.000 0.775 314 E CB 2.408 32.165 29.700 0.094 0.000 1.277 314 E HN 0.370 nan 8.360 nan 0.000 0.455 315 V N 2.277 122.104 119.914 -0.145 0.000 2.495 315 V HA 0.377 4.498 4.120 0.002 0.000 0.298 315 V C -2.484 173.532 176.094 -0.130 0.000 1.031 315 V CA -1.986 60.150 62.300 -0.272 0.000 0.871 315 V CB 1.669 33.053 31.823 -0.733 0.000 0.988 315 V HN 0.512 nan 8.190 nan 0.000 0.432 316 P HA 0.415 nan 4.420 nan 0.000 0.292 316 P C -0.851 176.446 177.300 -0.005 0.000 1.287 316 P CA -0.325 62.734 63.100 -0.068 0.000 0.800 316 P CB 0.666 32.330 31.700 -0.061 0.000 0.945 317 L N 3.919 125.174 121.223 0.053 0.000 2.281 317 L HA 0.440 4.781 4.340 0.002 0.000 0.285 317 L C 0.950 178.007 176.870 0.312 0.000 1.074 317 L CA -0.106 54.854 54.840 0.200 0.000 0.817 317 L CB 0.337 42.582 42.059 0.309 0.000 1.168 317 L HN 0.452 nan 8.230 nan 0.000 0.434 318 E N 2.840 123.220 120.200 0.301 0.000 2.314 318 E HA 0.317 4.668 4.350 0.002 0.000 0.272 318 E C -1.299 175.390 176.600 0.148 0.000 0.884 318 E CA -0.896 55.699 56.400 0.325 0.000 0.753 318 E CB 2.099 31.913 29.700 0.190 0.000 1.213 318 E HN 0.507 nan 8.360 nan 0.000 0.432 319 H N 2.958 121.936 119.070 -0.153 0.000 2.525 319 H HA 0.171 4.728 4.556 0.002 0.000 0.339 319 H C -1.810 173.246 175.328 -0.452 0.000 1.109 319 H CA -1.678 54.075 56.048 -0.492 0.000 1.352 319 H CB 1.800 31.110 29.762 -0.754 0.000 1.461 319 H HN 0.411 nan 8.280 nan 0.000 0.533 320 P HA -0.144 nan 4.420 nan 0.000 0.216 320 P C 1.051 178.156 177.300 -0.326 0.000 1.153 320 P CA 2.426 65.031 63.100 -0.825 0.000 0.858 320 P CB 0.328 31.550 31.700 -0.796 0.000 0.789 321 T N -5.836 108.672 114.554 -0.076 0.000 2.958 321 T HA 0.211 4.562 4.350 0.002 0.000 0.256 321 T C 0.552 175.244 174.700 -0.014 0.000 0.983 321 T CA -0.136 61.959 62.100 -0.009 0.000 0.924 321 T CB -0.527 68.353 68.868 0.019 0.000 1.136 321 T HN -0.101 nan 8.240 nan 0.000 0.506 322 L N 3.420 124.617 121.223 -0.043 0.000 2.302 322 L HA 0.389 4.730 4.340 0.002 0.000 0.285 322 L C 1.578 178.192 176.870 -0.425 0.000 1.090 322 L CA -0.631 53.938 54.840 -0.452 0.000 0.866 322 L CB 0.826 42.229 42.059 -1.094 0.000 1.244 322 L HN 0.336 nan 8.230 nan 0.000 0.435 323 E N 3.449 123.533 120.200 -0.192 0.000 2.118 323 E HA -0.243 4.109 4.350 0.002 0.000 0.195 323 E C 1.697 178.285 176.600 -0.020 0.000 0.992 323 E CA 1.426 57.794 56.400 -0.054 0.000 0.804 323 E CB -0.193 29.533 29.700 0.045 0.000 0.741 323 E HN 0.769 nan 8.360 nan 0.000 0.458 324 W N 0.299 121.654 121.300 0.091 0.000 2.525 324 W HA -0.001 4.660 4.660 0.002 0.000 0.259 324 W C 1.242 177.815 176.519 0.090 0.000 1.253 324 W CA -0.041 57.346 57.345 0.070 0.000 1.262 324 W CB -0.864 28.621 29.460 0.042 0.000 1.122 324 W HN -0.003 nan 8.180 nan 0.000 0.607 325 F N 3.057 122.676 119.950 -0.551 0.000 2.026 325 F HA -0.130 4.397 4.527 0.002 0.000 0.296 325 F C 2.826 178.598 175.800 -0.047 0.000 1.133 325 F CA 3.264 61.026 58.000 -0.396 0.000 1.188 325 F CB -0.928 37.766 39.000 -0.510 0.000 0.968 325 F HN -0.076 nan 8.300 nan 0.000 0.476 326 A N 0.430 123.309 122.820 0.099 0.000 1.971 326 A HA -0.269 4.052 4.320 0.002 0.000 0.222 326 A C 2.266 179.837 177.584 -0.023 0.000 1.182 326 A CA 2.065 54.132 52.037 0.051 0.000 0.649 326 A CB -1.752 17.296 19.000 0.079 0.000 0.818 326 A HN 0.593 nan 8.150 nan 0.000 0.458 327 A N -0.975 121.857 122.820 0.020 0.000 2.234 327 A HA 0.086 4.407 4.320 0.002 0.000 0.216 327 A C 1.848 179.432 177.584 -0.001 0.000 1.167 327 A CA 1.214 53.273 52.037 0.036 0.000 0.698 327 A CB -0.540 18.522 19.000 0.104 0.000 0.779 327 A HN 0.523 nan 8.150 nan 0.000 0.475 328 L N -1.685 119.485 121.223 -0.088 0.000 2.554 328 L HA 0.135 4.476 4.340 0.002 0.000 0.226 328 L C 1.909 178.736 176.870 -0.072 0.000 1.137 328 L CA 0.578 55.358 54.840 -0.100 0.000 0.863 328 L CB -0.181 41.730 42.059 -0.247 0.000 0.985 328 L HN 0.554 nan 8.230 nan 0.000 0.451 329 G N 0.573 109.317 108.800 -0.093 0.000 2.196 329 G HA2 -0.311 3.650 3.960 0.002 0.000 0.268 329 G HA3 -0.311 3.650 3.960 0.002 0.000 0.268 329 G C 0.404 175.159 174.900 -0.242 0.000 0.975 329 G CA 0.066 45.102 45.100 -0.107 0.000 0.648 329 G HN 0.264 nan 8.290 nan 0.000 0.538 330 L N 0.602 121.691 121.223 -0.224 0.000 2.525 330 L HA 0.439 4.780 4.340 0.002 0.000 0.278 330 L C 1.214 177.848 176.870 -0.394 0.000 1.218 330 L CA 0.475 55.132 54.840 -0.305 0.000 0.878 330 L CB 0.327 42.334 42.059 -0.087 0.000 1.127 330 L HN 0.611 nan 8.230 nan 0.000 0.492 331 R N 2.938 123.041 120.500 -0.662 0.000 2.734 331 R HA 0.539 4.880 4.340 0.002 0.000 0.271 331 R C -2.119 174.202 176.300 0.034 0.000 1.021 331 R CA -1.018 54.885 56.100 -0.330 0.000 0.893 331 R CB 1.905 31.933 30.300 -0.454 0.000 1.244 331 R HN 0.654 nan 8.270 nan 0.000 0.464 332 W N 2.561 123.875 121.300 0.023 0.000 3.372 332 W HA 0.292 4.953 4.660 0.002 0.000 0.315 332 W C -1.208 175.393 176.519 0.135 0.000 1.223 332 W CA -1.005 56.431 57.345 0.152 0.000 1.202 332 W CB 1.691 31.124 29.460 -0.045 0.000 1.367 332 W HN 0.714 nan 8.180 nan 0.000 0.531 333 Y N 1.622 121.838 120.300 -0.139 0.000 2.426 333 Y HA 0.465 5.016 4.550 0.002 0.000 0.344 333 Y C 0.855 177.013 175.900 0.430 0.000 1.256 333 Y CA 0.466 58.604 58.100 0.064 0.000 1.451 333 Y CB 0.183 38.572 38.460 -0.119 0.000 1.342 333 Y HN 0.343 nan 8.280 nan 0.000 0.600 334 A N 2.178 125.298 122.820 0.499 0.000 2.081 334 A HA 0.123 4.444 4.320 0.002 0.000 0.214 334 A C 0.405 178.380 177.584 0.653 0.000 1.158 334 A CA 0.090 52.494 52.037 0.612 0.000 0.724 334 A CB -0.225 18.970 19.000 0.325 0.000 0.826 334 A HN 0.679 nan 8.150 nan 0.000 0.463 335 L N 2.044 123.599 121.223 0.554 0.000 2.257 335 L HA 0.414 4.755 4.340 0.002 0.000 0.290 335 L C -2.521 174.548 176.870 0.331 0.000 1.044 335 L CA -2.007 53.059 54.840 0.377 0.000 0.810 335 L CB 1.603 43.818 42.059 0.260 0.000 1.193 335 L HN -0.013 nan 8.230 nan 0.000 0.425 336 P HA 0.351 nan 4.420 nan 0.000 0.298 336 P C -1.483 175.740 177.300 -0.127 0.000 1.365 336 P CA -0.435 62.536 63.100 -0.215 0.000 0.835 336 P CB 1.523 32.675 31.700 -0.914 0.000 0.948 337 A N 4.545 127.302 122.820 -0.106 0.000 2.943 337 A HA 0.361 4.682 4.320 0.002 0.000 0.327 337 A C -0.018 177.331 177.584 -0.391 0.000 1.141 337 A CA -0.604 51.288 52.037 -0.242 0.000 0.773 337 A CB 0.373 19.276 19.000 -0.163 0.000 1.143 337 A HN 0.290 nan 8.150 nan 0.000 0.463 338 V N 2.068 121.613 119.914 -0.616 0.000 2.720 338 V HA 0.106 4.227 4.120 0.002 0.000 0.307 338 V C 1.339 177.026 176.094 -0.679 0.000 1.071 338 V CA 1.766 63.683 62.300 -0.639 0.000 1.199 338 V CB 1.090 32.412 31.823 -0.835 0.000 0.900 338 V HN 1.158 nan 8.190 nan 0.000 0.494 339 S N 1.053 116.562 115.700 -0.318 0.000 2.911 339 S HA 0.085 4.556 4.470 0.002 0.000 0.261 339 S C 0.634 175.214 174.600 -0.033 0.000 1.021 339 S CA 0.039 58.134 58.200 -0.175 0.000 1.222 339 S CB -0.451 62.679 63.200 -0.116 0.000 1.171 339 S HN 0.929 nan 8.310 nan 0.000 0.669 340 N N 0.483 119.173 118.700 -0.016 0.000 2.187 340 N HA 0.321 5.062 4.740 0.002 0.000 0.212 340 N C 0.060 175.624 175.510 0.091 0.000 1.152 340 N CA -0.557 52.519 53.050 0.044 0.000 0.872 340 N CB 0.159 38.667 38.487 0.035 0.000 1.025 340 N HN 0.269 nan 8.380 nan 0.000 0.514 341 M N 1.635 121.313 119.600 0.130 0.000 2.277 341 M HA 0.287 4.768 4.480 0.002 0.000 0.350 341 M C -0.495 175.952 176.300 0.245 0.000 1.180 341 M CA -0.812 54.609 55.300 0.200 0.000 1.103 341 M CB 2.522 35.282 32.600 0.267 0.000 1.577 341 M HN 0.167 nan 8.290 nan 0.000 0.459 342 L N 3.901 125.236 121.223 0.186 0.000 2.305 342 L HA 0.437 4.778 4.340 0.002 0.000 0.281 342 L C -1.160 175.803 176.870 0.156 0.000 1.085 342 L CA -0.787 54.149 54.840 0.159 0.000 0.813 342 L CB 0.811 42.919 42.059 0.083 0.000 1.157 342 L HN 0.614 nan 8.230 nan 0.000 0.436 343 L N 5.540 126.850 121.223 0.145 0.000 2.262 343 L HA 0.418 4.759 4.340 0.002 0.000 0.288 343 L C -0.428 176.441 176.870 -0.001 0.000 1.035 343 L CA 0.240 55.040 54.840 -0.066 0.000 0.820 343 L CB 1.002 43.006 42.059 -0.093 0.000 1.204 343 L HN 0.631 nan 8.230 nan 0.000 0.424 344 E N 6.602 126.725 120.200 -0.129 0.000 2.133 344 E HA 0.426 4.777 4.350 0.002 0.000 0.274 344 E C -1.474 175.042 176.600 -0.139 0.000 0.930 344 E CA -0.394 55.959 56.400 -0.078 0.000 0.770 344 E CB 1.049 30.701 29.700 -0.081 0.000 1.104 344 E HN 0.723 nan 8.360 nan 0.000 0.403 345 I N 1.599 122.105 120.570 -0.106 0.000 2.647 345 I HA 0.283 4.454 4.170 0.002 0.000 0.295 345 I C 0.954 176.905 176.117 -0.277 0.000 1.078 345 I CA -1.028 60.086 61.300 -0.310 0.000 1.048 345 I CB 2.139 39.864 38.000 -0.457 0.000 1.239 345 I HN 0.728 nan 8.210 nan 0.000 0.421 346 G N 3.791 112.403 108.800 -0.313 0.000 2.467 346 G HA2 -0.103 3.858 3.960 0.002 0.000 0.302 346 G HA3 -0.103 3.858 3.960 0.002 0.000 0.302 346 G C 1.069 176.069 174.900 0.167 0.000 0.930 346 G CA 1.171 46.318 45.100 0.077 0.000 1.008 346 G HN 1.625 nan 8.290 nan 0.000 0.512 347 G N -2.079 106.760 108.800 0.064 0.000 2.241 347 G HA2 -0.253 3.708 3.960 0.002 0.000 0.244 347 G HA3 -0.253 3.708 3.960 0.002 0.000 0.244 347 G C 0.516 175.394 174.900 -0.036 0.000 0.998 347 G CA 0.416 45.551 45.100 0.059 0.000 0.621 347 G HN 1.161 nan 8.290 nan 0.000 0.519 348 L N 0.716 121.869 121.223 -0.117 0.000 2.375 348 L HA 0.630 4.971 4.340 0.002 0.000 0.271 348 L C 0.332 177.003 176.870 -0.332 0.000 1.107 348 L CA -0.474 54.174 54.840 -0.320 0.000 0.806 348 L CB 1.118 42.890 42.059 -0.479 0.000 1.146 348 L HN 0.163 nan 8.230 nan 0.000 0.447 349 E N 2.016 121.936 120.200 -0.466 0.000 2.165 349 E HA 0.360 4.711 4.350 0.002 0.000 0.266 349 E C -1.511 174.793 176.600 -0.493 0.000 0.889 349 E CA -0.393 55.815 56.400 -0.320 0.000 0.756 349 E CB 1.615 31.211 29.700 -0.174 0.000 1.131 349 E HN 0.262 nan 8.360 nan 0.000 0.411 350 F N 2.099 122.010 119.950 -0.065 0.000 2.293 350 F HA 0.090 4.618 4.527 0.002 0.000 0.370 350 F C 1.598 177.422 175.800 0.040 0.000 1.090 350 F CA -0.470 57.515 58.000 -0.024 0.000 1.133 350 F CB 1.126 40.095 39.000 -0.052 0.000 1.360 350 F HN 0.443 nan 8.300 nan 0.000 0.489 351 S N 1.676 117.460 115.700 0.141 0.000 2.469 351 S HA 0.112 4.583 4.470 0.002 0.000 0.238 351 S C 0.808 175.527 174.600 0.198 0.000 0.998 351 S CA 0.474 58.763 58.200 0.148 0.000 0.957 351 S CB -0.037 63.234 63.200 0.119 0.000 0.764 351 S HN 0.530 nan 8.310 nan 0.000 0.514 352 A N 0.327 123.306 122.820 0.264 0.000 2.522 352 A HA 0.811 5.132 4.320 0.002 0.000 0.285 352 A C -0.245 177.596 177.584 0.428 0.000 1.198 352 A CA -0.137 52.079 52.037 0.298 0.000 0.742 352 A CB 0.872 20.005 19.000 0.222 0.000 1.176 352 A HN 0.984 nan 8.150 nan 0.000 0.444 353 A N 4.080 127.100 122.820 0.333 0.000 3.300 353 A HA 0.668 4.989 4.320 0.002 0.000 0.300 353 A C -2.967 174.775 177.584 0.264 0.000 1.099 353 A CA -1.085 51.113 52.037 0.269 0.000 0.846 353 A CB 0.381 19.523 19.000 0.235 0.000 1.255 353 A HN 0.489 nan 8.150 nan 0.000 0.519 354 P HA 0.389 nan 4.420 nan 0.000 0.268 354 P C -0.745 176.535 177.300 -0.033 0.000 1.205 354 P CA 0.479 63.537 63.100 -0.070 0.000 0.771 354 P CB 0.280 31.895 31.700 -0.142 0.000 0.858 355 F N -0.566 119.317 119.950 -0.112 0.000 2.599 355 F HA 0.787 5.315 4.527 0.002 0.000 0.311 355 F C -0.698 175.027 175.800 -0.125 0.000 1.076 355 F CA -1.216 56.724 58.000 -0.099 0.000 0.937 355 F CB 1.712 40.551 39.000 -0.269 0.000 1.282 355 F HN 0.426 nan 8.300 nan 0.000 0.460 356 S N 0.215 116.020 115.700 0.175 0.000 2.537 356 S HA 0.852 5.323 4.470 0.002 0.000 0.271 356 S C -0.824 173.765 174.600 -0.018 0.000 1.148 356 S CA -0.111 58.127 58.200 0.064 0.000 0.868 356 S CB 1.363 64.667 63.200 0.173 0.000 1.115 356 S HN 1.510 nan 8.310 nan 0.000 0.461 357 G N 0.582 109.313 108.800 -0.116 0.000 2.710 357 G HA2 0.712 4.673 3.960 0.002 0.000 0.198 357 G HA3 0.712 4.673 3.960 0.002 0.000 0.198 357 G C -1.009 173.936 174.900 0.074 0.000 1.797 357 G CA -0.003 44.970 45.100 -0.212 0.000 0.759 357 G HN 1.304 nan 8.290 nan 0.000 0.808 358 W N -1.617 119.677 121.300 -0.010 0.000 3.066 358 W HA 0.783 5.444 4.660 0.002 0.000 0.330 358 W C -1.724 174.773 176.519 -0.038 0.000 1.253 358 W CA -2.187 55.165 57.345 0.010 0.000 1.187 358 W CB 0.262 29.773 29.460 0.085 0.000 1.434 358 W HN 0.345 nan 8.180 nan 0.000 0.572 359 Y N 2.439 122.912 120.300 0.288 0.000 2.357 359 Y HA 0.360 4.911 4.550 0.002 0.000 0.340 359 Y C 0.807 176.757 175.900 0.083 0.000 1.260 359 Y CA -0.504 57.642 58.100 0.077 0.000 1.425 359 Y CB 1.084 39.474 38.460 -0.116 0.000 1.326 359 Y HN 0.469 nan 8.280 nan 0.000 0.580 360 M N 1.887 121.620 119.600 0.222 0.000 2.078 360 M HA 0.204 4.685 4.480 0.002 0.000 0.320 360 M C 0.898 177.193 176.300 -0.007 0.000 0.969 360 M CA -0.383 54.983 55.300 0.109 0.000 0.929 360 M CB 1.093 33.737 32.600 0.073 0.000 1.504 360 M HN 0.876 nan 8.290 nan 0.000 0.419 361 S N 1.629 117.285 115.700 -0.074 0.000 2.434 361 S HA -0.295 4.176 4.470 0.002 0.000 0.250 361 S C 1.455 175.933 174.600 -0.203 0.000 1.102 361 S CA 2.683 60.775 58.200 -0.179 0.000 1.104 361 S CB -1.745 61.405 63.200 -0.084 0.000 0.957 361 S HN 0.917 nan 8.310 nan 0.000 0.456 362 T N -0.404 114.058 114.554 -0.153 0.000 3.007 362 T HA 0.020 4.371 4.350 0.002 0.000 0.270 362 T C 1.479 176.034 174.700 -0.242 0.000 1.107 362 T CA 1.202 63.160 62.100 -0.236 0.000 1.118 362 T CB -0.525 68.156 68.868 -0.311 0.000 0.889 362 T HN 0.675 nan 8.240 nan 0.000 0.506 363 E N 0.634 120.709 120.200 -0.207 0.000 2.107 363 E HA 0.057 4.408 4.350 0.002 0.000 0.191 363 E C 1.934 178.297 176.600 -0.396 0.000 0.982 363 E CA 0.960 57.241 56.400 -0.197 0.000 0.809 363 E CB -0.154 29.562 29.700 0.026 0.000 0.756 363 E HN 0.577 nan 8.360 nan 0.000 0.459 364 I N 0.198 120.422 120.570 -0.578 0.000 2.364 364 I HA -0.047 4.124 4.170 0.002 0.000 0.241 364 I C 2.526 178.325 176.117 -0.529 0.000 1.082 364 I CA 0.937 61.731 61.300 -0.843 0.000 1.401 364 I CB -0.392 37.016 38.000 -0.986 0.000 1.126 364 I HN 0.095 nan 8.210 nan 0.000 0.429 365 G N -0.189 108.399 108.800 -0.355 0.000 2.443 365 G HA2 -0.134 3.827 3.960 0.002 0.000 0.219 365 G HA3 -0.134 3.827 3.960 0.002 0.000 0.219 365 G C 1.546 176.346 174.900 -0.167 0.000 1.131 365 G CA 1.322 46.299 45.100 -0.204 0.000 0.775 365 G HN 0.287 nan 8.290 nan 0.000 0.547 366 T N -0.192 114.236 114.554 -0.209 0.000 3.146 366 T HA 0.109 4.460 4.350 0.002 0.000 0.235 366 T C 2.508 177.104 174.700 -0.174 0.000 0.985 366 T CA 0.128 62.120 62.100 -0.180 0.000 1.265 366 T CB 0.095 68.833 68.868 -0.216 0.000 0.946 366 T HN -0.011 nan 8.240 nan 0.000 0.418 367 R N 2.026 122.401 120.500 -0.207 0.000 2.055 367 R HA 0.150 4.491 4.340 0.002 0.000 0.228 367 R C 2.192 178.377 176.300 -0.193 0.000 1.143 367 R CA 1.066 57.051 56.100 -0.192 0.000 0.945 367 R CB -1.215 28.967 30.300 -0.197 0.000 0.841 367 R HN 0.315 nan 8.270 nan 0.000 0.429 368 N N 0.949 119.487 118.700 -0.270 0.000 2.120 368 N HA -0.093 4.648 4.740 0.002 0.000 0.188 368 N C 1.944 177.374 175.510 -0.134 0.000 1.024 368 N CA 1.124 54.010 53.050 -0.273 0.000 0.852 368 N CB -0.121 37.923 38.487 -0.739 0.000 1.003 368 N HN 0.197 nan 8.380 nan 0.000 0.424 369 L N -0.729 120.385 121.223 -0.182 0.000 2.416 369 L HA 0.094 4.435 4.340 0.002 0.000 0.216 369 L C 1.348 178.246 176.870 0.046 0.000 1.098 369 L CA 0.291 55.118 54.840 -0.021 0.000 0.840 369 L CB 0.300 42.331 42.059 -0.048 0.000 0.981 369 L HN 0.123 nan 8.230 nan 0.000 0.462 370 C N -1.381 117.909 119.300 -0.017 0.000 3.183 370 C HA 0.195 4.656 4.460 0.002 0.000 0.285 370 C C 0.592 175.573 174.990 -0.015 0.000 1.313 370 C CA -0.874 58.147 59.018 0.005 0.000 1.711 370 C CB -0.466 27.264 27.740 -0.016 0.000 2.135 370 C HN 0.264 nan 8.230 nan 0.000 0.651 371 D N 3.125 123.487 120.400 -0.064 0.000 2.424 371 D HA 0.082 4.723 4.640 0.002 0.000 0.244 371 D C -1.007 175.272 176.300 -0.036 0.000 1.134 371 D CA -1.531 52.406 54.000 -0.104 0.000 0.881 371 D CB 0.903 41.503 40.800 -0.333 0.000 1.191 371 D HN 0.178 nan 8.370 nan 0.000 0.445 372 P HA -0.173 nan 4.420 nan 0.000 0.218 372 P C 0.664 178.056 177.300 0.153 0.000 1.148 372 P CA 1.360 64.538 63.100 0.129 0.000 0.822 372 P CB 0.011 31.803 31.700 0.153 0.000 0.784 373 H N -2.225 116.864 119.070 0.030 0.000 2.519 373 H HA 0.359 4.916 4.556 0.002 0.000 0.289 373 H C 0.892 176.238 175.328 0.031 0.000 1.040 373 H CA -0.332 55.732 56.048 0.026 0.000 1.165 373 H CB -0.119 29.656 29.762 0.021 0.000 1.462 373 H HN -0.015 nan 8.280 nan 0.000 0.555 374 R N -0.182 120.240 120.500 -0.130 0.000 3.237 374 R HA 0.175 4.516 4.340 0.002 0.000 0.193 374 R C 0.966 177.275 176.300 0.015 0.000 1.551 374 R CA -0.814 55.250 56.100 -0.061 0.000 0.855 374 R CB -0.852 29.420 30.300 -0.047 0.000 2.062 374 R HN 0.083 nan 8.270 nan 0.000 0.507 375 Y N 1.757 122.071 120.300 0.024 0.000 2.483 375 Y HA -0.136 4.415 4.550 0.002 0.000 0.291 375 Y C 0.705 176.638 175.900 0.055 0.000 1.143 375 Y CA 1.070 59.203 58.100 0.055 0.000 1.289 375 Y CB -0.497 38.035 38.460 0.119 0.000 0.983 375 Y HN 0.498 nan 8.280 nan 0.000 0.556 376 N N 1.149 119.950 118.700 0.168 0.000 2.725 376 N HA -0.241 4.500 4.740 0.002 0.000 0.280 376 N C 0.252 175.854 175.510 0.153 0.000 1.017 376 N CA 0.866 53.992 53.050 0.127 0.000 0.813 376 N CB -1.197 37.347 38.487 0.094 0.000 0.931 376 N HN 0.674 nan 8.380 nan 0.000 0.570 377 I N -2.630 118.045 120.570 0.175 0.000 3.861 377 I HA 0.129 4.300 4.170 0.002 0.000 0.329 377 I C 1.402 177.630 176.117 0.185 0.000 1.321 377 I CA -0.562 60.844 61.300 0.177 0.000 1.126 377 I CB -0.062 38.051 38.000 0.189 0.000 1.018 377 I HN 0.123 nan 8.210 nan 0.000 0.407 378 L N 1.707 123.046 121.223 0.194 0.000 1.971 378 L HA -0.222 4.120 4.340 0.002 0.000 0.215 378 L C 2.572 179.659 176.870 0.361 0.000 1.072 378 L CA 2.189 57.182 54.840 0.256 0.000 0.758 378 L CB -0.713 41.479 42.059 0.222 0.000 0.889 378 L HN 0.458 nan 8.230 nan 0.000 0.433 379 E N -1.059 119.338 120.200 0.329 0.000 2.077 379 E HA -0.227 4.124 4.350 0.002 0.000 0.193 379 E C 1.745 178.380 176.600 0.057 0.000 0.989 379 E CA 1.276 57.775 56.400 0.165 0.000 0.800 379 E CB 0.032 29.767 29.700 0.058 0.000 0.746 379 E HN 0.530 nan 8.360 nan 0.000 0.452 380 D N 0.115 120.565 120.400 0.085 0.000 2.108 380 D HA -0.186 4.455 4.640 0.002 0.000 0.190 380 D C 2.087 178.427 176.300 0.067 0.000 0.995 380 D CA 1.490 55.520 54.000 0.050 0.000 0.834 380 D CB -0.607 40.238 40.800 0.075 0.000 0.967 380 D HN 0.115 nan 8.370 nan 0.000 0.446 381 V N 1.705 121.721 119.914 0.170 0.000 2.453 381 V HA -0.277 3.844 4.120 0.002 0.000 0.252 381 V C 2.525 178.746 176.094 0.212 0.000 1.068 381 V CA 1.819 64.291 62.300 0.287 0.000 1.070 381 V CB -0.948 31.108 31.823 0.389 0.000 0.664 381 V HN 0.209 nan 8.190 nan 0.000 0.461 382 A N -0.032 122.895 122.820 0.178 0.000 1.851 382 A HA -0.184 4.137 4.320 0.002 0.000 0.216 382 A C 2.413 179.971 177.584 -0.042 0.000 1.195 382 A CA 2.247 54.366 52.037 0.137 0.000 0.622 382 A CB -0.900 18.187 19.000 0.144 0.000 0.831 382 A HN 0.313 nan 8.150 nan 0.000 0.444 383 V N -0.350 119.485 119.914 -0.131 0.000 2.392 383 V HA -0.356 3.765 4.120 0.002 0.000 0.249 383 V C 2.663 178.601 176.094 -0.260 0.000 1.059 383 V CA 2.115 64.299 62.300 -0.192 0.000 1.051 383 V CB -1.096 30.620 31.823 -0.179 0.000 0.658 383 V HN 0.741 nan 8.190 nan 0.000 0.455 384 C N -0.593 118.509 119.300 -0.329 0.000 2.419 384 C HA -0.122 4.339 4.460 0.002 0.000 0.281 384 C C 2.463 176.910 174.990 -0.905 0.000 1.336 384 C CA 0.780 59.339 59.018 -0.765 0.000 1.770 384 C CB -1.098 26.071 27.740 -0.951 0.000 1.929 384 C HN 0.522 nan 8.230 nan 0.000 0.509 385 M N 0.498 119.891 119.600 -0.345 0.000 2.563 385 M HA 0.063 4.544 4.480 0.002 0.000 0.231 385 M C 0.496 176.747 176.300 -0.081 0.000 1.136 385 M CA 0.584 55.847 55.300 -0.061 0.000 1.026 385 M CB -0.401 32.296 32.600 0.160 0.000 1.597 385 M HN 0.244 nan 8.290 nan 0.000 0.495 386 D N 1.942 122.241 120.400 -0.167 0.000 2.689 386 D HA -0.172 4.469 4.640 0.002 0.000 0.237 386 D C -0.869 175.389 176.300 -0.071 0.000 1.148 386 D CA 0.607 54.532 54.000 -0.126 0.000 0.656 386 D CB -0.988 39.748 40.800 -0.107 0.000 1.050 386 D HN 0.341 nan 8.370 nan 0.000 0.426 387 L N -0.196 120.988 121.223 -0.066 0.000 2.448 387 L HA 0.391 4.732 4.340 0.002 0.000 0.258 387 L C 0.942 177.754 176.870 -0.097 0.000 1.104 387 L CA -0.771 54.055 54.840 -0.023 0.000 0.800 387 L CB 0.576 42.675 42.059 0.067 0.000 1.241 387 L HN -0.017 nan 8.230 nan 0.000 0.472 388 D N -0.686 119.680 120.400 -0.057 0.000 2.500 388 D HA 0.069 4.710 4.640 0.002 0.000 0.219 388 D C 0.905 177.051 176.300 -0.257 0.000 1.137 388 D CA -0.368 53.569 54.000 -0.105 0.000 0.946 388 D CB 0.660 41.453 40.800 -0.011 0.000 1.022 388 D HN 0.530 nan 8.370 nan 0.000 0.518 389 T N 0.600 114.830 114.554 -0.540 0.000 3.163 389 T HA -0.015 4.336 4.350 0.002 0.000 0.260 389 T C 1.711 176.156 174.700 -0.424 0.000 1.156 389 T CA 0.207 61.675 62.100 -1.054 0.000 1.072 389 T CB -0.022 68.212 68.868 -1.056 0.000 0.937 389 T HN 0.264 nan 8.240 nan 0.000 0.528 390 R N 0.841 121.230 120.500 -0.184 0.000 2.070 390 R HA 0.031 4.372 4.340 0.002 0.000 0.233 390 R C 1.390 177.725 176.300 0.057 0.000 1.137 390 R CA 1.321 57.392 56.100 -0.049 0.000 0.945 390 R CB -0.391 29.889 30.300 -0.033 0.000 0.845 390 R HN 0.394 nan 8.270 nan 0.000 0.430 391 T N -1.198 113.427 114.554 0.118 0.000 2.885 391 T HA 0.130 4.481 4.350 0.002 0.000 0.285 391 T C 1.251 176.121 174.700 0.283 0.000 1.019 391 T CA -0.415 61.784 62.100 0.165 0.000 1.010 391 T CB 1.876 70.805 68.868 0.102 0.000 1.022 391 T HN 0.337 nan 8.240 nan 0.000 0.466 392 T N 0.750 115.424 114.554 0.201 0.000 2.746 392 T HA -0.117 4.234 4.350 0.002 0.000 0.267 392 T C 2.036 176.771 174.700 0.059 0.000 1.039 392 T CA 1.665 63.834 62.100 0.116 0.000 1.142 392 T CB -0.903 67.987 68.868 0.036 0.000 0.866 392 T HN 0.694 nan 8.240 nan 0.000 0.444 393 S N 2.021 117.762 115.700 0.068 0.000 2.584 393 S HA -0.041 4.430 4.470 0.002 0.000 0.240 393 S C 2.013 176.653 174.600 0.066 0.000 0.975 393 S CA 0.754 58.982 58.200 0.047 0.000 0.949 393 S CB -0.887 62.338 63.200 0.041 0.000 0.761 393 S HN 0.791 nan 8.310 nan 0.000 0.536 394 S N 1.338 117.112 115.700 0.124 0.000 2.528 394 S HA 0.262 4.733 4.470 0.002 0.000 0.219 394 S C 0.892 175.567 174.600 0.126 0.000 0.985 394 S CA -0.046 58.240 58.200 0.142 0.000 0.914 394 S CB -0.868 62.457 63.200 0.208 0.000 0.776 394 S HN 0.580 nan 8.310 nan 0.000 0.526 395 L N 1.236 122.494 121.223 0.058 0.000 3.717 395 L HA -0.170 4.171 4.340 0.002 0.000 0.414 395 L C 1.560 178.434 176.870 0.007 0.000 1.228 395 L CA 0.650 55.466 54.840 -0.039 0.000 0.918 395 L CB -2.373 39.678 42.059 -0.013 0.000 1.865 395 L HN 0.732 nan 8.230 nan 0.000 0.922 396 W N -0.169 121.141 121.300 0.016 0.000 2.381 396 W HA -0.118 4.543 4.660 0.001 0.000 0.301 396 W C 1.749 178.285 176.519 0.027 0.000 1.205 396 W CA 1.240 58.598 57.345 0.021 0.000 1.285 396 W CB -0.731 28.739 29.460 0.017 0.000 1.133 396 W HN 0.257 nan 8.180 nan 0.000 0.521 397 K N 1.112 121.106 120.400 -0.676 0.000 2.032 397 K HA -0.187 4.134 4.320 0.002 0.000 0.209 397 K C 1.522 177.986 176.600 -0.226 0.000 1.048 397 K CA 2.503 58.404 56.287 -0.645 0.000 0.927 397 K CB -0.394 31.526 32.500 -0.966 0.000 0.712 397 K HN 0.080 nan 8.250 nan 0.000 0.441 398 D N 0.619 120.902 120.400 -0.195 0.000 2.084 398 D HA -0.123 4.518 4.640 0.002 0.000 0.194 398 D C 1.761 178.050 176.300 -0.018 0.000 0.990 398 D CA 1.216 55.159 54.000 -0.095 0.000 0.826 398 D CB -0.032 40.719 40.800 -0.081 0.000 0.971 398 D HN 0.104 nan 8.370 nan 0.000 0.453 399 K N 0.495 120.910 120.400 0.024 0.000 2.074 399 K HA -0.116 4.205 4.320 0.002 0.000 0.209 399 K C 2.189 178.847 176.600 0.096 0.000 1.048 399 K CA 1.288 57.617 56.287 0.070 0.000 0.926 399 K CB -0.227 32.336 32.500 0.104 0.000 0.713 399 K HN 0.112 nan 8.250 nan 0.000 0.444 400 A N 1.363 124.264 122.820 0.135 0.000 1.930 400 A HA -0.046 4.276 4.320 0.002 0.000 0.217 400 A C 2.353 180.010 177.584 0.122 0.000 1.175 400 A CA 1.623 53.765 52.037 0.175 0.000 0.627 400 A CB -0.517 18.643 19.000 0.267 0.000 0.815 400 A HN 0.334 nan 8.150 nan 0.000 0.443 401 A N -0.578 122.277 122.820 0.058 0.000 1.930 401 A HA 0.026 4.347 4.320 0.002 0.000 0.217 401 A C 2.194 179.784 177.584 0.010 0.000 1.175 401 A CA 1.668 53.715 52.037 0.017 0.000 0.627 401 A CB -0.803 18.172 19.000 -0.041 0.000 0.815 401 A HN 0.346 nan 8.150 nan 0.000 0.443 402 V N 0.383 120.309 119.914 0.021 0.000 2.358 402 V HA -0.190 3.931 4.120 0.002 0.000 0.246 402 V C 2.520 178.641 176.094 0.044 0.000 1.047 402 V CA 2.080 64.398 62.300 0.029 0.000 1.035 402 V CB -0.622 31.227 31.823 0.043 0.000 0.658 402 V HN 0.525 nan 8.190 nan 0.000 0.452 403 E N -0.040 120.199 120.200 0.065 0.000 2.106 403 E HA -0.114 4.237 4.350 0.002 0.000 0.192 403 E C 2.139 178.747 176.600 0.014 0.000 0.984 403 E CA 1.151 57.601 56.400 0.084 0.000 0.806 403 E CB -0.251 29.456 29.700 0.012 0.000 0.750 403 E HN 0.576 nan 8.360 nan 0.000 0.458 404 I N 1.336 121.932 120.570 0.044 0.000 2.252 404 I HA -0.275 3.896 4.170 0.002 0.000 0.245 404 I C 1.730 177.838 176.117 -0.014 0.000 1.102 404 I CA 1.060 62.398 61.300 0.064 0.000 1.385 404 I CB -0.333 37.754 38.000 0.145 0.000 1.064 404 I HN 0.039 nan 8.210 nan 0.000 0.414 405 N N 0.804 119.488 118.700 -0.027 0.000 2.142 405 N HA -0.164 4.577 4.740 0.002 0.000 0.186 405 N C 1.719 177.200 175.510 -0.049 0.000 1.023 405 N CA 0.865 53.884 53.050 -0.052 0.000 0.852 405 N CB -0.266 38.194 38.487 -0.045 0.000 0.998 405 N HN 0.133 nan 8.380 nan 0.000 0.424 406 L N 0.923 122.117 121.223 -0.048 0.000 2.012 406 L HA -0.156 4.185 4.340 0.002 0.000 0.210 406 L C 2.050 178.816 176.870 -0.173 0.000 1.073 406 L CA 1.661 56.442 54.840 -0.097 0.000 0.748 406 L CB -0.865 41.122 42.059 -0.120 0.000 0.891 406 L HN 0.194 nan 8.230 nan 0.000 0.431 407 A N -1.188 121.479 122.820 -0.255 0.000 1.892 407 A HA -0.233 4.088 4.320 0.002 0.000 0.218 407 A C 2.290 179.841 177.584 -0.055 0.000 1.188 407 A CA 2.409 54.258 52.037 -0.314 0.000 0.631 407 A CB -1.290 17.319 19.000 -0.651 0.000 0.822 407 A HN 0.320 nan 8.150 nan 0.000 0.447 408 V N 0.025 119.929 119.914 -0.017 0.000 2.255 408 V HA -0.299 3.822 4.120 0.002 0.000 0.247 408 V C 2.603 178.747 176.094 0.082 0.000 1.051 408 V CA 2.162 64.495 62.300 0.055 0.000 1.018 408 V CB -0.805 30.966 31.823 -0.087 0.000 0.641 408 V HN 0.595 nan 8.190 nan 0.000 0.445 409 L N -0.587 120.638 121.223 0.003 0.000 2.043 409 L HA -0.265 4.076 4.340 0.002 0.000 0.212 409 L C 2.580 179.484 176.870 0.057 0.000 1.075 409 L CA 2.230 57.081 54.840 0.018 0.000 0.752 409 L CB -0.809 41.250 42.059 0.000 0.000 0.891 409 L HN 0.522 nan 8.230 nan 0.000 0.432 410 H N -0.249 118.787 119.070 -0.057 0.000 2.299 410 H HA -0.125 4.432 4.556 0.002 0.000 0.302 410 H C 2.368 177.685 175.328 -0.019 0.000 1.078 410 H CA 1.925 57.926 56.048 -0.077 0.000 1.323 410 H CB -0.094 29.558 29.762 -0.183 0.000 1.381 410 H HN 0.153 nan 8.280 nan 0.000 0.498 411 S N 0.012 115.644 115.700 -0.114 0.000 2.365 411 S HA -0.197 4.274 4.470 0.002 0.000 0.221 411 S C 2.116 176.653 174.600 -0.105 0.000 1.037 411 S CA 1.572 59.691 58.200 -0.134 0.000 1.060 411 S CB -0.896 62.333 63.200 0.049 0.000 0.974 411 S HN 0.387 nan 8.310 nan 0.000 0.427 412 F N 1.607 121.494 119.950 -0.105 0.000 2.120 412 F HA -0.210 4.318 4.527 0.002 0.000 0.300 412 F C 2.895 178.635 175.800 -0.099 0.000 1.095 412 F CA 1.557 59.516 58.000 -0.070 0.000 1.249 412 F CB -0.342 38.638 39.000 -0.033 0.000 0.995 412 F HN 0.188 nan 8.300 nan 0.000 0.480 413 Q N -0.508 119.323 119.800 0.053 0.000 2.224 413 Q HA -0.174 4.167 4.340 0.002 0.000 0.203 413 Q C 2.003 177.934 176.000 -0.115 0.000 0.970 413 Q CA 0.889 56.673 55.803 -0.032 0.000 0.865 413 Q CB -0.161 28.556 28.738 -0.035 0.000 0.922 413 Q HN 0.368 nan 8.270 nan 0.000 0.445 414 L N -0.636 120.455 121.223 -0.219 0.000 2.095 414 L HA 0.085 4.426 4.340 0.002 0.000 0.204 414 L C 1.582 178.358 176.870 -0.158 0.000 1.080 414 L CA 1.552 56.247 54.840 -0.241 0.000 0.759 414 L CB -0.373 41.445 42.059 -0.402 0.000 0.914 414 L HN 0.085 nan 8.230 nan 0.000 0.439 415 A N -0.944 121.777 122.820 -0.164 0.000 2.291 415 A HA 0.072 4.393 4.320 0.002 0.000 0.220 415 A C 0.383 177.901 177.584 -0.111 0.000 1.262 415 A CA -0.168 51.782 52.037 -0.145 0.000 0.867 415 A CB -0.583 18.297 19.000 -0.200 0.000 0.888 415 A HN 0.330 nan 8.150 nan 0.000 0.487 416 K N -0.837 119.511 120.400 -0.087 0.000 3.490 416 K HA -0.141 4.180 4.320 0.002 0.000 0.273 416 K C -0.617 175.957 176.600 -0.044 0.000 0.916 416 K CA 0.727 56.979 56.287 -0.059 0.000 0.718 416 K CB -2.596 29.870 32.500 -0.056 0.000 1.477 416 K HN 0.298 nan 8.250 nan 0.000 0.452 417 V N 0.809 120.715 119.914 -0.013 0.000 2.540 417 V HA 0.212 4.333 4.120 0.002 0.000 0.302 417 V C 0.721 176.904 176.094 0.149 0.000 1.035 417 V CA -0.860 61.473 62.300 0.056 0.000 0.873 417 V CB 2.182 34.010 31.823 0.007 0.000 0.992 417 V HN 0.368 nan 8.190 nan 0.000 0.428 418 T N 6.199 120.786 114.554 0.056 0.000 2.908 418 T HA 0.407 4.758 4.350 0.002 0.000 0.301 418 T C -0.264 174.444 174.700 0.012 0.000 1.019 418 T CA 0.984 63.020 62.100 -0.106 0.000 1.152 418 T CB -0.051 68.591 68.868 -0.377 0.000 0.966 418 T HN 0.543 nan 8.240 nan 0.000 0.540 419 I N 2.446 122.964 120.570 -0.087 0.000 2.882 419 I HA 0.578 4.750 4.170 0.002 0.000 0.298 419 I C -1.643 174.474 176.117 0.001 0.000 1.462 419 I CA -0.929 60.364 61.300 -0.010 0.000 1.000 419 I CB 1.998 39.931 38.000 -0.111 0.000 1.340 419 I HN 0.423 nan 8.210 nan 0.000 0.462 420 V N 5.217 125.198 119.914 0.111 0.000 2.569 420 V HA 0.440 4.561 4.120 0.002 0.000 0.301 420 V C -1.180 174.969 176.094 0.091 0.000 1.044 420 V CA -0.335 62.041 62.300 0.127 0.000 0.874 420 V CB 2.015 34.007 31.823 0.282 0.000 1.002 420 V HN 0.849 nan 8.190 nan 0.000 0.424 421 D N 4.515 124.944 120.400 0.049 0.000 2.361 421 D HA 0.109 4.750 4.640 0.002 0.000 0.239 421 D C 1.323 177.622 176.300 -0.001 0.000 1.200 421 D CA 0.337 54.356 54.000 0.032 0.000 0.915 421 D CB 0.414 41.199 40.800 -0.026 0.000 1.170 421 D HN 0.745 nan 8.370 nan 0.000 0.444 422 H N -0.127 118.886 119.070 -0.095 0.000 2.518 422 H HA -0.130 4.427 4.556 0.002 0.000 0.289 422 H C 0.903 176.138 175.328 -0.155 0.000 1.051 422 H CA 1.227 57.183 56.048 -0.153 0.000 1.280 422 H CB -0.493 29.119 29.762 -0.250 0.000 1.380 422 H HN 0.512 nan 8.280 nan 0.000 0.566 423 H N 1.265 120.098 119.070 -0.395 0.000 2.276 423 H HA 0.162 4.719 4.556 0.002 0.000 0.307 423 H C 2.576 177.866 175.328 -0.063 0.000 1.061 423 H CA 1.406 57.325 56.048 -0.214 0.000 1.336 423 H CB -0.481 29.125 29.762 -0.260 0.000 1.396 423 H HN 0.460 nan 8.280 nan 0.000 0.503 424 A N 1.528 124.397 122.820 0.081 0.000 1.892 424 A HA -0.202 4.119 4.320 0.002 0.000 0.218 424 A C 2.684 180.331 177.584 0.105 0.000 1.188 424 A CA 2.314 54.401 52.037 0.082 0.000 0.631 424 A CB -1.033 18.008 19.000 0.068 0.000 0.822 424 A HN 0.474 nan 8.150 nan 0.000 0.447 425 A N -0.407 122.474 122.820 0.102 0.000 1.908 425 A HA -0.142 4.179 4.320 0.002 0.000 0.218 425 A C 2.423 180.096 177.584 0.147 0.000 1.181 425 A CA 2.707 54.823 52.037 0.132 0.000 0.627 425 A CB -1.467 17.601 19.000 0.113 0.000 0.818 425 A HN 0.813 nan 8.150 nan 0.000 0.445 426 T N -2.594 112.031 114.554 0.118 0.000 2.951 426 T HA -0.034 4.317 4.350 0.002 0.000 0.268 426 T C 1.659 176.476 174.700 0.194 0.000 1.073 426 T CA 1.201 63.394 62.100 0.154 0.000 1.134 426 T CB -0.585 68.343 68.868 0.099 0.000 0.884 426 T HN 0.072 nan 8.240 nan 0.000 0.479 427 V N 2.880 122.886 119.914 0.152 0.000 2.295 427 V HA -0.177 3.944 4.120 0.002 0.000 0.246 427 V C 3.198 179.374 176.094 0.137 0.000 1.049 427 V CA 2.081 64.461 62.300 0.134 0.000 1.024 427 V CB -1.029 30.856 31.823 0.104 0.000 0.648 427 V HN 0.775 nan 8.190 nan 0.000 0.447 428 S N -0.197 115.595 115.700 0.153 0.000 2.402 428 S HA -0.203 4.268 4.470 0.002 0.000 0.229 428 S C 1.960 176.666 174.600 0.176 0.000 1.021 428 S CA 1.479 59.770 58.200 0.151 0.000 0.974 428 S CB -0.711 62.587 63.200 0.163 0.000 0.800 428 S HN 0.505 nan 8.310 nan 0.000 0.484 429 F N 1.578 121.583 119.950 0.092 0.000 2.206 429 F HA 0.157 4.685 4.527 0.002 0.000 0.298 429 F C 2.209 178.087 175.800 0.130 0.000 1.090 429 F CA 1.177 59.239 58.000 0.104 0.000 1.323 429 F CB -0.444 38.593 39.000 0.060 0.000 1.028 429 F HN 0.154 nan 8.300 nan 0.000 0.492 430 M N 0.878 120.548 119.600 0.117 0.000 2.082 430 M HA -0.225 4.256 4.480 0.002 0.000 0.258 430 M C 2.240 178.513 176.300 -0.045 0.000 1.069 430 M CA 1.754 57.082 55.300 0.046 0.000 1.102 430 M CB -0.770 31.899 32.600 0.114 0.000 1.336 430 M HN 0.121 nan 8.290 nan 0.000 0.404 431 K N -1.812 118.588 120.400 -0.000 0.000 2.002 431 K HA -0.251 4.070 4.320 0.002 0.000 0.209 431 K C 2.162 178.728 176.600 -0.057 0.000 1.048 431 K CA 1.930 58.212 56.287 -0.009 0.000 0.930 431 K CB -0.384 32.138 32.500 0.037 0.000 0.714 431 K HN 0.445 nan 8.250 nan 0.000 0.438 432 H N 0.508 119.472 119.070 -0.176 0.000 2.390 432 H HA -0.116 4.441 4.556 0.002 0.000 0.298 432 H C 1.734 176.883 175.328 -0.299 0.000 1.106 432 H CA 2.025 57.938 56.048 -0.224 0.000 1.297 432 H CB -0.145 29.442 29.762 -0.293 0.000 1.375 432 H HN 0.165 nan 8.280 nan 0.000 0.509 433 L N -0.343 120.619 121.223 -0.436 0.000 2.131 433 L HA -0.152 4.189 4.340 0.002 0.000 0.210 433 L C 2.257 178.982 176.870 -0.240 0.000 1.092 433 L CA 1.449 56.066 54.840 -0.372 0.000 0.759 433 L CB -0.380 41.506 42.059 -0.289 0.000 0.903 433 L HN 0.375 nan 8.230 nan 0.000 0.435 434 D N 0.168 120.458 120.400 -0.182 0.000 2.091 434 D HA -0.164 4.477 4.640 0.002 0.000 0.199 434 D C 1.894 178.113 176.300 -0.134 0.000 0.980 434 D CA 1.140 55.068 54.000 -0.121 0.000 0.831 434 D CB -0.025 40.730 40.800 -0.075 0.000 0.987 434 D HN 0.122 nan 8.370 nan 0.000 0.460 435 N N 0.814 119.421 118.700 -0.154 0.000 2.137 435 N HA -0.144 4.597 4.740 0.002 0.000 0.190 435 N C 1.610 177.019 175.510 -0.168 0.000 1.017 435 N CA 0.858 53.829 53.050 -0.132 0.000 0.859 435 N CB -0.234 38.190 38.487 -0.105 0.000 1.002 435 N HN 0.365 nan 8.380 nan 0.000 0.428 436 E N 0.492 120.513 120.200 -0.298 0.000 2.107 436 E HA -0.118 4.233 4.350 0.002 0.000 0.191 436 E C 1.889 178.393 176.600 -0.160 0.000 0.982 436 E CA 0.471 56.703 56.400 -0.279 0.000 0.809 436 E CB -0.137 29.304 29.700 -0.431 0.000 0.756 436 E HN 0.300 nan 8.360 nan 0.000 0.459 437 Q N 1.621 121.337 119.800 -0.140 0.000 2.084 437 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 437 Q C 1.790 177.748 176.000 -0.070 0.000 0.978 437 Q CA 1.698 57.449 55.803 -0.087 0.000 0.844 437 Q CB -0.004 28.688 28.738 -0.078 0.000 0.898 437 Q HN 0.138 nan 8.270 nan 0.000 0.426 438 K N -0.830 119.527 120.400 -0.072 0.000 2.025 438 K HA -0.002 4.319 4.320 0.002 0.000 0.207 438 K C 1.988 178.561 176.600 -0.046 0.000 1.049 438 K CA 1.149 57.405 56.287 -0.052 0.000 0.933 438 K CB -0.186 32.286 32.500 -0.046 0.000 0.714 438 K HN 0.231 nan 8.250 nan 0.000 0.438 439 A N 1.057 123.847 122.820 -0.050 0.000 2.016 439 A HA -0.024 4.297 4.320 0.002 0.000 0.217 439 A C 1.685 179.248 177.584 -0.034 0.000 1.162 439 A CA 0.942 52.960 52.037 -0.030 0.000 0.662 439 A CB 0.054 19.050 19.000 -0.008 0.000 0.812 439 A HN 0.167 nan 8.150 nan 0.000 0.450 440 R N -2.412 118.057 120.500 -0.051 0.000 2.541 440 R HA 0.252 4.593 4.340 0.002 0.000 0.332 440 R C 0.728 177.004 176.300 -0.040 0.000 0.951 440 R CA 0.448 56.523 56.100 -0.041 0.000 1.136 440 R CB 0.650 30.923 30.300 -0.046 0.000 1.449 440 R HN 0.629 nan 8.270 nan 0.000 0.531 441 G N 1.097 109.867 108.800 -0.049 0.000 2.198 441 G HA2 -0.147 3.814 3.960 0.002 0.000 0.257 441 G HA3 -0.147 3.814 3.960 0.002 0.000 0.257 441 G C 0.219 175.104 174.900 -0.026 0.000 1.042 441 G CA 0.167 45.235 45.100 -0.052 0.000 0.791 441 G HN 0.730 nan 8.290 nan 0.000 0.502 442 G N -2.433 106.361 108.800 -0.010 0.000 2.359 442 G HA2 0.529 4.490 3.960 0.002 0.000 0.314 442 G HA3 0.529 4.490 3.960 0.002 0.000 0.314 442 G C -0.594 174.337 174.900 0.052 0.000 1.364 442 G CA 0.461 45.590 45.100 0.048 0.000 0.978 442 G HN 2.142 nan 8.290 nan 0.000 0.615 443 C N 1.974 121.338 119.300 0.107 0.000 2.832 443 C HA 0.763 5.224 4.460 0.002 0.000 0.383 443 C C -2.571 172.430 174.990 0.018 0.000 1.046 443 C CA -1.080 57.961 59.018 0.037 0.000 1.242 443 C CB 1.448 29.157 27.740 -0.052 0.000 1.693 443 C HN 0.781 nan 8.230 nan 0.000 0.497 444 P HA 0.449 nan 4.420 nan 0.000 0.276 444 P C -0.747 176.474 177.300 -0.132 0.000 1.235 444 P CA 0.428 63.207 63.100 -0.535 0.000 0.772 444 P CB 1.302 32.403 31.700 -0.998 0.000 0.871 445 A N 2.484 125.283 122.820 -0.035 0.000 2.488 445 A HA 0.422 4.743 4.320 0.002 0.000 0.298 445 A C -1.157 176.473 177.584 0.076 0.000 1.044 445 A CA -0.557 51.533 52.037 0.088 0.000 0.693 445 A CB 1.297 20.457 19.000 0.267 0.000 1.272 445 A HN 0.462 nan 8.150 nan 0.000 0.402 446 D N 1.940 122.370 120.400 0.051 0.000 2.412 446 D HA 0.150 4.791 4.640 0.002 0.000 0.224 446 D C 0.769 177.186 176.300 0.195 0.000 1.093 446 D CA -0.477 53.587 54.000 0.107 0.000 0.850 446 D CB 0.522 41.330 40.800 0.012 0.000 1.046 446 D HN 0.607 nan 8.370 nan 0.000 0.507 447 W N 4.287 125.623 121.300 0.060 0.000 2.338 447 W HA -0.235 4.426 4.660 0.002 0.000 0.304 447 W C 1.890 178.454 176.519 0.074 0.000 1.212 447 W CA 2.024 59.399 57.345 0.050 0.000 1.264 447 W CB 0.101 29.574 29.460 0.021 0.000 1.142 447 W HN 0.573 nan 8.180 nan 0.000 0.512 448 A N -1.352 121.807 122.820 0.564 0.000 2.070 448 A HA -0.176 4.145 4.320 0.002 0.000 0.220 448 A C 1.404 179.110 177.584 0.202 0.000 1.159 448 A CA 1.474 53.778 52.037 0.445 0.000 0.656 448 A CB -1.139 18.131 19.000 0.450 0.000 0.800 448 A HN 0.540 nan 8.150 nan 0.000 0.453 449 W N -1.015 120.262 121.300 -0.038 0.000 2.762 449 W HA 0.227 4.888 4.660 0.002 0.000 0.265 449 W C 1.764 178.162 176.519 -0.202 0.000 1.263 449 W CA -0.147 57.143 57.345 -0.091 0.000 1.411 449 W CB 0.072 29.504 29.460 -0.046 0.000 1.065 449 W HN 0.132 nan 8.180 nan 0.000 0.609 450 I N -0.112 120.397 120.570 -0.102 0.000 2.406 450 I HA -0.066 4.105 4.170 0.002 0.000 0.249 450 I C 0.577 176.478 176.117 -0.360 0.000 1.122 450 I CA 0.825 61.932 61.300 -0.321 0.000 1.431 450 I CB -1.402 36.323 38.000 -0.459 0.000 1.087 450 I HN -0.423 nan 8.210 nan 0.000 0.424 451 V N 4.002 123.627 119.914 -0.483 0.000 2.479 451 V HA 0.098 4.219 4.120 0.002 0.000 0.281 451 V C -1.848 174.074 176.094 -0.287 0.000 1.031 451 V CA -1.173 60.850 62.300 -0.462 0.000 1.038 451 V CB 0.012 31.361 31.823 -0.790 0.000 0.981 451 V HN 0.125 nan 8.190 nan 0.000 0.478 452 P HA 0.020 nan 4.420 nan 0.000 0.267 452 P C -1.705 175.456 177.300 -0.231 0.000 1.195 452 P CA -0.746 62.222 63.100 -0.220 0.000 0.773 452 P CB 0.036 31.612 31.700 -0.207 0.000 0.837 453 P HA -0.014 nan 4.420 nan 0.000 0.226 453 P C 0.248 177.428 177.300 -0.200 0.000 1.153 453 P CA 1.250 64.221 63.100 -0.216 0.000 0.777 453 P CB 0.023 31.587 31.700 -0.225 0.000 0.794 454 I N -6.707 113.708 120.570 -0.259 0.000 2.828 454 I HA 0.464 4.635 4.170 0.002 0.000 0.302 454 I C -0.113 175.878 176.117 -0.209 0.000 1.101 454 I CA -1.210 59.957 61.300 -0.222 0.000 1.031 454 I CB 2.075 39.929 38.000 -0.243 0.000 1.231 454 I HN -0.387 nan 8.210 nan 0.000 0.427 455 S N 2.189 117.814 115.700 -0.124 0.000 3.533 455 S HA -0.196 4.275 4.470 0.002 0.000 0.347 455 S C 1.346 175.891 174.600 -0.092 0.000 1.101 455 S CA 0.863 59.023 58.200 -0.066 0.000 1.009 455 S CB -1.752 61.478 63.200 0.050 0.000 0.916 455 S HN 1.250 nan 8.310 nan 0.000 0.496 456 G N 1.678 110.388 108.800 -0.151 0.000 2.491 456 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 456 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 456 G C 1.383 176.122 174.900 -0.268 0.000 1.180 456 G CA 1.398 46.412 45.100 -0.144 0.000 0.774 456 G HN 0.818 nan 8.290 nan 0.000 0.562 457 S N -0.033 115.240 115.700 -0.711 0.000 2.469 457 S HA 0.057 4.528 4.470 0.002 0.000 0.238 457 S C 2.182 176.716 174.600 -0.109 0.000 0.998 457 S CA 0.665 58.317 58.200 -0.914 0.000 0.957 457 S CB -0.254 62.360 63.200 -0.975 0.000 0.764 457 S HN 0.338 nan 8.310 nan 0.000 0.514 458 L N 1.611 122.825 121.223 -0.016 0.000 2.599 458 L HA 0.158 4.499 4.340 0.002 0.000 0.230 458 L C 0.893 177.899 176.870 0.227 0.000 1.141 458 L CA 0.278 55.203 54.840 0.142 0.000 0.877 458 L CB -0.710 41.454 42.059 0.175 0.000 1.009 458 L HN 0.379 nan 8.230 nan 0.000 0.447 459 T N -4.566 110.107 114.554 0.199 0.000 2.855 459 T HA 0.330 4.681 4.350 0.002 0.000 0.281 459 T C -1.695 173.185 174.700 0.300 0.000 1.007 459 T CA -2.109 60.124 62.100 0.221 0.000 1.009 459 T CB 2.065 71.005 68.868 0.120 0.000 0.983 459 T HN -0.223 nan 8.240 nan 0.000 0.455 460 P HA -0.196 nan 4.420 nan 0.000 0.217 460 P C 1.829 179.322 177.300 0.321 0.000 1.148 460 P CA 1.555 64.845 63.100 0.317 0.000 0.834 460 P CB -0.374 31.455 31.700 0.215 0.000 0.783 461 V N -3.328 116.722 119.914 0.227 0.000 2.407 461 V HA -0.224 3.897 4.120 0.002 0.000 0.248 461 V C 2.450 178.615 176.094 0.118 0.000 1.055 461 V CA 1.591 63.984 62.300 0.155 0.000 1.049 461 V CB -2.314 29.521 31.823 0.021 0.000 0.662 461 V HN -0.092 nan 8.190 nan 0.000 0.455 462 F N 1.894 121.811 119.950 -0.054 0.000 2.161 462 F HA -0.187 4.341 4.527 0.001 0.000 0.300 462 F C 2.439 178.330 175.800 0.151 0.000 1.089 462 F CA 2.284 60.263 58.000 -0.036 0.000 1.282 462 F CB -0.348 38.521 39.000 -0.218 0.000 1.010 462 F HN 0.286 nan 8.300 nan 0.000 0.485 463 H N -0.994 118.341 119.070 0.443 0.000 2.539 463 H HA 0.107 4.664 4.556 0.002 0.000 0.267 463 H C 0.266 175.810 175.328 0.361 0.000 0.982 463 H CA 0.249 56.521 56.048 0.374 0.000 1.146 463 H CB -0.183 29.805 29.762 0.376 0.000 1.382 463 H HN 0.260 nan 8.280 nan 0.000 0.577 464 Q N 1.826 121.872 119.800 0.410 0.000 2.325 464 Q HA 0.177 4.518 4.340 0.002 0.000 0.262 464 Q C -0.588 175.641 176.000 0.383 0.000 0.968 464 Q CA -0.451 55.561 55.803 0.348 0.000 0.877 464 Q CB 0.980 29.889 28.738 0.285 0.000 1.253 464 Q HN 0.213 nan 8.270 nan 0.000 0.448 465 E N 3.337 123.719 120.200 0.303 0.000 2.366 465 E HA 0.340 4.691 4.350 0.002 0.000 0.266 465 E C -0.500 176.249 176.600 0.249 0.000 1.051 465 E CA 0.121 56.671 56.400 0.250 0.000 0.884 465 E CB 0.892 30.715 29.700 0.205 0.000 1.006 465 E HN 0.610 nan 8.360 nan 0.000 0.417 466 M N 1.204 120.955 119.600 0.252 0.000 2.593 466 M HA 0.431 4.912 4.480 0.002 0.000 0.290 466 M C -1.184 175.238 176.300 0.203 0.000 1.244 466 M CA -1.017 54.433 55.300 0.249 0.000 0.857 466 M CB 2.355 35.151 32.600 0.327 0.000 1.738 466 M HN 0.151 nan 8.290 nan 0.000 0.461 467 V N 1.458 121.500 119.914 0.213 0.000 2.555 467 V HA 0.563 4.684 4.120 0.002 0.000 0.302 467 V C -0.982 175.236 176.094 0.208 0.000 1.038 467 V CA -0.697 61.755 62.300 0.253 0.000 0.887 467 V CB 1.995 34.030 31.823 0.354 0.000 0.991 467 V HN 0.854 nan 8.190 nan 0.000 0.434 468 N N 2.961 121.780 118.700 0.198 0.000 2.346 468 N HA 0.681 5.422 4.740 0.002 0.000 0.289 468 N C -1.296 174.298 175.510 0.138 0.000 1.027 468 N CA -0.487 52.582 53.050 0.031 0.000 0.864 468 N CB 1.493 40.004 38.487 0.039 0.000 1.370 468 N HN 0.666 nan 8.380 nan 0.000 0.481 469 Y N 0.377 120.698 120.300 0.035 0.000 2.705 469 Y HA 0.611 5.162 4.550 0.002 0.000 0.332 469 Y C -1.004 174.902 175.900 0.010 0.000 1.221 469 Y CA -1.300 56.815 58.100 0.024 0.000 1.059 469 Y CB 0.991 39.470 38.460 0.033 0.000 1.298 469 Y HN 0.171 nan 8.280 nan 0.000 0.459 470 I N 3.164 123.828 120.570 0.156 0.000 2.307 470 I HA 0.357 4.528 4.170 0.002 0.000 0.289 470 I C -0.691 175.489 176.117 0.105 0.000 1.021 470 I CA -0.238 61.100 61.300 0.063 0.000 1.224 470 I CB 0.797 38.822 38.000 0.040 0.000 1.376 470 I HN 0.389 nan 8.210 nan 0.000 0.470 471 L N 4.500 125.757 121.223 0.057 0.000 2.358 471 L HA 0.619 4.960 4.340 0.002 0.000 0.268 471 L C 0.161 177.039 176.870 0.012 0.000 1.032 471 L CA -0.555 54.326 54.840 0.069 0.000 0.805 471 L CB 1.950 44.047 42.059 0.063 0.000 1.253 471 L HN 0.508 nan 8.230 nan 0.000 0.452 472 S N 0.571 116.286 115.700 0.026 0.000 2.536 472 S HA 0.594 5.065 4.470 0.002 0.000 0.287 472 S C -2.618 172.005 174.600 0.039 0.000 1.101 472 S CA -1.383 56.820 58.200 0.005 0.000 0.950 472 S CB 1.964 65.181 63.200 0.029 0.000 1.056 472 S HN 0.216 nan 8.310 nan 0.000 0.481 473 P HA 0.341 nan 4.420 nan 0.000 0.267 473 P C -1.361 175.830 177.300 -0.183 0.000 1.195 473 P CA 0.124 63.142 63.100 -0.137 0.000 0.773 473 P CB 0.426 31.999 31.700 -0.212 0.000 0.837 474 A N 1.931 124.604 122.820 -0.246 0.000 2.594 474 A HA 0.635 4.956 4.320 0.002 0.000 0.295 474 A C -1.494 175.895 177.584 -0.326 0.000 1.071 474 A CA -0.519 51.378 52.037 -0.234 0.000 0.685 474 A CB 0.758 19.688 19.000 -0.117 0.000 1.285 474 A HN 0.325 nan 8.150 nan 0.000 0.405 475 F N 1.321 121.179 119.950 -0.154 0.000 2.411 475 F HA 0.623 5.151 4.527 0.002 0.000 0.350 475 F C 1.060 176.729 175.800 -0.218 0.000 1.114 475 F CA 0.393 58.292 58.000 -0.169 0.000 1.135 475 F CB 1.465 40.324 39.000 -0.235 0.000 1.120 475 F HN 0.570 nan 8.300 nan 0.000 0.495 476 R N 1.618 122.107 120.500 -0.018 0.000 2.912 476 R HA 0.506 4.847 4.340 0.002 0.000 0.262 476 R C -1.451 174.776 176.300 -0.123 0.000 1.057 476 R CA -1.151 54.873 56.100 -0.126 0.000 0.981 476 R CB 1.605 31.879 30.300 -0.043 0.000 1.201 476 R HN 0.415 nan 8.270 nan 0.000 0.484 477 Y N 0.914 121.230 120.300 0.027 0.000 2.316 477 Y HA 0.238 4.789 4.550 0.002 0.000 0.324 477 Y C 0.245 176.140 175.900 -0.008 0.000 1.267 477 Y CA -0.185 57.921 58.100 0.011 0.000 1.311 477 Y CB 1.143 39.594 38.460 -0.014 0.000 1.267 477 Y HN 0.403 nan 8.280 nan 0.000 0.516 478 Q N 1.677 121.569 119.800 0.153 0.000 2.340 478 Q HA 0.517 4.858 4.340 0.002 0.000 0.276 478 Q C -3.104 172.865 176.000 -0.052 0.000 1.048 478 Q CA -2.318 53.507 55.803 0.036 0.000 0.832 478 Q CB 2.122 30.874 28.738 0.023 0.000 1.373 478 Q HN 0.361 nan 8.270 nan 0.000 0.409 479 P HA -0.004 nan 4.420 nan 0.000 0.266 479 P C -0.772 176.315 177.300 -0.355 0.000 1.193 479 P CA 0.113 63.085 63.100 -0.214 0.000 0.770 479 P CB 0.514 32.106 31.700 -0.180 0.000 0.836 480 D N 3.580 123.623 120.400 -0.595 0.000 2.424 480 D HA 0.038 4.679 4.640 0.002 0.000 0.244 480 D C -1.246 174.442 176.300 -1.019 0.000 1.134 480 D CA -1.087 52.270 54.000 -1.071 0.000 0.881 480 D CB 0.220 39.882 40.800 -1.896 0.000 1.191 480 D HN 0.332 nan 8.370 nan 0.000 0.445 481 P HA 0.014 nan 4.420 nan 0.000 0.279 481 P C -0.708 176.394 177.300 -0.330 0.000 1.451 481 P CA 0.169 62.977 63.100 -0.487 0.000 0.783 481 P CB -0.533 30.981 31.700 -0.311 0.000 1.490 482 W N 0.000 121.072 121.300 -0.379 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.213 57.345 -0.220 0.000 1.226 482 W CB 0.000 29.236 29.460 -0.374 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535