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 8nse_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.625 176.600 0.041 0.000 0.988 69 K CA 0.000 56.202 56.287 -0.142 0.000 0.838 69 K CB 0.000 32.247 32.500 -0.421 0.000 1.064 70 F N 4.414 124.388 119.950 0.040 0.000 2.413 70 F HA 0.294 4.822 4.527 0.002 0.000 0.359 70 F C -2.025 173.859 175.800 0.140 0.000 1.122 70 F CA -2.238 55.808 58.000 0.077 0.000 1.160 70 F CB 0.508 39.562 39.000 0.091 0.000 1.146 70 F HN -0.105 nan 8.300 nan 0.000 0.514 71 P HA -0.017 nan 4.420 nan 0.000 0.266 71 P C -0.624 176.733 177.300 0.094 0.000 1.195 71 P CA -0.196 62.999 63.100 0.158 0.000 0.768 71 P CB 0.566 32.337 31.700 0.119 0.000 0.838 72 R N 2.858 123.354 120.500 -0.006 0.000 2.207 72 R HA 0.409 4.750 4.340 0.002 0.000 0.334 72 R C -1.389 174.825 176.300 -0.144 0.000 1.013 72 R CA -0.500 55.453 56.100 -0.244 0.000 0.858 72 R CB 0.394 30.581 30.300 -0.187 0.000 1.094 72 R HN 0.218 nan 8.270 nan 0.000 0.457 73 V N 5.490 125.297 119.914 -0.177 0.000 2.384 73 V HA 0.344 4.465 4.120 0.002 0.000 0.287 73 V C -0.255 175.775 176.094 -0.107 0.000 1.020 73 V CA -0.654 61.603 62.300 -0.071 0.000 0.850 73 V CB 1.477 33.292 31.823 -0.014 0.000 0.987 73 V HN 0.734 nan 8.190 nan 0.000 0.436 74 K N 4.172 124.528 120.400 -0.074 0.000 2.259 74 K HA 0.443 4.765 4.320 0.002 0.000 0.249 74 K C -0.687 175.839 176.600 -0.123 0.000 0.942 74 K CA -0.730 55.441 56.287 -0.193 0.000 0.816 74 K CB 1.687 33.931 32.500 -0.427 0.000 1.155 74 K HN 0.693 nan 8.250 nan 0.000 0.428 75 N N 3.644 122.249 118.700 -0.157 0.000 2.419 75 N HA 0.116 4.857 4.740 0.002 0.000 0.277 75 N C -0.537 174.899 175.510 -0.123 0.000 1.006 75 N CA -0.366 52.690 53.050 0.009 0.000 0.923 75 N CB 0.555 39.064 38.487 0.036 0.000 1.140 75 N HN 0.671 nan 8.380 nan 0.000 0.488 76 W N 2.003 123.377 121.300 0.122 0.000 3.345 76 W HA 0.225 4.887 4.660 0.002 0.000 0.282 76 W C 1.840 178.405 176.519 0.077 0.000 1.302 76 W CA -0.318 57.092 57.345 0.108 0.000 1.724 76 W CB 0.305 29.853 29.460 0.147 0.000 1.104 76 W HN 0.683 nan 8.180 nan 0.000 0.694 77 E N 0.035 120.340 120.200 0.174 0.000 2.340 77 E HA 0.033 4.384 4.350 0.002 0.000 0.198 77 E C 1.371 177.980 176.600 0.016 0.000 0.961 77 E CA 0.687 57.111 56.400 0.040 0.000 0.905 77 E CB 0.115 29.802 29.700 -0.021 0.000 0.884 77 E HN 0.253 nan 8.360 nan 0.000 0.491 78 L N -0.683 120.543 121.223 0.006 0.000 3.016 78 L HA 0.427 4.769 4.340 0.002 0.000 0.267 78 L C 1.264 178.095 176.870 -0.064 0.000 1.182 78 L CA 0.187 55.014 54.840 -0.021 0.000 0.997 78 L CB 1.079 43.133 42.059 -0.008 0.000 1.354 78 L HN 0.266 nan 8.230 nan 0.000 0.569 79 G N 1.144 109.873 108.800 -0.118 0.000 2.200 79 G HA2 -0.377 3.584 3.960 0.002 0.000 0.268 79 G HA3 -0.377 3.584 3.960 0.002 0.000 0.268 79 G C 0.548 175.338 174.900 -0.183 0.000 0.986 79 G CA 0.779 45.762 45.100 -0.195 0.000 0.677 79 G HN 0.541 nan 8.290 nan 0.000 0.532 80 S N -0.765 114.852 115.700 -0.137 0.000 2.600 80 S HA 0.738 5.209 4.470 0.002 0.000 0.265 80 S C 0.125 174.633 174.600 -0.153 0.000 1.325 80 S CA -0.159 57.974 58.200 -0.111 0.000 1.002 80 S CB 1.817 64.977 63.200 -0.067 0.000 0.921 80 S HN 0.730 nan 8.310 nan 0.000 0.554 81 I N 0.796 121.286 120.570 -0.134 0.000 2.775 81 I HA 0.450 4.621 4.170 0.002 0.000 0.295 81 I C -0.376 175.641 176.117 -0.168 0.000 1.287 81 I CA -0.555 60.637 61.300 -0.180 0.000 1.029 81 I CB 2.734 40.601 38.000 -0.221 0.000 1.282 81 I HN 1.025 nan 8.210 nan 0.000 0.426 82 T N 0.436 114.859 114.554 -0.219 0.000 2.838 82 T HA 0.625 4.976 4.350 0.002 0.000 0.292 82 T C -1.436 173.074 174.700 -0.316 0.000 1.113 82 T CA -0.744 61.256 62.100 -0.166 0.000 1.008 82 T CB 1.752 70.583 68.868 -0.062 0.000 1.259 82 T HN 0.312 nan 8.240 nan 0.000 0.520 83 Y N 0.474 120.766 120.300 -0.013 0.000 2.376 83 Y HA 0.359 4.910 4.550 0.002 0.000 0.326 83 Y C 0.116 175.983 175.900 -0.055 0.000 0.970 83 Y CA -0.946 57.153 58.100 -0.002 0.000 1.248 83 Y CB 1.266 39.732 38.460 0.011 0.000 1.117 83 Y HN 0.706 nan 8.280 nan 0.000 0.476 84 D N 2.656 123.104 120.400 0.081 0.000 2.342 84 D HA 0.008 4.650 4.640 0.002 0.000 0.260 84 D C 0.811 177.051 176.300 -0.100 0.000 1.278 84 D CA 0.463 54.475 54.000 0.020 0.000 0.910 84 D CB 1.011 41.867 40.800 0.092 0.000 1.079 84 D HN 0.748 nan 8.370 nan 0.000 0.496 85 T N 0.935 115.328 114.554 -0.269 0.000 3.054 85 T HA -0.028 4.323 4.350 0.002 0.000 0.255 85 T C 1.709 176.206 174.700 -0.339 0.000 1.035 85 T CA -0.354 61.401 62.100 -0.576 0.000 0.941 85 T CB 0.180 68.541 68.868 -0.844 0.000 1.026 85 T HN 0.242 nan 8.240 nan 0.000 0.533 86 L N 2.255 123.352 121.223 -0.211 0.000 2.217 86 L HA 0.143 4.484 4.340 0.002 0.000 0.211 86 L C 2.429 179.114 176.870 -0.310 0.000 1.107 86 L CA 0.886 55.641 54.840 -0.143 0.000 0.783 86 L CB -0.831 41.246 42.059 0.030 0.000 0.919 86 L HN 0.635 nan 8.230 nan 0.000 0.442 87 C N -1.849 117.044 119.300 -0.679 0.000 2.449 87 C HA 0.206 4.668 4.460 0.002 0.000 0.283 87 C C 2.764 177.512 174.990 -0.403 0.000 1.453 87 C CA 0.012 58.369 59.018 -1.102 0.000 1.779 87 C CB -2.198 24.785 27.740 -1.261 0.000 1.779 87 C HN 0.561 nan 8.230 nan 0.000 0.546 88 A N 0.860 123.562 122.820 -0.197 0.000 1.972 88 A HA -0.117 4.204 4.320 0.002 0.000 0.219 88 A C 2.257 179.815 177.584 -0.043 0.000 1.169 88 A CA 1.479 53.491 52.037 -0.042 0.000 0.635 88 A CB -0.420 18.611 19.000 0.052 0.000 0.810 88 A HN 0.669 nan 8.150 nan 0.000 0.446 89 Q N 0.382 120.144 119.800 -0.063 0.000 2.482 89 Q HA 0.058 4.399 4.340 0.002 0.000 0.209 89 Q C 0.750 176.754 176.000 0.006 0.000 0.961 89 Q CA 0.456 56.251 55.803 -0.013 0.000 0.945 89 Q CB -0.746 27.994 28.738 0.002 0.000 1.012 89 Q HN 0.483 nan 8.270 nan 0.000 0.515 90 S N 1.385 117.074 115.700 -0.019 0.000 2.498 90 S HA 0.036 4.507 4.470 0.002 0.000 0.281 90 S C 0.765 175.382 174.600 0.030 0.000 1.265 90 S CA -0.129 58.091 58.200 0.034 0.000 1.071 90 S CB 0.419 63.641 63.200 0.036 0.000 0.894 90 S HN 0.091 nan 8.310 nan 0.000 0.491 91 Q N 2.677 122.501 119.800 0.040 0.000 2.217 91 Q HA 0.230 4.571 4.340 0.002 0.000 0.217 91 Q C -0.029 175.990 176.000 0.032 0.000 0.844 91 Q CA 0.135 55.958 55.803 0.033 0.000 0.957 91 Q CB 0.652 29.412 28.738 0.036 0.000 1.127 91 Q HN 0.821 nan 8.270 nan 0.000 0.503 92 Q N 0.660 120.482 119.800 0.038 0.000 2.342 92 Q HA 0.269 4.610 4.340 0.002 0.000 0.267 92 Q C -1.313 174.710 176.000 0.039 0.000 1.038 92 Q CA -0.478 55.344 55.803 0.032 0.000 0.832 92 Q CB 1.418 30.171 28.738 0.025 0.000 1.323 92 Q HN -0.158 nan 8.270 nan 0.000 0.448 93 D N 2.142 122.561 120.400 0.032 0.000 2.210 93 D HA 0.380 5.021 4.640 0.002 0.000 0.249 93 D C 0.089 176.410 176.300 0.036 0.000 1.062 93 D CA 0.026 54.048 54.000 0.035 0.000 0.891 93 D CB 1.611 42.427 40.800 0.028 0.000 1.186 93 D HN 0.704 nan 8.370 nan 0.000 0.432 94 G N 1.034 109.860 108.800 0.044 0.000 2.531 94 G HA2 0.298 4.259 3.960 0.002 0.000 0.253 94 G HA3 0.298 4.259 3.960 0.002 0.000 0.253 94 G C -1.582 173.340 174.900 0.036 0.000 1.439 94 G CA -0.458 44.667 45.100 0.041 0.000 1.056 94 G HN 0.395 nan 8.290 nan 0.000 0.555 95 P HA 0.240 nan 4.420 nan 0.000 0.275 95 P C 0.018 177.338 177.300 0.033 0.000 1.310 95 P CA -0.145 62.975 63.100 0.034 0.000 0.904 95 P CB 0.289 32.011 31.700 0.037 0.000 1.381 96 C N 1.048 120.369 119.300 0.036 0.000 2.534 96 C HA 0.637 5.098 4.460 0.002 0.000 0.385 96 C C 0.987 175.994 174.990 0.028 0.000 1.264 96 C CA 0.205 59.243 59.018 0.033 0.000 2.342 96 C CB 0.879 28.642 27.740 0.039 0.000 2.564 96 C HN 0.366 nan 8.230 nan 0.000 0.603 97 T N -1.351 113.217 114.554 0.023 0.000 2.883 97 T HA 0.420 4.771 4.350 0.002 0.000 0.301 97 T C -2.446 172.264 174.700 0.016 0.000 1.158 97 T CA -1.181 60.929 62.100 0.018 0.000 1.007 97 T CB 1.449 70.326 68.868 0.015 0.000 1.186 97 T HN 0.278 nan 8.240 nan 0.000 0.499 98 P HA 0.014 nan 4.420 nan 0.000 0.221 98 P C 1.341 178.646 177.300 0.008 0.000 1.145 98 P CA 0.731 63.837 63.100 0.011 0.000 0.795 98 P CB 0.124 31.829 31.700 0.008 0.000 0.775 99 R N -0.603 119.902 120.500 0.008 0.000 2.119 99 R HA 0.056 4.397 4.340 0.002 0.000 0.222 99 R C 0.858 177.162 176.300 0.006 0.000 1.088 99 R CA 0.765 56.869 56.100 0.006 0.000 0.984 99 R CB -0.132 30.172 30.300 0.006 0.000 0.884 99 R HN 0.225 nan 8.270 nan 0.000 0.447 100 R N 0.047 120.552 120.500 0.009 0.000 2.594 100 R HA 0.179 4.520 4.340 0.002 0.000 0.265 100 R C -1.582 174.726 176.300 0.014 0.000 1.070 100 R CA -0.735 55.371 56.100 0.009 0.000 0.909 100 R CB 0.350 30.656 30.300 0.009 0.000 1.243 100 R HN 0.019 nan 8.270 nan 0.000 0.455 101 C N 3.977 123.285 119.300 0.013 0.000 2.369 101 C HA 0.567 5.028 4.460 0.002 0.000 0.358 101 C C 0.882 175.887 174.990 0.025 0.000 1.274 101 C CA -0.598 58.431 59.018 0.019 0.000 1.935 101 C CB -0.708 27.040 27.740 0.013 0.000 2.431 101 C HN 0.791 nan 8.230 nan 0.000 0.545 102 L N 5.504 126.747 121.223 0.034 0.000 3.168 102 L HA 0.281 4.622 4.340 0.002 0.000 0.277 102 L C 2.089 178.992 176.870 0.055 0.000 1.245 102 L CA 0.260 55.125 54.840 0.041 0.000 1.035 102 L CB -0.102 41.979 42.059 0.036 0.000 1.399 102 L HN 1.004 nan 8.230 nan 0.000 0.580 103 G N 0.435 109.270 108.800 0.058 0.000 2.501 103 G HA2 -0.258 3.703 3.960 0.002 0.000 0.220 103 G HA3 -0.258 3.703 3.960 0.002 0.000 0.220 103 G C 1.512 176.478 174.900 0.111 0.000 1.114 103 G CA 1.187 46.334 45.100 0.077 0.000 0.757 103 G HN 0.505 nan 8.290 nan 0.000 0.559 104 S N -0.706 115.058 115.700 0.108 0.000 2.575 104 S HA 0.352 4.823 4.470 0.002 0.000 0.215 104 S C 0.561 175.248 174.600 0.145 0.000 0.966 104 S CA -0.492 57.792 58.200 0.141 0.000 0.911 104 S CB 0.061 63.328 63.200 0.113 0.000 0.780 104 S HN -0.012 nan 8.310 nan 0.000 0.514 105 L N 1.976 123.269 121.223 0.116 0.000 2.380 105 L HA 0.296 4.638 4.340 0.002 0.000 0.273 105 L C 1.401 178.357 176.870 0.143 0.000 1.138 105 L CA 0.098 55.002 54.840 0.107 0.000 0.832 105 L CB 0.893 42.994 42.059 0.070 0.000 1.124 105 L HN -0.024 nan 8.230 nan 0.000 0.454 106 V N 3.110 123.116 119.914 0.154 0.000 2.283 106 V HA -0.062 4.059 4.120 0.002 0.000 0.243 106 V C 0.800 176.948 176.094 0.090 0.000 1.039 106 V CA 1.167 63.583 62.300 0.193 0.000 1.016 106 V CB -0.308 31.628 31.823 0.187 0.000 0.650 106 V HN 0.479 nan 8.190 nan 0.000 0.449 107 L N -0.857 120.377 121.223 0.018 0.000 2.313 107 L HA 0.416 4.757 4.340 0.002 0.000 0.268 107 L C -1.798 175.092 176.870 0.034 0.000 1.010 107 L CA -1.524 53.306 54.840 -0.018 0.000 0.814 107 L CB 1.254 43.246 42.059 -0.111 0.000 1.304 107 L HN 0.072 nan 8.230 nan 0.000 0.441 108 P HA 0.468 nan 4.420 nan 0.000 0.219 108 P C -0.279 177.034 177.300 0.022 0.000 1.149 108 P CA -0.104 63.023 63.100 0.045 0.000 0.755 108 P CB 0.685 32.423 31.700 0.064 0.000 1.201 109 R N -3.466 117.047 120.500 0.022 0.000 1.824 109 R HA -0.030 4.311 4.340 0.002 0.000 0.390 109 R C 1.196 177.503 176.300 0.011 0.000 0.226 109 R CA 0.432 56.536 56.100 0.007 0.000 1.417 109 R CB -1.426 28.874 30.300 -0.001 0.000 1.877 109 R HN 0.045 nan 8.270 nan 0.000 0.202 110 K N 0.118 120.530 120.400 0.019 0.000 2.399 110 K HA 0.349 4.671 4.320 0.002 0.000 0.196 110 K C 0.930 177.543 176.600 0.020 0.000 1.117 110 K CA 0.519 56.816 56.287 0.017 0.000 0.965 110 K CB 0.551 33.062 32.500 0.018 0.000 0.983 110 K HN 0.009 nan 8.250 nan 0.000 0.531 111 L N 0.800 122.041 121.223 0.030 0.000 2.585 111 L HA 0.289 4.630 4.340 0.002 0.000 0.226 111 L C 0.723 177.613 176.870 0.033 0.000 1.113 111 L CA 0.320 55.176 54.840 0.028 0.000 0.876 111 L CB -0.417 41.661 42.059 0.032 0.000 1.072 111 L HN 0.099 nan 8.230 nan 0.000 0.468 112 Q N 0.368 120.192 119.800 0.041 0.000 2.614 112 Q HA 0.086 4.427 4.340 0.002 0.000 0.244 112 Q C 0.083 176.095 176.000 0.021 0.000 1.097 112 Q CA 0.671 56.500 55.803 0.043 0.000 0.986 112 Q CB 0.581 29.335 28.738 0.026 0.000 1.308 112 Q HN 0.318 nan 8.270 nan 0.000 0.546 113 T N 0.704 115.268 114.554 0.017 0.000 3.250 113 T HA 0.420 4.771 4.350 0.002 0.000 0.391 113 T C -0.319 174.375 174.700 -0.009 0.000 1.502 113 T CA -0.921 61.180 62.100 0.001 0.000 1.320 113 T CB 0.410 69.279 68.868 0.002 0.000 1.102 113 T HN 0.377 nan 8.240 nan 0.000 0.610 114 R N 2.578 123.070 120.500 -0.013 0.000 2.638 114 R HA 0.150 4.491 4.340 0.002 0.000 0.268 114 R C -1.916 174.371 176.300 -0.022 0.000 1.006 114 R CA -0.902 55.187 56.100 -0.019 0.000 1.088 114 R CB -0.126 30.165 30.300 -0.016 0.000 0.950 114 R HN 0.412 nan 8.270 nan 0.000 0.419 115 P HA -0.007 nan 4.420 nan 0.000 0.286 115 P C -0.463 176.824 177.300 -0.022 0.000 1.278 115 P CA 0.033 63.119 63.100 -0.024 0.000 0.785 115 P CB 0.422 32.108 31.700 -0.024 0.000 1.269 116 S N 0.640 116.328 115.700 -0.020 0.000 2.512 116 S HA 0.237 4.709 4.470 0.002 0.000 0.291 116 S C -1.701 172.892 174.600 -0.012 0.000 1.151 116 S CA -0.656 57.533 58.200 -0.019 0.000 1.120 116 S CB 0.070 63.256 63.200 -0.024 0.000 1.029 116 S HN 0.330 nan 8.310 nan 0.000 0.485 117 P HA 0.090 nan 4.420 nan 0.000 0.220 117 P C 0.815 178.113 177.300 -0.004 0.000 1.148 117 P CA 0.663 63.760 63.100 -0.006 0.000 0.803 117 P CB 0.222 31.919 31.700 -0.006 0.000 0.782 118 G N -2.245 106.552 108.800 -0.005 0.000 2.490 118 G HA2 0.422 4.383 3.960 0.002 0.000 0.308 118 G HA3 0.422 4.383 3.960 0.002 0.000 0.308 118 G C -3.218 171.679 174.900 -0.005 0.000 1.286 118 G CA -0.744 44.354 45.100 -0.002 0.000 0.825 118 G HN -0.305 nan 8.290 nan 0.000 0.479 119 P HA 0.331 nan 4.420 nan 0.000 0.281 119 P C -2.199 175.101 177.300 0.001 0.000 1.252 119 P CA -0.846 62.253 63.100 -0.001 0.000 0.778 119 P CB 0.714 32.418 31.700 0.006 0.000 0.895 120 P HA 0.233 nan 4.420 nan 0.000 0.275 120 P C -2.532 174.775 177.300 0.011 0.000 1.227 120 P CA -1.619 61.482 63.100 0.003 0.000 0.781 120 P CB -0.438 31.261 31.700 -0.002 0.000 0.906 121 P HA -0.150 nan 4.420 nan 0.000 0.255 121 P C 1.071 178.385 177.300 0.022 0.000 1.141 121 P CA 0.665 63.775 63.100 0.015 0.000 0.767 121 P CB -0.077 31.631 31.700 0.014 0.000 0.726 122 A N 4.940 127.774 122.820 0.024 0.000 1.997 122 A HA -0.267 4.054 4.320 0.002 0.000 0.221 122 A C 2.033 179.636 177.584 0.030 0.000 1.172 122 A CA 1.542 53.598 52.037 0.032 0.000 0.645 122 A CB -0.556 18.461 19.000 0.028 0.000 0.813 122 A HN 0.508 nan 8.150 nan 0.000 0.454 123 E N -0.597 119.617 120.200 0.023 0.000 2.072 123 E HA -0.221 4.130 4.350 0.002 0.000 0.191 123 E C 2.210 178.826 176.600 0.026 0.000 0.985 123 E CA 1.336 57.748 56.400 0.021 0.000 0.801 123 E CB -0.369 29.341 29.700 0.016 0.000 0.750 123 E HN 0.906 nan 8.360 nan 0.000 0.452 124 Q N 0.702 120.518 119.800 0.027 0.000 1.942 124 Q HA -0.188 4.153 4.340 0.002 0.000 0.203 124 Q C 2.426 178.453 176.000 0.046 0.000 0.987 124 Q CA 1.462 57.284 55.803 0.031 0.000 0.844 124 Q CB -0.320 28.433 28.738 0.024 0.000 0.911 124 Q HN 0.208 nan 8.270 nan 0.000 0.423 125 L N 1.030 122.285 121.223 0.053 0.000 2.043 125 L HA -0.219 4.123 4.340 0.002 0.000 0.212 125 L C 2.287 179.220 176.870 0.105 0.000 1.075 125 L CA 1.702 56.594 54.840 0.088 0.000 0.752 125 L CB -0.866 41.251 42.059 0.096 0.000 0.891 125 L HN 0.461 nan 8.230 nan 0.000 0.432 126 L N -1.330 119.933 121.223 0.067 0.000 2.012 126 L HA -0.269 4.072 4.340 0.002 0.000 0.210 126 L C 2.639 179.527 176.870 0.030 0.000 1.073 126 L CA 2.098 56.956 54.840 0.030 0.000 0.748 126 L CB -0.510 41.560 42.059 0.017 0.000 0.891 126 L HN 0.512 nan 8.230 nan 0.000 0.431 127 S N -0.900 114.824 115.700 0.041 0.000 2.355 127 S HA -0.240 4.231 4.470 0.002 0.000 0.222 127 S C 1.813 176.458 174.600 0.074 0.000 1.031 127 S CA 1.415 59.643 58.200 0.046 0.000 0.993 127 S CB -0.025 63.199 63.200 0.039 0.000 0.859 127 S HN 0.488 nan 8.310 nan 0.000 0.453 128 Q N 0.265 120.117 119.800 0.088 0.000 2.084 128 Q HA -0.055 4.286 4.340 0.002 0.000 0.202 128 Q C 2.477 178.585 176.000 0.180 0.000 0.978 128 Q CA 1.519 57.393 55.803 0.119 0.000 0.844 128 Q CB -0.367 28.431 28.738 0.101 0.000 0.898 128 Q HN 0.671 nan 8.270 nan 0.000 0.426 129 A N 1.208 124.127 122.820 0.166 0.000 1.902 129 A HA -0.193 4.128 4.320 0.002 0.000 0.217 129 A C 1.985 179.641 177.584 0.119 0.000 1.181 129 A CA 1.277 53.409 52.037 0.158 0.000 0.623 129 A CB -0.376 18.564 19.000 -0.101 0.000 0.818 129 A HN 0.214 nan 8.150 nan 0.000 0.443 130 R N -0.579 119.959 120.500 0.063 0.000 2.081 130 R HA -0.160 4.181 4.340 0.002 0.000 0.235 130 R C 2.008 178.378 176.300 0.116 0.000 1.131 130 R CA 1.617 57.754 56.100 0.061 0.000 0.960 130 R CB -0.488 29.829 30.300 0.028 0.000 0.856 130 R HN 0.694 nan 8.270 nan 0.000 0.436 131 D N 0.281 120.761 120.400 0.135 0.000 2.097 131 D HA -0.199 4.442 4.640 0.002 0.000 0.195 131 D C 1.668 178.088 176.300 0.200 0.000 0.989 131 D CA 0.923 55.011 54.000 0.148 0.000 0.827 131 D CB -0.079 40.804 40.800 0.138 0.000 0.966 131 D HN 0.113 nan 8.370 nan 0.000 0.456 132 F N 1.011 121.047 119.950 0.143 0.000 2.102 132 F HA -0.115 4.413 4.527 0.002 0.000 0.298 132 F C 1.976 177.927 175.800 0.252 0.000 1.105 132 F CA 1.140 59.261 58.000 0.201 0.000 1.239 132 F CB -0.328 38.791 39.000 0.199 0.000 0.991 132 F HN -0.016 nan 8.300 nan 0.000 0.474 133 I N 1.017 121.589 120.570 0.003 0.000 2.163 133 I HA -0.345 3.826 4.170 0.002 0.000 0.243 133 I C 2.116 178.259 176.117 0.044 0.000 1.085 133 I CA 1.395 62.699 61.300 0.007 0.000 1.347 133 I CB -1.686 36.432 38.000 0.196 0.000 1.044 133 I HN 0.259 nan 8.210 nan 0.000 0.408 134 N N 0.943 119.711 118.700 0.113 0.000 2.094 134 N HA -0.223 4.518 4.740 0.002 0.000 0.191 134 N C 1.849 177.318 175.510 -0.068 0.000 1.023 134 N CA 1.285 54.390 53.050 0.092 0.000 0.857 134 N CB -0.323 38.249 38.487 0.142 0.000 1.013 134 N HN 0.550 nan 8.380 nan 0.000 0.426 135 Q N -0.300 119.465 119.800 -0.057 0.000 2.020 135 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 135 Q C 1.915 177.710 176.000 -0.342 0.000 0.982 135 Q CA 1.367 57.144 55.803 -0.043 0.000 0.838 135 Q CB -0.333 28.518 28.738 0.187 0.000 0.899 135 Q HN 0.434 nan 8.270 nan 0.000 0.423 136 Y N 0.046 119.908 120.300 -0.729 0.000 2.151 136 Y HA -0.309 4.243 4.550 0.002 0.000 0.284 136 Y C 1.625 176.937 175.900 -0.979 0.000 1.166 136 Y CA 1.639 58.993 58.100 -1.242 0.000 1.163 136 Y CB -0.372 37.490 38.460 -0.998 0.000 0.974 136 Y HN 0.135 nan 8.280 nan 0.000 0.511 137 Y N -0.855 118.986 120.300 -0.765 0.000 2.337 137 Y HA -0.131 4.420 4.550 0.002 0.000 0.293 137 Y C 2.732 178.285 175.900 -0.579 0.000 1.123 137 Y CA 1.475 59.108 58.100 -0.779 0.000 1.201 137 Y CB -0.465 37.422 38.460 -0.955 0.000 1.011 137 Y HN 0.032 nan 8.280 nan 0.000 0.545 138 S N -0.729 114.768 115.700 -0.338 0.000 2.382 138 S HA -0.249 4.222 4.470 0.002 0.000 0.228 138 S C 2.257 176.688 174.600 -0.282 0.000 1.027 138 S CA 1.223 59.293 58.200 -0.217 0.000 0.991 138 S CB -0.630 62.494 63.200 -0.127 0.000 0.823 138 S HN 0.517 nan 8.310 nan 0.000 0.469 139 S N 2.413 117.843 115.700 -0.449 0.000 2.389 139 S HA -0.188 4.283 4.470 0.002 0.000 0.229 139 S C 1.653 176.003 174.600 -0.418 0.000 1.048 139 S CA 1.835 59.747 58.200 -0.480 0.000 1.117 139 S CB -0.658 61.930 63.200 -1.021 0.000 1.020 139 S HN 0.650 nan 8.310 nan 0.000 0.430 140 I N -1.815 118.391 120.570 -0.606 0.000 3.749 140 I HA 0.327 4.498 4.170 0.002 0.000 0.314 140 I C 0.573 176.523 176.117 -0.277 0.000 1.278 140 I CA 0.120 61.156 61.300 -0.440 0.000 1.158 140 I CB -0.596 37.054 38.000 -0.582 0.000 1.018 140 I HN 0.296 nan 8.210 nan 0.000 0.435 141 K N 0.063 120.324 120.400 -0.232 0.000 3.495 141 K HA -0.177 4.144 4.320 0.002 0.000 0.315 141 K C 0.455 177.001 176.600 -0.090 0.000 1.301 141 K CA 1.066 57.273 56.287 -0.134 0.000 0.985 141 K CB -1.221 31.220 32.500 -0.098 0.000 1.244 141 K HN 0.382 nan 8.250 nan 0.000 0.433 142 R N 1.154 121.601 120.500 -0.088 0.000 2.788 142 R HA 0.127 4.468 4.340 0.002 0.000 0.264 142 R C 0.245 176.584 176.300 0.065 0.000 1.267 142 R CA 0.020 56.131 56.100 0.018 0.000 1.213 142 R CB 0.320 30.673 30.300 0.089 0.000 1.256 142 R HN 0.146 nan 8.270 nan 0.000 0.556 143 S N -0.255 115.449 115.700 0.006 0.000 2.549 143 S HA 0.294 4.765 4.470 0.002 0.000 0.286 143 S C 1.404 176.080 174.600 0.128 0.000 1.314 143 S CA 1.035 59.267 58.200 0.052 0.000 1.062 143 S CB 0.426 63.631 63.200 0.007 0.000 0.865 143 S HN 0.744 nan 8.310 nan 0.000 0.498 144 G N 3.155 112.124 108.800 0.281 0.000 2.234 144 G HA2 -0.328 3.633 3.960 0.002 0.000 0.260 144 G HA3 -0.328 3.633 3.960 0.002 0.000 0.260 144 G C 0.481 175.383 174.900 0.003 0.000 0.987 144 G CA 0.733 45.872 45.100 0.064 0.000 0.625 144 G HN 1.563 nan 8.290 nan 0.000 0.532 145 S N -0.585 115.132 115.700 0.028 0.000 2.680 145 S HA 0.288 4.760 4.470 0.002 0.000 0.249 145 S C 1.414 175.986 174.600 -0.046 0.000 1.358 145 S CA 1.000 59.197 58.200 -0.004 0.000 0.963 145 S CB 0.577 63.791 63.200 0.024 0.000 0.984 145 S HN 0.661 nan 8.310 nan 0.000 0.584 146 Q N 0.019 119.798 119.800 -0.036 0.000 2.061 146 Q HA 0.031 4.372 4.340 0.002 0.000 0.195 146 Q C 2.398 178.358 176.000 -0.068 0.000 0.967 146 Q CA 0.916 56.689 55.803 -0.051 0.000 0.829 146 Q CB -0.814 27.909 28.738 -0.025 0.000 0.900 146 Q HN 0.880 nan 8.270 nan 0.000 0.450 147 A N 0.867 123.669 122.820 -0.030 0.000 1.927 147 A HA -0.308 4.013 4.320 0.002 0.000 0.220 147 A C 1.914 179.384 177.584 -0.189 0.000 1.185 147 A CA 2.027 54.059 52.037 -0.008 0.000 0.639 147 A CB -1.316 17.764 19.000 0.133 0.000 0.820 147 A HN 0.746 nan 8.150 nan 0.000 0.451 148 H N -1.332 117.356 119.070 -0.636 0.000 2.321 148 H HA -0.182 4.376 4.556 0.002 0.000 0.300 148 H C 2.235 177.253 175.328 -0.516 0.000 1.087 148 H CA 1.632 56.984 56.048 -1.160 0.000 1.319 148 H CB 0.113 29.299 29.762 -0.961 0.000 1.379 148 H HN 0.518 nan 8.280 nan 0.000 0.501 149 E N 0.911 120.913 120.200 -0.330 0.000 2.047 149 E HA -0.145 4.206 4.350 0.002 0.000 0.191 149 E C 2.078 178.580 176.600 -0.163 0.000 0.987 149 E CA 1.604 57.832 56.400 -0.286 0.000 0.799 149 E CB -0.094 29.479 29.700 -0.212 0.000 0.752 149 E HN 0.623 nan 8.360 nan 0.000 0.449 150 E N -0.288 119.846 120.200 -0.110 0.000 2.153 150 E HA -0.216 4.135 4.350 0.002 0.000 0.194 150 E C 2.112 178.697 176.600 -0.025 0.000 0.988 150 E CA 1.013 57.383 56.400 -0.051 0.000 0.811 150 E CB -0.106 29.581 29.700 -0.021 0.000 0.746 150 E HN -0.002 nan 8.360 nan 0.000 0.466 151 R N 1.344 121.829 120.500 -0.025 0.000 2.090 151 R HA -0.044 4.297 4.340 0.002 0.000 0.228 151 R C 2.059 178.371 176.300 0.021 0.000 1.110 151 R CA 0.982 57.112 56.100 0.050 0.000 0.973 151 R CB -0.554 29.841 30.300 0.158 0.000 0.869 151 R HN 0.141 nan 8.270 nan 0.000 0.440 152 L N 0.108 121.310 121.223 -0.035 0.000 1.994 152 L HA -0.166 4.175 4.340 0.002 0.000 0.208 152 L C 2.622 179.458 176.870 -0.058 0.000 1.071 152 L CA 1.826 56.632 54.840 -0.056 0.000 0.745 152 L CB -0.526 41.459 42.059 -0.123 0.000 0.892 152 L HN 0.252 nan 8.230 nan 0.000 0.431 153 Q N -0.195 119.570 119.800 -0.059 0.000 2.133 153 Q HA -0.287 4.054 4.340 0.002 0.000 0.208 153 Q C 2.127 178.116 176.000 -0.018 0.000 0.991 153 Q CA 2.048 57.827 55.803 -0.040 0.000 0.867 153 Q CB -0.032 28.684 28.738 -0.038 0.000 0.911 153 Q HN 0.419 nan 8.270 nan 0.000 0.417 154 E N -0.946 119.252 120.200 -0.003 0.000 2.021 154 E HA -0.224 4.127 4.350 0.002 0.000 0.200 154 E C 1.979 178.590 176.600 0.018 0.000 1.015 154 E CA 1.738 58.152 56.400 0.024 0.000 0.824 154 E CB -0.068 29.662 29.700 0.051 0.000 0.762 154 E HN 0.180 nan 8.360 nan 0.000 0.454 155 V N 1.630 121.529 119.914 -0.026 0.000 2.282 155 V HA -0.296 3.825 4.120 0.002 0.000 0.249 155 V C 2.097 178.134 176.094 -0.095 0.000 1.057 155 V CA 2.070 64.290 62.300 -0.132 0.000 1.032 155 V CB -0.572 31.047 31.823 -0.339 0.000 0.645 155 V HN 0.294 nan 8.190 nan 0.000 0.447 156 E N 0.175 120.334 120.200 -0.068 0.000 2.110 156 E HA -0.198 4.153 4.350 0.002 0.000 0.193 156 E C 2.340 178.940 176.600 0.000 0.000 0.988 156 E CA 1.282 57.660 56.400 -0.036 0.000 0.804 156 E CB -0.312 29.367 29.700 -0.034 0.000 0.745 156 E HN 0.632 nan 8.360 nan 0.000 0.458 157 A N 1.639 124.465 122.820 0.009 0.000 1.845 157 A HA -0.258 4.063 4.320 0.002 0.000 0.215 157 A C 2.076 179.693 177.584 0.054 0.000 1.195 157 A CA 1.663 53.717 52.037 0.028 0.000 0.616 157 A CB -0.543 18.474 19.000 0.028 0.000 0.832 157 A HN 0.208 nan 8.150 nan 0.000 0.443 158 E N -0.434 119.815 120.200 0.083 0.000 2.058 158 E HA -0.157 4.194 4.350 0.002 0.000 0.194 158 E C 1.986 178.665 176.600 0.132 0.000 0.997 158 E CA 1.597 58.077 56.400 0.132 0.000 0.801 158 E CB -0.174 29.658 29.700 0.220 0.000 0.746 158 E HN 0.329 nan 8.360 nan 0.000 0.450 159 V N 1.141 121.130 119.914 0.126 0.000 2.255 159 V HA -0.312 3.809 4.120 0.002 0.000 0.247 159 V C 2.425 178.562 176.094 0.073 0.000 1.051 159 V CA 1.933 64.302 62.300 0.115 0.000 1.018 159 V CB -0.941 30.937 31.823 0.092 0.000 0.641 159 V HN 0.442 nan 8.190 nan 0.000 0.445 160 A N -0.456 122.395 122.820 0.051 0.000 1.986 160 A HA -0.235 4.086 4.320 0.002 0.000 0.220 160 A C 2.417 180.025 177.584 0.040 0.000 1.171 160 A CA 2.585 54.644 52.037 0.037 0.000 0.640 160 A CB -0.529 18.486 19.000 0.026 0.000 0.811 160 A HN 0.555 nan 8.150 nan 0.000 0.451 161 S N -1.623 114.107 115.700 0.049 0.000 2.441 161 S HA -0.024 4.447 4.470 0.002 0.000 0.224 161 S C 1.933 176.564 174.600 0.053 0.000 1.043 161 S CA 1.338 59.566 58.200 0.047 0.000 0.948 161 S CB -0.042 63.187 63.200 0.048 0.000 0.810 161 S HN 0.879 nan 8.310 nan 0.000 0.504 162 T N -2.069 112.527 114.554 0.069 0.000 3.010 162 T HA 0.453 4.804 4.350 0.002 0.000 0.257 162 T C 1.420 176.157 174.700 0.062 0.000 1.020 162 T CA 0.837 62.980 62.100 0.071 0.000 0.938 162 T CB 0.465 69.392 68.868 0.099 0.000 1.049 162 T HN 0.525 nan 8.240 nan 0.000 0.522 163 G N 0.256 109.094 108.800 0.063 0.000 2.179 163 G HA2 -0.179 3.782 3.960 0.002 0.000 0.260 163 G HA3 -0.179 3.782 3.960 0.002 0.000 0.260 163 G C 0.180 175.114 174.900 0.057 0.000 0.977 163 G CA 0.542 45.673 45.100 0.052 0.000 0.641 163 G HN 1.109 nan 8.290 nan 0.000 0.533 164 T N -1.526 113.076 114.554 0.080 0.000 2.718 164 T HA 0.665 5.016 4.350 0.002 0.000 0.306 164 T C -0.990 173.802 174.700 0.152 0.000 1.485 164 T CA 0.364 62.501 62.100 0.061 0.000 0.997 164 T CB 1.416 70.236 68.868 -0.081 0.000 1.504 164 T HN 1.535 nan 8.240 nan 0.000 0.497 165 Y N -0.442 119.814 120.300 -0.073 0.000 2.896 165 Y HA 0.900 5.452 4.550 0.002 0.000 0.317 165 Y C -1.210 174.587 175.900 -0.171 0.000 1.444 165 Y CA -1.108 57.011 58.100 0.031 0.000 1.084 165 Y CB 0.840 39.344 38.460 0.073 0.000 1.382 165 Y HN 0.793 nan 8.280 nan 0.000 0.471 166 H N -0.235 118.875 119.070 0.067 0.000 2.894 166 H HA 0.703 5.260 4.556 0.002 0.000 0.368 166 H C -1.355 174.080 175.328 0.178 0.000 1.181 166 H CA -0.914 55.115 56.048 -0.033 0.000 1.146 166 H CB 1.937 31.719 29.762 0.033 0.000 1.839 166 H HN 0.704 nan 8.280 nan 0.000 0.557 167 L N 1.139 122.503 121.223 0.236 0.000 2.331 167 L HA 0.553 4.894 4.340 0.002 0.000 0.275 167 L C 0.244 177.208 176.870 0.157 0.000 1.022 167 L CA -0.856 54.130 54.840 0.243 0.000 0.812 167 L CB 1.314 43.487 42.059 0.191 0.000 1.257 167 L HN 0.343 nan 8.230 nan 0.000 0.435 168 R N 0.952 121.516 120.500 0.106 0.000 2.490 168 R HA 0.059 4.400 4.340 0.002 0.000 0.278 168 R C 0.953 177.250 176.300 -0.006 0.000 1.069 168 R CA -0.369 55.755 56.100 0.041 0.000 1.080 168 R CB 1.005 31.309 30.300 0.007 0.000 1.030 168 R HN 0.651 nan 8.270 nan 0.000 0.491 169 E N 1.247 121.443 120.200 -0.006 0.000 2.147 169 E HA -0.281 4.070 4.350 0.002 0.000 0.199 169 E C 1.506 178.083 176.600 -0.039 0.000 1.005 169 E CA 2.184 58.569 56.400 -0.026 0.000 0.810 169 E CB 0.152 29.842 29.700 -0.017 0.000 0.736 169 E HN 0.688 nan 8.360 nan 0.000 0.460 170 S N -0.183 115.487 115.700 -0.050 0.000 2.423 170 S HA -0.148 4.324 4.470 0.002 0.000 0.231 170 S C 1.643 176.170 174.600 -0.121 0.000 1.014 170 S CA 1.140 59.315 58.200 -0.043 0.000 0.965 170 S CB -0.152 63.043 63.200 -0.009 0.000 0.785 170 S HN 0.316 nan 8.310 nan 0.000 0.495 171 E N 0.844 120.883 120.200 -0.267 0.000 2.112 171 E HA 0.043 4.394 4.350 0.002 0.000 0.190 171 E C 2.008 178.701 176.600 0.155 0.000 0.979 171 E CA 0.850 57.125 56.400 -0.208 0.000 0.814 171 E CB -0.317 29.308 29.700 -0.126 0.000 0.762 171 E HN 0.419 nan 8.360 nan 0.000 0.460 172 L N 1.011 122.244 121.223 0.017 0.000 2.042 172 L HA -0.182 4.160 4.340 0.002 0.000 0.210 172 L C 2.220 179.056 176.870 -0.056 0.000 1.076 172 L CA 1.365 56.152 54.840 -0.089 0.000 0.749 172 L CB -0.210 41.749 42.059 -0.167 0.000 0.893 172 L HN -0.046 nan 8.230 nan 0.000 0.432 173 V N -0.619 119.297 119.914 0.003 0.000 2.407 173 V HA -0.296 3.825 4.120 0.002 0.000 0.248 173 V C 2.266 178.446 176.094 0.143 0.000 1.055 173 V CA 2.013 64.334 62.300 0.036 0.000 1.049 173 V CB -0.939 30.910 31.823 0.042 0.000 0.662 173 V HN 0.567 nan 8.190 nan 0.000 0.455 174 F N 2.084 122.101 119.950 0.112 0.000 2.146 174 F HA 0.065 4.593 4.527 0.002 0.000 0.298 174 F C 2.163 178.104 175.800 0.236 0.000 1.096 174 F CA 1.464 59.594 58.000 0.217 0.000 1.275 174 F CB -0.935 38.265 39.000 0.334 0.000 1.008 174 F HN 0.114 nan 8.300 nan 0.000 0.480 175 G N 0.081 108.903 108.800 0.036 0.000 2.421 175 G HA2 -0.246 3.716 3.960 0.002 0.000 0.216 175 G HA3 -0.246 3.716 3.960 0.002 0.000 0.216 175 G C 1.866 176.597 174.900 -0.282 0.000 1.171 175 G CA 0.998 45.982 45.100 -0.193 0.000 0.775 175 G HN 0.624 nan 8.290 nan 0.000 0.543 176 A N 0.689 123.385 122.820 -0.206 0.000 1.940 176 A HA -0.062 4.260 4.320 0.002 0.000 0.219 176 A C 2.313 179.891 177.584 -0.009 0.000 1.176 176 A CA 2.152 54.092 52.037 -0.162 0.000 0.631 176 A CB -0.373 18.573 19.000 -0.090 0.000 0.814 176 A HN 0.403 nan 8.150 nan 0.000 0.446 177 K N -0.989 119.443 120.400 0.053 0.000 2.057 177 K HA -0.101 4.221 4.320 0.002 0.000 0.206 177 K C 2.326 178.981 176.600 0.093 0.000 1.050 177 K CA 1.256 57.689 56.287 0.243 0.000 0.935 177 K CB -0.105 32.593 32.500 0.330 0.000 0.715 177 K HN 0.356 nan 8.250 nan 0.000 0.439 178 Q N 0.049 119.727 119.800 -0.202 0.000 2.167 178 Q HA -0.058 4.284 4.340 0.002 0.000 0.202 178 Q C 2.108 177.955 176.000 -0.255 0.000 0.970 178 Q CA 1.393 56.987 55.803 -0.348 0.000 0.855 178 Q CB -0.170 28.273 28.738 -0.492 0.000 0.911 178 Q HN 0.316 nan 8.270 nan 0.000 0.438 179 A N 0.056 122.722 122.820 -0.256 0.000 1.902 179 A HA -0.180 4.141 4.320 0.002 0.000 0.217 179 A C 1.814 179.406 177.584 0.013 0.000 1.181 179 A CA 1.344 53.167 52.037 -0.356 0.000 0.623 179 A CB -0.922 17.510 19.000 -0.947 0.000 0.818 179 A HN 0.523 nan 8.150 nan 0.000 0.443 180 W N 0.956 122.261 121.300 0.009 0.000 2.379 180 W HA -0.104 4.557 4.660 0.002 0.000 0.307 180 W C 2.339 178.813 176.519 -0.075 0.000 1.200 180 W CA 1.465 58.856 57.345 0.078 0.000 1.297 180 W CB -0.694 28.807 29.460 0.069 0.000 1.140 180 W HN 0.368 nan 8.180 nan 0.000 0.507 181 R N 0.366 120.779 120.500 -0.145 0.000 2.105 181 R HA -0.190 4.151 4.340 0.002 0.000 0.239 181 R C 1.595 177.727 176.300 -0.279 0.000 1.135 181 R CA 1.865 57.662 56.100 -0.505 0.000 0.967 181 R CB -0.542 29.146 30.300 -1.020 0.000 0.861 181 R HN 0.126 nan 8.270 nan 0.000 0.442 182 N N 0.404 118.995 118.700 -0.181 0.000 2.463 182 N HA 0.003 4.744 4.740 0.002 0.000 0.181 182 N C -0.143 175.317 175.510 -0.083 0.000 1.078 182 N CA 0.662 53.632 53.050 -0.134 0.000 0.902 182 N CB 0.247 38.656 38.487 -0.130 0.000 0.970 182 N HN 0.155 nan 8.380 nan 0.000 0.451 183 A N 2.531 125.348 122.820 -0.004 0.000 2.526 183 A HA 0.135 4.457 4.320 0.002 0.000 0.287 183 A C -1.196 176.356 177.584 -0.054 0.000 1.232 183 A CA -0.776 51.260 52.037 -0.001 0.000 0.900 183 A CB 0.068 19.118 19.000 0.083 0.000 1.077 183 A HN 0.041 nan 8.150 nan 0.000 0.535 184 P HA -0.123 nan 4.420 nan 0.000 0.219 184 P C 1.092 178.319 177.300 -0.122 0.000 1.146 184 P CA 1.151 64.177 63.100 -0.123 0.000 0.808 184 P CB 0.154 31.750 31.700 -0.173 0.000 0.779 185 R N -2.216 118.174 120.500 -0.185 0.000 2.317 185 R HA 0.153 4.494 4.340 0.002 0.000 0.208 185 R C 0.190 176.475 176.300 -0.024 0.000 0.914 185 R CA -0.177 55.826 56.100 -0.161 0.000 1.060 185 R CB -0.367 29.616 30.300 -0.528 0.000 1.015 185 R HN 0.174 nan 8.270 nan 0.000 0.498 186 C N 0.433 119.705 119.300 -0.047 0.000 2.325 186 C HA 0.218 4.679 4.460 0.002 0.000 0.347 186 C C 1.863 176.781 174.990 -0.119 0.000 1.263 186 C CA -0.652 58.362 59.018 -0.007 0.000 1.806 186 C CB 0.603 28.408 27.740 0.109 0.000 2.405 186 C HN 0.289 nan 8.230 nan 0.000 0.537 187 V N 5.995 125.806 119.914 -0.173 0.000 3.406 187 V HA 0.225 4.346 4.120 0.002 0.000 0.263 187 V C 1.762 177.837 176.094 -0.031 0.000 1.172 187 V CA 2.002 64.093 62.300 -0.348 0.000 1.140 187 V CB -0.072 31.583 31.823 -0.280 0.000 0.784 187 V HN 1.073 nan 8.190 nan 0.000 0.467 188 G N -0.615 108.212 108.800 0.045 0.000 3.371 188 G HA2 0.044 4.006 3.960 0.002 0.000 0.248 188 G HA3 0.044 4.006 3.960 0.002 0.000 0.248 188 G C 1.222 176.160 174.900 0.063 0.000 1.161 188 G CA -0.335 44.818 45.100 0.088 0.000 0.796 188 G HN 0.427 nan 8.290 nan 0.000 0.539 189 R N -0.148 120.305 120.500 -0.077 0.000 2.341 189 R HA 0.090 4.432 4.340 0.002 0.000 0.213 189 R C 1.929 177.798 176.300 -0.718 0.000 1.082 189 R CA 0.227 55.987 56.100 -0.566 0.000 1.017 189 R CB -0.148 29.794 30.300 -0.596 0.000 0.860 189 R HN 0.446 nan 8.270 nan 0.000 0.473 190 I N 0.740 121.085 120.570 -0.374 0.000 2.830 190 I HA -0.205 3.966 4.170 0.002 0.000 0.263 190 I C 1.161 177.203 176.117 -0.124 0.000 1.230 190 I CA 1.129 62.367 61.300 -0.102 0.000 1.480 190 I CB 0.172 38.213 38.000 0.067 0.000 1.095 190 I HN 0.195 nan 8.210 nan 0.000 0.455 191 Q N 0.554 120.212 119.800 -0.237 0.000 2.320 191 Q HA -0.087 4.255 4.340 0.002 0.000 0.201 191 Q C 1.585 177.199 176.000 -0.644 0.000 0.910 191 Q CA 0.195 55.862 55.803 -0.226 0.000 0.946 191 Q CB -0.145 28.619 28.738 0.044 0.000 1.062 191 Q HN 0.768 nan 8.270 nan 0.000 0.503 192 W N 0.032 120.619 121.300 -1.188 0.000 2.313 192 W HA -0.154 4.508 4.660 0.002 0.000 0.293 192 W C 1.105 177.344 176.519 -0.467 0.000 1.216 192 W CA 1.257 57.771 57.345 -1.384 0.000 1.223 192 W CB -1.133 27.716 29.460 -1.019 0.000 1.138 192 W HN 0.076 nan 8.180 nan 0.000 0.535 193 G N 1.143 109.328 108.800 -1.024 0.000 2.511 193 G HA2 -0.183 3.779 3.960 0.002 0.000 0.217 193 G HA3 -0.183 3.779 3.960 0.002 0.000 0.217 193 G C 0.809 175.524 174.900 -0.307 0.000 1.133 193 G CA 0.069 44.640 45.100 -0.881 0.000 0.792 193 G HN 0.227 nan 8.290 nan 0.000 0.539 194 K N 0.321 120.632 120.400 -0.148 0.000 2.257 194 K HA 0.493 4.814 4.320 0.002 0.000 0.270 194 K C -1.656 175.056 176.600 0.188 0.000 1.098 194 K CA -0.627 55.674 56.287 0.024 0.000 0.943 194 K CB 0.346 32.882 32.500 0.060 0.000 1.316 194 K HN 0.079 nan 8.250 nan 0.000 0.447 195 L N 3.550 124.860 121.223 0.144 0.000 2.476 195 L HA 0.275 4.616 4.340 0.002 0.000 0.269 195 L C -1.361 175.504 176.870 -0.008 0.000 0.965 195 L CA -0.410 54.522 54.840 0.154 0.000 0.845 195 L CB 1.929 44.151 42.059 0.272 0.000 1.259 195 L HN 0.476 nan 8.230 nan 0.000 0.403 196 Q N 3.716 123.458 119.800 -0.097 0.000 2.344 196 Q HA 0.423 4.764 4.340 0.002 0.000 0.253 196 Q C -1.470 174.199 176.000 -0.551 0.000 1.050 196 Q CA -0.058 55.521 55.803 -0.374 0.000 0.912 196 Q CB 0.879 29.317 28.738 -0.499 0.000 1.258 196 Q HN 0.509 nan 8.270 nan 0.000 0.443 197 V N 6.723 126.362 119.914 -0.459 0.000 2.304 197 V HA 0.273 4.394 4.120 0.002 0.000 0.262 197 V C -0.452 175.385 176.094 -0.427 0.000 1.061 197 V CA -0.487 61.596 62.300 -0.360 0.000 0.872 197 V CB -0.639 31.071 31.823 -0.188 0.000 1.077 197 V HN 0.604 nan 8.190 nan 0.000 0.480 198 F N 2.668 122.497 119.950 -0.201 0.000 2.472 198 F HA 0.279 4.807 4.527 0.002 0.000 0.364 198 F C 0.763 176.417 175.800 -0.244 0.000 1.090 198 F CA -0.574 57.306 58.000 -0.201 0.000 1.188 198 F CB 0.434 39.322 39.000 -0.188 0.000 1.105 198 F HN 0.392 nan 8.300 nan 0.000 0.536 199 D N 3.146 123.524 120.400 -0.037 0.000 2.316 199 D HA 0.413 5.054 4.640 0.002 0.000 0.245 199 D C -0.002 176.152 176.300 -0.244 0.000 1.171 199 D CA -0.050 53.866 54.000 -0.141 0.000 0.856 199 D CB 1.214 41.966 40.800 -0.079 0.000 1.090 199 D HN 0.609 nan 8.370 nan 0.000 0.476 200 A N 4.542 127.063 122.820 -0.499 0.000 2.631 200 A HA 0.174 4.495 4.320 0.002 0.000 0.294 200 A C 1.453 178.790 177.584 -0.410 0.000 1.156 200 A CA -0.401 51.114 52.037 -0.870 0.000 0.963 200 A CB 0.069 18.024 19.000 -1.742 0.000 1.202 200 A HN 0.566 nan 8.150 nan 0.000 0.523 201 R N 0.200 120.580 120.500 -0.201 0.000 2.316 201 R HA -0.056 4.285 4.340 0.002 0.000 0.202 201 R C 0.105 176.381 176.300 -0.040 0.000 1.029 201 R CA 0.986 57.037 56.100 -0.082 0.000 1.018 201 R CB -0.008 30.299 30.300 0.011 0.000 0.888 201 R HN 0.508 nan 8.270 nan 0.000 0.471 202 D N 0.220 120.615 120.400 -0.009 0.000 3.110 202 D HA 0.043 4.684 4.640 0.002 0.000 0.254 202 D C -1.365 175.037 176.300 0.169 0.000 1.283 202 D CA -0.323 53.727 54.000 0.084 0.000 0.944 202 D CB -0.011 40.860 40.800 0.118 0.000 1.066 202 D HN -0.006 nan 8.370 nan 0.000 0.496 203 C N 1.507 120.870 119.300 0.105 0.000 2.397 203 C HA 0.576 5.037 4.460 0.002 0.000 0.325 203 C C 1.133 176.258 174.990 0.225 0.000 1.201 203 C CA -0.176 58.964 59.018 0.203 0.000 1.377 203 C CB 0.664 28.513 27.740 0.183 0.000 2.038 203 C HN 0.554 nan 8.230 nan 0.000 0.457 204 S N 2.394 118.272 115.700 0.298 0.000 2.526 204 S HA 0.287 4.758 4.470 0.002 0.000 0.220 204 S C 0.307 175.093 174.600 0.310 0.000 1.017 204 S CA 0.345 58.747 58.200 0.337 0.000 0.930 204 S CB -0.033 63.290 63.200 0.206 0.000 0.856 204 S HN 1.224 nan 8.310 nan 0.000 0.497 205 S N -0.341 115.533 115.700 0.289 0.000 2.618 205 S HA 0.829 5.300 4.470 0.002 0.000 0.277 205 S C 0.792 175.504 174.600 0.187 0.000 1.138 205 S CA -0.312 58.004 58.200 0.194 0.000 0.844 205 S CB 1.204 64.492 63.200 0.146 0.000 1.127 205 S HN 0.397 nan 8.310 nan 0.000 0.474 206 A N 0.675 123.579 122.820 0.140 0.000 1.969 206 A HA -0.041 4.280 4.320 0.002 0.000 0.218 206 A C 2.097 179.721 177.584 0.067 0.000 1.169 206 A CA 1.959 54.074 52.037 0.130 0.000 0.635 206 A CB -1.149 17.988 19.000 0.228 0.000 0.810 206 A HN 0.916 nan 8.150 nan 0.000 0.445 207 Q N 0.396 120.316 119.800 0.200 0.000 2.135 207 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 207 Q C 1.712 177.738 176.000 0.042 0.000 0.981 207 Q CA 2.354 58.258 55.803 0.170 0.000 0.856 207 Q CB -0.331 28.541 28.738 0.223 0.000 0.902 207 Q HN 0.758 nan 8.270 nan 0.000 0.425 208 E N -0.711 119.541 120.200 0.088 0.000 2.072 208 E HA -0.112 4.239 4.350 0.002 0.000 0.190 208 E C 2.039 178.749 176.600 0.184 0.000 0.982 208 E CA 1.276 57.744 56.400 0.113 0.000 0.803 208 E CB -0.119 29.706 29.700 0.208 0.000 0.755 208 E HN 0.458 nan 8.360 nan 0.000 0.453 209 M N 0.177 119.861 119.600 0.141 0.000 2.108 209 M HA -0.174 4.307 4.480 0.002 0.000 0.261 209 M C 2.235 178.579 176.300 0.074 0.000 1.066 209 M CA 1.512 56.868 55.300 0.094 0.000 1.107 209 M CB -0.478 31.930 32.600 -0.320 0.000 1.356 209 M HN 0.136 nan 8.290 nan 0.000 0.406 210 F N 1.105 120.839 119.950 -0.360 0.000 2.120 210 F HA -0.266 4.262 4.527 0.002 0.000 0.300 210 F C 2.285 177.965 175.800 -0.200 0.000 1.095 210 F CA 1.803 59.520 58.000 -0.472 0.000 1.249 210 F CB -0.151 38.206 39.000 -1.072 0.000 0.995 210 F HN 0.034 nan 8.300 nan 0.000 0.480 211 T N -0.354 113.975 114.554 -0.375 0.000 2.737 211 T HA -0.202 4.150 4.350 0.002 0.000 0.265 211 T C 1.533 176.051 174.700 -0.303 0.000 1.038 211 T CA 1.778 63.617 62.100 -0.435 0.000 1.144 211 T CB -0.704 67.981 68.868 -0.305 0.000 0.866 211 T HN 0.356 nan 8.240 nan 0.000 0.434 212 Y N 1.095 121.324 120.300 -0.119 0.000 2.081 212 Y HA -0.137 4.414 4.550 0.002 0.000 0.280 212 Y C 2.360 178.183 175.900 -0.128 0.000 1.163 212 Y CA 1.117 59.161 58.100 -0.093 0.000 1.135 212 Y CB -0.364 38.144 38.460 0.080 0.000 0.970 212 Y HN 0.148 nan 8.280 nan 0.000 0.498 213 I N -1.373 119.279 120.570 0.136 0.000 2.335 213 I HA -0.389 3.782 4.170 0.002 0.000 0.251 213 I C 2.243 178.295 176.117 -0.109 0.000 1.129 213 I CA 1.010 62.322 61.300 0.021 0.000 1.402 213 I CB -0.457 37.571 38.000 0.046 0.000 1.069 213 I HN 0.391 nan 8.210 nan 0.000 0.424 214 C N 0.519 119.656 119.300 -0.272 0.000 2.450 214 C HA -0.077 4.385 4.460 0.002 0.000 0.279 214 C C 2.575 177.457 174.990 -0.180 0.000 1.335 214 C CA 0.563 59.404 59.018 -0.295 0.000 1.749 214 C CB -1.302 26.113 27.740 -0.542 0.000 1.963 214 C HN 0.547 nan 8.230 nan 0.000 0.501 215 N N 0.203 118.780 118.700 -0.206 0.000 2.106 215 N HA -0.129 4.612 4.740 0.002 0.000 0.188 215 N C 1.442 176.829 175.510 -0.205 0.000 1.029 215 N CA 1.443 54.359 53.050 -0.224 0.000 0.848 215 N CB -0.868 37.421 38.487 -0.330 0.000 1.007 215 N HN 0.733 nan 8.380 nan 0.000 0.423 216 H N 0.780 119.630 119.070 -0.366 0.000 2.265 216 H HA -0.013 4.545 4.556 0.002 0.000 0.295 216 H C 2.170 177.508 175.328 0.016 0.000 1.084 216 H CA 1.817 57.721 56.048 -0.239 0.000 1.261 216 H CB -0.140 29.542 29.762 -0.132 0.000 1.360 216 H HN 0.080 nan 8.280 nan 0.000 0.487 217 I N 0.526 121.243 120.570 0.245 0.000 2.163 217 I HA -0.296 3.875 4.170 0.002 0.000 0.243 217 I C 2.704 178.907 176.117 0.142 0.000 1.085 217 I CA 1.596 63.008 61.300 0.186 0.000 1.347 217 I CB -0.307 37.727 38.000 0.057 0.000 1.044 217 I HN 0.334 nan 8.210 nan 0.000 0.408 218 K N 0.023 120.471 120.400 0.080 0.000 2.057 218 K HA -0.256 4.065 4.320 0.002 0.000 0.207 218 K C 2.310 178.973 176.600 0.105 0.000 1.049 218 K CA 1.757 58.081 56.287 0.062 0.000 0.931 218 K CB -0.220 32.290 32.500 0.018 0.000 0.714 218 K HN 0.261 nan 8.250 nan 0.000 0.440 219 Y N 0.514 120.828 120.300 0.024 0.000 2.153 219 Y HA -0.099 4.452 4.550 0.002 0.000 0.289 219 Y C 1.962 177.925 175.900 0.106 0.000 1.127 219 Y CA 1.421 59.568 58.100 0.079 0.000 1.131 219 Y CB -0.485 38.069 38.460 0.158 0.000 0.995 219 Y HN 0.090 nan 8.280 nan 0.000 0.505 220 A N -0.286 122.720 122.820 0.311 0.000 1.908 220 A HA -0.218 4.104 4.320 0.002 0.000 0.218 220 A C 2.197 179.842 177.584 0.101 0.000 1.181 220 A CA 2.514 54.683 52.037 0.220 0.000 0.627 220 A CB -1.417 17.768 19.000 0.308 0.000 0.818 220 A HN 0.546 nan 8.150 nan 0.000 0.445 221 T N -0.619 113.999 114.554 0.106 0.000 2.708 221 T HA -0.133 4.218 4.350 0.002 0.000 0.266 221 T C 1.036 175.745 174.700 0.014 0.000 1.037 221 T CA 1.093 63.243 62.100 0.082 0.000 1.146 221 T CB -0.556 68.363 68.868 0.086 0.000 0.865 221 T HN 0.761 nan 8.240 nan 0.000 0.435 222 N N 0.752 119.428 118.700 -0.040 0.000 2.714 222 N HA -0.278 4.463 4.740 0.002 0.000 0.252 222 N C -0.666 174.819 175.510 -0.041 0.000 1.014 222 N CA 0.099 53.100 53.050 -0.082 0.000 0.735 222 N CB -0.560 37.834 38.487 -0.155 0.000 0.924 222 N HN 0.390 nan 8.380 nan 0.000 0.540 223 R N -2.121 118.369 120.500 -0.016 0.000 3.627 223 R HA -0.247 4.094 4.340 0.002 0.000 0.281 223 R C 1.270 177.561 176.300 -0.015 0.000 1.140 223 R CA 1.141 57.233 56.100 -0.013 0.000 0.761 223 R CB -2.070 28.218 30.300 -0.021 0.000 1.181 223 R HN 0.818 nan 8.270 nan 0.000 0.472 224 G N -0.408 108.393 108.800 0.001 0.000 2.284 224 G HA2 -0.364 3.597 3.960 0.002 0.000 0.216 224 G HA3 -0.364 3.597 3.960 0.002 0.000 0.216 224 G C 0.044 174.940 174.900 -0.007 0.000 1.009 224 G CA 0.086 45.189 45.100 0.005 0.000 0.625 224 G HN 0.502 nan 8.290 nan 0.000 0.501 225 N N 1.180 119.860 118.700 -0.034 0.000 3.188 225 N HA 0.458 5.199 4.740 0.002 0.000 0.279 225 N C 0.305 175.784 175.510 -0.050 0.000 1.213 225 N CA -0.679 52.333 53.050 -0.065 0.000 1.138 225 N CB -0.149 38.295 38.487 -0.072 0.000 1.417 225 N HN 0.209 nan 8.380 nan 0.000 0.526 226 L N 2.101 123.320 121.223 -0.006 0.000 2.543 226 L HA 0.003 4.344 4.340 0.002 0.000 0.285 226 L C 0.586 177.554 176.870 0.164 0.000 1.236 226 L CA 1.140 56.043 54.840 0.104 0.000 0.871 226 L CB 0.242 42.448 42.059 0.244 0.000 1.121 226 L HN 0.385 nan 8.230 nan 0.000 0.501 227 R N 1.504 122.115 120.500 0.184 0.000 2.575 227 R HA 0.440 4.781 4.340 0.002 0.000 0.293 227 R C -0.698 175.770 176.300 0.280 0.000 0.983 227 R CA -0.698 55.536 56.100 0.225 0.000 0.887 227 R CB 1.698 31.998 30.300 0.000 0.000 1.184 227 R HN 0.580 nan 8.270 nan 0.000 0.445 228 S N 1.470 117.339 115.700 0.283 0.000 2.549 228 S HA 0.466 4.937 4.470 0.002 0.000 0.283 228 S C -0.185 174.467 174.600 0.086 0.000 1.320 228 S CA -0.245 58.019 58.200 0.107 0.000 1.058 228 S CB 1.195 64.399 63.200 0.007 0.000 0.882 228 S HN 0.712 nan 8.310 nan 0.000 0.498 229 A N 2.529 125.353 122.820 0.007 0.000 2.612 229 A HA 0.800 5.122 4.320 0.002 0.000 0.293 229 A C -1.295 176.303 177.584 0.024 0.000 1.075 229 A CA -0.664 51.324 52.037 -0.083 0.000 0.680 229 A CB 1.159 20.052 19.000 -0.179 0.000 1.279 229 A HN 0.798 nan 8.150 nan 0.000 0.411 230 I N 0.436 121.030 120.570 0.040 0.000 2.686 230 I HA 0.661 4.832 4.170 0.002 0.000 0.295 230 I C -1.133 175.097 176.117 0.188 0.000 1.114 230 I CA -0.199 61.235 61.300 0.224 0.000 1.038 230 I CB 2.446 40.538 38.000 0.153 0.000 1.238 230 I HN 0.606 nan 8.210 nan 0.000 0.420 231 T N 6.204 120.883 114.554 0.209 0.000 2.791 231 T HA 0.439 4.790 4.350 0.002 0.000 0.288 231 T C -0.744 173.773 174.700 -0.305 0.000 0.999 231 T CA -0.344 61.727 62.100 -0.049 0.000 0.952 231 T CB 1.440 70.236 68.868 -0.120 0.000 0.938 231 T HN 0.255 nan 8.240 nan 0.000 0.444 232 V N 5.078 124.764 119.914 -0.380 0.000 2.370 232 V HA 0.507 4.628 4.120 0.002 0.000 0.279 232 V C -0.426 175.412 176.094 -0.427 0.000 1.029 232 V CA -0.748 61.347 62.300 -0.342 0.000 0.870 232 V CB 0.225 31.805 31.823 -0.406 0.000 0.984 232 V HN 0.701 nan 8.190 nan 0.000 0.451 233 F N 4.829 124.720 119.950 -0.098 0.000 2.410 233 F HA 0.537 5.065 4.527 0.002 0.000 0.324 233 F C -1.870 173.851 175.800 -0.133 0.000 1.093 233 F CA -2.565 55.307 58.000 -0.213 0.000 1.028 233 F CB 0.405 39.287 39.000 -0.198 0.000 1.309 233 F HN 0.296 nan 8.300 nan 0.000 0.499 234 P HA -0.072 nan 4.420 nan 0.000 0.259 234 P C -0.906 176.384 177.300 -0.016 0.000 1.163 234 P CA 0.186 63.176 63.100 -0.184 0.000 0.760 234 P CB 0.071 31.384 31.700 -0.644 0.000 0.762 235 Q N 4.073 123.820 119.800 -0.088 0.000 2.524 235 Q HA 0.110 4.451 4.340 0.002 0.000 0.246 235 Q C -0.162 175.713 176.000 -0.208 0.000 1.063 235 Q CA -0.265 55.251 55.803 -0.478 0.000 0.945 235 Q CB 0.553 28.763 28.738 -0.880 0.000 1.292 235 Q HN 0.362 nan 8.270 nan 0.000 0.518 236 R N 0.106 120.466 120.500 -0.233 0.000 2.590 236 R HA 0.398 4.739 4.340 0.002 0.000 0.274 236 R C -0.672 175.570 176.300 -0.097 0.000 1.061 236 R CA 0.184 56.231 56.100 -0.089 0.000 1.081 236 R CB 0.579 30.823 30.300 -0.094 0.000 0.984 236 R HN 0.707 nan 8.270 nan 0.000 0.448 237 A N 4.645 127.452 122.820 -0.022 0.000 2.319 237 A HA 0.436 4.758 4.320 0.002 0.000 0.310 237 A C -2.250 175.327 177.584 -0.013 0.000 1.152 237 A CA -1.952 50.074 52.037 -0.019 0.000 0.783 237 A CB 0.967 19.985 19.000 0.031 0.000 1.184 237 A HN 0.473 nan 8.150 nan 0.000 0.474 238 P HA 0.144 nan 4.420 nan 0.000 0.265 238 P C 0.850 178.150 177.300 -0.000 0.000 1.193 238 P CA 1.650 64.741 63.100 -0.014 0.000 0.765 238 P CB 0.740 32.431 31.700 -0.016 0.000 0.823 239 G N 1.578 110.379 108.800 0.001 0.000 2.198 239 G HA2 -0.258 3.703 3.960 0.002 0.000 0.260 239 G HA3 -0.258 3.703 3.960 0.002 0.000 0.260 239 G C 0.149 175.055 174.900 0.009 0.000 1.025 239 G CA 0.266 45.370 45.100 0.006 0.000 0.769 239 G HN 0.884 nan 8.290 nan 0.000 0.507 240 R N -0.740 119.765 120.500 0.009 0.000 2.739 240 R HA 0.577 4.918 4.340 0.002 0.000 0.271 240 R C 1.021 177.324 176.300 0.005 0.000 1.010 240 R CA -0.117 55.989 56.100 0.010 0.000 0.897 240 R CB 0.629 30.943 30.300 0.023 0.000 1.236 240 R HN 0.489 nan 8.270 nan 0.000 0.466 241 G N 0.630 109.424 108.800 -0.009 0.000 2.466 241 G HA2 0.092 4.053 3.960 0.002 0.000 0.279 241 G HA3 0.092 4.053 3.960 0.002 0.000 0.279 241 G C -0.885 174.016 174.900 0.001 0.000 1.410 241 G CA 0.014 45.106 45.100 -0.012 0.000 1.065 241 G HN 0.564 nan 8.290 nan 0.000 0.547 242 D N -1.410 118.995 120.400 0.009 0.000 2.879 242 D HA 0.398 5.039 4.640 0.002 0.000 0.236 242 D C -0.661 175.686 176.300 0.079 0.000 1.171 242 D CA -0.379 53.667 54.000 0.077 0.000 0.868 242 D CB 1.429 42.280 40.800 0.085 0.000 1.598 242 D HN 0.086 nan 8.370 nan 0.000 0.497 243 F N 1.819 121.794 119.950 0.041 0.000 2.529 243 F HA 0.314 4.842 4.527 0.002 0.000 0.365 243 F C 1.173 177.002 175.800 0.047 0.000 1.102 243 F CA 0.345 58.353 58.000 0.015 0.000 1.271 243 F CB 0.493 39.478 39.000 -0.025 0.000 1.120 243 F HN -0.125 nan 8.300 nan 0.000 0.579 244 R N 3.151 123.778 120.500 0.211 0.000 2.643 244 R HA 0.486 4.827 4.340 0.002 0.000 0.269 244 R C -1.371 175.081 176.300 0.254 0.000 1.037 244 R CA -0.832 55.410 56.100 0.237 0.000 0.894 244 R CB 2.074 32.546 30.300 0.286 0.000 1.238 244 R HN 0.605 nan 8.270 nan 0.000 0.459 245 I N 2.082 122.794 120.570 0.238 0.000 2.354 245 I HA 0.163 4.334 4.170 0.002 0.000 0.286 245 I C 0.499 176.823 176.117 0.344 0.000 1.007 245 I CA -0.441 60.994 61.300 0.224 0.000 1.167 245 I CB 1.142 39.222 38.000 0.134 0.000 1.320 245 I HN 0.535 nan 8.210 nan 0.000 0.458 246 W N 3.639 124.990 121.300 0.085 0.000 2.363 246 W HA -0.110 4.551 4.660 0.002 0.000 0.296 246 W C 1.074 177.692 176.519 0.165 0.000 1.212 246 W CA 0.247 57.704 57.345 0.186 0.000 1.260 246 W CB -0.818 28.705 29.460 0.105 0.000 1.131 246 W HN 0.412 nan 8.180 nan 0.000 0.530 247 N N -0.007 118.852 118.700 0.266 0.000 2.416 247 N HA -0.016 4.725 4.740 0.002 0.000 0.246 247 N C 1.347 176.928 175.510 0.118 0.000 1.260 247 N CA 0.986 54.114 53.050 0.131 0.000 0.897 247 N CB 0.555 39.059 38.487 0.029 0.000 1.110 247 N HN -0.083 nan 8.380 nan 0.000 0.439 248 S N 0.177 115.933 115.700 0.092 0.000 2.425 248 S HA 0.007 4.479 4.470 0.002 0.000 0.225 248 S C 0.360 174.969 174.600 0.015 0.000 1.024 248 S CA 0.550 58.797 58.200 0.078 0.000 0.951 248 S CB 0.122 63.383 63.200 0.102 0.000 0.796 248 S HN 0.624 nan 8.310 nan 0.000 0.498 249 Q N -0.657 119.135 119.800 -0.013 0.000 2.451 249 Q HA 0.514 4.855 4.340 0.002 0.000 0.281 249 Q C 0.198 176.135 176.000 -0.105 0.000 1.099 249 Q CA -0.568 55.193 55.803 -0.069 0.000 0.806 249 Q CB 1.955 30.688 28.738 -0.009 0.000 1.419 249 Q HN 0.124 nan 8.270 nan 0.000 0.427 250 L N 0.081 121.222 121.223 -0.138 0.000 2.201 250 L HA 0.031 4.372 4.340 0.002 0.000 0.212 250 L C 0.271 177.030 176.870 -0.185 0.000 1.105 250 L CA 0.788 55.547 54.840 -0.136 0.000 0.775 250 L CB 0.224 42.193 42.059 -0.150 0.000 0.913 250 L HN 0.238 nan 8.230 nan 0.000 0.440 251 V N 0.540 120.282 119.914 -0.286 0.000 2.482 251 V HA 0.461 4.582 4.120 0.002 0.000 0.295 251 V C -0.426 175.124 176.094 -0.907 0.000 1.026 251 V CA -0.619 61.341 62.300 -0.566 0.000 0.856 251 V CB 1.812 33.245 31.823 -0.650 0.000 1.001 251 V HN 0.201 nan 8.190 nan 0.000 0.424 252 R N 2.937 123.009 120.500 -0.713 0.000 2.643 252 R HA 0.495 4.836 4.340 0.002 0.000 0.269 252 R C -1.866 174.194 176.300 -0.401 0.000 1.037 252 R CA -0.939 54.818 56.100 -0.572 0.000 0.894 252 R CB 2.448 32.639 30.300 -0.181 0.000 1.238 252 R HN 0.549 nan 8.270 nan 0.000 0.459 253 Y N 0.956 121.176 120.300 -0.133 0.000 2.335 253 Y HA 0.307 4.858 4.550 0.002 0.000 0.331 253 Y C 1.036 176.882 175.900 -0.091 0.000 1.094 253 Y CA -0.509 57.552 58.100 -0.065 0.000 1.253 253 Y CB 0.696 39.197 38.460 0.068 0.000 1.203 253 Y HN 0.670 nan 8.280 nan 0.000 0.508 254 A N 2.193 125.016 122.820 0.005 0.000 2.466 254 A HA 0.510 4.831 4.320 0.002 0.000 0.238 254 A C 0.712 178.046 177.584 -0.418 0.000 1.074 254 A CA 0.316 52.212 52.037 -0.235 0.000 0.774 254 A CB -0.226 18.601 19.000 -0.288 0.000 1.015 254 A HN 0.952 nan 8.150 nan 0.000 0.498 255 G N 0.296 108.840 108.800 -0.426 0.000 2.644 255 G HA2 0.551 4.513 3.960 0.002 0.000 0.300 255 G HA3 0.551 4.513 3.960 0.002 0.000 0.300 255 G C -1.072 173.642 174.900 -0.309 0.000 1.395 255 G CA -0.293 44.601 45.100 -0.343 0.000 0.964 255 G HN 0.562 nan 8.290 nan 0.000 0.511 256 Y N 1.555 121.862 120.300 0.013 0.000 2.342 256 Y HA 0.426 4.977 4.550 0.002 0.000 0.338 256 Y C 0.898 176.794 175.900 -0.006 0.000 0.965 256 Y CA -1.050 57.059 58.100 0.014 0.000 1.159 256 Y CB 1.741 40.206 38.460 0.008 0.000 1.157 256 Y HN 0.428 nan 8.280 nan 0.000 0.486 257 R N 3.854 124.441 120.500 0.144 0.000 2.248 257 R HA 0.145 4.486 4.340 0.002 0.000 0.337 257 R C -0.805 175.534 176.300 0.066 0.000 1.085 257 R CA -0.146 56.000 56.100 0.077 0.000 0.934 257 R CB 0.318 30.652 30.300 0.056 0.000 1.034 257 R HN 0.742 nan 8.270 nan 0.000 0.465 258 Q N 3.701 123.531 119.800 0.049 0.000 2.274 258 Q HA -0.012 4.329 4.340 0.002 0.000 0.256 258 Q C 0.838 176.847 176.000 0.014 0.000 0.927 258 Q CA -0.458 55.361 55.803 0.026 0.000 0.939 258 Q CB 1.850 30.599 28.738 0.019 0.000 1.201 258 Q HN 0.709 nan 8.270 nan 0.000 0.426 259 Q N 2.411 122.215 119.800 0.007 0.000 2.377 259 Q HA -0.420 3.921 4.340 0.002 0.000 0.225 259 Q C 0.186 176.189 176.000 0.006 0.000 1.097 259 Q CA 2.636 58.441 55.803 0.004 0.000 0.985 259 Q CB -1.103 27.633 28.738 -0.003 0.000 1.071 259 Q HN 0.739 nan 8.270 nan 0.000 0.505 260 D N 0.795 121.198 120.400 0.004 0.000 2.417 260 D HA -0.021 4.620 4.640 0.002 0.000 0.225 260 D C 1.558 177.863 176.300 0.008 0.000 0.983 260 D CA 1.664 55.667 54.000 0.005 0.000 0.949 260 D CB -0.587 40.215 40.800 0.003 0.000 0.879 260 D HN 0.778 nan 8.370 nan 0.000 0.520 261 G N 0.281 109.088 108.800 0.012 0.000 2.304 261 G HA2 -0.351 3.610 3.960 0.002 0.000 0.252 261 G HA3 -0.351 3.610 3.960 0.002 0.000 0.252 261 G C 0.694 175.603 174.900 0.016 0.000 1.014 261 G CA 0.734 45.843 45.100 0.015 0.000 0.619 261 G HN 0.676 nan 8.290 nan 0.000 0.525 262 S N -0.703 115.004 115.700 0.012 0.000 2.617 262 S HA 0.626 5.097 4.470 0.002 0.000 0.255 262 S C 0.196 174.800 174.600 0.007 0.000 1.318 262 S CA 0.249 58.454 58.200 0.008 0.000 0.978 262 S CB 1.983 65.185 63.200 0.004 0.000 0.961 262 S HN 1.225 nan 8.310 nan 0.000 0.582 263 V N 0.656 120.564 119.914 -0.009 0.000 2.789 263 V HA 0.580 4.701 4.120 0.002 0.000 0.311 263 V C -0.118 175.949 176.094 -0.046 0.000 1.073 263 V CA -0.904 61.384 62.300 -0.019 0.000 0.921 263 V CB 1.846 33.643 31.823 -0.044 0.000 1.009 263 V HN 0.947 nan 8.190 nan 0.000 0.426 264 R N 2.003 122.495 120.500 -0.013 0.000 2.295 264 R HA 0.679 5.020 4.340 0.002 0.000 0.324 264 R C 0.457 176.695 176.300 -0.104 0.000 0.968 264 R CA 0.834 56.921 56.100 -0.022 0.000 0.837 264 R CB 1.091 31.444 30.300 0.088 0.000 1.133 264 R HN 1.226 nan 8.270 nan 0.000 0.450 265 G N 2.973 111.612 108.800 -0.268 0.000 2.516 265 G HA2 -0.237 3.724 3.960 0.002 0.000 0.220 265 G HA3 -0.237 3.724 3.960 0.002 0.000 0.220 265 G C -1.320 173.169 174.900 -0.685 0.000 1.165 265 G CA -0.123 44.739 45.100 -0.397 0.000 1.013 265 G HN 0.600 nan 8.290 nan 0.000 0.590 266 D N 1.901 122.080 120.400 -0.367 0.000 2.412 266 D HA 0.580 5.221 4.640 0.002 0.000 0.224 266 D C -1.112 175.109 176.300 -0.133 0.000 1.093 266 D CA -1.939 51.910 54.000 -0.252 0.000 0.850 266 D CB 1.527 42.473 40.800 0.244 0.000 1.046 266 D HN -0.025 nan 8.370 nan 0.000 0.507 267 P HA -0.140 nan 4.420 nan 0.000 0.218 267 P C 0.919 178.231 177.300 0.020 0.000 1.146 267 P CA 0.998 64.068 63.100 -0.052 0.000 0.813 267 P CB 0.304 31.984 31.700 -0.034 0.000 0.778 268 A N -0.714 122.139 122.820 0.054 0.000 2.067 268 A HA -0.111 4.210 4.320 0.002 0.000 0.219 268 A C 1.549 179.187 177.584 0.089 0.000 1.158 268 A CA 1.265 53.361 52.037 0.098 0.000 0.661 268 A CB -0.798 18.283 19.000 0.134 0.000 0.801 268 A HN 0.169 nan 8.150 nan 0.000 0.452 269 N N -0.221 118.514 118.700 0.057 0.000 2.328 269 N HA 0.165 4.906 4.740 0.002 0.000 0.247 269 N C 0.935 176.442 175.510 -0.005 0.000 1.165 269 N CA 0.067 53.136 53.050 0.033 0.000 0.873 269 N CB 0.897 39.397 38.487 0.022 0.000 1.125 269 N HN 0.183 nan 8.380 nan 0.000 0.513 270 V N 0.953 120.871 119.914 0.008 0.000 2.261 270 V HA -0.231 3.890 4.120 0.002 0.000 0.246 270 V C 2.448 178.552 176.094 0.017 0.000 1.047 270 V CA 1.808 64.112 62.300 0.007 0.000 1.015 270 V CB -0.188 31.650 31.823 0.025 0.000 0.642 270 V HN 0.381 nan 8.190 nan 0.000 0.446 271 E N -0.349 119.869 120.200 0.030 0.000 2.023 271 E HA -0.271 4.080 4.350 0.002 0.000 0.196 271 E C 2.148 178.694 176.600 -0.089 0.000 1.003 271 E CA 1.875 58.277 56.400 0.004 0.000 0.809 271 E CB -0.233 29.518 29.700 0.085 0.000 0.755 271 E HN 0.444 nan 8.360 nan 0.000 0.449 272 I N 0.873 121.392 120.570 -0.084 0.000 2.423 272 I HA -0.236 3.935 4.170 0.002 0.000 0.254 272 I C 2.061 178.125 176.117 -0.089 0.000 1.151 272 I CA 1.545 62.761 61.300 -0.141 0.000 1.421 272 I CB -0.329 37.639 38.000 -0.053 0.000 1.079 272 I HN 0.130 nan 8.210 nan 0.000 0.431 273 T N 0.565 115.096 114.554 -0.038 0.000 2.777 273 T HA -0.115 4.236 4.350 0.002 0.000 0.266 273 T C 1.769 176.538 174.700 0.115 0.000 1.040 273 T CA 1.362 63.482 62.100 0.033 0.000 1.141 273 T CB -0.156 68.719 68.868 0.012 0.000 0.868 273 T HN 0.404 nan 8.240 nan 0.000 0.444 274 E N 1.319 121.556 120.200 0.062 0.000 2.012 274 E HA -0.086 4.265 4.350 0.002 0.000 0.197 274 E C 2.388 179.025 176.600 0.062 0.000 1.007 274 E CA 0.959 57.401 56.400 0.070 0.000 0.816 274 E CB -0.674 29.042 29.700 0.027 0.000 0.762 274 E HN 0.429 nan 8.360 nan 0.000 0.451 275 L N 0.712 121.925 121.223 -0.016 0.000 2.064 275 L HA -0.302 4.039 4.340 0.002 0.000 0.216 275 L C 2.865 179.805 176.870 0.116 0.000 1.077 275 L CA 1.320 56.172 54.840 0.020 0.000 0.766 275 L CB -0.672 41.302 42.059 -0.143 0.000 0.890 275 L HN 0.227 nan 8.230 nan 0.000 0.435 276 C N -0.196 119.140 119.300 0.059 0.000 2.432 276 C HA -0.153 4.308 4.460 0.002 0.000 0.277 276 C C 2.714 177.862 174.990 0.262 0.000 1.249 276 C CA 0.554 59.630 59.018 0.097 0.000 1.725 276 C CB -0.666 27.086 27.740 0.020 0.000 2.028 276 C HN 0.441 nan 8.230 nan 0.000 0.477 277 I N 0.620 121.365 120.570 0.291 0.000 2.361 277 I HA -0.256 3.915 4.170 0.002 0.000 0.251 277 I C 2.722 178.905 176.117 0.111 0.000 1.133 277 I CA 1.552 62.982 61.300 0.217 0.000 1.413 277 I CB -0.651 37.446 38.000 0.161 0.000 1.073 277 I HN 0.501 nan 8.210 nan 0.000 0.424 278 Q N 0.397 120.259 119.800 0.103 0.000 2.364 278 Q HA -0.198 4.143 4.340 0.002 0.000 0.207 278 Q C 0.959 176.897 176.000 -0.102 0.000 0.970 278 Q CA 1.391 57.200 55.803 0.010 0.000 0.888 278 Q CB 0.078 28.828 28.738 0.021 0.000 0.951 278 Q HN 0.584 nan 8.270 nan 0.000 0.469 279 H N -1.926 117.126 119.070 -0.031 0.000 2.505 279 H HA 0.309 4.866 4.556 0.002 0.000 0.286 279 H C 0.604 175.902 175.328 -0.050 0.000 1.072 279 H CA 0.577 56.582 56.048 -0.073 0.000 1.141 279 H CB 1.265 30.940 29.762 -0.145 0.000 1.550 279 H HN 0.422 nan 8.280 nan 0.000 0.547 280 G N -0.140 108.695 108.800 0.058 0.000 2.313 280 G HA2 -0.275 3.686 3.960 0.002 0.000 0.215 280 G HA3 -0.275 3.686 3.960 0.002 0.000 0.215 280 G C 0.191 175.141 174.900 0.083 0.000 1.023 280 G CA -0.245 44.876 45.100 0.034 0.000 0.626 280 G HN 0.345 nan 8.290 nan 0.000 0.503 281 W N 3.991 125.265 121.300 -0.043 0.000 2.391 281 W HA 0.413 5.075 4.660 0.002 0.000 0.339 281 W C 1.067 177.573 176.519 -0.022 0.000 1.252 281 W CA 1.185 58.508 57.345 -0.037 0.000 1.304 281 W CB 0.454 29.900 29.460 -0.023 0.000 1.179 281 W HN 0.613 nan 8.180 nan 0.000 0.567 282 T N 7.211 121.354 114.554 -0.684 0.000 2.832 282 T HA 0.388 4.739 4.350 0.002 0.000 0.313 282 T C -1.924 171.961 174.700 -1.359 0.000 1.035 282 T CA -1.780 59.900 62.100 -0.699 0.000 0.950 282 T CB 0.834 69.457 68.868 -0.407 0.000 0.984 282 T HN 0.340 nan 8.240 nan 0.000 0.486 283 P HA 0.314 nan 4.420 nan 0.000 0.272 283 P C 0.551 177.387 177.300 -0.773 0.000 1.248 283 P CA -0.062 62.179 63.100 -1.432 0.000 0.799 283 P CB 0.476 31.834 31.700 -0.569 0.000 0.997 284 G N -0.238 108.313 108.800 -0.414 0.000 2.971 284 G HA2 0.357 4.318 3.960 0.002 0.000 0.235 284 G HA3 0.357 4.318 3.960 0.002 0.000 0.235 284 G C 0.106 174.743 174.900 -0.439 0.000 1.351 284 G CA -0.592 44.376 45.100 -0.220 0.000 1.039 284 G HN 0.694 nan 8.290 nan 0.000 0.563 285 N N -0.531 118.053 118.700 -0.193 0.000 2.307 285 N HA 0.193 4.934 4.740 0.002 0.000 0.248 285 N C 0.428 175.957 175.510 0.032 0.000 1.322 285 N CA -0.056 52.870 53.050 -0.208 0.000 0.861 285 N CB 1.027 39.405 38.487 -0.182 0.000 1.303 285 N HN 0.631 nan 8.380 nan 0.000 0.498 286 G N 0.465 109.367 108.800 0.169 0.000 2.531 286 G HA2 0.340 4.302 3.960 0.002 0.000 0.313 286 G HA3 0.340 4.302 3.960 0.002 0.000 0.313 286 G C 0.618 175.568 174.900 0.084 0.000 1.238 286 G CA -0.628 44.548 45.100 0.127 0.000 0.994 286 G HN 0.060 nan 8.290 nan 0.000 0.493 287 R N -1.136 119.305 120.500 -0.100 0.000 2.161 287 R HA 0.079 4.420 4.340 0.002 0.000 0.213 287 R C -0.065 175.758 176.300 -0.796 0.000 1.055 287 R CA 0.830 56.661 56.100 -0.448 0.000 0.996 287 R CB 0.082 29.974 30.300 -0.679 0.000 0.901 287 R HN 0.417 nan 8.270 nan 0.000 0.456 288 F N 1.190 121.039 119.950 -0.170 0.000 2.597 288 F HA 0.264 4.792 4.527 0.002 0.000 0.336 288 F C -0.692 174.934 175.800 -0.289 0.000 1.432 288 F CA -1.050 56.530 58.000 -0.700 0.000 1.120 288 F CB 0.658 38.970 39.000 -1.146 0.000 1.253 288 F HN -0.305 nan 8.300 nan 0.000 0.546 289 D N 1.834 122.315 120.400 0.135 0.000 2.339 289 D HA 0.156 4.797 4.640 0.002 0.000 0.241 289 D C 0.235 176.733 176.300 0.331 0.000 1.183 289 D CA 0.082 54.254 54.000 0.286 0.000 0.859 289 D CB 2.219 43.275 40.800 0.428 0.000 1.067 289 D HN -0.009 nan 8.370 nan 0.000 0.484 290 V N 4.019 124.117 119.914 0.305 0.000 2.509 290 V HA -0.071 4.050 4.120 0.002 0.000 0.297 290 V C 1.121 177.196 176.094 -0.032 0.000 1.014 290 V CA -0.011 62.371 62.300 0.137 0.000 1.127 290 V CB 0.012 31.877 31.823 0.070 0.000 0.925 290 V HN 0.355 nan 8.190 nan 0.000 0.480 291 L N 8.582 129.693 121.223 -0.187 0.000 2.467 291 L HA 0.305 4.646 4.340 0.002 0.000 0.270 291 L C -1.618 174.971 176.870 -0.468 0.000 1.205 291 L CA -1.180 53.396 54.840 -0.439 0.000 0.828 291 L CB 0.775 42.621 42.059 -0.354 0.000 1.101 291 L HN 0.499 nan 8.230 nan 0.000 0.479 292 P HA 0.271 nan 4.420 nan 0.000 0.281 292 P C -1.144 175.966 177.300 -0.317 0.000 1.264 292 P CA -0.600 62.197 63.100 -0.504 0.000 0.824 292 P CB 1.254 32.499 31.700 -0.759 0.000 1.092 293 L N 1.190 122.320 121.223 -0.155 0.000 2.334 293 L HA 0.375 4.716 4.340 0.002 0.000 0.277 293 L C 0.511 177.348 176.870 -0.055 0.000 1.075 293 L CA -0.726 54.078 54.840 -0.059 0.000 0.804 293 L CB 0.616 42.706 42.059 0.052 0.000 1.174 293 L HN 0.224 nan 8.230 nan 0.000 0.438 294 L N 5.140 126.315 121.223 -0.080 0.000 2.387 294 L HA 0.398 4.739 4.340 0.002 0.000 0.259 294 L C -0.563 176.206 176.870 -0.169 0.000 1.050 294 L CA -0.268 54.441 54.840 -0.218 0.000 0.922 294 L CB 0.623 42.457 42.059 -0.375 0.000 1.280 294 L HN 0.439 nan 8.230 nan 0.000 0.449 295 L N 2.624 123.840 121.223 -0.013 0.000 2.349 295 L HA 0.401 4.742 4.340 0.002 0.000 0.275 295 L C 0.046 176.871 176.870 -0.075 0.000 1.115 295 L CA -0.085 54.761 54.840 0.010 0.000 0.820 295 L CB 1.086 43.186 42.059 0.069 0.000 1.135 295 L HN 0.551 nan 8.230 nan 0.000 0.445 296 Q N 2.501 122.265 119.800 -0.060 0.000 2.330 296 Q HA 0.675 5.016 4.340 0.002 0.000 0.269 296 Q C -1.293 174.649 176.000 -0.096 0.000 1.022 296 Q CA -0.639 55.115 55.803 -0.081 0.000 0.796 296 Q CB 2.279 31.028 28.738 0.019 0.000 1.271 296 Q HN 0.794 nan 8.270 nan 0.000 0.450 297 A N 4.774 127.484 122.820 -0.183 0.000 2.295 297 A HA 0.675 4.996 4.320 0.002 0.000 0.318 297 A C -2.453 174.882 177.584 -0.415 0.000 1.134 297 A CA -1.788 49.981 52.037 -0.447 0.000 0.827 297 A CB 0.380 19.198 19.000 -0.303 0.000 1.136 297 A HN 0.634 nan 8.150 nan 0.000 0.493 298 P HA -0.043 nan 4.420 nan 0.000 0.257 298 P C -0.622 176.584 177.300 -0.157 0.000 1.153 298 P CA 1.067 63.972 63.100 -0.324 0.000 0.762 298 P CB 0.052 31.556 31.700 -0.327 0.000 0.743 299 D N 0.372 120.728 120.400 -0.074 0.000 2.792 299 D HA -0.194 4.447 4.640 0.002 0.000 0.231 299 D C -0.047 176.239 176.300 -0.023 0.000 1.160 299 D CA 1.315 55.300 54.000 -0.025 0.000 0.697 299 D CB -0.522 40.267 40.800 -0.020 0.000 1.070 299 D HN 0.462 nan 8.370 nan 0.000 0.426 300 E N -0.649 119.529 120.200 -0.037 0.000 2.266 300 E HA 0.620 4.971 4.350 0.002 0.000 0.268 300 E C -0.041 176.542 176.600 -0.028 0.000 0.879 300 E CA -0.746 55.632 56.400 -0.036 0.000 0.762 300 E CB 1.824 31.486 29.700 -0.063 0.000 1.199 300 E HN 0.157 nan 8.360 nan 0.000 0.422 301 A N 4.312 127.121 122.820 -0.018 0.000 2.531 301 A HA 0.236 4.557 4.320 0.002 0.000 0.236 301 A C -1.887 175.606 177.584 -0.152 0.000 1.062 301 A CA -0.648 51.372 52.037 -0.028 0.000 0.760 301 A CB -0.615 18.394 19.000 0.014 0.000 0.995 301 A HN 0.292 nan 8.150 nan 0.000 0.501 302 P HA 0.107 nan 4.420 nan 0.000 0.268 302 P C -0.486 176.569 177.300 -0.408 0.000 1.208 302 P CA 0.289 63.048 63.100 -0.569 0.000 0.777 302 P CB 0.605 31.506 31.700 -1.331 0.000 0.875 303 E N 0.403 120.417 120.200 -0.310 0.000 2.221 303 E HA 0.498 4.849 4.350 0.002 0.000 0.268 303 E C -0.812 175.492 176.600 -0.493 0.000 0.933 303 E CA -1.053 55.133 56.400 -0.357 0.000 0.809 303 E CB 1.594 31.120 29.700 -0.290 0.000 1.190 303 E HN 0.299 nan 8.360 nan 0.000 0.406 304 L N 2.960 123.803 121.223 -0.633 0.000 2.282 304 L HA 0.495 4.836 4.340 0.002 0.000 0.288 304 L C -1.689 174.683 176.870 -0.831 0.000 1.033 304 L CA -0.142 54.378 54.840 -0.534 0.000 0.807 304 L CB 0.302 42.186 42.059 -0.291 0.000 1.209 304 L HN 0.403 nan 8.230 nan 0.000 0.423 305 F N 4.141 123.882 119.950 -0.348 0.000 2.547 305 F HA 0.520 5.048 4.527 0.002 0.000 0.316 305 F C -0.216 175.321 175.800 -0.438 0.000 1.121 305 F CA -0.938 56.724 58.000 -0.563 0.000 0.911 305 F CB 1.753 40.095 39.000 -1.097 0.000 1.179 305 F HN 0.026 nan 8.300 nan 0.000 0.443 306 V N 4.140 123.951 119.914 -0.171 0.000 2.607 306 V HA 0.277 4.398 4.120 0.002 0.000 0.289 306 V C 0.164 176.294 176.094 0.060 0.000 1.053 306 V CA -0.725 61.547 62.300 -0.047 0.000 0.996 306 V CB 1.639 33.488 31.823 0.043 0.000 0.995 306 V HN 0.566 nan 8.190 nan 0.000 0.476 307 L N 6.299 127.585 121.223 0.104 0.000 2.319 307 L HA 0.331 4.672 4.340 0.002 0.000 0.280 307 L C -2.147 174.816 176.870 0.156 0.000 1.099 307 L CA -1.545 53.410 54.840 0.192 0.000 0.828 307 L CB 1.273 43.394 42.059 0.103 0.000 1.150 307 L HN 0.467 nan 8.230 nan 0.000 0.442 308 P HA 0.051 nan 4.420 nan 0.000 0.260 308 P C -2.011 175.340 177.300 0.086 0.000 1.207 308 P CA -0.855 62.320 63.100 0.124 0.000 0.780 308 P CB 0.430 32.198 31.700 0.114 0.000 0.789 309 P HA -0.274 nan 4.420 nan 0.000 0.218 309 P C 1.476 178.809 177.300 0.055 0.000 1.152 309 P CA 1.454 64.596 63.100 0.070 0.000 0.857 309 P CB -0.122 31.620 31.700 0.071 0.000 0.787 310 E N -0.687 119.543 120.200 0.050 0.000 2.204 310 E HA -0.164 4.187 4.350 0.002 0.000 0.195 310 E C 1.843 178.464 176.600 0.035 0.000 0.990 310 E CA 1.108 57.531 56.400 0.037 0.000 0.821 310 E CB -1.214 28.506 29.700 0.032 0.000 0.750 310 E HN 0.215 nan 8.360 nan 0.000 0.477 311 L N 1.296 122.543 121.223 0.040 0.000 2.095 311 L HA 0.009 4.350 4.340 0.002 0.000 0.204 311 L C 1.007 177.903 176.870 0.042 0.000 1.080 311 L CA 0.767 55.628 54.840 0.034 0.000 0.759 311 L CB 0.009 42.085 42.059 0.029 0.000 0.914 311 L HN -0.110 nan 8.230 nan 0.000 0.439 312 V N 2.167 122.108 119.914 0.046 0.000 2.352 312 V HA 0.056 4.177 4.120 0.002 0.000 0.253 312 V C 0.151 176.282 176.094 0.062 0.000 1.083 312 V CA -0.576 61.754 62.300 0.050 0.000 0.993 312 V CB 0.253 32.097 31.823 0.034 0.000 1.111 312 V HN 0.072 nan 8.190 nan 0.000 0.490 313 L N 6.328 127.594 121.223 0.072 0.000 2.367 313 L HA 0.428 4.769 4.340 0.002 0.000 0.275 313 L C 0.171 177.087 176.870 0.078 0.000 1.129 313 L CA 0.630 55.505 54.840 0.059 0.000 0.839 313 L CB 0.467 42.560 42.059 0.055 0.000 1.133 313 L HN 0.666 nan 8.230 nan 0.000 0.453 314 E N 3.165 123.382 120.200 0.029 0.000 2.369 314 E HA 0.567 4.919 4.350 0.002 0.000 0.270 314 E C -1.497 175.037 176.600 -0.111 0.000 0.909 314 E CA -1.006 55.405 56.400 0.018 0.000 0.775 314 E CB 2.462 32.199 29.700 0.062 0.000 1.270 314 E HN 0.352 nan 8.360 nan 0.000 0.445 315 V N 3.331 123.127 119.914 -0.197 0.000 2.326 315 V HA 0.290 4.411 4.120 0.002 0.000 0.281 315 V C -2.201 173.775 176.094 -0.197 0.000 1.015 315 V CA -1.793 60.297 62.300 -0.350 0.000 0.823 315 V CB 1.086 32.355 31.823 -0.923 0.000 1.009 315 V HN 0.539 nan 8.190 nan 0.000 0.436 316 P HA 0.200 nan 4.420 nan 0.000 0.271 316 P C -0.823 176.448 177.300 -0.047 0.000 1.216 316 P CA -0.056 62.993 63.100 -0.086 0.000 0.776 316 P CB 1.233 32.898 31.700 -0.059 0.000 0.881 317 L N 3.261 124.497 121.223 0.022 0.000 2.282 317 L HA 0.426 4.768 4.340 0.002 0.000 0.288 317 L C 1.041 178.019 176.870 0.180 0.000 1.033 317 L CA -0.314 54.585 54.840 0.098 0.000 0.807 317 L CB 0.851 43.025 42.059 0.192 0.000 1.209 317 L HN 0.501 nan 8.230 nan 0.000 0.423 318 E N 1.677 121.933 120.200 0.093 0.000 2.433 318 E HA 0.459 4.810 4.350 0.002 0.000 0.273 318 E C -1.318 175.240 176.600 -0.070 0.000 0.950 318 E CA -0.978 55.491 56.400 0.114 0.000 0.796 318 E CB 2.405 32.171 29.700 0.110 0.000 1.330 318 E HN 0.433 nan 8.360 nan 0.000 0.455 319 H N 1.032 119.953 119.070 -0.248 0.000 2.529 319 H HA 0.232 4.790 4.556 0.002 0.000 0.348 319 H C -1.790 173.268 175.328 -0.449 0.000 1.152 319 H CA -2.254 53.527 56.048 -0.446 0.000 1.202 319 H CB 1.981 31.410 29.762 -0.555 0.000 1.562 319 H HN 0.407 nan 8.280 nan 0.000 0.515 320 P HA -0.144 nan 4.420 nan 0.000 0.214 320 P C 0.978 178.099 177.300 -0.298 0.000 1.163 320 P CA 2.116 64.712 63.100 -0.840 0.000 0.883 320 P CB 0.222 31.390 31.700 -0.886 0.000 0.788 321 T N -3.919 110.605 114.554 -0.050 0.000 3.001 321 T HA 0.261 4.612 4.350 0.002 0.000 0.251 321 T C 0.906 175.612 174.700 0.010 0.000 1.040 321 T CA -0.178 61.934 62.100 0.021 0.000 0.985 321 T CB -0.407 68.485 68.868 0.039 0.000 1.011 321 T HN -0.043 nan 8.240 nan 0.000 0.509 322 L N 3.232 124.450 121.223 -0.008 0.000 2.287 322 L HA 0.411 4.752 4.340 0.002 0.000 0.280 322 L C 1.431 178.007 176.870 -0.490 0.000 1.055 322 L CA -0.778 53.779 54.840 -0.472 0.000 0.863 322 L CB 1.109 42.484 42.059 -1.140 0.000 1.245 322 L HN 0.176 nan 8.230 nan 0.000 0.432 323 E N 3.260 123.319 120.200 -0.234 0.000 2.130 323 E HA -0.258 4.093 4.350 0.002 0.000 0.196 323 E C 1.716 178.292 176.600 -0.040 0.000 0.998 323 E CA 1.716 58.069 56.400 -0.079 0.000 0.806 323 E CB -0.265 29.459 29.700 0.039 0.000 0.738 323 E HN 0.739 nan 8.360 nan 0.000 0.459 324 W N -0.007 121.345 121.300 0.088 0.000 2.402 324 W HA 0.005 4.666 4.660 0.002 0.000 0.286 324 W C 1.639 178.218 176.519 0.100 0.000 1.221 324 W CA 0.226 57.613 57.345 0.070 0.000 1.257 324 W CB -1.286 28.189 29.460 0.027 0.000 1.120 324 W HN 0.012 nan 8.180 nan 0.000 0.551 325 F N 2.911 122.625 119.950 -0.393 0.000 2.063 325 F HA -0.292 4.236 4.527 0.002 0.000 0.298 325 F C 2.808 178.627 175.800 0.033 0.000 1.105 325 F CA 3.457 61.349 58.000 -0.179 0.000 1.215 325 F CB -0.666 38.113 39.000 -0.369 0.000 0.972 325 F HN -0.058 nan 8.300 nan 0.000 0.483 326 A N 0.068 123.057 122.820 0.281 0.000 1.986 326 A HA -0.219 4.103 4.320 0.002 0.000 0.220 326 A C 2.354 180.026 177.584 0.146 0.000 1.171 326 A CA 1.952 54.116 52.037 0.211 0.000 0.640 326 A CB -1.586 17.494 19.000 0.135 0.000 0.811 326 A HN 0.560 nan 8.150 nan 0.000 0.451 327 A N 0.068 122.976 122.820 0.146 0.000 1.892 327 A HA -0.169 4.152 4.320 0.002 0.000 0.218 327 A C 2.043 179.685 177.584 0.096 0.000 1.188 327 A CA 1.656 53.767 52.037 0.124 0.000 0.631 327 A CB -0.800 18.295 19.000 0.159 0.000 0.822 327 A HN 0.552 nan 8.150 nan 0.000 0.447 328 L N -0.798 120.467 121.223 0.069 0.000 2.357 328 L HA -0.173 4.168 4.340 0.002 0.000 0.220 328 L C 1.824 178.742 176.870 0.081 0.000 1.123 328 L CA 0.710 55.565 54.840 0.024 0.000 0.782 328 L CB -1.157 40.813 42.059 -0.149 0.000 0.910 328 L HN 0.668 nan 8.230 nan 0.000 0.442 329 G N 0.619 109.473 108.800 0.091 0.000 2.283 329 G HA2 -0.298 3.663 3.960 0.002 0.000 0.280 329 G HA3 -0.298 3.663 3.960 0.002 0.000 0.280 329 G C 0.188 175.138 174.900 0.084 0.000 1.029 329 G CA 0.130 45.286 45.100 0.093 0.000 0.840 329 G HN 0.302 nan 8.290 nan 0.000 0.505 330 L N -0.624 120.640 121.223 0.068 0.000 2.418 330 L HA 0.765 5.106 4.340 0.002 0.000 0.265 330 L C 1.103 177.812 176.870 -0.268 0.000 1.143 330 L CA -0.612 54.205 54.840 -0.038 0.000 0.809 330 L CB 0.894 43.039 42.059 0.143 0.000 1.124 330 L HN 0.590 nan 8.230 nan 0.000 0.456 331 R N 1.053 121.121 120.500 -0.720 0.000 2.733 331 R HA 0.543 4.884 4.340 0.002 0.000 0.272 331 R C -2.116 174.053 176.300 -0.218 0.000 1.029 331 R CA -1.014 54.820 56.100 -0.443 0.000 0.888 331 R CB 1.880 31.882 30.300 -0.497 0.000 1.251 331 R HN 0.651 nan 8.270 nan 0.000 0.464 332 W N 1.598 122.830 121.300 -0.114 0.000 3.248 332 W HA 0.301 4.963 4.660 0.002 0.000 0.311 332 W C -1.263 175.341 176.519 0.142 0.000 1.258 332 W CA -0.976 56.433 57.345 0.106 0.000 1.191 332 W CB 1.813 31.235 29.460 -0.063 0.000 1.389 332 W HN 0.715 nan 8.180 nan 0.000 0.561 333 Y N 1.118 121.263 120.300 -0.259 0.000 2.314 333 Y HA 0.546 5.097 4.550 0.002 0.000 0.334 333 Y C 0.767 176.899 175.900 0.387 0.000 1.266 333 Y CA 0.303 58.396 58.100 -0.012 0.000 1.391 333 Y CB 0.387 38.720 38.460 -0.211 0.000 1.306 333 Y HN 0.326 nan 8.280 nan 0.000 0.558 334 A N 1.984 125.056 122.820 0.419 0.000 2.081 334 A HA 0.123 4.445 4.320 0.002 0.000 0.214 334 A C 0.381 178.292 177.584 0.544 0.000 1.158 334 A CA 0.097 52.459 52.037 0.542 0.000 0.724 334 A CB -0.188 19.002 19.000 0.317 0.000 0.826 334 A HN 0.666 nan 8.150 nan 0.000 0.463 335 L N 2.366 123.874 121.223 0.475 0.000 2.272 335 L HA 0.398 4.740 4.340 0.002 0.000 0.284 335 L C -2.551 174.464 176.870 0.241 0.000 1.045 335 L CA -2.282 52.748 54.840 0.317 0.000 0.842 335 L CB 1.290 43.493 42.059 0.240 0.000 1.224 335 L HN -0.033 nan 8.230 nan 0.000 0.430 336 P HA 0.255 nan 4.420 nan 0.000 0.281 336 P C -1.091 176.115 177.300 -0.156 0.000 1.286 336 P CA -0.283 62.617 63.100 -0.333 0.000 0.772 336 P CB 1.368 32.502 31.700 -0.943 0.000 0.862 337 A N 4.488 127.239 122.820 -0.114 0.000 3.317 337 A HA 0.300 4.621 4.320 0.002 0.000 0.307 337 A C -0.004 177.339 177.584 -0.401 0.000 1.003 337 A CA -0.566 51.319 52.037 -0.253 0.000 0.882 337 A CB 0.142 19.035 19.000 -0.178 0.000 1.136 337 A HN 0.296 nan 8.150 nan 0.000 0.488 338 V N 1.872 121.440 119.914 -0.577 0.000 2.726 338 V HA -0.001 4.120 4.120 0.002 0.000 0.304 338 V C 1.361 177.084 176.094 -0.618 0.000 1.115 338 V CA 1.893 63.852 62.300 -0.568 0.000 1.264 338 V CB 0.786 32.221 31.823 -0.645 0.000 0.867 338 V HN 1.076 nan 8.190 nan 0.000 0.498 339 S N 1.363 116.903 115.700 -0.267 0.000 2.900 339 S HA 0.105 4.577 4.470 0.002 0.000 0.253 339 S C 0.647 175.250 174.600 0.005 0.000 1.029 339 S CA 0.029 58.144 58.200 -0.142 0.000 1.096 339 S CB -0.372 62.775 63.200 -0.089 0.000 1.067 339 S HN 0.941 nan 8.310 nan 0.000 0.610 340 N N 0.343 119.061 118.700 0.029 0.000 2.177 340 N HA 0.326 5.067 4.740 0.002 0.000 0.218 340 N C 0.213 175.800 175.510 0.129 0.000 1.182 340 N CA -0.555 52.548 53.050 0.088 0.000 0.882 340 N CB 0.169 38.706 38.487 0.082 0.000 1.052 340 N HN 0.245 nan 8.380 nan 0.000 0.519 341 M N 1.268 120.965 119.600 0.162 0.000 2.283 341 M HA 0.327 4.808 4.480 0.002 0.000 0.314 341 M C -0.534 175.918 176.300 0.253 0.000 1.153 341 M CA -0.712 54.726 55.300 0.230 0.000 1.084 341 M CB 1.979 34.751 32.600 0.286 0.000 1.468 341 M HN 0.145 nan 8.290 nan 0.000 0.474 342 L N 2.368 123.729 121.223 0.230 0.000 2.322 342 L HA 0.550 4.891 4.340 0.002 0.000 0.281 342 L C -1.552 175.436 176.870 0.196 0.000 1.014 342 L CA -0.981 53.978 54.840 0.198 0.000 0.815 342 L CB 1.422 43.546 42.059 0.109 0.000 1.247 342 L HN 0.562 nan 8.230 nan 0.000 0.421 343 L N 5.157 126.491 121.223 0.184 0.000 2.272 343 L HA 0.470 4.812 4.340 0.002 0.000 0.289 343 L C -0.517 176.369 176.870 0.027 0.000 1.032 343 L CA 0.263 55.088 54.840 -0.026 0.000 0.810 343 L CB 1.157 43.183 42.059 -0.056 0.000 1.205 343 L HN 0.648 nan 8.230 nan 0.000 0.422 344 E N 6.776 126.906 120.200 -0.117 0.000 2.145 344 E HA 0.404 4.755 4.350 0.002 0.000 0.270 344 E C -1.611 174.895 176.600 -0.158 0.000 0.906 344 E CA -0.444 55.908 56.400 -0.080 0.000 0.761 344 E CB 1.050 30.697 29.700 -0.088 0.000 1.116 344 E HN 0.711 nan 8.360 nan 0.000 0.408 345 I N 2.108 122.601 120.570 -0.129 0.000 2.499 345 I HA 0.314 4.485 4.170 0.002 0.000 0.288 345 I C 0.860 176.780 176.117 -0.329 0.000 1.048 345 I CA -0.919 60.160 61.300 -0.369 0.000 1.062 345 I CB 2.064 39.748 38.000 -0.528 0.000 1.238 345 I HN 0.747 nan 8.210 nan 0.000 0.426 346 G N 4.158 112.769 108.800 -0.314 0.000 2.390 346 G HA2 -0.101 3.861 3.960 0.002 0.000 0.299 346 G HA3 -0.101 3.861 3.960 0.002 0.000 0.299 346 G C 1.065 176.046 174.900 0.136 0.000 1.002 346 G CA 0.902 46.041 45.100 0.065 0.000 0.979 346 G HN 1.622 nan 8.290 nan 0.000 0.513 347 G N -1.841 106.977 108.800 0.030 0.000 2.267 347 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 347 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 347 G C 0.631 175.485 174.900 -0.078 0.000 0.998 347 G CA 0.604 45.715 45.100 0.017 0.000 0.620 347 G HN 1.270 nan 8.290 nan 0.000 0.529 348 L N 0.808 121.941 121.223 -0.150 0.000 2.436 348 L HA 0.534 4.875 4.340 0.002 0.000 0.265 348 L C 0.459 177.129 176.870 -0.333 0.000 1.168 348 L CA -0.144 54.492 54.840 -0.342 0.000 0.815 348 L CB 0.836 42.609 42.059 -0.476 0.000 1.109 348 L HN 0.224 nan 8.230 nan 0.000 0.462 349 E N 2.147 122.061 120.200 -0.477 0.000 2.199 349 E HA 0.344 4.695 4.350 0.002 0.000 0.265 349 E C -1.515 174.762 176.600 -0.538 0.000 0.882 349 E CA -0.435 55.763 56.400 -0.336 0.000 0.759 349 E CB 1.738 31.328 29.700 -0.183 0.000 1.148 349 E HN 0.256 nan 8.360 nan 0.000 0.412 350 F N 2.078 121.993 119.950 -0.058 0.000 2.291 350 F HA 0.085 4.614 4.527 0.002 0.000 0.368 350 F C 1.648 177.481 175.800 0.055 0.000 1.085 350 F CA -0.463 57.530 58.000 -0.011 0.000 1.165 350 F CB 1.097 40.076 39.000 -0.034 0.000 1.429 350 F HN 0.450 nan 8.300 nan 0.000 0.503 351 S N 1.798 117.580 115.700 0.138 0.000 2.442 351 S HA 0.040 4.511 4.470 0.002 0.000 0.236 351 S C 0.849 175.578 174.600 0.214 0.000 1.007 351 S CA 0.584 58.875 58.200 0.151 0.000 0.965 351 S CB -0.053 63.218 63.200 0.120 0.000 0.773 351 S HN 0.520 nan 8.310 nan 0.000 0.504 352 A N 0.321 123.312 122.820 0.285 0.000 2.605 352 A HA 0.815 5.136 4.320 0.002 0.000 0.293 352 A C -0.239 177.597 177.584 0.421 0.000 1.216 352 A CA -0.140 52.098 52.037 0.334 0.000 0.742 352 A CB 0.894 20.079 19.000 0.309 0.000 1.170 352 A HN 0.989 nan 8.150 nan 0.000 0.443 353 A N 4.231 127.247 122.820 0.326 0.000 3.266 353 A HA 0.682 5.003 4.320 0.002 0.000 0.310 353 A C -2.944 174.789 177.584 0.250 0.000 1.066 353 A CA -1.170 51.022 52.037 0.259 0.000 0.839 353 A CB 0.463 19.618 19.000 0.259 0.000 1.192 353 A HN 0.496 nan 8.150 nan 0.000 0.496 354 P HA 0.424 nan 4.420 nan 0.000 0.268 354 P C -0.811 176.505 177.300 0.026 0.000 1.205 354 P CA 0.353 63.419 63.100 -0.057 0.000 0.771 354 P CB 0.402 32.025 31.700 -0.130 0.000 0.858 355 F N -0.409 119.500 119.950 -0.068 0.000 2.588 355 F HA 0.783 5.311 4.527 0.002 0.000 0.314 355 F C -0.695 175.050 175.800 -0.092 0.000 1.069 355 F CA -1.186 56.781 58.000 -0.057 0.000 0.931 355 F CB 1.670 40.508 39.000 -0.271 0.000 1.260 355 F HN 0.404 nan 8.300 nan 0.000 0.465 356 S N 0.090 115.900 115.700 0.184 0.000 2.537 356 S HA 0.887 5.358 4.470 0.002 0.000 0.270 356 S C -0.672 173.910 174.600 -0.030 0.000 1.142 356 S CA -0.174 58.066 58.200 0.066 0.000 0.870 356 S CB 1.437 64.748 63.200 0.184 0.000 1.112 356 S HN 1.414 nan 8.310 nan 0.000 0.466 357 G N 0.225 108.954 108.800 -0.117 0.000 2.581 357 G HA2 0.691 4.653 3.960 0.002 0.000 0.194 357 G HA3 0.691 4.653 3.960 0.002 0.000 0.194 357 G C -1.184 173.751 174.900 0.058 0.000 1.814 357 G CA 0.015 44.975 45.100 -0.233 0.000 0.745 357 G HN 1.350 nan 8.290 nan 0.000 0.802 358 W N -1.422 119.866 121.300 -0.020 0.000 3.298 358 W HA 0.730 5.391 4.660 0.002 0.000 0.302 358 W C -1.862 174.628 176.519 -0.047 0.000 1.255 358 W CA -2.332 55.008 57.345 -0.009 0.000 1.196 358 W CB 0.044 29.539 29.460 0.059 0.000 1.364 358 W HN 0.360 nan 8.180 nan 0.000 0.566 359 Y N 3.166 123.599 120.300 0.221 0.000 2.550 359 Y HA 0.233 4.784 4.550 0.002 0.000 0.343 359 Y C 1.013 176.938 175.900 0.041 0.000 1.245 359 Y CA -0.025 58.090 58.100 0.025 0.000 1.462 359 Y CB 0.844 39.194 38.460 -0.184 0.000 1.340 359 Y HN 0.527 nan 8.280 nan 0.000 0.604 360 M N 2.381 122.101 119.600 0.201 0.000 2.205 360 M HA 0.202 4.683 4.480 0.002 0.000 0.344 360 M C 1.044 177.340 176.300 -0.008 0.000 1.085 360 M CA -0.373 54.988 55.300 0.102 0.000 1.001 360 M CB 1.203 33.847 32.600 0.072 0.000 1.626 360 M HN 0.862 nan 8.290 nan 0.000 0.442 361 S N 1.615 117.270 115.700 -0.076 0.000 2.399 361 S HA -0.246 4.225 4.470 0.002 0.000 0.235 361 S C 1.464 175.953 174.600 -0.184 0.000 1.063 361 S CA 2.482 60.577 58.200 -0.175 0.000 1.070 361 S CB -1.556 61.585 63.200 -0.098 0.000 0.904 361 S HN 0.927 nan 8.310 nan 0.000 0.456 362 T N -0.041 114.439 114.554 -0.124 0.000 2.962 362 T HA -0.008 4.343 4.350 0.002 0.000 0.270 362 T C 1.553 176.123 174.700 -0.218 0.000 1.088 362 T CA 1.209 63.191 62.100 -0.198 0.000 1.127 362 T CB -0.573 68.139 68.868 -0.261 0.000 0.883 362 T HN 0.628 nan 8.240 nan 0.000 0.493 363 E N 0.791 120.883 120.200 -0.179 0.000 2.110 363 E HA -0.018 4.333 4.350 0.002 0.000 0.193 363 E C 1.978 178.367 176.600 -0.350 0.000 0.988 363 E CA 1.215 57.517 56.400 -0.163 0.000 0.804 363 E CB -0.239 29.489 29.700 0.047 0.000 0.745 363 E HN 0.603 nan 8.360 nan 0.000 0.458 364 I N -0.017 120.225 120.570 -0.547 0.000 2.364 364 I HA -0.030 4.141 4.170 0.002 0.000 0.241 364 I C 2.565 178.362 176.117 -0.534 0.000 1.082 364 I CA 0.824 61.617 61.300 -0.846 0.000 1.401 364 I CB -0.464 36.899 38.000 -1.062 0.000 1.126 364 I HN 0.084 nan 8.210 nan 0.000 0.429 365 G N 0.072 108.656 108.800 -0.360 0.000 2.448 365 G HA2 -0.156 3.805 3.960 0.002 0.000 0.219 365 G HA3 -0.156 3.805 3.960 0.002 0.000 0.219 365 G C 1.575 176.381 174.900 -0.156 0.000 1.127 365 G CA 1.505 46.483 45.100 -0.204 0.000 0.766 365 G HN 0.299 nan 8.290 nan 0.000 0.552 366 T N -0.399 114.039 114.554 -0.193 0.000 3.053 366 T HA 0.120 4.471 4.350 0.002 0.000 0.236 366 T C 2.508 177.114 174.700 -0.156 0.000 0.996 366 T CA 0.102 62.105 62.100 -0.161 0.000 1.185 366 T CB 0.122 68.874 68.868 -0.194 0.000 0.892 366 T HN -0.005 nan 8.240 nan 0.000 0.432 367 R N 1.972 122.359 120.500 -0.189 0.000 2.057 367 R HA 0.172 4.513 4.340 0.002 0.000 0.229 367 R C 2.120 178.320 176.300 -0.167 0.000 1.136 367 R CA 1.016 57.013 56.100 -0.172 0.000 0.952 367 R CB -1.062 29.132 30.300 -0.177 0.000 0.848 367 R HN 0.304 nan 8.270 nan 0.000 0.430 368 N N 0.850 119.408 118.700 -0.237 0.000 2.188 368 N HA -0.067 4.674 4.740 0.002 0.000 0.184 368 N C 1.905 177.355 175.510 -0.100 0.000 1.018 368 N CA 1.019 53.929 53.050 -0.234 0.000 0.858 368 N CB -0.092 37.984 38.487 -0.685 0.000 0.989 368 N HN 0.188 nan 8.380 nan 0.000 0.426 369 L N -0.958 120.175 121.223 -0.150 0.000 2.408 369 L HA 0.114 4.456 4.340 0.002 0.000 0.215 369 L C 1.369 178.283 176.870 0.073 0.000 1.081 369 L CA 0.317 55.161 54.840 0.006 0.000 0.840 369 L CB 0.277 42.318 42.059 -0.030 0.000 1.002 369 L HN 0.116 nan 8.230 nan 0.000 0.468 370 C N -1.377 117.927 119.300 0.007 0.000 2.926 370 C HA 0.170 4.631 4.460 0.002 0.000 0.272 370 C C 0.692 175.687 174.990 0.008 0.000 1.249 370 C CA -0.892 58.140 59.018 0.024 0.000 1.691 370 C CB -0.467 27.270 27.740 -0.004 0.000 1.983 370 C HN 0.283 nan 8.230 nan 0.000 0.615 371 D N 2.896 123.275 120.400 -0.036 0.000 2.455 371 D HA 0.057 4.698 4.640 0.002 0.000 0.241 371 D C -1.027 175.276 176.300 0.004 0.000 1.138 371 D CA -1.380 52.581 54.000 -0.066 0.000 0.877 371 D CB 0.807 41.429 40.800 -0.297 0.000 1.187 371 D HN 0.196 nan 8.370 nan 0.000 0.451 372 P HA -0.152 nan 4.420 nan 0.000 0.220 372 P C 0.613 178.016 177.300 0.171 0.000 1.148 372 P CA 1.235 64.423 63.100 0.146 0.000 0.803 372 P CB 0.040 31.833 31.700 0.155 0.000 0.782 373 H N -2.258 116.831 119.070 0.033 0.000 2.519 373 H HA 0.369 4.926 4.556 0.002 0.000 0.289 373 H C 0.911 176.261 175.328 0.037 0.000 1.040 373 H CA -0.354 55.710 56.048 0.028 0.000 1.165 373 H CB -0.085 29.691 29.762 0.024 0.000 1.462 373 H HN -0.037 nan 8.280 nan 0.000 0.555 374 R N -0.132 120.297 120.500 -0.120 0.000 3.006 374 R HA 0.184 4.525 4.340 0.002 0.000 0.150 374 R C 0.908 177.216 176.300 0.012 0.000 1.285 374 R CA -0.726 55.346 56.100 -0.046 0.000 0.813 374 R CB -0.864 29.431 30.300 -0.009 0.000 1.582 374 R HN 0.090 nan 8.270 nan 0.000 0.441 375 Y N 1.771 122.110 120.300 0.064 0.000 2.574 375 Y HA -0.073 4.478 4.550 0.002 0.000 0.294 375 Y C 0.695 176.639 175.900 0.074 0.000 1.142 375 Y CA 0.667 58.823 58.100 0.094 0.000 1.314 375 Y CB -0.543 38.026 38.460 0.181 0.000 0.991 375 Y HN 0.458 nan 8.280 nan 0.000 0.555 376 N N 1.319 120.122 118.700 0.172 0.000 2.718 376 N HA -0.243 4.498 4.740 0.002 0.000 0.268 376 N C 0.450 176.050 175.510 0.150 0.000 0.965 376 N CA 0.844 53.973 53.050 0.131 0.000 0.817 376 N CB -1.182 37.363 38.487 0.097 0.000 0.914 376 N HN 0.687 nan 8.380 nan 0.000 0.558 377 I N -2.928 117.747 120.570 0.176 0.000 3.812 377 I HA 0.082 4.253 4.170 0.002 0.000 0.320 377 I C 1.519 177.733 176.117 0.162 0.000 1.276 377 I CA -0.394 61.003 61.300 0.163 0.000 1.164 377 I CB -0.073 38.032 38.000 0.175 0.000 1.009 377 I HN 0.123 nan 8.210 nan 0.000 0.431 378 L N 1.848 123.177 121.223 0.176 0.000 2.043 378 L HA -0.216 4.125 4.340 0.002 0.000 0.212 378 L C 2.459 179.539 176.870 0.350 0.000 1.075 378 L CA 2.164 57.138 54.840 0.223 0.000 0.752 378 L CB -0.741 41.420 42.059 0.170 0.000 0.891 378 L HN 0.536 nan 8.230 nan 0.000 0.432 379 E N -1.359 119.027 120.200 0.311 0.000 2.076 379 E HA -0.183 4.168 4.350 0.002 0.000 0.190 379 E C 1.760 178.396 176.600 0.059 0.000 0.979 379 E CA 0.887 57.409 56.400 0.204 0.000 0.807 379 E CB -0.011 29.741 29.700 0.086 0.000 0.761 379 E HN 0.483 nan 8.360 nan 0.000 0.454 380 D N 0.321 120.755 120.400 0.057 0.000 2.133 380 D HA -0.176 4.465 4.640 0.002 0.000 0.195 380 D C 2.047 178.343 176.300 -0.007 0.000 0.997 380 D CA 1.395 55.398 54.000 0.005 0.000 0.840 380 D CB -0.015 40.799 40.800 0.023 0.000 0.947 380 D HN 0.148 nan 8.370 nan 0.000 0.452 381 V N 1.576 121.535 119.914 0.074 0.000 2.307 381 V HA -0.198 3.923 4.120 0.002 0.000 0.245 381 V C 2.629 178.796 176.094 0.122 0.000 1.045 381 V CA 1.683 64.067 62.300 0.140 0.000 1.024 381 V CB -0.811 31.159 31.823 0.244 0.000 0.651 381 V HN 0.165 nan 8.190 nan 0.000 0.449 382 A N -0.154 122.763 122.820 0.162 0.000 1.940 382 A HA -0.176 4.145 4.320 0.002 0.000 0.219 382 A C 2.414 179.972 177.584 -0.044 0.000 1.176 382 A CA 2.131 54.258 52.037 0.150 0.000 0.631 382 A CB -0.718 18.470 19.000 0.313 0.000 0.814 382 A HN 0.330 nan 8.150 nan 0.000 0.446 383 V N -0.757 119.081 119.914 -0.128 0.000 2.261 383 V HA -0.350 3.771 4.120 0.002 0.000 0.246 383 V C 2.691 178.621 176.094 -0.273 0.000 1.047 383 V CA 2.209 64.391 62.300 -0.198 0.000 1.015 383 V CB -1.067 30.644 31.823 -0.187 0.000 0.642 383 V HN 0.732 nan 8.190 nan 0.000 0.446 384 C N -0.413 118.647 119.300 -0.401 0.000 2.413 384 C HA -0.196 4.265 4.460 0.002 0.000 0.276 384 C C 2.674 177.200 174.990 -0.774 0.000 1.248 384 C CA 1.090 59.609 59.018 -0.830 0.000 1.742 384 C CB -1.063 25.807 27.740 -1.449 0.000 2.017 384 C HN 0.528 nan 8.230 nan 0.000 0.481 385 M N 0.495 119.883 119.600 -0.353 0.000 2.700 385 M HA -0.036 4.445 4.480 0.002 0.000 0.249 385 M C 0.598 176.876 176.300 -0.037 0.000 1.082 385 M CA 1.073 56.375 55.300 0.004 0.000 1.077 385 M CB -0.677 32.044 32.600 0.203 0.000 1.477 385 M HN 0.354 nan 8.290 nan 0.000 0.529 386 D N 1.230 121.548 120.400 -0.137 0.000 2.699 386 D HA -0.164 4.477 4.640 0.002 0.000 0.239 386 D C -0.929 175.342 176.300 -0.047 0.000 1.136 386 D CA 0.513 54.452 54.000 -0.103 0.000 0.668 386 D CB -0.934 39.817 40.800 -0.081 0.000 1.060 386 D HN 0.340 nan 8.370 nan 0.000 0.429 387 L N -0.268 120.932 121.223 -0.038 0.000 2.416 387 L HA 0.408 4.749 4.340 0.002 0.000 0.262 387 L C 0.915 177.746 176.870 -0.066 0.000 1.093 387 L CA -0.887 53.959 54.840 0.010 0.000 0.801 387 L CB 0.686 42.818 42.059 0.122 0.000 1.191 387 L HN -0.037 nan 8.230 nan 0.000 0.459 388 D N 0.113 120.503 120.400 -0.017 0.000 2.483 388 D HA -0.007 4.634 4.640 0.002 0.000 0.220 388 D C 0.904 177.079 176.300 -0.209 0.000 1.173 388 D CA 0.046 54.005 54.000 -0.068 0.000 0.964 388 D CB 0.617 41.426 40.800 0.015 0.000 1.046 388 D HN 0.498 nan 8.370 nan 0.000 0.517 389 T N 2.473 116.727 114.554 -0.500 0.000 3.284 389 T HA 0.027 4.378 4.350 0.002 0.000 0.252 389 T C 1.493 175.898 174.700 -0.491 0.000 1.144 389 T CA 0.535 62.002 62.100 -1.054 0.000 1.021 389 T CB -0.082 68.158 68.868 -1.046 0.000 0.984 389 T HN 0.300 nan 8.240 nan 0.000 0.545 390 R N -0.024 120.353 120.500 -0.205 0.000 2.080 390 R HA 0.142 4.483 4.340 0.002 0.000 0.222 390 R C 1.174 177.498 176.300 0.040 0.000 1.107 390 R CA 0.746 56.804 56.100 -0.070 0.000 0.980 390 R CB -0.153 30.119 30.300 -0.048 0.000 0.879 390 R HN 0.264 nan 8.270 nan 0.000 0.439 391 T N -0.951 113.667 114.554 0.107 0.000 2.932 391 T HA 0.142 4.493 4.350 0.002 0.000 0.289 391 T C 1.208 176.080 174.700 0.286 0.000 1.039 391 T CA -0.527 61.668 62.100 0.158 0.000 1.024 391 T CB 1.874 70.803 68.868 0.102 0.000 1.090 391 T HN 0.280 nan 8.240 nan 0.000 0.496 392 T N 0.103 114.780 114.554 0.205 0.000 2.857 392 T HA -0.070 4.281 4.350 0.002 0.000 0.266 392 T C 2.102 176.848 174.700 0.076 0.000 1.048 392 T CA 1.397 63.579 62.100 0.137 0.000 1.139 392 T CB -0.758 68.143 68.868 0.054 0.000 0.874 392 T HN 0.640 nan 8.240 nan 0.000 0.455 393 S N 2.373 118.120 115.700 0.078 0.000 2.537 393 S HA -0.096 4.375 4.470 0.002 0.000 0.240 393 S C 2.094 176.737 174.600 0.071 0.000 0.981 393 S CA 0.921 59.154 58.200 0.054 0.000 0.948 393 S CB -0.982 62.246 63.200 0.047 0.000 0.759 393 S HN 0.772 nan 8.310 nan 0.000 0.531 394 S N 1.637 117.415 115.700 0.129 0.000 2.527 394 S HA 0.232 4.703 4.470 0.002 0.000 0.222 394 S C 0.937 175.613 174.600 0.126 0.000 0.985 394 S CA 0.186 58.473 58.200 0.145 0.000 0.921 394 S CB -0.949 62.379 63.200 0.212 0.000 0.772 394 S HN 0.612 nan 8.310 nan 0.000 0.529 395 L N 0.935 122.194 121.223 0.060 0.000 3.717 395 L HA -0.166 4.175 4.340 0.002 0.000 0.414 395 L C 1.558 178.418 176.870 -0.016 0.000 1.228 395 L CA 0.660 55.475 54.840 -0.040 0.000 0.918 395 L CB -2.422 39.630 42.059 -0.012 0.000 1.865 395 L HN 0.742 nan 8.230 nan 0.000 0.922 396 W N -0.234 121.080 121.300 0.022 0.000 2.425 396 W HA -0.104 4.557 4.660 0.001 0.000 0.277 396 W C 1.699 178.238 176.519 0.034 0.000 1.231 396 W CA 1.111 58.473 57.345 0.027 0.000 1.248 396 W CB -0.609 28.863 29.460 0.020 0.000 1.117 396 W HN 0.293 nan 8.180 nan 0.000 0.568 397 K N 1.174 121.111 120.400 -0.770 0.000 2.025 397 K HA -0.142 4.179 4.320 0.002 0.000 0.207 397 K C 1.562 178.011 176.600 -0.252 0.000 1.049 397 K CA 2.276 58.153 56.287 -0.683 0.000 0.933 397 K CB -0.369 31.588 32.500 -0.905 0.000 0.714 397 K HN -0.005 nan 8.250 nan 0.000 0.438 398 D N 0.752 121.027 120.400 -0.208 0.000 2.123 398 D HA -0.138 4.503 4.640 0.002 0.000 0.196 398 D C 1.675 177.962 176.300 -0.022 0.000 0.992 398 D CA 1.245 55.187 54.000 -0.098 0.000 0.833 398 D CB 0.045 40.796 40.800 -0.081 0.000 0.954 398 D HN 0.117 nan 8.370 nan 0.000 0.455 399 K N 0.323 120.733 120.400 0.016 0.000 2.025 399 K HA 0.012 4.333 4.320 0.002 0.000 0.207 399 K C 2.186 178.851 176.600 0.109 0.000 1.049 399 K CA 1.128 57.460 56.287 0.075 0.000 0.933 399 K CB -0.122 32.444 32.500 0.110 0.000 0.714 399 K HN 0.096 nan 8.250 nan 0.000 0.438 400 A N 1.270 124.173 122.820 0.139 0.000 2.014 400 A HA -0.015 4.306 4.320 0.002 0.000 0.218 400 A C 2.285 179.958 177.584 0.149 0.000 1.163 400 A CA 1.510 53.661 52.037 0.190 0.000 0.652 400 A CB -0.457 18.699 19.000 0.261 0.000 0.808 400 A HN 0.321 nan 8.150 nan 0.000 0.449 401 A N -0.364 122.499 122.820 0.072 0.000 1.877 401 A HA -0.017 4.304 4.320 0.002 0.000 0.216 401 A C 2.173 179.782 177.584 0.042 0.000 1.186 401 A CA 1.766 53.825 52.037 0.036 0.000 0.620 401 A CB -0.943 18.038 19.000 -0.032 0.000 0.822 401 A HN 0.382 nan 8.150 nan 0.000 0.443 402 V N 0.486 120.428 119.914 0.046 0.000 2.407 402 V HA -0.205 3.916 4.120 0.002 0.000 0.248 402 V C 2.490 178.632 176.094 0.080 0.000 1.055 402 V CA 2.078 64.412 62.300 0.058 0.000 1.049 402 V CB -0.716 31.145 31.823 0.065 0.000 0.662 402 V HN 0.518 nan 8.190 nan 0.000 0.455 403 E N -0.017 120.255 120.200 0.119 0.000 2.107 403 E HA -0.082 4.269 4.350 0.002 0.000 0.191 403 E C 2.148 178.816 176.600 0.112 0.000 0.982 403 E CA 1.097 57.597 56.400 0.166 0.000 0.809 403 E CB -0.200 29.600 29.700 0.166 0.000 0.756 403 E HN 0.582 nan 8.360 nan 0.000 0.459 404 I N 1.222 121.878 120.570 0.143 0.000 2.315 404 I HA -0.246 3.926 4.170 0.002 0.000 0.248 404 I C 1.711 177.825 176.117 -0.005 0.000 1.117 404 I CA 0.919 62.299 61.300 0.132 0.000 1.404 404 I CB -0.284 37.857 38.000 0.236 0.000 1.071 404 I HN 0.026 nan 8.210 nan 0.000 0.419 405 N N 0.683 119.380 118.700 -0.005 0.000 2.216 405 N HA -0.149 4.592 4.740 0.002 0.000 0.183 405 N C 1.708 177.192 175.510 -0.044 0.000 1.017 405 N CA 0.789 53.818 53.050 -0.036 0.000 0.861 405 N CB -0.147 38.333 38.487 -0.012 0.000 0.986 405 N HN 0.137 nan 8.380 nan 0.000 0.428 406 L N 0.861 122.060 121.223 -0.040 0.000 2.017 406 L HA -0.066 4.276 4.340 0.002 0.000 0.208 406 L C 2.027 178.793 176.870 -0.172 0.000 1.073 406 L CA 1.553 56.338 54.840 -0.091 0.000 0.745 406 L CB -0.861 41.133 42.059 -0.109 0.000 0.894 406 L HN 0.165 nan 8.230 nan 0.000 0.432 407 A N -1.212 121.450 122.820 -0.263 0.000 1.908 407 A HA -0.186 4.135 4.320 0.002 0.000 0.218 407 A C 2.271 179.758 177.584 -0.162 0.000 1.181 407 A CA 2.173 53.980 52.037 -0.383 0.000 0.627 407 A CB -1.171 17.280 19.000 -0.916 0.000 0.818 407 A HN 0.323 nan 8.150 nan 0.000 0.445 408 V N 0.011 119.862 119.914 -0.105 0.000 2.261 408 V HA -0.273 3.849 4.120 0.002 0.000 0.246 408 V C 2.585 178.707 176.094 0.048 0.000 1.047 408 V CA 2.019 64.316 62.300 -0.005 0.000 1.015 408 V CB -0.806 30.953 31.823 -0.106 0.000 0.642 408 V HN 0.581 nan 8.190 nan 0.000 0.446 409 L N -0.495 120.712 121.223 -0.026 0.000 2.012 409 L HA -0.271 4.071 4.340 0.002 0.000 0.210 409 L C 2.637 179.524 176.870 0.029 0.000 1.073 409 L CA 2.349 57.183 54.840 -0.011 0.000 0.748 409 L CB -0.843 41.202 42.059 -0.023 0.000 0.891 409 L HN 0.499 nan 8.230 nan 0.000 0.431 410 H N -0.248 118.772 119.070 -0.085 0.000 2.319 410 H HA -0.158 4.399 4.556 0.002 0.000 0.299 410 H C 2.344 177.639 175.328 -0.056 0.000 1.092 410 H CA 2.065 58.050 56.048 -0.105 0.000 1.302 410 H CB -0.045 29.589 29.762 -0.214 0.000 1.373 410 H HN 0.177 nan 8.280 nan 0.000 0.497 411 S N -0.498 115.100 115.700 -0.169 0.000 2.368 411 S HA -0.123 4.348 4.470 0.002 0.000 0.225 411 S C 2.017 176.529 174.600 -0.146 0.000 1.030 411 S CA 1.273 59.360 58.200 -0.187 0.000 0.999 411 S CB -0.505 62.667 63.200 -0.047 0.000 0.844 411 S HN 0.372 nan 8.310 nan 0.000 0.459 412 F N 2.029 121.889 119.950 -0.149 0.000 2.186 412 F HA -0.090 4.438 4.527 0.002 0.000 0.299 412 F C 2.730 178.456 175.800 -0.123 0.000 1.090 412 F CA 1.050 58.989 58.000 -0.103 0.000 1.307 412 F CB -0.288 38.672 39.000 -0.066 0.000 1.019 412 F HN 0.210 nan 8.300 nan 0.000 0.489 413 Q N -0.536 119.278 119.800 0.023 0.000 2.167 413 Q HA -0.178 4.163 4.340 0.002 0.000 0.202 413 Q C 2.091 178.018 176.000 -0.122 0.000 0.970 413 Q CA 1.101 56.874 55.803 -0.050 0.000 0.855 413 Q CB -0.315 28.385 28.738 -0.063 0.000 0.911 413 Q HN 0.378 nan 8.270 nan 0.000 0.438 414 L N 0.358 121.449 121.223 -0.220 0.000 2.109 414 L HA 0.057 4.398 4.340 0.002 0.000 0.207 414 L C 1.836 178.610 176.870 -0.160 0.000 1.086 414 L CA 1.575 56.276 54.840 -0.231 0.000 0.760 414 L CB -0.398 41.440 42.059 -0.369 0.000 0.910 414 L HN 0.062 nan 8.230 nan 0.000 0.437 415 A N -1.110 121.609 122.820 -0.169 0.000 2.259 415 A HA 0.084 4.405 4.320 0.002 0.000 0.208 415 A C 0.564 178.080 177.584 -0.113 0.000 1.201 415 A CA -0.132 51.812 52.037 -0.155 0.000 0.824 415 A CB -0.462 18.400 19.000 -0.231 0.000 0.838 415 A HN 0.345 nan 8.150 nan 0.000 0.485 416 K N -0.722 119.625 120.400 -0.088 0.000 3.419 416 K HA -0.135 4.186 4.320 0.002 0.000 0.272 416 K C -0.724 175.851 176.600 -0.041 0.000 0.973 416 K CA 0.723 56.974 56.287 -0.060 0.000 0.749 416 K CB -2.413 30.052 32.500 -0.058 0.000 1.403 416 K HN 0.293 nan 8.250 nan 0.000 0.456 417 V N 0.717 120.629 119.914 -0.003 0.000 2.656 417 V HA 0.234 4.355 4.120 0.002 0.000 0.307 417 V C 0.653 176.837 176.094 0.151 0.000 1.051 417 V CA -0.849 61.495 62.300 0.073 0.000 0.893 417 V CB 2.276 34.134 31.823 0.059 0.000 0.999 417 V HN 0.362 nan 8.190 nan 0.000 0.426 418 T N 5.399 119.992 114.554 0.065 0.000 2.934 418 T HA 0.442 4.793 4.350 0.002 0.000 0.306 418 T C -0.350 174.356 174.700 0.010 0.000 1.042 418 T CA 0.696 62.736 62.100 -0.099 0.000 1.145 418 T CB 0.242 68.911 68.868 -0.332 0.000 0.982 418 T HN 0.503 nan 8.240 nan 0.000 0.544 419 I N 2.613 123.114 120.570 -0.114 0.000 2.828 419 I HA 0.569 4.741 4.170 0.002 0.000 0.295 419 I C -1.712 174.380 176.117 -0.042 0.000 1.459 419 I CA -0.765 60.491 61.300 -0.074 0.000 1.015 419 I CB 2.091 39.975 38.000 -0.193 0.000 1.345 419 I HN 0.438 nan 8.210 nan 0.000 0.449 420 V N 6.195 126.151 119.914 0.071 0.000 2.525 420 V HA 0.554 4.676 4.120 0.002 0.000 0.299 420 V C -1.067 175.065 176.094 0.064 0.000 1.034 420 V CA -0.280 62.081 62.300 0.102 0.000 0.863 420 V CB 1.835 33.825 31.823 0.278 0.000 0.999 420 V HN 0.931 nan 8.190 nan 0.000 0.423 421 D N 4.340 124.753 120.400 0.022 0.000 2.360 421 D HA 0.103 4.745 4.640 0.002 0.000 0.242 421 D C 1.328 177.615 176.300 -0.023 0.000 1.184 421 D CA 0.268 54.262 54.000 -0.011 0.000 0.930 421 D CB 0.433 41.193 40.800 -0.067 0.000 1.161 421 D HN 0.747 nan 8.370 nan 0.000 0.447 422 H N -0.205 118.811 119.070 -0.089 0.000 2.491 422 H HA -0.122 4.435 4.556 0.002 0.000 0.290 422 H C 0.953 176.196 175.328 -0.141 0.000 1.050 422 H CA 1.172 57.133 56.048 -0.145 0.000 1.309 422 H CB -0.461 29.158 29.762 -0.238 0.000 1.392 422 H HN 0.520 nan 8.280 nan 0.000 0.554 423 H N 1.287 120.160 119.070 -0.329 0.000 2.284 423 H HA 0.146 4.703 4.556 0.002 0.000 0.304 423 H C 2.572 177.878 175.328 -0.036 0.000 1.069 423 H CA 1.378 57.332 56.048 -0.156 0.000 1.327 423 H CB -0.372 29.265 29.762 -0.208 0.000 1.387 423 H HN 0.480 nan 8.280 nan 0.000 0.498 424 A N 1.443 124.319 122.820 0.093 0.000 1.908 424 A HA -0.145 4.176 4.320 0.002 0.000 0.218 424 A C 2.673 180.324 177.584 0.111 0.000 1.181 424 A CA 1.954 54.044 52.037 0.088 0.000 0.627 424 A CB -0.867 18.172 19.000 0.065 0.000 0.818 424 A HN 0.453 nan 8.150 nan 0.000 0.445 425 A N -0.314 122.569 122.820 0.106 0.000 1.902 425 A HA -0.105 4.216 4.320 0.002 0.000 0.217 425 A C 2.408 180.086 177.584 0.155 0.000 1.181 425 A CA 2.502 54.620 52.037 0.134 0.000 0.623 425 A CB -1.360 17.708 19.000 0.113 0.000 0.818 425 A HN 0.759 nan 8.150 nan 0.000 0.443 426 T N -2.663 111.973 114.554 0.136 0.000 2.951 426 T HA -0.019 4.332 4.350 0.002 0.000 0.268 426 T C 1.655 176.491 174.700 0.225 0.000 1.073 426 T CA 1.170 63.380 62.100 0.183 0.000 1.134 426 T CB -0.509 68.440 68.868 0.136 0.000 0.884 426 T HN 0.059 nan 8.240 nan 0.000 0.479 427 V N 2.890 122.909 119.914 0.175 0.000 2.307 427 V HA -0.172 3.950 4.120 0.002 0.000 0.245 427 V C 3.196 179.382 176.094 0.154 0.000 1.045 427 V CA 2.063 64.454 62.300 0.151 0.000 1.024 427 V CB -1.044 30.849 31.823 0.117 0.000 0.651 427 V HN 0.767 nan 8.190 nan 0.000 0.449 428 S N -0.101 115.698 115.700 0.166 0.000 2.399 428 S HA -0.233 4.238 4.470 0.002 0.000 0.231 428 S C 1.957 176.680 174.600 0.205 0.000 1.022 428 S CA 1.621 59.920 58.200 0.164 0.000 0.983 428 S CB -0.737 62.565 63.200 0.170 0.000 0.803 428 S HN 0.504 nan 8.310 nan 0.000 0.480 429 F N 2.074 122.085 119.950 0.103 0.000 2.206 429 F HA 0.125 4.653 4.527 0.002 0.000 0.298 429 F C 2.228 178.116 175.800 0.146 0.000 1.090 429 F CA 1.007 59.081 58.000 0.122 0.000 1.323 429 F CB -0.352 38.699 39.000 0.085 0.000 1.028 429 F HN 0.096 nan 8.300 nan 0.000 0.492 430 M N 0.229 119.885 119.600 0.094 0.000 2.080 430 M HA -0.206 4.275 4.480 0.002 0.000 0.260 430 M C 2.256 178.521 176.300 -0.058 0.000 1.068 430 M CA 1.647 56.951 55.300 0.006 0.000 1.109 430 M CB -1.377 31.278 32.600 0.092 0.000 1.342 430 M HN 0.051 nan 8.290 nan 0.000 0.405 431 K N -0.250 120.153 120.400 0.004 0.000 2.032 431 K HA -0.228 4.093 4.320 0.002 0.000 0.209 431 K C 2.010 178.586 176.600 -0.039 0.000 1.048 431 K CA 1.969 58.255 56.287 -0.001 0.000 0.927 431 K CB -0.748 31.776 32.500 0.041 0.000 0.712 431 K HN 0.416 nan 8.250 nan 0.000 0.441 432 H N -0.054 118.933 119.070 -0.140 0.000 2.352 432 H HA -0.058 4.499 4.556 0.002 0.000 0.299 432 H C 1.722 176.895 175.328 -0.259 0.000 1.097 432 H CA 2.274 58.216 56.048 -0.176 0.000 1.311 432 H CB -0.201 29.437 29.762 -0.206 0.000 1.377 432 H HN 0.196 nan 8.280 nan 0.000 0.504 433 L N -0.242 120.686 121.223 -0.491 0.000 2.017 433 L HA -0.175 4.166 4.340 0.002 0.000 0.208 433 L C 2.435 179.137 176.870 -0.281 0.000 1.073 433 L CA 1.629 56.201 54.840 -0.447 0.000 0.745 433 L CB -0.548 41.298 42.059 -0.355 0.000 0.894 433 L HN 0.373 nan 8.230 nan 0.000 0.432 434 D N 0.336 120.621 120.400 -0.191 0.000 2.088 434 D HA -0.210 4.431 4.640 0.002 0.000 0.191 434 D C 1.873 178.096 176.300 -0.128 0.000 0.992 434 D CA 1.526 55.454 54.000 -0.119 0.000 0.831 434 D CB -0.142 40.614 40.800 -0.072 0.000 0.973 434 D HN 0.147 nan 8.370 nan 0.000 0.447 435 N N 0.603 119.223 118.700 -0.134 0.000 2.137 435 N HA -0.153 4.588 4.740 0.002 0.000 0.190 435 N C 1.636 177.062 175.510 -0.140 0.000 1.017 435 N CA 0.918 53.907 53.050 -0.103 0.000 0.859 435 N CB -0.272 38.182 38.487 -0.055 0.000 1.002 435 N HN 0.387 nan 8.380 nan 0.000 0.428 436 E N 0.427 120.461 120.200 -0.276 0.000 2.158 436 E HA -0.095 4.256 4.350 0.002 0.000 0.191 436 E C 1.871 178.372 176.600 -0.165 0.000 0.982 436 E CA 0.377 56.615 56.400 -0.270 0.000 0.823 436 E CB -0.112 29.308 29.700 -0.467 0.000 0.766 436 E HN 0.289 nan 8.360 nan 0.000 0.468 437 Q N 1.592 121.303 119.800 -0.149 0.000 2.096 437 Q HA -0.131 4.210 4.340 0.002 0.000 0.204 437 Q C 1.753 177.712 176.000 -0.070 0.000 0.982 437 Q CA 1.725 57.472 55.803 -0.092 0.000 0.850 437 Q CB 0.006 28.698 28.738 -0.077 0.000 0.901 437 Q HN 0.148 nan 8.270 nan 0.000 0.422 438 K N -0.891 119.469 120.400 -0.066 0.000 2.062 438 K HA 0.038 4.359 4.320 0.002 0.000 0.205 438 K C 2.027 178.603 176.600 -0.040 0.000 1.051 438 K CA 0.999 57.258 56.287 -0.046 0.000 0.941 438 K CB -0.163 32.314 32.500 -0.038 0.000 0.719 438 K HN 0.213 nan 8.250 nan 0.000 0.440 439 A N 1.321 124.115 122.820 -0.042 0.000 1.929 439 A HA -0.060 4.262 4.320 0.002 0.000 0.216 439 A C 1.817 179.382 177.584 -0.032 0.000 1.176 439 A CA 1.158 53.182 52.037 -0.022 0.000 0.628 439 A CB -0.019 18.984 19.000 0.006 0.000 0.816 439 A HN 0.168 nan 8.150 nan 0.000 0.444 440 R N -2.765 117.703 120.500 -0.054 0.000 2.541 440 R HA 0.268 4.609 4.340 0.002 0.000 0.332 440 R C 0.736 176.999 176.300 -0.062 0.000 0.951 440 R CA 0.506 56.574 56.100 -0.052 0.000 1.136 440 R CB 0.779 31.045 30.300 -0.056 0.000 1.449 440 R HN 0.676 nan 8.270 nan 0.000 0.531 441 G N 0.823 109.583 108.800 -0.067 0.000 2.149 441 G HA2 -0.128 3.833 3.960 0.002 0.000 0.235 441 G HA3 -0.128 3.833 3.960 0.002 0.000 0.235 441 G C 0.178 175.044 174.900 -0.058 0.000 1.018 441 G CA -0.032 45.022 45.100 -0.077 0.000 0.728 441 G HN 0.716 nan 8.290 nan 0.000 0.508 442 G N -2.374 106.405 108.800 -0.036 0.000 2.361 442 G HA2 0.521 4.482 3.960 0.002 0.000 0.305 442 G HA3 0.521 4.482 3.960 0.002 0.000 0.305 442 G C -0.710 174.201 174.900 0.018 0.000 1.367 442 G CA 0.370 45.481 45.100 0.019 0.000 0.951 442 G HN 1.981 nan 8.290 nan 0.000 0.615 443 C N 2.027 121.357 119.300 0.049 0.000 2.716 443 C HA 0.776 5.237 4.460 0.002 0.000 0.366 443 C C -2.499 172.432 174.990 -0.098 0.000 1.073 443 C CA -1.222 57.775 59.018 -0.034 0.000 1.260 443 C CB 1.546 29.216 27.740 -0.118 0.000 1.755 443 C HN 0.733 nan 8.230 nan 0.000 0.475 444 P HA 0.422 nan 4.420 nan 0.000 0.276 444 P C -0.786 176.385 177.300 -0.216 0.000 1.253 444 P CA 0.462 63.139 63.100 -0.706 0.000 0.766 444 P CB 1.144 32.244 31.700 -1.000 0.000 0.845 445 A N 2.835 125.598 122.820 -0.095 0.000 2.455 445 A HA 0.408 4.729 4.320 0.002 0.000 0.300 445 A C -0.959 176.663 177.584 0.064 0.000 1.040 445 A CA -0.578 51.502 52.037 0.072 0.000 0.697 445 A CB 1.258 20.430 19.000 0.286 0.000 1.265 445 A HN 0.452 nan 8.150 nan 0.000 0.407 446 D N 2.133 122.556 120.400 0.038 0.000 2.428 446 D HA 0.117 4.759 4.640 0.002 0.000 0.221 446 D C 0.795 177.198 176.300 0.171 0.000 1.123 446 D CA -0.451 53.600 54.000 0.085 0.000 0.869 446 D CB 0.362 41.150 40.800 -0.021 0.000 1.032 446 D HN 0.596 nan 8.370 nan 0.000 0.506 447 W N 4.385 125.719 121.300 0.057 0.000 2.317 447 W HA -0.292 4.369 4.660 0.002 0.000 0.318 447 W C 2.017 178.575 176.519 0.064 0.000 1.227 447 W CA 2.517 59.889 57.345 0.045 0.000 1.269 447 W CB -0.126 29.339 29.460 0.007 0.000 1.155 447 W HN 0.565 nan 8.180 nan 0.000 0.484 448 A N -1.216 121.837 122.820 0.389 0.000 1.978 448 A HA -0.223 4.098 4.320 0.002 0.000 0.220 448 A C 1.541 179.179 177.584 0.091 0.000 1.170 448 A CA 1.753 53.947 52.037 0.261 0.000 0.636 448 A CB -1.329 17.883 19.000 0.353 0.000 0.810 448 A HN 0.541 nan 8.150 nan 0.000 0.448 449 W N -0.859 120.387 121.300 -0.090 0.000 2.704 449 W HA 0.197 4.858 4.660 0.002 0.000 0.266 449 W C 1.829 178.216 176.519 -0.220 0.000 1.266 449 W CA -0.056 57.217 57.345 -0.120 0.000 1.377 449 W CB -0.016 29.403 29.460 -0.067 0.000 1.082 449 W HN 0.153 nan 8.180 nan 0.000 0.608 450 I N -0.227 120.284 120.570 -0.098 0.000 2.500 450 I HA -0.059 4.112 4.170 0.002 0.000 0.252 450 I C 0.581 176.493 176.117 -0.342 0.000 1.142 450 I CA 0.775 61.897 61.300 -0.296 0.000 1.451 450 I CB -1.438 36.324 38.000 -0.398 0.000 1.093 450 I HN -0.411 nan 8.210 nan 0.000 0.430 451 V N 4.125 123.750 119.914 -0.482 0.000 2.470 451 V HA 0.111 4.233 4.120 0.002 0.000 0.276 451 V C -1.898 174.014 176.094 -0.303 0.000 1.040 451 V CA -1.187 60.832 62.300 -0.468 0.000 1.008 451 V CB 0.161 31.487 31.823 -0.829 0.000 0.990 451 V HN 0.126 nan 8.190 nan 0.000 0.477 452 P HA 0.074 nan 4.420 nan 0.000 0.267 452 P C -1.770 175.383 177.300 -0.244 0.000 1.201 452 P CA -0.973 61.987 63.100 -0.234 0.000 0.775 452 P CB 0.001 31.554 31.700 -0.246 0.000 0.854 453 P HA -0.026 nan 4.420 nan 0.000 0.234 453 P C 0.190 177.366 177.300 -0.206 0.000 1.167 453 P CA 1.179 64.148 63.100 -0.218 0.000 0.763 453 P CB -0.076 31.493 31.700 -0.219 0.000 0.835 454 I N -7.322 113.087 120.570 -0.268 0.000 2.994 454 I HA 0.432 4.604 4.170 0.002 0.000 0.306 454 I C -0.218 175.766 176.117 -0.222 0.000 1.195 454 I CA -1.300 59.862 61.300 -0.230 0.000 1.001 454 I CB 1.892 39.743 38.000 -0.249 0.000 1.244 454 I HN -0.417 nan 8.210 nan 0.000 0.437 455 S N 1.828 117.455 115.700 -0.121 0.000 3.521 455 S HA -0.194 4.277 4.470 0.002 0.000 0.362 455 S C 1.290 175.848 174.600 -0.070 0.000 1.044 455 S CA 0.813 58.982 58.200 -0.051 0.000 1.091 455 S CB -1.771 61.469 63.200 0.067 0.000 0.908 455 S HN 1.274 nan 8.310 nan 0.000 0.473 456 G N 2.499 111.230 108.800 -0.116 0.000 2.628 456 G HA2 -0.302 3.659 3.960 0.002 0.000 0.217 456 G HA3 -0.302 3.659 3.960 0.002 0.000 0.217 456 G C 1.451 176.228 174.900 -0.205 0.000 1.240 456 G CA 1.447 46.494 45.100 -0.089 0.000 0.792 456 G HN 1.273 nan 8.290 nan 0.000 0.593 457 S N -0.012 115.232 115.700 -0.759 0.000 2.547 457 S HA 0.100 4.571 4.470 0.002 0.000 0.235 457 S C 1.937 176.475 174.600 -0.103 0.000 0.980 457 S CA 0.689 58.326 58.200 -0.938 0.000 0.941 457 S CB -0.045 62.418 63.200 -1.228 0.000 0.763 457 S HN 0.076 nan 8.310 nan 0.000 0.532 458 L N 2.359 123.565 121.223 -0.029 0.000 2.552 458 L HA 0.230 4.571 4.340 0.002 0.000 0.227 458 L C 1.244 178.260 176.870 0.242 0.000 1.146 458 L CA 0.730 55.651 54.840 0.134 0.000 0.858 458 L CB -0.718 41.443 42.059 0.170 0.000 0.969 458 L HN 0.602 nan 8.230 nan 0.000 0.451 459 T N -5.148 109.533 114.554 0.213 0.000 2.940 459 T HA 0.390 4.741 4.350 0.002 0.000 0.288 459 T C -1.808 173.084 174.700 0.320 0.000 1.033 459 T CA -1.881 60.368 62.100 0.250 0.000 1.033 459 T CB 1.780 70.741 68.868 0.156 0.000 1.079 459 T HN -0.202 nan 8.240 nan 0.000 0.496 460 P HA -0.084 nan 4.420 nan 0.000 0.218 460 P C 1.796 179.312 177.300 0.361 0.000 1.149 460 P CA 1.080 64.382 63.100 0.336 0.000 0.817 460 P CB -0.334 31.507 31.700 0.235 0.000 0.785 461 V N -3.638 116.446 119.914 0.282 0.000 2.626 461 V HA -0.172 3.950 4.120 0.002 0.000 0.252 461 V C 2.419 178.662 176.094 0.249 0.000 1.067 461 V CA 1.097 63.547 62.300 0.250 0.000 1.081 461 V CB -2.253 29.659 31.823 0.149 0.000 0.686 461 V HN -0.111 nan 8.190 nan 0.000 0.468 462 F N 1.796 121.785 119.950 0.064 0.000 2.154 462 F HA -0.197 4.331 4.527 0.002 0.000 0.301 462 F C 2.407 178.355 175.800 0.247 0.000 1.087 462 F CA 2.233 60.288 58.000 0.092 0.000 1.274 462 F CB -0.291 38.631 39.000 -0.129 0.000 1.009 462 F HN 0.268 nan 8.300 nan 0.000 0.485 463 H N -0.825 118.571 119.070 0.544 0.000 2.533 463 H HA 0.109 4.666 4.556 0.002 0.000 0.271 463 H C 0.201 175.761 175.328 0.386 0.000 1.000 463 H CA 0.256 56.570 56.048 0.444 0.000 1.149 463 H CB -0.166 29.846 29.762 0.417 0.000 1.375 463 H HN 0.273 nan 8.280 nan 0.000 0.582 464 Q N 1.770 121.842 119.800 0.453 0.000 2.307 464 Q HA 0.176 4.517 4.340 0.002 0.000 0.262 464 Q C -0.551 175.667 176.000 0.363 0.000 0.961 464 Q CA -0.487 55.538 55.803 0.370 0.000 0.882 464 Q CB 1.043 29.973 28.738 0.320 0.000 1.264 464 Q HN 0.234 nan 8.270 nan 0.000 0.446 465 E N 3.329 123.690 120.200 0.268 0.000 2.390 465 E HA 0.361 4.712 4.350 0.002 0.000 0.261 465 E C -0.447 176.273 176.600 0.201 0.000 1.076 465 E CA 0.100 56.607 56.400 0.179 0.000 0.905 465 E CB 0.931 30.728 29.700 0.162 0.000 0.984 465 E HN 0.596 nan 8.360 nan 0.000 0.427 466 M N 0.864 120.576 119.600 0.187 0.000 2.575 466 M HA 0.413 4.894 4.480 0.002 0.000 0.284 466 M C -1.274 175.122 176.300 0.159 0.000 1.253 466 M CA -1.009 54.413 55.300 0.204 0.000 0.861 466 M CB 2.440 35.217 32.600 0.296 0.000 1.733 466 M HN 0.143 nan 8.290 nan 0.000 0.462 467 V N 1.466 121.479 119.914 0.164 0.000 2.540 467 V HA 0.507 4.628 4.120 0.002 0.000 0.302 467 V C -0.820 175.354 176.094 0.133 0.000 1.035 467 V CA -0.751 61.672 62.300 0.207 0.000 0.873 467 V CB 1.805 33.822 31.823 0.323 0.000 0.992 467 V HN 0.789 nan 8.190 nan 0.000 0.428 468 N N 3.436 122.218 118.700 0.136 0.000 2.405 468 N HA 0.719 5.460 4.740 0.002 0.000 0.299 468 N C -1.331 174.262 175.510 0.139 0.000 1.075 468 N CA -0.349 52.697 53.050 -0.006 0.000 0.884 468 N CB 1.632 40.134 38.487 0.025 0.000 1.194 468 N HN 0.691 nan 8.380 nan 0.000 0.491 469 Y N -0.253 120.059 120.300 0.019 0.000 2.638 469 Y HA 0.472 5.023 4.550 0.002 0.000 0.334 469 Y C -1.246 174.649 175.900 -0.007 0.000 1.182 469 Y CA -1.125 56.981 58.100 0.010 0.000 1.102 469 Y CB 0.400 38.872 38.460 0.019 0.000 1.343 469 Y HN 0.243 nan 8.280 nan 0.000 0.463 470 I N 4.035 124.704 120.570 0.166 0.000 2.325 470 I HA 0.410 4.581 4.170 0.002 0.000 0.291 470 I C -0.512 175.668 176.117 0.105 0.000 1.019 470 I CA -0.326 61.017 61.300 0.071 0.000 1.302 470 I CB 0.775 38.795 38.000 0.033 0.000 1.401 470 I HN 0.472 nan 8.210 nan 0.000 0.485 471 L N 5.007 126.262 121.223 0.053 0.000 2.323 471 L HA 0.585 4.926 4.340 0.002 0.000 0.265 471 L C -0.145 176.717 176.870 -0.013 0.000 1.012 471 L CA -0.600 54.270 54.840 0.050 0.000 0.820 471 L CB 2.107 44.203 42.059 0.061 0.000 1.334 471 L HN 0.487 nan 8.230 nan 0.000 0.427 472 S N 0.830 116.528 115.700 -0.005 0.000 2.536 472 S HA 0.646 5.117 4.470 0.002 0.000 0.298 472 S C -2.579 172.012 174.600 -0.015 0.000 1.083 472 S CA -1.414 56.764 58.200 -0.037 0.000 0.995 472 S CB 1.882 65.075 63.200 -0.011 0.000 1.058 472 S HN 0.247 nan 8.310 nan 0.000 0.488 473 P HA 0.344 nan 4.420 nan 0.000 0.267 473 P C -1.398 175.757 177.300 -0.242 0.000 1.195 473 P CA 0.060 63.033 63.100 -0.211 0.000 0.773 473 P CB 0.405 31.924 31.700 -0.302 0.000 0.837 474 A N 1.499 124.133 122.820 -0.309 0.000 2.604 474 A HA 0.638 4.959 4.320 0.002 0.000 0.295 474 A C -1.569 175.788 177.584 -0.378 0.000 1.067 474 A CA -0.515 51.346 52.037 -0.293 0.000 0.683 474 A CB 0.732 19.640 19.000 -0.152 0.000 1.281 474 A HN 0.328 nan 8.150 nan 0.000 0.407 475 F N 1.048 120.900 119.950 -0.162 0.000 2.410 475 F HA 0.690 5.218 4.527 0.002 0.000 0.349 475 F C 0.875 176.547 175.800 -0.214 0.000 1.117 475 F CA 0.135 58.035 58.000 -0.167 0.000 1.104 475 F CB 1.740 40.602 39.000 -0.231 0.000 1.122 475 F HN 0.599 nan 8.300 nan 0.000 0.483 476 R N 1.361 121.862 120.500 0.001 0.000 2.888 476 R HA 0.499 4.841 4.340 0.002 0.000 0.266 476 R C -1.485 174.771 176.300 -0.074 0.000 1.020 476 R CA -0.981 55.049 56.100 -0.116 0.000 0.963 476 R CB 1.441 31.712 30.300 -0.049 0.000 1.197 476 R HN 0.387 nan 8.270 nan 0.000 0.481 477 Y N 1.129 121.446 120.300 0.029 0.000 2.301 477 Y HA 0.237 4.788 4.550 0.002 0.000 0.328 477 Y C 0.324 176.226 175.900 0.003 0.000 1.242 477 Y CA -0.140 57.972 58.100 0.019 0.000 1.323 477 Y CB 0.966 39.425 38.460 -0.002 0.000 1.266 477 Y HN 0.411 nan 8.280 nan 0.000 0.527 478 Q N 1.712 121.614 119.800 0.170 0.000 2.379 478 Q HA 0.630 4.971 4.340 0.002 0.000 0.278 478 Q C -3.107 172.873 176.000 -0.034 0.000 1.068 478 Q CA -2.425 53.410 55.803 0.052 0.000 0.816 478 Q CB 2.069 30.831 28.738 0.041 0.000 1.387 478 Q HN 0.298 nan 8.270 nan 0.000 0.413 479 P HA 0.019 nan 4.420 nan 0.000 0.267 479 P C -0.965 176.150 177.300 -0.307 0.000 1.201 479 P CA 0.100 63.089 63.100 -0.185 0.000 0.775 479 P CB 0.387 31.991 31.700 -0.160 0.000 0.854 480 D N 2.672 122.763 120.400 -0.515 0.000 2.350 480 D HA 0.028 4.669 4.640 0.002 0.000 0.249 480 D C -0.951 174.839 176.300 -0.850 0.000 1.119 480 D CA -1.293 52.158 54.000 -0.916 0.000 0.886 480 D CB 0.411 40.230 40.800 -1.636 0.000 1.195 480 D HN 0.268 nan 8.370 nan 0.000 0.437 481 P HA -0.133 nan 4.420 nan 0.000 0.216 481 P C 0.649 177.701 177.300 -0.412 0.000 1.153 481 P CA 1.100 63.906 63.100 -0.490 0.000 0.858 481 P CB 0.037 31.448 31.700 -0.483 0.000 0.789 482 W N 0.000 120.875 121.300 -0.709 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.114 57.345 -0.385 0.000 1.226 482 W CB 0.000 29.177 29.460 -0.472 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535