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 1foo_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 0.000 176.287 176.600 -0.522 0.000 0.988 69 K CA 0.000 56.025 56.287 -0.437 0.000 0.838 69 K CB 0.000 32.121 32.500 -0.631 0.000 1.064 70 F N 5.070 125.030 119.950 0.016 0.000 2.404 70 F HA 0.371 4.899 4.527 0.002 0.000 0.354 70 F C -2.070 173.811 175.800 0.135 0.000 1.122 70 F CA -2.180 55.852 58.000 0.054 0.000 1.080 70 F CB 0.646 39.678 39.000 0.053 0.000 1.131 70 F HN -0.040 nan 8.300 nan 0.000 0.471 71 P HA 0.083 nan 4.420 nan 0.000 0.271 71 P C -0.824 176.562 177.300 0.144 0.000 1.216 71 P CA -0.513 62.685 63.100 0.164 0.000 0.771 71 P CB 1.126 32.886 31.700 0.100 0.000 0.864 72 R N 2.621 123.142 120.500 0.034 0.000 2.202 72 R HA 0.379 4.720 4.340 0.002 0.000 0.334 72 R C -0.919 175.266 176.300 -0.191 0.000 1.036 72 R CA -0.522 55.408 56.100 -0.283 0.000 0.878 72 R CB 0.335 30.506 30.300 -0.214 0.000 1.067 72 R HN 0.253 nan 8.270 nan 0.000 0.457 73 V N 5.338 125.114 119.914 -0.230 0.000 2.370 73 V HA 0.334 4.455 4.120 0.002 0.000 0.283 73 V C -0.058 175.945 176.094 -0.152 0.000 1.023 73 V CA -0.636 61.599 62.300 -0.108 0.000 0.857 73 V CB 1.251 33.054 31.823 -0.033 0.000 0.985 73 V HN 0.722 nan 8.190 nan 0.000 0.443 74 K N 3.940 124.261 120.400 -0.130 0.000 2.259 74 K HA 0.418 4.739 4.320 0.002 0.000 0.249 74 K C -0.644 175.854 176.600 -0.171 0.000 0.942 74 K CA -0.731 55.406 56.287 -0.250 0.000 0.816 74 K CB 1.513 33.714 32.500 -0.498 0.000 1.155 74 K HN 0.704 nan 8.250 nan 0.000 0.428 75 N N 3.946 122.542 118.700 -0.173 0.000 2.444 75 N HA 0.104 4.845 4.740 0.002 0.000 0.262 75 N C -0.326 175.141 175.510 -0.071 0.000 0.974 75 N CA -0.371 52.683 53.050 0.007 0.000 0.933 75 N CB 0.495 39.010 38.487 0.046 0.000 1.137 75 N HN 0.666 nan 8.380 nan 0.000 0.498 76 W N 2.069 123.446 121.300 0.129 0.000 2.937 76 W HA 0.113 4.775 4.660 0.002 0.000 0.245 76 W C 2.021 178.581 176.519 0.068 0.000 1.306 76 W CA -0.097 57.312 57.345 0.107 0.000 1.470 76 W CB 0.280 29.828 29.460 0.147 0.000 1.132 76 W HN 0.666 nan 8.180 nan 0.000 0.675 77 E N 0.347 120.682 120.200 0.225 0.000 2.102 77 E HA -0.082 4.269 4.350 0.002 0.000 0.190 77 E C 1.735 178.362 176.600 0.046 0.000 0.971 77 E CA 0.906 57.346 56.400 0.066 0.000 0.821 77 E CB -0.140 29.576 29.700 0.027 0.000 0.777 77 E HN 0.261 nan 8.360 nan 0.000 0.460 78 L N -1.033 120.216 121.223 0.042 0.000 2.556 78 L HA 0.330 4.671 4.340 0.002 0.000 0.226 78 L C 1.586 178.439 176.870 -0.028 0.000 1.089 78 L CA 0.461 55.306 54.840 0.008 0.000 0.864 78 L CB 0.566 42.633 42.059 0.013 0.000 1.067 78 L HN 0.431 nan 8.230 nan 0.000 0.477 79 G N 0.452 109.210 108.800 -0.071 0.000 2.179 79 G HA2 -0.306 3.655 3.960 0.002 0.000 0.260 79 G HA3 -0.306 3.655 3.960 0.002 0.000 0.260 79 G C 0.419 175.229 174.900 -0.149 0.000 0.977 79 G CA 0.412 45.432 45.100 -0.133 0.000 0.641 79 G HN 0.446 nan 8.290 nan 0.000 0.533 80 S N -0.262 115.369 115.700 -0.115 0.000 2.592 80 S HA 0.757 5.228 4.470 0.002 0.000 0.271 80 S C 0.145 174.654 174.600 -0.152 0.000 1.326 80 S CA -0.325 57.812 58.200 -0.105 0.000 1.024 80 S CB 2.106 65.269 63.200 -0.061 0.000 0.921 80 S HN 0.602 nan 8.310 nan 0.000 0.527 81 I N 1.272 121.754 120.570 -0.146 0.000 2.730 81 I HA 0.563 4.734 4.170 0.002 0.000 0.298 81 I C -0.171 175.827 176.117 -0.197 0.000 1.089 81 I CA -0.554 60.621 61.300 -0.208 0.000 1.041 81 I CB 2.734 40.587 38.000 -0.246 0.000 1.235 81 I HN 0.990 nan 8.210 nan 0.000 0.423 82 T N 0.396 114.786 114.554 -0.273 0.000 2.864 82 T HA 0.604 4.955 4.350 0.002 0.000 0.299 82 T C -1.394 173.080 174.700 -0.376 0.000 1.166 82 T CA -0.802 61.176 62.100 -0.204 0.000 1.007 82 T CB 1.624 70.443 68.868 -0.082 0.000 1.219 82 T HN 0.291 nan 8.240 nan 0.000 0.506 83 Y N 0.383 120.674 120.300 -0.014 0.000 2.350 83 Y HA 0.456 5.007 4.550 0.002 0.000 0.338 83 Y C 0.028 175.932 175.900 0.007 0.000 0.961 83 Y CA -0.896 57.208 58.100 0.005 0.000 1.100 83 Y CB 1.660 40.105 38.460 -0.024 0.000 1.179 83 Y HN 0.713 nan 8.280 nan 0.000 0.454 84 D N 2.244 122.749 120.400 0.175 0.000 2.339 84 D HA 0.069 4.710 4.640 0.002 0.000 0.241 84 D C 0.716 177.126 176.300 0.184 0.000 1.183 84 D CA 0.180 54.264 54.000 0.140 0.000 0.859 84 D CB 1.268 42.152 40.800 0.140 0.000 1.067 84 D HN 0.796 nan 8.370 nan 0.000 0.484 85 T N 1.090 115.696 114.554 0.086 0.000 3.014 85 T HA -0.041 4.310 4.350 0.002 0.000 0.250 85 T C 1.825 176.579 174.700 0.090 0.000 1.060 85 T CA -0.253 61.895 62.100 0.081 0.000 1.040 85 T CB 0.123 68.824 68.868 -0.278 0.000 0.971 85 T HN 0.247 nan 8.240 nan 0.000 0.497 86 L N 2.522 123.762 121.223 0.028 0.000 2.141 86 L HA 0.057 4.398 4.340 0.002 0.000 0.209 86 L C 2.684 179.455 176.870 -0.166 0.000 1.094 86 L CA 1.274 56.121 54.840 0.011 0.000 0.763 86 L CB -0.936 41.190 42.059 0.111 0.000 0.908 86 L HN 0.667 nan 8.230 nan 0.000 0.437 87 C N -1.425 117.566 119.300 -0.514 0.000 2.401 87 C HA -0.052 4.409 4.460 0.002 0.000 0.286 87 C C 2.783 177.520 174.990 -0.420 0.000 1.332 87 C CA 0.278 58.639 59.018 -1.095 0.000 1.795 87 C CB -2.231 24.881 27.740 -1.046 0.000 1.922 87 C HN 0.574 nan 8.230 nan 0.000 0.520 88 A N 0.135 122.862 122.820 -0.156 0.000 2.015 88 A HA -0.092 4.229 4.320 0.002 0.000 0.219 88 A C 2.257 179.820 177.584 -0.035 0.000 1.163 88 A CA 1.400 53.400 52.037 -0.061 0.000 0.646 88 A CB -0.490 18.559 19.000 0.082 0.000 0.806 88 A HN 0.695 nan 8.150 nan 0.000 0.448 89 Q N 0.343 120.131 119.800 -0.021 0.000 2.515 89 Q HA 0.035 4.376 4.340 0.002 0.000 0.212 89 Q C 0.692 176.713 176.000 0.034 0.000 0.970 89 Q CA 0.362 56.178 55.803 0.022 0.000 0.941 89 Q CB -0.471 28.294 28.738 0.047 0.000 0.998 89 Q HN 0.500 nan 8.270 nan 0.000 0.518 90 S N 0.906 116.612 115.700 0.011 0.000 2.510 90 S HA 0.050 4.521 4.470 0.002 0.000 0.279 90 S C 0.856 175.477 174.600 0.036 0.000 1.284 90 S CA -0.125 58.110 58.200 0.058 0.000 1.059 90 S CB 0.544 63.786 63.200 0.072 0.000 0.901 90 S HN 0.115 nan 8.310 nan 0.000 0.491 91 Q N 2.114 121.942 119.800 0.047 0.000 2.246 91 Q HA 0.206 4.547 4.340 0.002 0.000 0.222 91 Q C -0.153 175.866 176.000 0.031 0.000 0.851 91 Q CA 0.097 55.920 55.803 0.034 0.000 0.945 91 Q CB 0.512 29.273 28.738 0.038 0.000 1.122 91 Q HN 0.744 nan 8.270 nan 0.000 0.508 92 Q N 1.409 121.233 119.800 0.040 0.000 2.316 92 Q HA 0.261 4.602 4.340 0.002 0.000 0.264 92 Q C -1.328 174.695 176.000 0.038 0.000 0.987 92 Q CA -0.251 55.572 55.803 0.033 0.000 0.852 92 Q CB 1.214 29.969 28.738 0.028 0.000 1.287 92 Q HN -0.177 nan 8.270 nan 0.000 0.448 93 D N 2.295 122.712 120.400 0.029 0.000 2.302 93 D HA 0.442 5.083 4.640 0.002 0.000 0.248 93 D C 0.109 176.429 176.300 0.033 0.000 1.094 93 D CA 0.227 54.245 54.000 0.030 0.000 0.897 93 D CB 1.370 42.182 40.800 0.020 0.000 1.200 93 D HN 0.696 nan 8.370 nan 0.000 0.429 94 G N 0.967 109.791 108.800 0.040 0.000 2.531 94 G HA2 0.335 4.296 3.960 0.002 0.000 0.281 94 G HA3 0.335 4.296 3.960 0.002 0.000 0.281 94 G C -1.576 173.344 174.900 0.034 0.000 1.382 94 G CA -0.615 44.509 45.100 0.040 0.000 1.045 94 G HN 0.369 nan 8.290 nan 0.000 0.533 95 P HA 0.180 nan 4.420 nan 0.000 0.251 95 P C 0.229 177.546 177.300 0.029 0.000 1.223 95 P CA -0.079 63.040 63.100 0.031 0.000 0.796 95 P CB 0.182 31.904 31.700 0.036 0.000 1.068 96 C N 0.887 120.206 119.300 0.031 0.000 2.520 96 C HA 0.617 5.078 4.460 0.002 0.000 0.376 96 C C 1.032 176.033 174.990 0.020 0.000 1.268 96 C CA 0.223 59.258 59.018 0.027 0.000 2.414 96 C CB 0.890 28.649 27.740 0.032 0.000 2.521 96 C HN 0.379 nan 8.230 nan 0.000 0.618 97 T N -1.545 113.018 114.554 0.015 0.000 2.843 97 T HA 0.411 4.762 4.350 0.002 0.000 0.302 97 T C -2.542 172.162 174.700 0.007 0.000 1.232 97 T CA -1.042 61.064 62.100 0.009 0.000 1.009 97 T CB 1.303 70.175 68.868 0.007 0.000 1.254 97 T HN 0.257 nan 8.240 nan 0.000 0.504 98 P HA 0.041 nan 4.420 nan 0.000 0.220 98 P C 1.490 178.791 177.300 0.001 0.000 1.148 98 P CA 0.551 63.651 63.100 0.001 0.000 0.803 98 P CB 0.139 31.838 31.700 -0.002 0.000 0.782 99 R N -0.025 120.476 120.500 0.002 0.000 2.090 99 R HA -0.047 4.294 4.340 0.002 0.000 0.228 99 R C 0.583 176.884 176.300 0.002 0.000 1.110 99 R CA 0.913 57.014 56.100 0.002 0.000 0.973 99 R CB 0.171 30.472 30.300 0.002 0.000 0.869 99 R HN 0.086 nan 8.270 nan 0.000 0.440 100 R N -0.298 120.205 120.500 0.005 0.000 2.629 100 R HA 0.145 4.486 4.340 0.002 0.000 0.266 100 R C -1.842 174.464 176.300 0.010 0.000 1.051 100 R CA -0.707 55.397 56.100 0.006 0.000 0.895 100 R CB 0.226 30.530 30.300 0.006 0.000 1.246 100 R HN 0.087 nan 8.270 nan 0.000 0.459 101 C N 4.039 123.344 119.300 0.010 0.000 2.295 101 C HA 0.585 5.046 4.460 0.002 0.000 0.331 101 C C 0.701 175.705 174.990 0.023 0.000 1.280 101 C CA -0.691 58.336 59.018 0.016 0.000 1.746 101 C CB -0.723 27.023 27.740 0.009 0.000 2.328 101 C HN 0.777 nan 8.230 nan 0.000 0.521 102 L N 5.826 127.068 121.223 0.032 0.000 3.017 102 L HA 0.292 4.633 4.340 0.002 0.000 0.255 102 L C 2.059 178.964 176.870 0.058 0.000 1.247 102 L CA 0.237 55.101 54.840 0.040 0.000 1.038 102 L CB -0.141 41.940 42.059 0.036 0.000 1.380 102 L HN 1.028 nan 8.230 nan 0.000 0.548 103 G N 0.542 109.379 108.800 0.061 0.000 2.462 103 G HA2 -0.300 3.661 3.960 0.002 0.000 0.220 103 G HA3 -0.300 3.661 3.960 0.002 0.000 0.220 103 G C 1.655 176.632 174.900 0.127 0.000 1.121 103 G CA 1.229 46.381 45.100 0.087 0.000 0.758 103 G HN 0.524 nan 8.290 nan 0.000 0.559 104 S N -0.506 115.264 115.700 0.116 0.000 2.561 104 S HA 0.246 4.718 4.470 0.002 0.000 0.225 104 S C 0.792 175.487 174.600 0.159 0.000 0.977 104 S CA -0.319 57.969 58.200 0.148 0.000 0.926 104 S CB -0.131 63.131 63.200 0.103 0.000 0.769 104 S HN 0.004 nan 8.310 nan 0.000 0.533 105 L N 2.199 123.498 121.223 0.128 0.000 2.410 105 L HA 0.214 4.555 4.340 0.002 0.000 0.273 105 L C 1.383 178.355 176.870 0.169 0.000 1.152 105 L CA 0.200 55.110 54.840 0.117 0.000 0.855 105 L CB 0.775 42.880 42.059 0.075 0.000 1.129 105 L HN -0.006 nan 8.230 nan 0.000 0.463 106 V N 3.437 123.458 119.914 0.179 0.000 2.346 106 V HA -0.045 4.076 4.120 0.002 0.000 0.244 106 V C 0.809 176.966 176.094 0.106 0.000 1.037 106 V CA 1.041 63.487 62.300 0.244 0.000 1.029 106 V CB -0.325 31.643 31.823 0.243 0.000 0.663 106 V HN 0.471 nan 8.190 nan 0.000 0.454 107 L N -0.133 121.093 121.223 0.004 0.000 2.330 107 L HA 0.493 4.835 4.340 0.002 0.000 0.271 107 L C -2.461 174.421 176.870 0.019 0.000 1.013 107 L CA -1.824 52.974 54.840 -0.069 0.000 0.816 107 L CB 1.092 43.040 42.059 -0.184 0.000 1.287 107 L HN 0.066 nan 8.230 nan 0.000 0.435 108 P HA 0.265 nan 4.420 nan 0.000 0.277 108 P C -0.192 177.120 177.300 0.020 0.000 1.240 108 P CA -0.618 62.512 63.100 0.050 0.000 0.798 108 P CB 1.088 32.831 31.700 0.073 0.000 0.979 109 R N 1.818 122.328 120.500 0.018 0.000 2.112 109 R HA 0.028 4.369 4.340 0.002 0.000 0.216 109 R C 1.490 177.792 176.300 0.005 0.000 1.080 109 R CA 1.653 57.757 56.100 0.007 0.000 0.996 109 R CB -0.083 30.222 30.300 0.008 0.000 0.902 109 R HN 0.223 nan 8.270 nan 0.000 0.449 110 K N -1.585 118.821 120.400 0.011 0.000 2.511 110 K HA 0.222 4.543 4.320 0.002 0.000 0.206 110 K C 0.376 176.984 176.600 0.013 0.000 1.333 110 K CA 0.175 56.467 56.287 0.008 0.000 0.957 110 K CB 0.266 32.770 32.500 0.007 0.000 1.172 110 K HN 0.052 nan 8.250 nan 0.000 0.547 111 L N 2.615 123.852 121.223 0.023 0.000 2.885 111 L HA 0.085 4.426 4.340 0.002 0.000 0.258 111 L C 0.959 177.850 176.870 0.035 0.000 1.146 111 L CA 0.784 55.641 54.840 0.028 0.000 0.922 111 L CB -1.507 40.574 42.059 0.035 0.000 1.138 111 L HN 0.298 nan 8.230 nan 0.000 0.431 112 Q N -0.039 119.778 119.800 0.027 0.000 2.577 112 Q HA 0.132 4.473 4.340 0.002 0.000 0.183 112 Q C 0.043 176.053 176.000 0.017 0.000 1.167 112 Q CA 0.630 56.451 55.803 0.029 0.000 1.234 112 Q CB 0.437 29.179 28.738 0.006 0.000 1.569 112 Q HN 0.211 nan 8.270 nan 0.000 0.656 113 T N 1.706 116.264 114.554 0.006 0.000 3.305 113 T HA 0.359 4.710 4.350 0.002 0.000 0.348 113 T C -0.828 173.861 174.700 -0.018 0.000 1.394 113 T CA -0.640 61.456 62.100 -0.005 0.000 1.549 113 T CB 0.334 69.202 68.868 -0.001 0.000 0.962 113 T HN 0.302 nan 8.240 nan 0.000 0.609 114 R N 2.328 122.816 120.500 -0.019 0.000 2.740 114 R HA 0.086 4.427 4.340 0.002 0.000 0.263 114 R C -2.090 174.194 176.300 -0.027 0.000 0.997 114 R CA -0.979 55.106 56.100 -0.024 0.000 1.108 114 R CB -0.310 29.979 30.300 -0.019 0.000 0.969 114 R HN 0.314 nan 8.270 nan 0.000 0.431 115 P HA -0.088 nan 4.420 nan 0.000 0.272 115 P C -0.056 177.229 177.300 -0.025 0.000 1.225 115 P CA 0.403 63.487 63.100 -0.027 0.000 0.800 115 P CB 0.436 32.121 31.700 -0.024 0.000 0.894 116 S N 0.378 116.064 115.700 -0.024 0.000 2.740 116 S HA 0.259 4.730 4.470 0.002 0.000 0.244 116 S C -1.549 173.040 174.600 -0.019 0.000 1.101 116 S CA -1.082 57.102 58.200 -0.026 0.000 1.123 116 S CB -0.374 62.803 63.200 -0.037 0.000 1.012 116 S HN 0.301 nan 8.310 nan 0.000 0.491 117 P HA 0.180 nan 4.420 nan 0.000 0.225 117 P C 0.794 178.090 177.300 -0.006 0.000 1.156 117 P CA 0.564 63.660 63.100 -0.008 0.000 0.787 117 P CB -0.037 31.659 31.700 -0.006 0.000 0.802 118 G N 1.036 109.831 108.800 -0.009 0.000 2.481 118 G HA2 0.536 4.498 3.960 0.002 0.000 0.315 118 G HA3 0.536 4.498 3.960 0.002 0.000 0.315 118 G C -2.943 171.951 174.900 -0.010 0.000 1.231 118 G CA -1.624 43.473 45.100 -0.006 0.000 0.968 118 G HN -0.119 nan 8.290 nan 0.000 0.482 119 P HA 0.226 nan 4.420 nan 0.000 0.271 119 P C -2.339 174.958 177.300 -0.006 0.000 1.216 119 P CA -0.803 62.293 63.100 -0.007 0.000 0.771 119 P CB 0.948 32.648 31.700 0.001 0.000 0.864 120 P HA 0.267 nan 4.420 nan 0.000 0.275 120 P C -2.524 174.779 177.300 0.004 0.000 1.228 120 P CA -1.669 61.427 63.100 -0.006 0.000 0.786 120 P CB -0.938 30.755 31.700 -0.011 0.000 0.927 121 P HA -0.061 nan 4.420 nan 0.000 0.258 121 P C 0.975 178.284 177.300 0.015 0.000 1.172 121 P CA 0.447 63.552 63.100 0.009 0.000 0.762 121 P CB 0.033 31.738 31.700 0.008 0.000 0.764 122 A N 4.578 127.408 122.820 0.017 0.000 1.948 122 A HA -0.267 4.054 4.320 0.002 0.000 0.220 122 A C 1.950 179.546 177.584 0.019 0.000 1.177 122 A CA 1.654 53.704 52.037 0.022 0.000 0.636 122 A CB -0.729 18.283 19.000 0.019 0.000 0.815 122 A HN 0.595 nan 8.150 nan 0.000 0.449 123 E N -1.230 118.978 120.200 0.014 0.000 2.051 123 E HA -0.255 4.096 4.350 0.002 0.000 0.192 123 E C 2.302 178.912 176.600 0.017 0.000 0.991 123 E CA 1.431 57.838 56.400 0.012 0.000 0.799 123 E CB -0.164 29.542 29.700 0.009 0.000 0.748 123 E HN 0.681 nan 8.360 nan 0.000 0.449 124 Q N 1.192 121.003 119.800 0.018 0.000 2.020 124 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 124 Q C 2.129 178.148 176.000 0.033 0.000 0.982 124 Q CA 1.176 56.993 55.803 0.022 0.000 0.838 124 Q CB -0.481 28.267 28.738 0.017 0.000 0.899 124 Q HN 0.246 nan 8.270 nan 0.000 0.423 125 L N -0.090 121.156 121.223 0.038 0.000 2.042 125 L HA -0.118 4.223 4.340 0.002 0.000 0.210 125 L C 2.095 179.006 176.870 0.068 0.000 1.076 125 L CA 1.768 56.647 54.840 0.064 0.000 0.749 125 L CB -1.090 41.013 42.059 0.073 0.000 0.893 125 L HN 0.449 nan 8.230 nan 0.000 0.432 126 L N -0.442 120.802 121.223 0.035 0.000 2.042 126 L HA -0.184 4.157 4.340 0.002 0.000 0.210 126 L C 2.758 179.635 176.870 0.010 0.000 1.076 126 L CA 2.161 57.002 54.840 0.001 0.000 0.749 126 L CB -0.919 41.136 42.059 -0.006 0.000 0.893 126 L HN 0.639 nan 8.230 nan 0.000 0.432 127 S N -1.790 113.926 115.700 0.027 0.000 2.383 127 S HA -0.223 4.249 4.470 0.002 0.000 0.227 127 S C 1.891 176.530 174.600 0.065 0.000 1.026 127 S CA 1.050 59.273 58.200 0.038 0.000 0.981 127 S CB -0.616 62.604 63.200 0.033 0.000 0.818 127 S HN 0.636 nan 8.310 nan 0.000 0.472 128 Q N 1.117 120.963 119.800 0.076 0.000 2.119 128 Q HA 0.092 4.433 4.340 0.002 0.000 0.201 128 Q C 2.604 178.705 176.000 0.168 0.000 0.972 128 Q CA 1.291 57.161 55.803 0.111 0.000 0.847 128 Q CB -0.515 28.279 28.738 0.093 0.000 0.903 128 Q HN 0.765 nan 8.270 nan 0.000 0.433 129 A N 1.337 124.238 122.820 0.134 0.000 1.858 129 A HA -0.205 4.116 4.320 0.002 0.000 0.216 129 A C 2.006 179.667 177.584 0.128 0.000 1.190 129 A CA 1.333 53.438 52.037 0.112 0.000 0.617 129 A CB -0.422 18.445 19.000 -0.222 0.000 0.827 129 A HN 0.198 nan 8.150 nan 0.000 0.443 130 R N -0.608 119.931 120.500 0.065 0.000 2.083 130 R HA -0.189 4.152 4.340 0.002 0.000 0.237 130 R C 2.087 178.471 176.300 0.140 0.000 1.137 130 R CA 1.759 57.909 56.100 0.082 0.000 0.951 130 R CB -0.544 29.781 30.300 0.041 0.000 0.851 130 R HN 0.723 nan 8.270 nan 0.000 0.434 131 D N 0.065 120.551 120.400 0.143 0.000 2.104 131 D HA -0.225 4.416 4.640 0.002 0.000 0.194 131 D C 1.671 178.091 176.300 0.200 0.000 0.994 131 D CA 1.190 55.282 54.000 0.153 0.000 0.830 131 D CB -0.107 40.778 40.800 0.143 0.000 0.959 131 D HN 0.153 nan 8.370 nan 0.000 0.452 132 F N 0.794 120.830 119.950 0.144 0.000 2.102 132 F HA -0.096 4.432 4.527 0.002 0.000 0.298 132 F C 2.011 177.950 175.800 0.232 0.000 1.105 132 F CA 1.122 59.240 58.000 0.197 0.000 1.239 132 F CB -0.269 38.851 39.000 0.200 0.000 0.991 132 F HN -0.011 nan 8.300 nan 0.000 0.474 133 I N 0.979 121.606 120.570 0.096 0.000 2.264 133 I HA -0.311 3.860 4.170 0.002 0.000 0.248 133 I C 1.999 178.155 176.117 0.066 0.000 1.111 133 I CA 1.213 62.561 61.300 0.079 0.000 1.382 133 I CB -1.626 36.528 38.000 0.256 0.000 1.060 133 I HN 0.268 nan 8.210 nan 0.000 0.418 134 N N 0.829 119.593 118.700 0.106 0.000 2.120 134 N HA -0.184 4.558 4.740 0.002 0.000 0.188 134 N C 1.856 177.313 175.510 -0.088 0.000 1.024 134 N CA 1.081 54.175 53.050 0.072 0.000 0.852 134 N CB -0.290 38.281 38.487 0.140 0.000 1.003 134 N HN 0.499 nan 8.380 nan 0.000 0.424 135 Q N -0.464 119.290 119.800 -0.077 0.000 2.061 135 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 135 Q C 1.843 177.630 176.000 -0.355 0.000 0.984 135 Q CA 1.340 57.101 55.803 -0.071 0.000 0.846 135 Q CB -0.262 28.552 28.738 0.126 0.000 0.902 135 Q HN 0.441 nan 8.270 nan 0.000 0.421 136 Y N -0.025 119.820 120.300 -0.758 0.000 2.128 136 Y HA -0.297 4.254 4.550 0.002 0.000 0.284 136 Y C 1.656 176.993 175.900 -0.939 0.000 1.154 136 Y CA 1.669 59.024 58.100 -1.240 0.000 1.149 136 Y CB -0.503 37.328 38.460 -1.048 0.000 0.976 136 Y HN 0.116 nan 8.280 nan 0.000 0.505 137 Y N -0.471 119.360 120.300 -0.783 0.000 2.421 137 Y HA -0.164 4.387 4.550 0.002 0.000 0.292 137 Y C 2.704 178.255 175.900 -0.581 0.000 1.136 137 Y CA 1.465 59.100 58.100 -0.774 0.000 1.255 137 Y CB -0.331 37.612 38.460 -0.862 0.000 0.991 137 Y HN 0.094 nan 8.280 nan 0.000 0.552 138 S N -0.739 114.739 115.700 -0.370 0.000 2.387 138 S HA -0.196 4.275 4.470 0.002 0.000 0.226 138 S C 2.278 176.718 174.600 -0.268 0.000 1.026 138 S CA 1.268 59.330 58.200 -0.231 0.000 0.972 138 S CB -0.530 62.587 63.200 -0.138 0.000 0.814 138 S HN 0.634 nan 8.310 nan 0.000 0.477 139 S N 2.582 118.029 115.700 -0.422 0.000 2.399 139 S HA -0.074 4.397 4.470 0.002 0.000 0.231 139 S C 1.558 175.944 174.600 -0.356 0.000 1.022 139 S CA 1.144 59.129 58.200 -0.358 0.000 0.983 139 S CB -0.809 62.054 63.200 -0.561 0.000 0.803 139 S HN 0.716 nan 8.310 nan 0.000 0.480 140 I N -2.180 118.078 120.570 -0.520 0.000 3.891 140 I HA 0.410 4.582 4.170 0.002 0.000 0.331 140 I C -0.184 175.790 176.117 -0.238 0.000 1.406 140 I CA -0.693 60.373 61.300 -0.390 0.000 1.139 140 I CB -0.649 37.025 38.000 -0.544 0.000 1.056 140 I HN 0.007 nan 8.210 nan 0.000 0.399 141 K N 2.102 122.385 120.400 -0.195 0.000 3.156 141 K HA -0.178 4.143 4.320 0.002 0.000 0.266 141 K C 0.109 176.662 176.600 -0.079 0.000 0.966 141 K CA 0.582 56.802 56.287 -0.113 0.000 0.719 141 K CB -1.323 31.129 32.500 -0.080 0.000 1.333 141 K HN 0.624 nan 8.250 nan 0.000 0.468 142 R N -0.120 120.338 120.500 -0.071 0.000 2.616 142 R HA 0.073 4.414 4.340 0.002 0.000 0.427 142 R C 0.036 176.365 176.300 0.049 0.000 1.030 142 R CA -0.256 55.856 56.100 0.020 0.000 1.133 142 R CB 1.209 31.569 30.300 0.099 0.000 1.444 142 R HN 0.161 nan 8.270 nan 0.000 0.578 143 S N -0.232 115.467 115.700 -0.002 0.000 2.558 143 S HA 0.206 4.677 4.470 0.002 0.000 0.288 143 S C 1.490 176.169 174.600 0.132 0.000 1.318 143 S CA 1.555 59.783 58.200 0.047 0.000 1.056 143 S CB 0.605 63.815 63.200 0.015 0.000 0.853 143 S HN 0.693 nan 8.310 nan 0.000 0.505 144 G N 2.743 111.725 108.800 0.303 0.000 2.257 144 G HA2 -0.339 3.622 3.960 0.002 0.000 0.267 144 G HA3 -0.339 3.622 3.960 0.002 0.000 0.267 144 G C 0.446 175.338 174.900 -0.013 0.000 0.984 144 G CA 0.925 46.058 45.100 0.054 0.000 0.626 144 G HN 1.740 nan 8.290 nan 0.000 0.540 145 S N -0.586 115.118 115.700 0.007 0.000 2.592 145 S HA 0.259 4.730 4.470 0.002 0.000 0.256 145 S C 1.332 175.891 174.600 -0.068 0.000 1.369 145 S CA 0.917 59.103 58.200 -0.024 0.000 0.984 145 S CB 0.891 64.093 63.200 0.003 0.000 0.919 145 S HN 0.585 nan 8.310 nan 0.000 0.576 146 Q N 0.210 119.980 119.800 -0.050 0.000 2.172 146 Q HA -0.058 4.283 4.340 0.002 0.000 0.200 146 Q C 2.247 178.203 176.000 -0.074 0.000 0.964 146 Q CA 1.197 56.965 55.803 -0.058 0.000 0.855 146 Q CB -0.644 28.076 28.738 -0.029 0.000 0.918 146 Q HN 0.909 nan 8.270 nan 0.000 0.444 147 A N 0.042 122.829 122.820 -0.056 0.000 1.898 147 A HA -0.229 4.092 4.320 0.002 0.000 0.216 147 A C 1.848 179.272 177.584 -0.267 0.000 1.181 147 A CA 1.599 53.617 52.037 -0.031 0.000 0.620 147 A CB -0.996 18.092 19.000 0.148 0.000 0.819 147 A HN 0.673 nan 8.150 nan 0.000 0.442 148 H N -1.017 117.559 119.070 -0.823 0.000 2.319 148 H HA -0.199 4.358 4.556 0.002 0.000 0.299 148 H C 2.211 177.225 175.328 -0.523 0.000 1.092 148 H CA 1.697 56.959 56.048 -1.311 0.000 1.302 148 H CB 0.114 29.282 29.762 -0.990 0.000 1.373 148 H HN 0.482 nan 8.280 nan 0.000 0.497 149 E N 0.750 120.752 120.200 -0.330 0.000 2.077 149 E HA -0.160 4.191 4.350 0.002 0.000 0.193 149 E C 2.115 178.623 176.600 -0.152 0.000 0.989 149 E CA 1.717 57.953 56.400 -0.274 0.000 0.800 149 E CB -0.044 29.537 29.700 -0.199 0.000 0.746 149 E HN 0.629 nan 8.360 nan 0.000 0.452 150 E N -0.501 119.639 120.200 -0.101 0.000 2.106 150 E HA -0.190 4.161 4.350 0.002 0.000 0.192 150 E C 2.164 178.763 176.600 -0.001 0.000 0.984 150 E CA 0.923 57.301 56.400 -0.037 0.000 0.806 150 E CB -0.109 29.586 29.700 -0.007 0.000 0.750 150 E HN -0.011 nan 8.360 nan 0.000 0.458 151 R N 1.452 121.965 120.500 0.021 0.000 2.081 151 R HA -0.092 4.250 4.340 0.002 0.000 0.235 151 R C 2.099 178.442 176.300 0.071 0.000 1.131 151 R CA 1.189 57.356 56.100 0.111 0.000 0.960 151 R CB -0.642 29.826 30.300 0.280 0.000 0.856 151 R HN 0.159 nan 8.270 nan 0.000 0.436 152 L N 0.135 121.370 121.223 0.019 0.000 2.046 152 L HA -0.205 4.136 4.340 0.002 0.000 0.208 152 L C 2.543 179.391 176.870 -0.036 0.000 1.077 152 L CA 1.684 56.514 54.840 -0.016 0.000 0.747 152 L CB -0.456 41.554 42.059 -0.083 0.000 0.896 152 L HN 0.323 nan 8.230 nan 0.000 0.432 153 Q N -0.214 119.564 119.800 -0.036 0.000 2.084 153 Q HA -0.228 4.113 4.340 0.002 0.000 0.202 153 Q C 2.124 178.120 176.000 -0.006 0.000 0.978 153 Q CA 1.578 57.365 55.803 -0.027 0.000 0.844 153 Q CB -0.099 28.624 28.738 -0.026 0.000 0.898 153 Q HN 0.523 nan 8.270 nan 0.000 0.426 154 E N -0.024 120.185 120.200 0.014 0.000 2.058 154 E HA -0.195 4.157 4.350 0.002 0.000 0.194 154 E C 2.127 178.745 176.600 0.030 0.000 0.997 154 E CA 1.584 58.008 56.400 0.039 0.000 0.801 154 E CB -0.078 29.664 29.700 0.070 0.000 0.746 154 E HN 0.142 nan 8.360 nan 0.000 0.450 155 V N 1.904 121.810 119.914 -0.014 0.000 2.287 155 V HA -0.258 3.863 4.120 0.002 0.000 0.248 155 V C 2.244 178.276 176.094 -0.104 0.000 1.053 155 V CA 1.808 64.031 62.300 -0.129 0.000 1.027 155 V CB -0.539 31.100 31.823 -0.307 0.000 0.646 155 V HN 0.233 nan 8.190 nan 0.000 0.447 156 E N 0.448 120.605 120.200 -0.072 0.000 2.038 156 E HA -0.267 4.084 4.350 0.002 0.000 0.195 156 E C 2.398 178.992 176.600 -0.010 0.000 1.000 156 E CA 1.647 58.021 56.400 -0.044 0.000 0.803 156 E CB -0.460 29.219 29.700 -0.035 0.000 0.750 156 E HN 0.585 nan 8.360 nan 0.000 0.448 157 A N 1.371 124.193 122.820 0.003 0.000 1.908 157 A HA -0.257 4.064 4.320 0.002 0.000 0.218 157 A C 2.072 179.682 177.584 0.043 0.000 1.181 157 A CA 1.851 53.901 52.037 0.022 0.000 0.627 157 A CB -0.524 18.492 19.000 0.026 0.000 0.818 157 A HN 0.248 nan 8.150 nan 0.000 0.445 158 E N -0.654 119.585 120.200 0.065 0.000 2.107 158 E HA -0.086 4.265 4.350 0.002 0.000 0.191 158 E C 1.950 178.614 176.600 0.107 0.000 0.982 158 E CA 1.074 57.540 56.400 0.110 0.000 0.809 158 E CB -0.052 29.759 29.700 0.185 0.000 0.756 158 E HN 0.365 nan 8.360 nan 0.000 0.459 159 V N 0.966 120.930 119.914 0.084 0.000 2.307 159 V HA -0.246 3.875 4.120 0.002 0.000 0.245 159 V C 2.344 178.469 176.094 0.051 0.000 1.045 159 V CA 1.768 64.115 62.300 0.078 0.000 1.024 159 V CB -0.642 31.209 31.823 0.046 0.000 0.651 159 V HN 0.369 nan 8.190 nan 0.000 0.449 160 A N -0.381 122.459 122.820 0.034 0.000 1.940 160 A HA -0.209 4.112 4.320 0.002 0.000 0.219 160 A C 2.427 180.029 177.584 0.031 0.000 1.176 160 A CA 2.473 54.526 52.037 0.026 0.000 0.631 160 A CB -0.539 18.471 19.000 0.017 0.000 0.814 160 A HN 0.536 nan 8.150 nan 0.000 0.446 161 S N -1.488 114.236 115.700 0.039 0.000 2.439 161 S HA -0.023 4.448 4.470 0.002 0.000 0.224 161 S C 1.858 176.486 174.600 0.046 0.000 1.029 161 S CA 1.424 59.648 58.200 0.040 0.000 0.946 161 S CB -0.003 63.222 63.200 0.042 0.000 0.797 161 S HN 0.891 nan 8.310 nan 0.000 0.504 162 T N -2.751 111.839 114.554 0.060 0.000 2.975 162 T HA 0.461 4.812 4.350 0.002 0.000 0.261 162 T C 1.407 176.140 174.700 0.055 0.000 0.984 162 T CA 0.835 62.973 62.100 0.063 0.000 0.911 162 T CB 0.496 69.418 68.868 0.091 0.000 1.127 162 T HN 0.507 nan 8.240 nan 0.000 0.514 163 G N 0.282 109.115 108.800 0.054 0.000 2.159 163 G HA2 -0.155 3.806 3.960 0.002 0.000 0.256 163 G HA3 -0.155 3.806 3.960 0.002 0.000 0.256 163 G C 0.164 175.093 174.900 0.049 0.000 0.977 163 G CA 0.540 45.666 45.100 0.044 0.000 0.652 163 G HN 1.068 nan 8.290 nan 0.000 0.531 164 T N -1.554 113.043 114.554 0.072 0.000 2.693 164 T HA 0.680 5.031 4.350 0.002 0.000 0.304 164 T C -1.172 173.618 174.700 0.151 0.000 1.471 164 T CA 0.389 62.523 62.100 0.057 0.000 0.993 164 T CB 1.339 70.156 68.868 -0.085 0.000 1.554 164 T HN 1.545 nan 8.240 nan 0.000 0.496 165 Y N -0.763 119.448 120.300 -0.147 0.000 2.840 165 Y HA 0.859 5.410 4.550 0.002 0.000 0.324 165 Y C -1.524 174.179 175.900 -0.329 0.000 1.378 165 Y CA -1.187 56.868 58.100 -0.075 0.000 1.077 165 Y CB 0.906 39.375 38.460 0.016 0.000 1.361 165 Y HN 0.765 nan 8.280 nan 0.000 0.459 166 H N 0.386 119.490 119.070 0.056 0.000 2.768 166 H HA 0.629 5.186 4.556 0.002 0.000 0.371 166 H C -1.076 174.313 175.328 0.102 0.000 1.151 166 H CA -0.798 55.223 56.048 -0.046 0.000 1.165 166 H CB 2.009 31.783 29.762 0.021 0.000 1.722 166 H HN 0.689 nan 8.280 nan 0.000 0.543 167 L N 2.180 123.483 121.223 0.134 0.000 2.399 167 L HA 0.459 4.800 4.340 0.002 0.000 0.266 167 L C 0.499 177.447 176.870 0.130 0.000 1.114 167 L CA -0.881 54.060 54.840 0.170 0.000 0.804 167 L CB 0.579 42.701 42.059 0.105 0.000 1.146 167 L HN 0.410 nan 8.230 nan 0.000 0.451 168 R N 1.069 121.622 120.500 0.089 0.000 2.459 168 R HA 0.074 4.415 4.340 0.002 0.000 0.281 168 R C 0.839 177.134 176.300 -0.008 0.000 1.050 168 R CA -0.389 55.733 56.100 0.036 0.000 1.055 168 R CB 1.150 31.455 30.300 0.008 0.000 1.045 168 R HN 0.683 nan 8.270 nan 0.000 0.495 169 E N 1.465 121.660 120.200 -0.009 0.000 2.097 169 E HA -0.251 4.101 4.350 0.002 0.000 0.196 169 E C 1.362 177.940 176.600 -0.036 0.000 1.000 169 E CA 2.302 58.685 56.400 -0.027 0.000 0.804 169 E CB 0.158 29.847 29.700 -0.017 0.000 0.740 169 E HN 0.674 nan 8.360 nan 0.000 0.454 170 S N 0.186 115.859 115.700 -0.044 0.000 2.368 170 S HA -0.213 4.258 4.470 0.002 0.000 0.225 170 S C 1.796 176.332 174.600 -0.107 0.000 1.030 170 S CA 1.346 59.526 58.200 -0.033 0.000 0.999 170 S CB -0.390 62.811 63.200 0.001 0.000 0.844 170 S HN 0.393 nan 8.310 nan 0.000 0.459 171 E N 1.100 121.122 120.200 -0.297 0.000 2.072 171 E HA -0.046 4.306 4.350 0.002 0.000 0.191 171 E C 2.069 178.769 176.600 0.166 0.000 0.985 171 E CA 1.035 57.275 56.400 -0.265 0.000 0.801 171 E CB -0.370 29.228 29.700 -0.169 0.000 0.750 171 E HN 0.419 nan 8.360 nan 0.000 0.452 172 L N 1.019 122.259 121.223 0.029 0.000 2.012 172 L HA -0.178 4.163 4.340 0.002 0.000 0.210 172 L C 2.242 179.092 176.870 -0.035 0.000 1.073 172 L CA 1.432 56.233 54.840 -0.065 0.000 0.748 172 L CB -0.340 41.623 42.059 -0.159 0.000 0.891 172 L HN -0.050 nan 8.230 nan 0.000 0.431 173 V N -0.479 119.440 119.914 0.009 0.000 2.287 173 V HA -0.323 3.799 4.120 0.002 0.000 0.248 173 V C 2.328 178.505 176.094 0.138 0.000 1.053 173 V CA 2.175 64.496 62.300 0.035 0.000 1.027 173 V CB -0.980 30.869 31.823 0.042 0.000 0.646 173 V HN 0.572 nan 8.190 nan 0.000 0.447 174 F N 2.103 122.118 119.950 0.109 0.000 2.102 174 F HA -0.048 4.480 4.527 0.002 0.000 0.298 174 F C 2.183 178.118 175.800 0.225 0.000 1.105 174 F CA 1.710 59.830 58.000 0.201 0.000 1.239 174 F CB -0.964 38.214 39.000 0.297 0.000 0.991 174 F HN 0.126 nan 8.300 nan 0.000 0.474 175 G N -0.261 108.627 108.800 0.148 0.000 2.418 175 G HA2 -0.211 3.750 3.960 0.002 0.000 0.217 175 G HA3 -0.211 3.750 3.960 0.002 0.000 0.217 175 G C 1.822 176.610 174.900 -0.185 0.000 1.158 175 G CA 0.868 45.961 45.100 -0.012 0.000 0.771 175 G HN 0.647 nan 8.290 nan 0.000 0.545 176 A N 0.967 123.701 122.820 -0.142 0.000 1.877 176 A HA -0.000 4.321 4.320 0.002 0.000 0.216 176 A C 2.310 179.899 177.584 0.009 0.000 1.186 176 A CA 1.934 53.897 52.037 -0.123 0.000 0.620 176 A CB -0.356 18.598 19.000 -0.077 0.000 0.822 176 A HN 0.376 nan 8.150 nan 0.000 0.443 177 K N -0.699 119.740 120.400 0.065 0.000 2.097 177 K HA -0.144 4.177 4.320 0.002 0.000 0.206 177 K C 2.257 178.922 176.600 0.108 0.000 1.049 177 K CA 1.323 57.754 56.287 0.239 0.000 0.933 177 K CB -0.146 32.538 32.500 0.307 0.000 0.717 177 K HN 0.395 nan 8.250 nan 0.000 0.442 178 Q N 0.281 119.967 119.800 -0.190 0.000 2.079 178 Q HA -0.070 4.271 4.340 0.002 0.000 0.200 178 Q C 2.240 178.102 176.000 -0.232 0.000 0.974 178 Q CA 1.495 57.090 55.803 -0.346 0.000 0.840 178 Q CB -0.339 28.105 28.738 -0.489 0.000 0.898 178 Q HN 0.329 nan 8.270 nan 0.000 0.430 179 A N 0.303 122.997 122.820 -0.210 0.000 1.908 179 A HA -0.196 4.125 4.320 0.002 0.000 0.218 179 A C 1.830 179.455 177.584 0.069 0.000 1.181 179 A CA 1.499 53.374 52.037 -0.269 0.000 0.627 179 A CB -0.970 17.544 19.000 -0.811 0.000 0.818 179 A HN 0.538 nan 8.150 nan 0.000 0.445 180 W N 0.868 122.182 121.300 0.023 0.000 2.379 180 W HA -0.102 4.559 4.660 0.002 0.000 0.307 180 W C 2.341 178.811 176.519 -0.081 0.000 1.200 180 W CA 1.445 58.823 57.345 0.056 0.000 1.297 180 W CB -0.656 28.831 29.460 0.045 0.000 1.140 180 W HN 0.370 nan 8.180 nan 0.000 0.507 181 R N 0.374 120.774 120.500 -0.166 0.000 2.105 181 R HA -0.183 4.158 4.340 0.002 0.000 0.239 181 R C 1.539 177.660 176.300 -0.298 0.000 1.135 181 R CA 1.857 57.631 56.100 -0.544 0.000 0.967 181 R CB -0.547 29.099 30.300 -1.090 0.000 0.861 181 R HN 0.118 nan 8.270 nan 0.000 0.442 182 N N 0.414 119.001 118.700 -0.189 0.000 2.422 182 N HA 0.011 4.752 4.740 0.002 0.000 0.181 182 N C -0.182 175.278 175.510 -0.083 0.000 1.080 182 N CA 0.654 53.621 53.050 -0.138 0.000 0.893 182 N CB 0.283 38.694 38.487 -0.128 0.000 0.973 182 N HN 0.160 nan 8.380 nan 0.000 0.456 183 A N 2.409 125.228 122.820 -0.003 0.000 2.496 183 A HA 0.169 4.490 4.320 0.002 0.000 0.278 183 A C -1.195 176.364 177.584 -0.041 0.000 1.137 183 A CA -0.817 51.221 52.037 0.002 0.000 0.805 183 A CB 0.181 19.229 19.000 0.081 0.000 1.077 183 A HN 0.025 nan 8.150 nan 0.000 0.513 184 P HA -0.130 nan 4.420 nan 0.000 0.219 184 P C 1.118 178.364 177.300 -0.089 0.000 1.146 184 P CA 1.205 64.242 63.100 -0.104 0.000 0.808 184 P CB 0.150 31.754 31.700 -0.159 0.000 0.779 185 R N -2.280 118.129 120.500 -0.151 0.000 2.317 185 R HA 0.140 4.481 4.340 0.002 0.000 0.208 185 R C 0.357 176.651 176.300 -0.010 0.000 0.914 185 R CA -0.119 55.912 56.100 -0.116 0.000 1.060 185 R CB -0.433 29.609 30.300 -0.430 0.000 1.015 185 R HN 0.172 nan 8.270 nan 0.000 0.498 186 C N 0.656 119.943 119.300 -0.020 0.000 2.325 186 C HA 0.196 4.658 4.460 0.002 0.000 0.347 186 C C 1.887 176.837 174.990 -0.066 0.000 1.263 186 C CA -0.625 58.407 59.018 0.024 0.000 1.806 186 C CB 0.533 28.358 27.740 0.142 0.000 2.405 186 C HN 0.284 nan 8.230 nan 0.000 0.537 187 V N 6.054 125.891 119.914 -0.129 0.000 3.461 187 V HA 0.216 4.337 4.120 0.002 0.000 0.267 187 V C 1.697 177.813 176.094 0.036 0.000 1.186 187 V CA 1.970 64.111 62.300 -0.264 0.000 1.154 187 V CB -0.122 31.561 31.823 -0.234 0.000 0.802 187 V HN 1.073 nan 8.190 nan 0.000 0.474 188 G N -0.666 108.183 108.800 0.081 0.000 3.434 188 G HA2 0.083 4.044 3.960 0.002 0.000 0.258 188 G HA3 0.083 4.044 3.960 0.002 0.000 0.258 188 G C 1.169 176.089 174.900 0.033 0.000 1.128 188 G CA -0.367 44.794 45.100 0.100 0.000 0.792 188 G HN 0.420 nan 8.290 nan 0.000 0.539 189 R N -0.165 120.262 120.500 -0.122 0.000 2.341 189 R HA 0.112 4.453 4.340 0.002 0.000 0.213 189 R C 1.948 177.845 176.300 -0.673 0.000 1.082 189 R CA 0.196 55.926 56.100 -0.616 0.000 1.017 189 R CB -0.134 29.774 30.300 -0.652 0.000 0.860 189 R HN 0.449 nan 8.270 nan 0.000 0.473 190 I N 0.824 121.170 120.570 -0.373 0.000 2.614 190 I HA -0.228 3.943 4.170 0.002 0.000 0.258 190 I C 1.325 177.355 176.117 -0.145 0.000 1.189 190 I CA 1.208 62.440 61.300 -0.114 0.000 1.462 190 I CB 0.180 38.206 38.000 0.044 0.000 1.092 190 I HN 0.192 nan 8.210 nan 0.000 0.442 191 Q N 0.482 120.138 119.800 -0.240 0.000 2.360 191 Q HA -0.096 4.245 4.340 0.002 0.000 0.202 191 Q C 1.620 177.267 176.000 -0.588 0.000 0.915 191 Q CA 0.332 56.002 55.803 -0.222 0.000 0.943 191 Q CB -0.187 28.585 28.738 0.057 0.000 1.064 191 Q HN 0.785 nan 8.270 nan 0.000 0.511 192 W N 0.203 120.825 121.300 -1.130 0.000 2.321 192 W HA -0.155 4.506 4.660 0.002 0.000 0.285 192 W C 1.078 177.354 176.519 -0.406 0.000 1.213 192 W CA 1.206 57.775 57.345 -1.294 0.000 1.205 192 W CB -1.137 27.723 29.460 -1.000 0.000 1.134 192 W HN 0.067 nan 8.180 nan 0.000 0.549 193 G N 1.157 109.381 108.800 -0.959 0.000 2.623 193 G HA2 -0.095 3.866 3.960 0.002 0.000 0.214 193 G HA3 -0.095 3.866 3.960 0.002 0.000 0.214 193 G C 0.872 175.602 174.900 -0.283 0.000 1.138 193 G CA -0.171 44.437 45.100 -0.820 0.000 0.794 193 G HN 0.209 nan 8.290 nan 0.000 0.535 194 K N 0.473 120.799 120.400 -0.124 0.000 2.457 194 K HA 0.395 4.716 4.320 0.002 0.000 0.226 194 K C -1.428 175.283 176.600 0.185 0.000 1.114 194 K CA -0.490 55.818 56.287 0.034 0.000 1.089 194 K CB 1.119 33.659 32.500 0.066 0.000 1.739 194 K HN 0.091 nan 8.250 nan 0.000 0.473 195 L N 1.735 123.059 121.223 0.168 0.000 2.349 195 L HA 0.276 4.617 4.340 0.002 0.000 0.278 195 L C -0.783 176.088 176.870 0.001 0.000 0.996 195 L CA -0.554 54.392 54.840 0.178 0.000 0.825 195 L CB 1.666 43.904 42.059 0.299 0.000 1.243 195 L HN 0.233 nan 8.230 nan 0.000 0.412 196 Q N 3.504 123.249 119.800 -0.091 0.000 2.307 196 Q HA 0.443 4.784 4.340 0.002 0.000 0.259 196 Q C -1.517 174.147 176.000 -0.559 0.000 0.998 196 Q CA -0.030 55.555 55.803 -0.363 0.000 0.923 196 Q CB 1.073 29.527 28.738 -0.474 0.000 1.196 196 Q HN 0.523 nan 8.270 nan 0.000 0.416 197 V N 6.417 126.015 119.914 -0.527 0.000 2.328 197 V HA 0.392 4.513 4.120 0.002 0.000 0.278 197 V C -0.700 175.084 176.094 -0.517 0.000 1.021 197 V CA -0.568 61.475 62.300 -0.428 0.000 0.838 197 V CB 0.241 31.937 31.823 -0.211 0.000 0.999 197 V HN 0.623 nan 8.190 nan 0.000 0.447 198 F N 2.597 122.435 119.950 -0.187 0.000 2.410 198 F HA 0.392 4.920 4.527 0.002 0.000 0.349 198 F C 0.532 176.194 175.800 -0.229 0.000 1.117 198 F CA -1.051 56.837 58.000 -0.186 0.000 1.104 198 F CB 1.011 39.910 39.000 -0.168 0.000 1.122 198 F HN 0.408 nan 8.300 nan 0.000 0.483 199 D N 2.912 123.311 120.400 -0.002 0.000 2.365 199 D HA 0.406 5.047 4.640 0.002 0.000 0.237 199 D C 0.131 176.310 176.300 -0.202 0.000 1.190 199 D CA 0.046 53.973 54.000 -0.121 0.000 0.867 199 D CB 1.204 41.966 40.800 -0.064 0.000 1.050 199 D HN 0.620 nan 8.370 nan 0.000 0.491 200 A N 4.491 127.016 122.820 -0.492 0.000 2.574 200 A HA 0.148 4.470 4.320 0.002 0.000 0.283 200 A C 1.640 178.905 177.584 -0.531 0.000 1.270 200 A CA -0.344 51.127 52.037 -0.943 0.000 0.945 200 A CB 0.062 18.007 19.000 -1.758 0.000 1.127 200 A HN 0.545 nan 8.150 nan 0.000 0.522 201 R N -0.054 120.282 120.500 -0.274 0.000 2.285 201 R HA -0.099 4.243 4.340 0.002 0.000 0.213 201 R C 0.782 177.033 176.300 -0.082 0.000 1.068 201 R CA 1.165 57.180 56.100 -0.142 0.000 1.004 201 R CB -0.068 30.209 30.300 -0.038 0.000 0.873 201 R HN 0.466 nan 8.270 nan 0.000 0.467 202 D N -0.067 120.308 120.400 -0.040 0.000 2.324 202 D HA -0.051 4.590 4.640 0.002 0.000 0.235 202 D C -0.630 175.744 176.300 0.124 0.000 1.095 202 D CA -0.010 54.027 54.000 0.061 0.000 0.871 202 D CB -0.068 40.801 40.800 0.115 0.000 0.906 202 D HN 0.079 nan 8.370 nan 0.000 0.522 203 C N 0.578 119.916 119.300 0.063 0.000 2.350 203 C HA 0.621 5.082 4.460 0.002 0.000 0.348 203 C C 1.234 176.330 174.990 0.176 0.000 1.260 203 C CA -0.023 59.094 59.018 0.164 0.000 1.966 203 C CB 0.231 28.060 27.740 0.148 0.000 2.380 203 C HN 0.391 nan 8.230 nan 0.000 0.535 204 S N 2.432 118.293 115.700 0.269 0.000 2.900 204 S HA 0.359 4.830 4.470 0.002 0.000 0.253 204 S C -0.173 174.597 174.600 0.283 0.000 1.029 204 S CA 0.196 58.594 58.200 0.331 0.000 1.096 204 S CB -0.349 62.978 63.200 0.212 0.000 1.067 204 S HN 1.393 nan 8.310 nan 0.000 0.610 205 S N -0.511 115.355 115.700 0.278 0.000 2.565 205 S HA 0.779 5.250 4.470 0.002 0.000 0.269 205 S C 0.828 175.516 174.600 0.147 0.000 1.153 205 S CA -0.324 57.979 58.200 0.171 0.000 0.835 205 S CB 0.890 64.170 63.200 0.133 0.000 1.122 205 S HN 0.649 nan 8.310 nan 0.000 0.462 206 A N 1.075 123.953 122.820 0.097 0.000 1.940 206 A HA -0.136 4.185 4.320 0.002 0.000 0.219 206 A C 2.102 179.646 177.584 -0.067 0.000 1.176 206 A CA 2.042 54.108 52.037 0.049 0.000 0.631 206 A CB -1.129 17.971 19.000 0.166 0.000 0.814 206 A HN 0.929 nan 8.150 nan 0.000 0.446 207 Q N -0.491 119.364 119.800 0.091 0.000 2.124 207 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 207 Q C 1.880 177.901 176.000 0.035 0.000 0.977 207 Q CA 1.809 57.648 55.803 0.060 0.000 0.850 207 Q CB -0.127 28.737 28.738 0.209 0.000 0.901 207 Q HN 0.799 nan 8.270 nan 0.000 0.429 208 E N -0.195 120.064 120.200 0.098 0.000 2.107 208 E HA -0.157 4.194 4.350 0.002 0.000 0.191 208 E C 2.052 178.807 176.600 0.258 0.000 0.982 208 E CA 1.086 57.583 56.400 0.162 0.000 0.809 208 E CB -0.022 29.818 29.700 0.233 0.000 0.756 208 E HN 0.438 nan 8.360 nan 0.000 0.459 209 M N -0.022 119.660 119.600 0.136 0.000 2.086 209 M HA -0.161 4.320 4.480 0.002 0.000 0.261 209 M C 2.176 178.505 176.300 0.048 0.000 1.067 209 M CA 1.445 56.758 55.300 0.022 0.000 1.116 209 M CB -0.315 32.067 32.600 -0.363 0.000 1.348 209 M HN 0.140 nan 8.290 nan 0.000 0.407 210 F N 0.859 120.603 119.950 -0.344 0.000 2.161 210 F HA -0.248 4.280 4.527 0.002 0.000 0.300 210 F C 2.221 177.918 175.800 -0.172 0.000 1.089 210 F CA 1.731 59.471 58.000 -0.432 0.000 1.282 210 F CB -0.155 38.243 39.000 -1.003 0.000 1.010 210 F HN 0.045 nan 8.300 nan 0.000 0.485 211 T N -0.507 113.924 114.554 -0.205 0.000 2.777 211 T HA -0.210 4.141 4.350 0.002 0.000 0.266 211 T C 1.525 176.077 174.700 -0.247 0.000 1.040 211 T CA 1.770 63.696 62.100 -0.290 0.000 1.141 211 T CB -0.659 68.088 68.868 -0.202 0.000 0.868 211 T HN 0.346 nan 8.240 nan 0.000 0.444 212 Y N 0.926 121.173 120.300 -0.088 0.000 2.145 212 Y HA -0.022 4.529 4.550 0.002 0.000 0.286 212 Y C 2.287 178.141 175.900 -0.077 0.000 1.145 212 Y CA 0.877 58.940 58.100 -0.063 0.000 1.148 212 Y CB -0.365 38.159 38.460 0.107 0.000 0.981 212 Y HN 0.145 nan 8.280 nan 0.000 0.507 213 I N -1.423 119.238 120.570 0.152 0.000 2.286 213 I HA -0.369 3.802 4.170 0.002 0.000 0.248 213 I C 2.226 178.286 176.117 -0.095 0.000 1.115 213 I CA 0.958 62.282 61.300 0.040 0.000 1.392 213 I CB -0.437 37.571 38.000 0.013 0.000 1.065 213 I HN 0.341 nan 8.210 nan 0.000 0.418 214 C N 0.598 119.730 119.300 -0.280 0.000 2.440 214 C HA -0.101 4.360 4.460 0.002 0.000 0.278 214 C C 2.580 177.471 174.990 -0.165 0.000 1.295 214 C CA 0.714 59.552 59.018 -0.299 0.000 1.738 214 C CB -1.331 26.099 27.740 -0.516 0.000 1.987 214 C HN 0.546 nan 8.230 nan 0.000 0.492 215 N N -0.103 118.489 118.700 -0.180 0.000 2.216 215 N HA -0.111 4.630 4.740 0.002 0.000 0.183 215 N C 1.436 176.858 175.510 -0.147 0.000 1.017 215 N CA 1.200 54.135 53.050 -0.192 0.000 0.861 215 N CB -0.730 37.569 38.487 -0.314 0.000 0.986 215 N HN 0.743 nan 8.380 nan 0.000 0.428 216 H N 0.902 119.837 119.070 -0.224 0.000 2.290 216 H HA 0.037 4.594 4.556 0.002 0.000 0.298 216 H C 2.133 177.506 175.328 0.074 0.000 1.087 216 H CA 1.646 57.644 56.048 -0.083 0.000 1.291 216 H CB -0.051 29.710 29.762 -0.003 0.000 1.369 216 H HN 0.070 nan 8.280 nan 0.000 0.492 217 I N 0.708 121.438 120.570 0.266 0.000 2.163 217 I HA -0.290 3.881 4.170 0.002 0.000 0.243 217 I C 2.411 178.607 176.117 0.132 0.000 1.085 217 I CA 1.541 62.955 61.300 0.189 0.000 1.347 217 I CB -0.314 37.720 38.000 0.056 0.000 1.044 217 I HN 0.346 nan 8.210 nan 0.000 0.408 218 K N 0.058 120.502 120.400 0.073 0.000 2.009 218 K HA -0.264 4.057 4.320 0.002 0.000 0.210 218 K C 2.246 178.896 176.600 0.083 0.000 1.049 218 K CA 2.040 58.358 56.287 0.051 0.000 0.929 218 K CB -0.561 31.949 32.500 0.016 0.000 0.714 218 K HN 0.276 nan 8.250 nan 0.000 0.440 219 Y N 1.456 121.764 120.300 0.014 0.000 2.114 219 Y HA -0.262 4.289 4.550 0.002 0.000 0.284 219 Y C 2.325 178.275 175.900 0.083 0.000 1.143 219 Y CA 1.643 59.779 58.100 0.060 0.000 1.135 219 Y CB -0.411 38.122 38.460 0.121 0.000 0.980 219 Y HN 0.069 nan 8.280 nan 0.000 0.499 220 A N -0.652 122.308 122.820 0.234 0.000 1.902 220 A HA -0.188 4.133 4.320 0.002 0.000 0.217 220 A C 2.211 179.842 177.584 0.079 0.000 1.181 220 A CA 2.336 54.473 52.037 0.167 0.000 0.623 220 A CB -1.359 17.803 19.000 0.270 0.000 0.818 220 A HN 0.537 nan 8.150 nan 0.000 0.443 221 T N -0.374 114.230 114.554 0.084 0.000 2.737 221 T HA -0.125 4.227 4.350 0.002 0.000 0.265 221 T C 1.040 175.743 174.700 0.004 0.000 1.038 221 T CA 1.041 63.181 62.100 0.066 0.000 1.144 221 T CB -0.536 68.372 68.868 0.066 0.000 0.866 221 T HN 0.746 nan 8.240 nan 0.000 0.434 222 N N 0.962 119.633 118.700 -0.048 0.000 2.714 222 N HA -0.285 4.456 4.740 0.002 0.000 0.252 222 N C -0.602 174.878 175.510 -0.050 0.000 1.014 222 N CA 0.236 53.233 53.050 -0.088 0.000 0.735 222 N CB -0.551 37.839 38.487 -0.162 0.000 0.924 222 N HN 0.440 nan 8.380 nan 0.000 0.540 223 R N -2.162 118.323 120.500 -0.026 0.000 3.641 223 R HA -0.243 4.098 4.340 0.002 0.000 0.286 223 R C 1.203 177.488 176.300 -0.025 0.000 1.153 223 R CA 1.082 57.169 56.100 -0.023 0.000 0.775 223 R CB -2.098 28.185 30.300 -0.028 0.000 1.215 223 R HN 0.841 nan 8.270 nan 0.000 0.474 224 G N -0.156 108.637 108.800 -0.012 0.000 2.232 224 G HA2 -0.341 3.620 3.960 0.002 0.000 0.226 224 G HA3 -0.341 3.620 3.960 0.002 0.000 0.226 224 G C -0.064 174.827 174.900 -0.014 0.000 0.996 224 G CA 0.131 45.225 45.100 -0.010 0.000 0.626 224 G HN 0.493 nan 8.290 nan 0.000 0.509 225 N N 1.092 119.772 118.700 -0.034 0.000 3.229 225 N HA 0.447 5.188 4.740 0.002 0.000 0.275 225 N C 0.201 175.685 175.510 -0.045 0.000 1.225 225 N CA -0.736 52.277 53.050 -0.062 0.000 1.119 225 N CB -0.062 38.382 38.487 -0.073 0.000 1.392 225 N HN 0.121 nan 8.380 nan 0.000 0.520 226 L N 2.286 123.514 121.223 0.008 0.000 2.543 226 L HA 0.045 4.386 4.340 0.002 0.000 0.285 226 L C 0.655 177.629 176.870 0.173 0.000 1.236 226 L CA 1.055 55.967 54.840 0.120 0.000 0.871 226 L CB 0.170 42.392 42.059 0.272 0.000 1.121 226 L HN 0.371 nan 8.230 nan 0.000 0.501 227 R N 1.448 122.059 120.500 0.185 0.000 2.575 227 R HA 0.432 4.773 4.340 0.002 0.000 0.293 227 R C -0.613 175.857 176.300 0.283 0.000 0.983 227 R CA -0.688 55.547 56.100 0.226 0.000 0.887 227 R CB 1.671 31.968 30.300 -0.004 0.000 1.184 227 R HN 0.567 nan 8.270 nan 0.000 0.445 228 S N 1.544 117.423 115.700 0.299 0.000 2.549 228 S HA 0.408 4.879 4.470 0.002 0.000 0.286 228 S C -0.201 174.455 174.600 0.093 0.000 1.314 228 S CA -0.130 58.138 58.200 0.113 0.000 1.062 228 S CB 1.061 64.280 63.200 0.031 0.000 0.865 228 S HN 0.696 nan 8.310 nan 0.000 0.498 229 A N 2.839 125.670 122.820 0.018 0.000 2.606 229 A HA 0.840 5.161 4.320 0.002 0.000 0.293 229 A C -1.229 176.384 177.584 0.048 0.000 1.082 229 A CA -0.667 51.322 52.037 -0.080 0.000 0.685 229 A CB 1.228 20.114 19.000 -0.191 0.000 1.284 229 A HN 0.792 nan 8.150 nan 0.000 0.408 230 I N 0.251 120.847 120.570 0.042 0.000 2.722 230 I HA 0.651 4.822 4.170 0.002 0.000 0.295 230 I C -1.213 175.029 176.117 0.208 0.000 1.161 230 I CA -0.150 61.298 61.300 0.248 0.000 1.032 230 I CB 2.470 40.559 38.000 0.149 0.000 1.244 230 I HN 0.626 nan 8.210 nan 0.000 0.421 231 T N 5.942 120.637 114.554 0.236 0.000 2.812 231 T HA 0.495 4.846 4.350 0.002 0.000 0.282 231 T C -0.905 173.603 174.700 -0.321 0.000 0.990 231 T CA -0.387 61.703 62.100 -0.016 0.000 0.960 231 T CB 1.728 70.572 68.868 -0.040 0.000 0.948 231 T HN 0.259 nan 8.240 nan 0.000 0.438 232 V N 4.754 124.393 119.914 -0.458 0.000 2.334 232 V HA 0.495 4.616 4.120 0.002 0.000 0.281 232 V C -0.530 175.215 176.094 -0.582 0.000 1.016 232 V CA -0.839 61.191 62.300 -0.451 0.000 0.832 232 V CB 0.166 31.709 31.823 -0.466 0.000 0.999 232 V HN 0.721 nan 8.190 nan 0.000 0.439 233 F N 4.941 124.797 119.950 -0.156 0.000 2.368 233 F HA 0.512 5.040 4.527 0.002 0.000 0.315 233 F C -1.808 173.880 175.800 -0.186 0.000 1.145 233 F CA -2.503 55.335 58.000 -0.270 0.000 1.095 233 F CB 0.172 39.021 39.000 -0.251 0.000 1.286 233 F HN 0.291 nan 8.300 nan 0.000 0.530 234 P HA -0.047 nan 4.420 nan 0.000 0.263 234 P C -0.874 176.433 177.300 0.012 0.000 1.175 234 P CA 0.027 63.013 63.100 -0.190 0.000 0.761 234 P CB 0.170 31.527 31.700 -0.571 0.000 0.794 235 Q N 3.681 123.466 119.800 -0.025 0.000 2.584 235 Q HA 0.136 4.477 4.340 0.002 0.000 0.235 235 Q C -0.207 175.695 176.000 -0.163 0.000 1.079 235 Q CA -0.249 55.318 55.803 -0.392 0.000 0.977 235 Q CB 0.531 28.755 28.738 -0.856 0.000 1.293 235 Q HN 0.353 nan 8.270 nan 0.000 0.553 236 R N -0.170 120.203 120.500 -0.213 0.000 2.641 236 R HA 0.503 4.844 4.340 0.002 0.000 0.269 236 R C -0.694 175.547 176.300 -0.098 0.000 1.074 236 R CA 0.189 56.240 56.100 -0.082 0.000 1.133 236 R CB 0.770 31.014 30.300 -0.093 0.000 1.029 236 R HN 0.725 nan 8.270 nan 0.000 0.488 237 A N 3.309 126.111 122.820 -0.029 0.000 2.449 237 A HA 0.517 4.838 4.320 0.002 0.000 0.302 237 A C -2.545 175.030 177.584 -0.015 0.000 1.048 237 A CA -2.034 49.988 52.037 -0.025 0.000 0.708 237 A CB 1.475 20.490 19.000 0.024 0.000 1.274 237 A HN 0.401 nan 8.150 nan 0.000 0.410 238 P HA 0.209 nan 4.420 nan 0.000 0.261 238 P C 1.157 178.457 177.300 -0.000 0.000 1.173 238 P CA 2.221 65.314 63.100 -0.011 0.000 0.760 238 P CB 0.537 32.232 31.700 -0.008 0.000 0.783 239 G N 2.063 110.862 108.800 -0.002 0.000 2.205 239 G HA2 -0.316 3.645 3.960 0.002 0.000 0.269 239 G HA3 -0.316 3.645 3.960 0.002 0.000 0.269 239 G C 0.379 175.281 174.900 0.003 0.000 0.977 239 G CA 0.124 45.224 45.100 0.001 0.000 0.652 239 G HN 0.712 nan 8.290 nan 0.000 0.539 240 R N 0.427 120.929 120.500 0.004 0.000 2.732 240 R HA 0.578 4.919 4.340 0.002 0.000 0.278 240 R C 0.890 177.188 176.300 -0.004 0.000 0.976 240 R CA -0.010 56.092 56.100 0.003 0.000 0.963 240 R CB 0.880 31.189 30.300 0.016 0.000 1.150 240 R HN 0.274 nan 8.270 nan 0.000 0.478 241 G N 1.612 110.400 108.800 -0.020 0.000 2.594 241 G HA2 0.058 4.019 3.960 0.002 0.000 0.243 241 G HA3 0.058 4.019 3.960 0.002 0.000 0.243 241 G C -0.603 174.279 174.900 -0.030 0.000 1.229 241 G CA -0.405 44.679 45.100 -0.025 0.000 0.843 241 G HN 0.597 nan 8.290 nan 0.000 0.578 242 D N -0.439 119.962 120.400 0.003 0.000 2.312 242 D HA 0.324 4.966 4.640 0.002 0.000 0.248 242 D C -0.223 176.105 176.300 0.046 0.000 1.086 242 D CA 0.090 54.129 54.000 0.065 0.000 0.948 242 D CB 0.983 41.830 40.800 0.078 0.000 1.162 242 D HN 0.099 nan 8.370 nan 0.000 0.446 243 F N 1.208 121.185 119.950 0.045 0.000 2.410 243 F HA 0.348 4.877 4.527 0.002 0.000 0.348 243 F C 1.034 176.862 175.800 0.048 0.000 1.106 243 F CA -0.011 58.005 58.000 0.026 0.000 1.163 243 F CB 0.717 39.727 39.000 0.017 0.000 1.129 243 F HN -0.183 nan 8.300 nan 0.000 0.516 244 R N 3.489 124.112 120.500 0.205 0.000 2.707 244 R HA 0.520 4.861 4.340 0.002 0.000 0.272 244 R C -1.399 175.035 176.300 0.225 0.000 1.011 244 R CA -0.852 55.379 56.100 0.217 0.000 0.893 244 R CB 2.276 32.732 30.300 0.259 0.000 1.233 244 R HN 0.614 nan 8.270 nan 0.000 0.464 245 I N 1.754 122.449 120.570 0.209 0.000 2.354 245 I HA 0.167 4.338 4.170 0.002 0.000 0.286 245 I C 0.480 176.798 176.117 0.334 0.000 1.007 245 I CA -0.455 60.960 61.300 0.192 0.000 1.167 245 I CB 1.185 39.241 38.000 0.094 0.000 1.320 245 I HN 0.526 nan 8.210 nan 0.000 0.458 246 W N 3.578 124.922 121.300 0.075 0.000 2.374 246 W HA -0.104 4.558 4.660 0.002 0.000 0.288 246 W C 1.010 177.643 176.519 0.189 0.000 1.218 246 W CA 0.202 57.664 57.345 0.195 0.000 1.245 246 W CB -0.836 28.724 29.460 0.166 0.000 1.126 246 W HN 0.413 nan 8.180 nan 0.000 0.545 247 N N -0.093 118.771 118.700 0.273 0.000 2.453 247 N HA 0.010 4.751 4.740 0.002 0.000 0.253 247 N C 1.318 176.892 175.510 0.107 0.000 1.252 247 N CA 0.889 54.021 53.050 0.137 0.000 0.917 247 N CB 0.642 39.148 38.487 0.031 0.000 1.117 247 N HN -0.094 nan 8.380 nan 0.000 0.442 248 S N 0.160 115.912 115.700 0.085 0.000 2.446 248 S HA 0.027 4.498 4.470 0.002 0.000 0.225 248 S C 0.326 174.921 174.600 -0.007 0.000 1.016 248 S CA 0.491 58.729 58.200 0.063 0.000 0.943 248 S CB 0.119 63.378 63.200 0.098 0.000 0.786 248 S HN 0.632 nan 8.310 nan 0.000 0.508 249 Q N -0.641 119.138 119.800 -0.034 0.000 2.421 249 Q HA 0.500 4.841 4.340 0.002 0.000 0.280 249 Q C 0.124 176.039 176.000 -0.142 0.000 1.085 249 Q CA -0.556 55.187 55.803 -0.100 0.000 0.807 249 Q CB 2.007 30.715 28.738 -0.050 0.000 1.405 249 Q HN 0.123 nan 8.270 nan 0.000 0.419 250 L N 0.140 121.253 121.223 -0.184 0.000 2.141 250 L HA 0.027 4.369 4.340 0.002 0.000 0.209 250 L C 0.344 177.070 176.870 -0.241 0.000 1.094 250 L CA 0.827 55.560 54.840 -0.178 0.000 0.763 250 L CB 0.155 42.104 42.059 -0.183 0.000 0.908 250 L HN 0.255 nan 8.230 nan 0.000 0.437 251 V N 0.833 120.511 119.914 -0.393 0.000 2.444 251 V HA 0.487 4.608 4.120 0.002 0.000 0.294 251 V C -0.291 175.253 176.094 -0.917 0.000 1.022 251 V CA -0.685 61.213 62.300 -0.670 0.000 0.850 251 V CB 1.751 33.034 31.823 -0.900 0.000 0.992 251 V HN 0.180 nan 8.190 nan 0.000 0.426 252 R N 2.784 122.893 120.500 -0.652 0.000 2.707 252 R HA 0.519 4.860 4.340 0.002 0.000 0.272 252 R C -1.907 174.190 176.300 -0.338 0.000 1.011 252 R CA -0.855 54.984 56.100 -0.434 0.000 0.893 252 R CB 2.459 32.660 30.300 -0.165 0.000 1.233 252 R HN 0.545 nan 8.270 nan 0.000 0.464 253 Y N 0.414 120.699 120.300 -0.026 0.000 2.323 253 Y HA 0.428 4.979 4.550 0.002 0.000 0.331 253 Y C 0.909 176.760 175.900 -0.082 0.000 1.092 253 Y CA -0.684 57.403 58.100 -0.021 0.000 1.150 253 Y CB 1.287 39.778 38.460 0.051 0.000 1.200 253 Y HN 0.713 nan 8.280 nan 0.000 0.472 254 A N 1.780 124.616 122.820 0.025 0.000 2.448 254 A HA 0.530 4.851 4.320 0.002 0.000 0.239 254 A C 0.613 177.956 177.584 -0.402 0.000 1.080 254 A CA 0.348 52.237 52.037 -0.247 0.000 0.779 254 A CB -0.248 18.530 19.000 -0.370 0.000 1.026 254 A HN 0.957 nan 8.150 nan 0.000 0.499 255 G N 0.423 108.959 108.800 -0.440 0.000 2.782 255 G HA2 0.544 4.505 3.960 0.002 0.000 0.289 255 G HA3 0.544 4.505 3.960 0.002 0.000 0.289 255 G C -1.067 173.663 174.900 -0.283 0.000 1.463 255 G CA -0.274 44.630 45.100 -0.327 0.000 1.019 255 G HN 0.553 nan 8.290 nan 0.000 0.536 256 Y N 2.190 122.499 120.300 0.014 0.000 2.335 256 Y HA 0.432 4.983 4.550 0.002 0.000 0.339 256 Y C 1.113 177.010 175.900 -0.004 0.000 0.987 256 Y CA -1.134 56.977 58.100 0.018 0.000 1.140 256 Y CB 1.352 39.822 38.460 0.017 0.000 1.173 256 Y HN 0.193 nan 8.280 nan 0.000 0.486 257 R N 3.713 124.301 120.500 0.146 0.000 2.442 257 R HA 0.180 4.521 4.340 0.002 0.000 0.291 257 R C -0.407 175.935 176.300 0.071 0.000 1.069 257 R CA -0.076 56.072 56.100 0.079 0.000 1.022 257 R CB 0.713 31.047 30.300 0.056 0.000 0.976 257 R HN 0.773 nan 8.270 nan 0.000 0.443 258 Q N 1.426 121.253 119.800 0.045 0.000 2.378 258 Q HA 0.076 4.417 4.340 0.002 0.000 0.276 258 Q C 1.104 177.112 176.000 0.014 0.000 1.083 258 Q CA -0.881 54.938 55.803 0.026 0.000 0.856 258 Q CB 1.680 30.431 28.738 0.021 0.000 1.383 258 Q HN 0.558 nan 8.270 nan 0.000 0.458 259 Q N 1.465 121.267 119.800 0.004 0.000 2.096 259 Q HA -0.309 4.032 4.340 0.002 0.000 0.218 259 Q C 0.319 176.322 176.000 0.004 0.000 1.069 259 Q CA 2.594 58.398 55.803 0.001 0.000 0.927 259 Q CB -1.173 27.562 28.738 -0.004 0.000 1.064 259 Q HN 0.907 nan 8.270 nan 0.000 0.445 260 D N 0.036 120.438 120.400 0.005 0.000 2.870 260 D HA 0.226 4.867 4.640 0.002 0.000 0.241 260 D C 1.081 177.386 176.300 0.009 0.000 1.234 260 D CA 0.540 54.544 54.000 0.006 0.000 0.844 260 D CB -0.180 40.622 40.800 0.004 0.000 1.051 260 D HN 0.699 nan 8.370 nan 0.000 0.469 261 G N 0.987 109.794 108.800 0.011 0.000 2.322 261 G HA2 -0.403 3.558 3.960 0.002 0.000 0.264 261 G HA3 -0.403 3.558 3.960 0.002 0.000 0.264 261 G C 0.685 175.593 174.900 0.014 0.000 0.992 261 G CA 0.873 45.981 45.100 0.014 0.000 0.624 261 G HN 0.788 nan 8.290 nan 0.000 0.543 262 S N -1.031 114.675 115.700 0.011 0.000 2.612 262 S HA 0.595 5.066 4.470 0.002 0.000 0.253 262 S C 0.096 174.701 174.600 0.007 0.000 1.346 262 S CA 0.285 58.489 58.200 0.007 0.000 0.976 262 S CB 1.919 65.122 63.200 0.005 0.000 0.949 262 S HN 1.238 nan 8.310 nan 0.000 0.584 263 V N 0.731 120.640 119.914 -0.009 0.000 2.733 263 V HA 0.519 4.640 4.120 0.002 0.000 0.306 263 V C -0.229 175.839 176.094 -0.043 0.000 1.084 263 V CA -0.791 61.499 62.300 -0.017 0.000 0.905 263 V CB 1.786 33.582 31.823 -0.044 0.000 1.010 263 V HN 0.944 nan 8.190 nan 0.000 0.424 264 R N 2.539 123.042 120.500 0.006 0.000 2.255 264 R HA 0.692 5.033 4.340 0.002 0.000 0.326 264 R C 0.595 176.846 176.300 -0.082 0.000 0.986 264 R CA 0.949 57.050 56.100 0.002 0.000 0.847 264 R CB 1.082 31.453 30.300 0.119 0.000 1.111 264 R HN 1.261 nan 8.270 nan 0.000 0.452 265 G N 2.972 111.617 108.800 -0.259 0.000 2.464 265 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 265 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 265 G C -1.341 173.136 174.900 -0.705 0.000 1.186 265 G CA -0.131 44.723 45.100 -0.409 0.000 1.010 265 G HN 0.614 nan 8.290 nan 0.000 0.585 266 D N 1.698 121.855 120.400 -0.406 0.000 2.396 266 D HA 0.577 5.218 4.640 0.002 0.000 0.225 266 D C -1.138 175.071 176.300 -0.151 0.000 1.121 266 D CA -1.982 51.844 54.000 -0.289 0.000 0.853 266 D CB 1.520 42.443 40.800 0.205 0.000 1.043 266 D HN -0.023 nan 8.370 nan 0.000 0.500 267 P HA -0.107 nan 4.420 nan 0.000 0.220 267 P C 0.830 178.140 177.300 0.017 0.000 1.144 267 P CA 0.912 63.977 63.100 -0.058 0.000 0.800 267 P CB 0.319 31.994 31.700 -0.041 0.000 0.772 268 A N -0.714 122.137 122.820 0.052 0.000 2.066 268 A HA -0.083 4.238 4.320 0.002 0.000 0.218 268 A C 1.608 179.244 177.584 0.085 0.000 1.157 268 A CA 1.172 53.270 52.037 0.101 0.000 0.670 268 A CB -0.738 18.348 19.000 0.142 0.000 0.804 268 A HN 0.144 nan 8.150 nan 0.000 0.453 269 N N -0.234 118.496 118.700 0.051 0.000 2.238 269 N HA 0.133 4.875 4.740 0.002 0.000 0.222 269 N C 1.148 176.646 175.510 -0.020 0.000 1.133 269 N CA 0.183 53.246 53.050 0.023 0.000 0.854 269 N CB 0.596 39.092 38.487 0.015 0.000 1.041 269 N HN 0.196 nan 8.380 nan 0.000 0.510 270 V N 1.156 121.064 119.914 -0.010 0.000 2.233 270 V HA -0.265 3.856 4.120 0.002 0.000 0.247 270 V C 2.442 178.531 176.094 -0.009 0.000 1.050 270 V CA 1.867 64.160 62.300 -0.011 0.000 1.010 270 V CB -0.345 31.484 31.823 0.010 0.000 0.637 270 V HN 0.378 nan 8.190 nan 0.000 0.444 271 E N -0.430 119.767 120.200 -0.005 0.000 2.058 271 E HA -0.283 4.068 4.350 0.002 0.000 0.194 271 E C 2.132 178.644 176.600 -0.147 0.000 0.997 271 E CA 1.957 58.326 56.400 -0.052 0.000 0.801 271 E CB -0.200 29.500 29.700 0.001 0.000 0.746 271 E HN 0.502 nan 8.360 nan 0.000 0.450 272 I N 0.641 121.135 120.570 -0.127 0.000 2.315 272 I HA -0.200 3.971 4.170 0.002 0.000 0.248 272 I C 2.076 178.131 176.117 -0.104 0.000 1.117 272 I CA 1.521 62.723 61.300 -0.163 0.000 1.404 272 I CB -0.366 37.591 38.000 -0.072 0.000 1.071 272 I HN 0.071 nan 8.210 nan 0.000 0.419 273 T N 0.487 115.003 114.554 -0.063 0.000 2.746 273 T HA -0.180 4.171 4.350 0.002 0.000 0.267 273 T C 1.730 176.495 174.700 0.108 0.000 1.039 273 T CA 1.851 63.950 62.100 -0.001 0.000 1.142 273 T CB -0.270 68.591 68.868 -0.012 0.000 0.866 273 T HN 0.491 nan 8.240 nan 0.000 0.444 274 E N 0.687 120.923 120.200 0.060 0.000 2.106 274 E HA -0.021 4.330 4.350 0.002 0.000 0.192 274 E C 2.243 178.879 176.600 0.059 0.000 0.984 274 E CA 0.726 57.171 56.400 0.075 0.000 0.806 274 E CB -0.265 29.453 29.700 0.029 0.000 0.750 274 E HN 0.413 nan 8.360 nan 0.000 0.458 275 L N 0.462 121.680 121.223 -0.008 0.000 2.046 275 L HA -0.228 4.113 4.340 0.002 0.000 0.208 275 L C 2.604 179.568 176.870 0.156 0.000 1.077 275 L CA 0.806 55.677 54.840 0.051 0.000 0.747 275 L CB -0.435 41.585 42.059 -0.065 0.000 0.896 275 L HN 0.316 nan 8.230 nan 0.000 0.432 276 C N -0.022 119.327 119.300 0.081 0.000 2.432 276 C HA -0.159 4.302 4.460 0.002 0.000 0.277 276 C C 2.714 177.872 174.990 0.279 0.000 1.249 276 C CA 0.469 59.544 59.018 0.096 0.000 1.725 276 C CB -0.674 27.007 27.740 -0.098 0.000 2.028 276 C HN 0.427 nan 8.230 nan 0.000 0.477 277 I N 0.400 121.175 120.570 0.341 0.000 2.286 277 I HA -0.271 3.900 4.170 0.002 0.000 0.248 277 I C 2.735 178.930 176.117 0.130 0.000 1.115 277 I CA 1.565 63.035 61.300 0.282 0.000 1.392 277 I CB -0.632 37.499 38.000 0.219 0.000 1.065 277 I HN 0.449 nan 8.210 nan 0.000 0.418 278 Q N 0.185 120.038 119.800 0.088 0.000 2.124 278 Q HA -0.194 4.147 4.340 0.002 0.000 0.202 278 Q C 1.424 177.348 176.000 -0.127 0.000 0.977 278 Q CA 1.263 57.047 55.803 -0.031 0.000 0.850 278 Q CB 0.099 28.804 28.738 -0.055 0.000 0.901 278 Q HN 0.538 nan 8.270 nan 0.000 0.429 279 H N -1.587 117.476 119.070 -0.011 0.000 2.660 279 H HA 0.197 4.754 4.556 0.002 0.000 0.310 279 H C 0.590 175.899 175.328 -0.033 0.000 1.080 279 H CA 0.623 56.638 56.048 -0.054 0.000 1.145 279 H CB 0.402 30.089 29.762 -0.126 0.000 1.432 279 H HN 0.531 nan 8.280 nan 0.000 0.542 280 G N 0.763 109.600 108.800 0.063 0.000 2.157 280 G HA2 -0.255 3.706 3.960 0.002 0.000 0.248 280 G HA3 -0.255 3.706 3.960 0.002 0.000 0.248 280 G C -0.055 174.912 174.900 0.112 0.000 0.979 280 G CA 0.058 45.186 45.100 0.047 0.000 0.650 280 G HN 0.455 nan 8.290 nan 0.000 0.529 281 W N 2.075 123.357 121.300 -0.029 0.000 2.272 281 W HA 0.651 5.312 4.660 0.002 0.000 0.318 281 W C 0.257 176.770 176.519 -0.010 0.000 1.255 281 W CA 0.046 57.378 57.345 -0.022 0.000 1.200 281 W CB 0.928 30.386 29.460 -0.003 0.000 1.170 281 W HN 0.040 nan 8.180 nan 0.000 0.549 282 T N 9.420 123.596 114.554 -0.629 0.000 2.794 282 T HA 0.190 4.541 4.350 0.002 0.000 0.304 282 T C -2.146 171.760 174.700 -1.323 0.000 0.973 282 T CA -0.926 60.770 62.100 -0.675 0.000 0.972 282 T CB 0.289 68.925 68.868 -0.387 0.000 0.952 282 T HN 0.214 nan 8.240 nan 0.000 0.509 283 P HA 0.254 nan 4.420 nan 0.000 0.271 283 P C 0.454 177.341 177.300 -0.688 0.000 1.218 283 P CA -0.207 62.145 63.100 -1.247 0.000 0.780 283 P CB 0.955 32.342 31.700 -0.522 0.000 0.901 284 G N 1.691 110.258 108.800 -0.388 0.000 2.574 284 G HA2 0.246 4.207 3.960 0.002 0.000 0.248 284 G HA3 0.246 4.207 3.960 0.002 0.000 0.248 284 G C 0.338 175.005 174.900 -0.388 0.000 1.422 284 G CA -0.516 44.474 45.100 -0.184 0.000 1.051 284 G HN 0.715 nan 8.290 nan 0.000 0.560 285 N N -0.630 117.966 118.700 -0.172 0.000 2.471 285 N HA 0.186 4.927 4.740 0.002 0.000 0.270 285 N C 0.283 175.825 175.510 0.054 0.000 1.490 285 N CA 0.008 52.925 53.050 -0.222 0.000 0.850 285 N CB 0.546 38.910 38.487 -0.205 0.000 1.411 285 N HN 0.646 nan 8.380 nan 0.000 0.488 286 G N 0.428 109.360 108.800 0.221 0.000 2.552 286 G HA2 0.391 4.352 3.960 0.002 0.000 0.318 286 G HA3 0.391 4.352 3.960 0.002 0.000 0.318 286 G C 0.516 175.521 174.900 0.175 0.000 1.240 286 G CA -0.643 44.572 45.100 0.192 0.000 1.002 286 G HN 0.127 nan 8.290 nan 0.000 0.493 287 R N -1.303 119.227 120.500 0.050 0.000 2.223 287 R HA 0.142 4.483 4.340 0.002 0.000 0.198 287 R C -0.085 175.815 176.300 -0.666 0.000 0.984 287 R CA 0.642 56.583 56.100 -0.264 0.000 1.018 287 R CB 0.188 30.292 30.300 -0.326 0.000 0.945 287 R HN 0.390 nan 8.270 nan 0.000 0.479 288 F N 0.989 120.868 119.950 -0.118 0.000 2.679 288 F HA 0.261 4.789 4.527 0.002 0.000 0.354 288 F C -0.691 175.039 175.800 -0.117 0.000 1.423 288 F CA -1.102 56.563 58.000 -0.557 0.000 1.141 288 F CB 0.593 39.079 39.000 -0.856 0.000 1.168 288 F HN -0.291 nan 8.300 nan 0.000 0.530 289 D N 1.720 122.260 120.400 0.232 0.000 2.339 289 D HA 0.166 4.807 4.640 0.002 0.000 0.241 289 D C 0.266 176.798 176.300 0.386 0.000 1.183 289 D CA 0.139 54.348 54.000 0.349 0.000 0.859 289 D CB 2.055 43.118 40.800 0.439 0.000 1.067 289 D HN -0.048 nan 8.370 nan 0.000 0.484 290 V N 3.839 123.963 119.914 0.350 0.000 2.540 290 V HA -0.041 4.080 4.120 0.002 0.000 0.297 290 V C 1.074 177.172 176.094 0.007 0.000 1.024 290 V CA -0.070 62.319 62.300 0.149 0.000 1.105 290 V CB 0.170 32.039 31.823 0.076 0.000 0.938 290 V HN 0.338 nan 8.190 nan 0.000 0.482 291 L N 8.051 129.176 121.223 -0.163 0.000 2.466 291 L HA 0.389 4.730 4.340 0.002 0.000 0.257 291 L C -1.710 174.920 176.870 -0.400 0.000 1.189 291 L CA -1.326 53.267 54.840 -0.412 0.000 0.813 291 L CB 0.760 42.594 42.059 -0.376 0.000 1.118 291 L HN 0.499 nan 8.230 nan 0.000 0.471 292 P HA 0.320 nan 4.420 nan 0.000 0.283 292 P C -1.301 175.849 177.300 -0.250 0.000 1.278 292 P CA -0.617 62.252 63.100 -0.386 0.000 0.834 292 P CB 1.246 32.608 31.700 -0.564 0.000 1.150 293 L N 0.689 121.856 121.223 -0.093 0.000 2.325 293 L HA 0.426 4.767 4.340 0.002 0.000 0.279 293 L C 0.372 177.226 176.870 -0.025 0.000 1.054 293 L CA -0.784 54.043 54.840 -0.022 0.000 0.804 293 L CB 0.698 42.810 42.059 0.088 0.000 1.200 293 L HN 0.192 nan 8.230 nan 0.000 0.436 294 L N 5.055 126.242 121.223 -0.059 0.000 2.301 294 L HA 0.473 4.814 4.340 0.002 0.000 0.278 294 L C -0.676 176.108 176.870 -0.143 0.000 1.022 294 L CA -0.253 54.472 54.840 -0.191 0.000 0.854 294 L CB 1.044 42.915 42.059 -0.313 0.000 1.226 294 L HN 0.451 nan 8.230 nan 0.000 0.429 295 L N 3.792 124.971 121.223 -0.072 0.000 2.317 295 L HA 0.508 4.849 4.340 0.002 0.000 0.281 295 L C -0.253 176.545 176.870 -0.121 0.000 1.024 295 L CA -0.396 54.410 54.840 -0.055 0.000 0.810 295 L CB 1.888 43.921 42.059 -0.044 0.000 1.240 295 L HN 0.562 nan 8.230 nan 0.000 0.427 296 Q N 2.442 122.192 119.800 -0.082 0.000 2.325 296 Q HA 0.656 4.997 4.340 0.002 0.000 0.270 296 Q C -1.065 174.874 176.000 -0.102 0.000 1.020 296 Q CA -0.586 55.164 55.803 -0.087 0.000 0.785 296 Q CB 2.136 30.889 28.738 0.025 0.000 1.259 296 Q HN 0.784 nan 8.270 nan 0.000 0.452 297 A N 5.018 127.734 122.820 -0.173 0.000 2.302 297 A HA 0.611 4.932 4.320 0.002 0.000 0.285 297 A C -2.392 174.938 177.584 -0.424 0.000 1.105 297 A CA -1.614 50.184 52.037 -0.399 0.000 0.816 297 A CB 0.120 18.984 19.000 -0.225 0.000 1.067 297 A HN 0.631 nan 8.150 nan 0.000 0.489 298 P HA -0.027 nan 4.420 nan 0.000 0.259 298 P C -0.550 176.641 177.300 -0.182 0.000 1.163 298 P CA 0.969 63.838 63.100 -0.384 0.000 0.760 298 P CB 0.087 31.541 31.700 -0.411 0.000 0.762 299 D N 0.029 120.373 120.400 -0.094 0.000 2.882 299 D HA -0.182 4.459 4.640 0.002 0.000 0.229 299 D C 0.002 176.283 176.300 -0.032 0.000 1.167 299 D CA 1.309 55.286 54.000 -0.038 0.000 0.759 299 D CB -0.511 40.269 40.800 -0.032 0.000 1.088 299 D HN 0.457 nan 8.370 nan 0.000 0.425 300 E N -0.626 119.545 120.200 -0.047 0.000 2.277 300 E HA 0.673 5.024 4.350 0.002 0.000 0.266 300 E C 0.084 176.663 176.600 -0.035 0.000 0.901 300 E CA -0.746 55.629 56.400 -0.042 0.000 0.782 300 E CB 1.701 31.361 29.700 -0.065 0.000 1.228 300 E HN 0.136 nan 8.360 nan 0.000 0.424 301 A N 3.245 126.047 122.820 -0.031 0.000 2.466 301 A HA 0.332 4.653 4.320 0.002 0.000 0.238 301 A C -1.970 175.500 177.584 -0.191 0.000 1.074 301 A CA -0.785 51.222 52.037 -0.050 0.000 0.774 301 A CB -0.552 18.451 19.000 0.006 0.000 1.015 301 A HN 0.300 nan 8.150 nan 0.000 0.498 302 P HA 0.188 nan 4.420 nan 0.000 0.272 302 P C -0.654 176.364 177.300 -0.470 0.000 1.223 302 P CA 0.119 62.827 63.100 -0.654 0.000 0.784 302 P CB 0.713 31.524 31.700 -1.483 0.000 0.923 303 E N 0.651 120.669 120.200 -0.303 0.000 2.195 303 E HA 0.423 4.774 4.350 0.002 0.000 0.271 303 E C -0.752 175.637 176.600 -0.352 0.000 0.923 303 E CA -1.068 55.165 56.400 -0.278 0.000 0.790 303 E CB 1.500 31.114 29.700 -0.145 0.000 1.155 303 E HN 0.282 nan 8.360 nan 0.000 0.402 304 L N 3.091 124.008 121.223 -0.510 0.000 2.292 304 L HA 0.444 4.785 4.340 0.002 0.000 0.284 304 L C -1.582 174.806 176.870 -0.803 0.000 1.065 304 L CA 0.170 54.742 54.840 -0.447 0.000 0.806 304 L CB 0.164 42.064 42.059 -0.265 0.000 1.175 304 L HN 0.408 nan 8.230 nan 0.000 0.431 305 F N 4.126 123.876 119.950 -0.334 0.000 2.557 305 F HA 0.451 4.979 4.527 0.002 0.000 0.316 305 F C -0.366 175.229 175.800 -0.342 0.000 1.141 305 F CA -0.857 56.814 58.000 -0.549 0.000 0.922 305 F CB 1.835 40.189 39.000 -1.078 0.000 1.194 305 F HN 0.034 nan 8.300 nan 0.000 0.443 306 V N 4.725 124.585 119.914 -0.090 0.000 2.432 306 V HA 0.275 4.396 4.120 0.002 0.000 0.275 306 V C 0.238 176.453 176.094 0.201 0.000 1.043 306 V CA -0.685 61.643 62.300 0.048 0.000 0.925 306 V CB 1.338 33.213 31.823 0.088 0.000 0.985 306 V HN 0.547 nan 8.190 nan 0.000 0.466 307 L N 7.194 128.540 121.223 0.206 0.000 2.410 307 L HA 0.283 4.624 4.340 0.002 0.000 0.273 307 L C -2.102 174.874 176.870 0.175 0.000 1.152 307 L CA -1.490 53.496 54.840 0.244 0.000 0.855 307 L CB 0.707 42.840 42.059 0.123 0.000 1.129 307 L HN 0.445 nan 8.230 nan 0.000 0.463 308 P HA 0.065 nan 4.420 nan 0.000 0.265 308 P C -2.002 175.347 177.300 0.081 0.000 1.222 308 P CA -0.918 62.252 63.100 0.117 0.000 0.767 308 P CB 0.447 32.203 31.700 0.093 0.000 0.801 309 P HA -0.275 nan 4.420 nan 0.000 0.218 309 P C 1.433 178.765 177.300 0.053 0.000 1.154 309 P CA 1.521 64.663 63.100 0.071 0.000 0.872 309 P CB -0.162 31.582 31.700 0.074 0.000 0.790 310 E N -0.632 119.595 120.200 0.045 0.000 2.333 310 E HA -0.145 4.206 4.350 0.002 0.000 0.198 310 E C 1.500 178.116 176.600 0.026 0.000 1.007 310 E CA 1.131 57.550 56.400 0.032 0.000 0.845 310 E CB -0.991 28.725 29.700 0.027 0.000 0.766 310 E HN 0.237 nan 8.360 nan 0.000 0.507 311 L N 0.830 122.069 121.223 0.028 0.000 2.446 311 L HA 0.055 4.396 4.340 0.002 0.000 0.219 311 L C 0.830 177.715 176.870 0.025 0.000 1.116 311 L CA 0.490 55.342 54.840 0.019 0.000 0.844 311 L CB 0.339 42.400 42.059 0.004 0.000 0.970 311 L HN -0.107 nan 8.230 nan 0.000 0.457 312 V N 1.660 121.593 119.914 0.030 0.000 2.284 312 V HA 0.175 4.296 4.120 0.002 0.000 0.260 312 V C 0.061 176.186 176.094 0.051 0.000 1.084 312 V CA -0.787 61.532 62.300 0.032 0.000 0.894 312 V CB 0.710 32.545 31.823 0.021 0.000 1.119 312 V HN -0.005 nan 8.190 nan 0.000 0.484 313 L N 5.253 126.510 121.223 0.057 0.000 2.410 313 L HA 0.361 4.702 4.340 0.002 0.000 0.273 313 L C 0.268 177.179 176.870 0.068 0.000 1.152 313 L CA 0.855 55.723 54.840 0.046 0.000 0.855 313 L CB 0.236 42.316 42.059 0.036 0.000 1.129 313 L HN 0.642 nan 8.230 nan 0.000 0.463 314 E N 3.253 123.472 120.200 0.031 0.000 2.336 314 E HA 0.577 4.928 4.350 0.002 0.000 0.267 314 E C -1.489 175.067 176.600 -0.075 0.000 0.906 314 E CA -1.006 55.415 56.400 0.036 0.000 0.781 314 E CB 2.480 32.232 29.700 0.087 0.000 1.261 314 E HN 0.334 nan 8.360 nan 0.000 0.436 315 V N 2.809 122.653 119.914 -0.117 0.000 2.407 315 V HA 0.293 4.414 4.120 0.002 0.000 0.291 315 V C -2.443 173.599 176.094 -0.086 0.000 1.018 315 V CA -2.035 60.135 62.300 -0.216 0.000 0.842 315 V CB 1.378 32.830 31.823 -0.617 0.000 0.996 315 V HN 0.517 nan 8.190 nan 0.000 0.426 316 P HA 0.240 nan 4.420 nan 0.000 0.271 316 P C -0.605 176.706 177.300 0.018 0.000 1.220 316 P CA -0.005 63.069 63.100 -0.043 0.000 0.768 316 P CB 0.496 32.175 31.700 -0.035 0.000 0.848 317 L N 4.062 125.327 121.223 0.070 0.000 2.276 317 L HA 0.449 4.790 4.340 0.002 0.000 0.286 317 L C 1.041 178.094 176.870 0.306 0.000 1.061 317 L CA -0.114 54.847 54.840 0.201 0.000 0.807 317 L CB 0.496 42.734 42.059 0.299 0.000 1.177 317 L HN 0.487 nan 8.230 nan 0.000 0.429 318 E N 2.358 122.726 120.200 0.280 0.000 2.446 318 E HA 0.406 4.757 4.350 0.002 0.000 0.276 318 E C -1.423 175.256 176.600 0.132 0.000 0.969 318 E CA -0.936 55.650 56.400 0.309 0.000 0.800 318 E CB 2.327 32.151 29.700 0.206 0.000 1.341 318 E HN 0.482 nan 8.360 nan 0.000 0.460 319 H N 1.334 120.321 119.070 -0.139 0.000 2.469 319 H HA 0.246 4.803 4.556 0.002 0.000 0.342 319 H C -1.784 173.249 175.328 -0.490 0.000 1.115 319 H CA -2.247 53.534 56.048 -0.446 0.000 1.204 319 H CB 2.093 31.464 29.762 -0.651 0.000 1.492 319 H HN 0.420 nan 8.280 nan 0.000 0.499 320 P HA -0.139 nan 4.420 nan 0.000 0.218 320 P C 0.906 178.039 177.300 -0.277 0.000 1.148 320 P CA 1.888 64.474 63.100 -0.858 0.000 0.822 320 P CB 0.415 31.602 31.700 -0.854 0.000 0.784 321 T N -5.111 109.460 114.554 0.029 0.000 2.969 321 T HA 0.215 4.566 4.350 0.002 0.000 0.258 321 T C 0.767 175.415 174.700 -0.087 0.000 0.962 321 T CA -0.236 61.866 62.100 0.003 0.000 0.903 321 T CB -0.533 68.342 68.868 0.012 0.000 1.177 321 T HN -0.054 nan 8.240 nan 0.000 0.511 322 L N 3.528 124.611 121.223 -0.233 0.000 2.358 322 L HA 0.386 4.727 4.340 0.002 0.000 0.274 322 L C 1.619 178.108 176.870 -0.634 0.000 1.136 322 L CA -0.600 53.801 54.840 -0.732 0.000 0.970 322 L CB 0.721 41.888 42.059 -1.487 0.000 1.314 322 L HN 0.356 nan 8.230 nan 0.000 0.427 323 E N 2.941 122.950 120.200 -0.319 0.000 2.147 323 E HA -0.271 4.080 4.350 0.002 0.000 0.199 323 E C 1.698 178.265 176.600 -0.054 0.000 1.005 323 E CA 1.883 58.214 56.400 -0.116 0.000 0.810 323 E CB -0.260 29.442 29.700 0.003 0.000 0.736 323 E HN 0.761 nan 8.360 nan 0.000 0.460 324 W N -0.090 121.256 121.300 0.077 0.000 2.525 324 W HA 0.008 4.669 4.660 0.002 0.000 0.259 324 W C 1.417 177.988 176.519 0.086 0.000 1.253 324 W CA 0.040 57.422 57.345 0.062 0.000 1.262 324 W CB -0.941 28.537 29.460 0.029 0.000 1.122 324 W HN -0.001 nan 8.180 nan 0.000 0.607 325 F N 3.056 122.811 119.950 -0.324 0.000 2.091 325 F HA -0.182 4.346 4.527 0.002 0.000 0.299 325 F C 2.745 178.581 175.800 0.060 0.000 1.103 325 F CA 3.187 61.101 58.000 -0.143 0.000 1.228 325 F CB -0.688 38.093 39.000 -0.365 0.000 0.984 325 F HN -0.076 nan 8.300 nan 0.000 0.477 326 A N 0.054 123.000 122.820 0.209 0.000 2.024 326 A HA -0.131 4.191 4.320 0.002 0.000 0.220 326 A C 2.279 179.903 177.584 0.067 0.000 1.164 326 A CA 1.603 53.726 52.037 0.143 0.000 0.643 326 A CB -1.486 17.588 19.000 0.124 0.000 0.806 326 A HN 0.478 nan 8.150 nan 0.000 0.451 327 A N -0.509 122.365 122.820 0.089 0.000 2.172 327 A HA 0.096 4.417 4.320 0.002 0.000 0.216 327 A C 1.889 179.495 177.584 0.037 0.000 1.154 327 A CA 1.045 53.128 52.037 0.077 0.000 0.701 327 A CB -0.523 18.549 19.000 0.121 0.000 0.789 327 A HN 0.501 nan 8.150 nan 0.000 0.465 328 L N -1.104 120.106 121.223 -0.023 0.000 2.465 328 L HA 0.043 4.384 4.340 0.002 0.000 0.224 328 L C 1.754 178.613 176.870 -0.018 0.000 1.145 328 L CA 0.559 55.362 54.840 -0.061 0.000 0.834 328 L CB -0.552 41.363 42.059 -0.240 0.000 0.944 328 L HN 0.568 nan 8.230 nan 0.000 0.451 329 G N 0.982 109.769 108.800 -0.022 0.000 2.249 329 G HA2 -0.286 3.676 3.960 0.002 0.000 0.273 329 G HA3 -0.286 3.676 3.960 0.002 0.000 0.273 329 G C 0.133 174.969 174.900 -0.107 0.000 1.036 329 G CA 0.019 45.107 45.100 -0.021 0.000 0.824 329 G HN 0.259 nan 8.290 nan 0.000 0.504 330 L N -0.428 120.712 121.223 -0.138 0.000 2.399 330 L HA 0.825 5.166 4.340 0.002 0.000 0.266 330 L C 1.057 177.705 176.870 -0.370 0.000 1.114 330 L CA -0.764 53.918 54.840 -0.263 0.000 0.804 330 L CB 1.097 43.134 42.059 -0.037 0.000 1.146 330 L HN 0.579 nan 8.230 nan 0.000 0.451 331 R N 1.288 121.395 120.500 -0.656 0.000 2.728 331 R HA 0.509 4.850 4.340 0.002 0.000 0.274 331 R C -2.177 174.113 176.300 -0.017 0.000 1.030 331 R CA -1.028 54.875 56.100 -0.328 0.000 0.876 331 R CB 1.813 31.861 30.300 -0.418 0.000 1.259 331 R HN 0.647 nan 8.270 nan 0.000 0.468 332 W N 1.747 123.053 121.300 0.009 0.000 3.363 332 W HA 0.306 4.967 4.660 0.002 0.000 0.306 332 W C -1.223 175.402 176.519 0.177 0.000 1.253 332 W CA -0.963 56.478 57.345 0.159 0.000 1.195 332 W CB 1.813 31.265 29.460 -0.013 0.000 1.366 332 W HN 0.702 nan 8.180 nan 0.000 0.551 333 Y N 1.407 121.626 120.300 -0.135 0.000 2.357 333 Y HA 0.504 5.055 4.550 0.002 0.000 0.340 333 Y C 0.836 176.983 175.900 0.411 0.000 1.260 333 Y CA 0.339 58.463 58.100 0.040 0.000 1.425 333 Y CB 0.159 38.509 38.460 -0.183 0.000 1.326 333 Y HN 0.342 nan 8.280 nan 0.000 0.580 334 A N 2.027 125.127 122.820 0.467 0.000 2.021 334 A HA 0.092 4.413 4.320 0.002 0.000 0.216 334 A C 0.479 178.411 177.584 0.580 0.000 1.163 334 A CA 0.285 52.633 52.037 0.519 0.000 0.676 334 A CB -0.255 18.883 19.000 0.229 0.000 0.818 334 A HN 0.655 nan 8.150 nan 0.000 0.453 335 L N 2.073 123.599 121.223 0.505 0.000 2.264 335 L HA 0.414 4.755 4.340 0.002 0.000 0.287 335 L C -2.572 174.463 176.870 0.275 0.000 1.039 335 L CA -2.267 52.769 54.840 0.327 0.000 0.829 335 L CB 1.489 43.668 42.059 0.200 0.000 1.211 335 L HN -0.026 nan 8.230 nan 0.000 0.427 336 P HA 0.322 nan 4.420 nan 0.000 0.288 336 P C -1.354 175.867 177.300 -0.132 0.000 1.363 336 P CA -0.349 62.632 63.100 -0.198 0.000 0.837 336 P CB 1.330 32.496 31.700 -0.890 0.000 0.981 337 A N 4.704 127.451 122.820 -0.121 0.000 2.586 337 A HA 0.384 4.705 4.320 0.002 0.000 0.320 337 A C -0.042 177.317 177.584 -0.375 0.000 1.281 337 A CA -0.649 51.242 52.037 -0.243 0.000 0.775 337 A CB 0.505 19.383 19.000 -0.204 0.000 1.122 337 A HN 0.297 nan 8.150 nan 0.000 0.470 338 V N 2.498 122.040 119.914 -0.620 0.000 2.599 338 V HA 0.155 4.276 4.120 0.002 0.000 0.300 338 V C 1.313 177.000 176.094 -0.678 0.000 1.034 338 V CA 1.466 63.366 62.300 -0.666 0.000 1.115 338 V CB 0.964 32.229 31.823 -0.929 0.000 0.934 338 V HN 1.093 nan 8.190 nan 0.000 0.485 339 S N 1.419 116.926 115.700 -0.322 0.000 2.847 339 S HA 0.070 4.541 4.470 0.002 0.000 0.254 339 S C 0.725 175.300 174.600 -0.041 0.000 1.039 339 S CA 0.057 58.149 58.200 -0.179 0.000 1.113 339 S CB -0.403 62.731 63.200 -0.110 0.000 1.092 339 S HN 0.919 nan 8.310 nan 0.000 0.620 340 N N 0.456 119.140 118.700 -0.026 0.000 2.187 340 N HA 0.315 5.056 4.740 0.002 0.000 0.212 340 N C 0.144 175.708 175.510 0.090 0.000 1.152 340 N CA -0.511 52.567 53.050 0.048 0.000 0.872 340 N CB 0.139 38.660 38.487 0.057 0.000 1.025 340 N HN 0.273 nan 8.380 nan 0.000 0.514 341 M N 1.303 120.967 119.600 0.108 0.000 2.444 341 M HA 0.331 4.812 4.480 0.002 0.000 0.319 341 M C -0.598 175.841 176.300 0.232 0.000 1.183 341 M CA -0.847 54.562 55.300 0.183 0.000 1.032 341 M CB 2.403 35.139 32.600 0.226 0.000 1.569 341 M HN 0.118 nan 8.290 nan 0.000 0.468 342 L N 2.649 123.995 121.223 0.204 0.000 2.309 342 L HA 0.525 4.866 4.340 0.002 0.000 0.282 342 L C -1.351 175.633 176.870 0.190 0.000 1.036 342 L CA -0.902 54.046 54.840 0.180 0.000 0.806 342 L CB 1.157 43.273 42.059 0.094 0.000 1.220 342 L HN 0.574 nan 8.230 nan 0.000 0.429 343 L N 5.240 126.568 121.223 0.175 0.000 2.272 343 L HA 0.466 4.807 4.340 0.002 0.000 0.289 343 L C -0.571 176.317 176.870 0.030 0.000 1.032 343 L CA 0.204 55.028 54.840 -0.027 0.000 0.810 343 L CB 1.180 43.211 42.059 -0.047 0.000 1.205 343 L HN 0.625 nan 8.230 nan 0.000 0.422 344 E N 6.639 126.772 120.200 -0.112 0.000 2.145 344 E HA 0.411 4.762 4.350 0.002 0.000 0.270 344 E C -1.635 174.882 176.600 -0.138 0.000 0.906 344 E CA -0.428 55.922 56.400 -0.082 0.000 0.761 344 E CB 1.146 30.792 29.700 -0.090 0.000 1.116 344 E HN 0.724 nan 8.360 nan 0.000 0.408 345 I N 2.512 123.009 120.570 -0.122 0.000 2.478 345 I HA 0.286 4.457 4.170 0.002 0.000 0.287 345 I C 0.825 176.723 176.117 -0.366 0.000 1.042 345 I CA -0.699 60.408 61.300 -0.321 0.000 1.067 345 I CB 2.060 39.807 38.000 -0.422 0.000 1.233 345 I HN 0.780 nan 8.210 nan 0.000 0.431 346 G N 4.170 112.782 108.800 -0.313 0.000 2.341 346 G HA2 -0.124 3.837 3.960 0.002 0.000 0.292 346 G HA3 -0.124 3.837 3.960 0.002 0.000 0.292 346 G C 1.032 175.984 174.900 0.086 0.000 1.021 346 G CA 0.811 45.904 45.100 -0.012 0.000 0.905 346 G HN 1.576 nan 8.290 nan 0.000 0.508 347 G N -1.967 106.832 108.800 -0.002 0.000 2.253 347 G HA2 -0.249 3.712 3.960 0.002 0.000 0.251 347 G HA3 -0.249 3.712 3.960 0.002 0.000 0.251 347 G C 0.548 175.382 174.900 -0.111 0.000 0.998 347 G CA 0.473 45.569 45.100 -0.006 0.000 0.621 347 G HN 1.276 nan 8.290 nan 0.000 0.524 348 L N 0.844 121.939 121.223 -0.213 0.000 2.395 348 L HA 0.569 4.910 4.340 0.002 0.000 0.269 348 L C 0.336 176.947 176.870 -0.431 0.000 1.133 348 L CA -0.260 54.328 54.840 -0.421 0.000 0.812 348 L CB 1.025 42.721 42.059 -0.605 0.000 1.125 348 L HN 0.207 nan 8.230 nan 0.000 0.452 349 E N 2.434 122.308 120.200 -0.543 0.000 2.176 349 E HA 0.383 4.734 4.350 0.002 0.000 0.267 349 E C -1.524 174.745 176.600 -0.551 0.000 0.893 349 E CA -0.427 55.739 56.400 -0.389 0.000 0.761 349 E CB 1.757 31.337 29.700 -0.200 0.000 1.133 349 E HN 0.258 nan 8.360 nan 0.000 0.409 350 F N 1.908 121.820 119.950 -0.063 0.000 2.311 350 F HA 0.108 4.636 4.527 0.002 0.000 0.371 350 F C 1.471 177.299 175.800 0.047 0.000 1.083 350 F CA -0.546 57.444 58.000 -0.018 0.000 1.113 350 F CB 1.240 40.212 39.000 -0.048 0.000 1.349 350 F HN 0.428 nan 8.300 nan 0.000 0.470 351 S N 1.387 117.189 115.700 0.169 0.000 2.515 351 S HA 0.226 4.697 4.470 0.002 0.000 0.231 351 S C 0.772 175.499 174.600 0.211 0.000 0.987 351 S CA 0.358 58.654 58.200 0.160 0.000 0.936 351 S CB 0.015 63.289 63.200 0.123 0.000 0.766 351 S HN 0.518 nan 8.310 nan 0.000 0.528 352 A N 0.472 123.462 122.820 0.283 0.000 2.522 352 A HA 0.819 5.140 4.320 0.002 0.000 0.285 352 A C -0.245 177.587 177.584 0.413 0.000 1.198 352 A CA -0.167 52.069 52.037 0.331 0.000 0.742 352 A CB 0.894 20.081 19.000 0.311 0.000 1.176 352 A HN 0.965 nan 8.150 nan 0.000 0.444 353 A N 4.131 127.136 122.820 0.307 0.000 3.307 353 A HA 0.651 4.973 4.320 0.002 0.000 0.289 353 A C -3.002 174.714 177.584 0.220 0.000 1.138 353 A CA -1.004 51.170 52.037 0.229 0.000 0.860 353 A CB 0.461 19.598 19.000 0.229 0.000 1.318 353 A HN 0.503 nan 8.150 nan 0.000 0.551 354 P HA 0.412 nan 4.420 nan 0.000 0.268 354 P C -0.778 176.508 177.300 -0.024 0.000 1.204 354 P CA 0.437 63.481 63.100 -0.095 0.000 0.768 354 P CB 0.320 31.931 31.700 -0.148 0.000 0.842 355 F N -0.196 119.689 119.950 -0.108 0.000 2.588 355 F HA 0.792 5.320 4.527 0.002 0.000 0.314 355 F C -0.696 175.023 175.800 -0.135 0.000 1.069 355 F CA -1.239 56.704 58.000 -0.095 0.000 0.931 355 F CB 1.608 40.433 39.000 -0.292 0.000 1.260 355 F HN 0.429 nan 8.300 nan 0.000 0.465 356 S N 0.097 115.905 115.700 0.179 0.000 2.550 356 S HA 0.924 5.395 4.470 0.002 0.000 0.270 356 S C -0.776 173.797 174.600 -0.045 0.000 1.145 356 S CA -0.172 58.062 58.200 0.056 0.000 0.852 356 S CB 1.444 64.734 63.200 0.151 0.000 1.119 356 S HN 1.500 nan 8.310 nan 0.000 0.465 357 G N 0.012 108.739 108.800 -0.122 0.000 3.324 357 G HA2 0.735 4.696 3.960 0.002 0.000 0.188 357 G HA3 0.735 4.696 3.960 0.002 0.000 0.188 357 G C -1.438 173.481 174.900 0.033 0.000 1.384 357 G CA -0.204 44.754 45.100 -0.237 0.000 0.841 357 G HN 1.191 nan 8.290 nan 0.000 0.758 358 W N -1.538 119.773 121.300 0.018 0.000 3.075 358 W HA 0.807 5.468 4.660 0.002 0.000 0.334 358 W C -1.700 174.830 176.519 0.017 0.000 1.243 358 W CA -2.115 55.256 57.345 0.044 0.000 1.170 358 W CB 0.396 29.923 29.460 0.112 0.000 1.452 358 W HN 0.388 nan 8.180 nan 0.000 0.572 359 Y N 2.537 123.030 120.300 0.323 0.000 2.379 359 Y HA 0.329 4.880 4.550 0.002 0.000 0.337 359 Y C 0.798 176.767 175.900 0.115 0.000 1.238 359 Y CA -0.641 57.530 58.100 0.119 0.000 1.405 359 Y CB 1.138 39.570 38.460 -0.046 0.000 1.310 359 Y HN 0.469 nan 8.280 nan 0.000 0.569 360 M N 1.799 121.553 119.600 0.258 0.000 2.205 360 M HA 0.224 4.705 4.480 0.002 0.000 0.344 360 M C 0.957 177.256 176.300 -0.001 0.000 1.085 360 M CA -0.360 55.019 55.300 0.131 0.000 1.001 360 M CB 1.277 33.933 32.600 0.093 0.000 1.626 360 M HN 0.812 nan 8.290 nan 0.000 0.442 361 S N 1.425 117.082 115.700 -0.071 0.000 2.407 361 S HA -0.205 4.266 4.470 0.002 0.000 0.235 361 S C 1.448 175.911 174.600 -0.229 0.000 1.036 361 S CA 2.248 60.327 58.200 -0.202 0.000 1.013 361 S CB -1.372 61.749 63.200 -0.132 0.000 0.820 361 S HN 0.931 nan 8.310 nan 0.000 0.476 362 T N -0.144 114.305 114.554 -0.176 0.000 2.962 362 T HA -0.009 4.342 4.350 0.002 0.000 0.270 362 T C 1.552 176.096 174.700 -0.261 0.000 1.088 362 T CA 1.182 63.128 62.100 -0.257 0.000 1.127 362 T CB -0.569 68.106 68.868 -0.323 0.000 0.883 362 T HN 0.616 nan 8.240 nan 0.000 0.493 363 E N 0.893 120.960 120.200 -0.223 0.000 2.077 363 E HA -0.037 4.315 4.350 0.002 0.000 0.193 363 E C 2.036 178.363 176.600 -0.456 0.000 0.989 363 E CA 1.354 57.622 56.400 -0.220 0.000 0.800 363 E CB -0.271 29.433 29.700 0.007 0.000 0.746 363 E HN 0.600 nan 8.360 nan 0.000 0.452 364 I N 0.123 120.291 120.570 -0.670 0.000 2.368 364 I HA -0.048 4.123 4.170 0.002 0.000 0.238 364 I C 2.616 178.383 176.117 -0.583 0.000 1.076 364 I CA 0.882 61.620 61.300 -0.937 0.000 1.397 364 I CB -0.625 36.721 38.000 -1.089 0.000 1.141 364 I HN 0.105 nan 8.210 nan 0.000 0.430 365 G N 0.313 108.872 108.800 -0.401 0.000 2.442 365 G HA2 -0.187 3.775 3.960 0.002 0.000 0.219 365 G HA3 -0.187 3.775 3.960 0.002 0.000 0.219 365 G C 1.601 176.387 174.900 -0.191 0.000 1.141 365 G CA 1.637 46.596 45.100 -0.236 0.000 0.763 365 G HN 0.312 nan 8.290 nan 0.000 0.554 366 T N -0.122 114.294 114.554 -0.229 0.000 2.990 366 T HA 0.102 4.453 4.350 0.002 0.000 0.237 366 T C 2.531 177.120 174.700 -0.184 0.000 1.009 366 T CA 0.278 62.264 62.100 -0.190 0.000 1.195 366 T CB 0.043 68.780 68.868 -0.218 0.000 0.885 366 T HN 0.006 nan 8.240 nan 0.000 0.424 367 R N 2.041 122.411 120.500 -0.216 0.000 2.061 367 R HA 0.128 4.469 4.340 0.002 0.000 0.230 367 R C 2.174 178.356 176.300 -0.197 0.000 1.140 367 R CA 1.155 57.139 56.100 -0.193 0.000 0.940 367 R CB -1.229 28.961 30.300 -0.183 0.000 0.839 367 R HN 0.327 nan 8.270 nan 0.000 0.429 368 N N 0.913 119.442 118.700 -0.284 0.000 2.120 368 N HA -0.077 4.664 4.740 0.002 0.000 0.188 368 N C 1.991 177.409 175.510 -0.153 0.000 1.024 368 N CA 1.066 53.943 53.050 -0.288 0.000 0.852 368 N CB -0.257 37.740 38.487 -0.818 0.000 1.003 368 N HN 0.175 nan 8.380 nan 0.000 0.424 369 L N -0.737 120.348 121.223 -0.230 0.000 2.249 369 L HA 0.057 4.398 4.340 0.002 0.000 0.207 369 L C 1.465 178.359 176.870 0.039 0.000 1.090 369 L CA 0.476 55.283 54.840 -0.055 0.000 0.802 369 L CB 0.129 42.135 42.059 -0.089 0.000 0.947 369 L HN 0.169 nan 8.230 nan 0.000 0.453 370 C N -1.526 117.758 119.300 -0.027 0.000 3.065 370 C HA 0.159 4.620 4.460 0.002 0.000 0.285 370 C C 0.730 175.707 174.990 -0.022 0.000 1.257 370 C CA -0.929 58.087 59.018 -0.004 0.000 1.691 370 C CB -0.386 27.339 27.740 -0.025 0.000 2.089 370 C HN 0.301 nan 8.230 nan 0.000 0.630 371 D N 2.822 123.178 120.400 -0.073 0.000 2.472 371 D HA 0.040 4.681 4.640 0.002 0.000 0.237 371 D C -1.033 175.237 176.300 -0.051 0.000 1.141 371 D CA -1.280 52.655 54.000 -0.109 0.000 0.875 371 D CB 0.639 41.243 40.800 -0.327 0.000 1.192 371 D HN 0.190 nan 8.370 nan 0.000 0.450 372 P HA -0.160 nan 4.420 nan 0.000 0.218 372 P C 0.689 178.065 177.300 0.128 0.000 1.149 372 P CA 1.364 64.529 63.100 0.107 0.000 0.817 372 P CB -0.006 31.777 31.700 0.138 0.000 0.785 373 H N -2.136 116.947 119.070 0.021 0.000 2.519 373 H HA 0.365 4.922 4.556 0.002 0.000 0.289 373 H C 0.881 176.224 175.328 0.026 0.000 1.040 373 H CA -0.319 55.740 56.048 0.018 0.000 1.165 373 H CB -0.067 29.704 29.762 0.016 0.000 1.462 373 H HN -0.022 nan 8.280 nan 0.000 0.555 374 R N -0.246 120.160 120.500 -0.157 0.000 3.066 374 R HA 0.175 4.517 4.340 0.002 0.000 0.143 374 R C 1.046 177.337 176.300 -0.015 0.000 1.187 374 R CA -0.743 55.311 56.100 -0.077 0.000 0.722 374 R CB -0.829 29.437 30.300 -0.057 0.000 1.366 374 R HN 0.078 nan 8.270 nan 0.000 0.421 375 Y N 1.591 121.899 120.300 0.014 0.000 2.421 375 Y HA -0.119 4.432 4.550 0.002 0.000 0.292 375 Y C 0.760 176.683 175.900 0.038 0.000 1.136 375 Y CA 1.206 59.331 58.100 0.043 0.000 1.255 375 Y CB -0.403 38.121 38.460 0.106 0.000 0.991 375 Y HN 0.512 nan 8.280 nan 0.000 0.552 376 N N 0.543 119.332 118.700 0.149 0.000 2.699 376 N HA -0.231 4.510 4.740 0.002 0.000 0.256 376 N C 0.397 175.988 175.510 0.136 0.000 0.993 376 N CA 0.811 53.926 53.050 0.109 0.000 0.759 376 N CB -1.327 37.205 38.487 0.076 0.000 0.906 376 N HN 0.653 nan 8.380 nan 0.000 0.541 377 I N -3.606 117.060 120.570 0.160 0.000 3.793 377 I HA 0.068 4.239 4.170 0.002 0.000 0.315 377 I C 1.669 177.887 176.117 0.168 0.000 1.275 377 I CA -0.346 61.050 61.300 0.161 0.000 1.214 377 I CB -0.102 38.002 38.000 0.172 0.000 1.018 377 I HN 0.106 nan 8.210 nan 0.000 0.439 378 L N 1.993 123.321 121.223 0.175 0.000 1.978 378 L HA -0.283 4.058 4.340 0.002 0.000 0.218 378 L C 2.640 179.713 176.870 0.338 0.000 1.075 378 L CA 2.428 57.406 54.840 0.230 0.000 0.767 378 L CB -0.923 41.242 42.059 0.178 0.000 0.890 378 L HN 0.514 nan 8.230 nan 0.000 0.434 379 E N -1.120 119.277 120.200 0.328 0.000 2.077 379 E HA -0.245 4.106 4.350 0.002 0.000 0.193 379 E C 1.773 178.414 176.600 0.067 0.000 0.989 379 E CA 1.466 57.991 56.400 0.208 0.000 0.800 379 E CB -0.012 29.754 29.700 0.110 0.000 0.746 379 E HN 0.512 nan 8.360 nan 0.000 0.452 380 D N -0.038 120.406 120.400 0.072 0.000 2.104 380 D HA -0.164 4.477 4.640 0.002 0.000 0.194 380 D C 2.059 178.368 176.300 0.015 0.000 0.994 380 D CA 1.376 55.388 54.000 0.020 0.000 0.830 380 D CB -0.342 40.481 40.800 0.038 0.000 0.959 380 D HN 0.137 nan 8.370 nan 0.000 0.452 381 V N 1.377 121.359 119.914 0.114 0.000 2.407 381 V HA -0.215 3.906 4.120 0.002 0.000 0.248 381 V C 2.528 178.712 176.094 0.149 0.000 1.055 381 V CA 1.676 64.097 62.300 0.203 0.000 1.049 381 V CB -0.873 31.155 31.823 0.341 0.000 0.662 381 V HN 0.182 nan 8.190 nan 0.000 0.455 382 A N 0.022 122.938 122.820 0.159 0.000 1.883 382 A HA -0.170 4.151 4.320 0.002 0.000 0.217 382 A C 2.404 179.954 177.584 -0.056 0.000 1.186 382 A CA 2.205 54.321 52.037 0.131 0.000 0.624 382 A CB -0.739 18.377 19.000 0.193 0.000 0.822 382 A HN 0.340 nan 8.150 nan 0.000 0.444 383 V N -0.865 118.968 119.914 -0.134 0.000 2.343 383 V HA -0.304 3.817 4.120 0.002 0.000 0.247 383 V C 2.602 178.528 176.094 -0.279 0.000 1.051 383 V CA 1.973 64.153 62.300 -0.199 0.000 1.036 383 V CB -1.062 30.651 31.823 -0.184 0.000 0.654 383 V HN 0.710 nan 8.190 nan 0.000 0.451 384 C N -0.487 118.576 119.300 -0.394 0.000 2.419 384 C HA -0.100 4.361 4.460 0.002 0.000 0.281 384 C C 2.595 177.060 174.990 -0.874 0.000 1.336 384 C CA 0.896 59.409 59.018 -0.841 0.000 1.770 384 C CB -1.023 25.910 27.740 -1.344 0.000 1.929 384 C HN 0.526 nan 8.230 nan 0.000 0.509 385 M N 0.124 119.503 119.600 -0.368 0.000 2.561 385 M HA 0.035 4.516 4.480 0.002 0.000 0.238 385 M C 0.502 176.766 176.300 -0.060 0.000 1.131 385 M CA 0.695 55.972 55.300 -0.038 0.000 1.046 385 M CB -0.322 32.382 32.600 0.173 0.000 1.532 385 M HN 0.231 nan 8.290 nan 0.000 0.497 386 D N 1.828 122.139 120.400 -0.147 0.000 2.697 386 D HA -0.169 4.472 4.640 0.002 0.000 0.238 386 D C -0.997 175.265 176.300 -0.063 0.000 1.152 386 D CA 0.557 54.488 54.000 -0.115 0.000 0.666 386 D CB -0.933 39.809 40.800 -0.097 0.000 1.037 386 D HN 0.312 nan 8.370 nan 0.000 0.423 387 L N -0.137 121.051 121.223 -0.058 0.000 2.400 387 L HA 0.381 4.722 4.340 0.002 0.000 0.264 387 L C 1.038 177.850 176.870 -0.096 0.000 1.061 387 L CA -0.890 53.943 54.840 -0.013 0.000 0.799 387 L CB 0.703 42.816 42.059 0.091 0.000 1.240 387 L HN -0.006 nan 8.230 nan 0.000 0.461 388 D N 0.662 121.032 120.400 -0.049 0.000 2.483 388 D HA 0.012 4.653 4.640 0.002 0.000 0.220 388 D C 0.928 177.075 176.300 -0.255 0.000 1.173 388 D CA -0.124 53.816 54.000 -0.100 0.000 0.964 388 D CB 0.713 41.510 40.800 -0.005 0.000 1.046 388 D HN 0.600 nan 8.370 nan 0.000 0.517 389 T N 0.453 114.672 114.554 -0.559 0.000 3.252 389 T HA 0.081 4.432 4.350 0.002 0.000 0.250 389 T C 1.518 175.948 174.700 -0.450 0.000 1.123 389 T CA -0.006 61.421 62.100 -1.121 0.000 1.006 389 T CB 0.018 68.117 68.868 -1.281 0.000 0.992 389 T HN 0.235 nan 8.240 nan 0.000 0.547 390 R N 0.466 120.848 120.500 -0.197 0.000 2.090 390 R HA 0.115 4.456 4.340 0.002 0.000 0.228 390 R C 1.151 177.474 176.300 0.040 0.000 1.110 390 R CA 0.991 57.052 56.100 -0.064 0.000 0.973 390 R CB -0.091 30.183 30.300 -0.044 0.000 0.869 390 R HN 0.407 nan 8.270 nan 0.000 0.440 391 T N -1.595 113.028 114.554 0.115 0.000 2.903 391 T HA 0.122 4.473 4.350 0.002 0.000 0.299 391 T C 1.091 175.973 174.700 0.303 0.000 1.093 391 T CA -0.478 61.726 62.100 0.173 0.000 1.002 391 T CB 1.887 70.818 68.868 0.106 0.000 1.127 391 T HN 0.224 nan 8.240 nan 0.000 0.488 392 T N 0.397 115.080 114.554 0.215 0.000 2.821 392 T HA -0.091 4.260 4.350 0.002 0.000 0.267 392 T C 2.122 176.866 174.700 0.074 0.000 1.046 392 T CA 1.741 63.917 62.100 0.127 0.000 1.139 392 T CB -0.824 68.070 68.868 0.044 0.000 0.871 392 T HN 0.704 nan 8.240 nan 0.000 0.454 393 S N 2.322 118.071 115.700 0.082 0.000 2.493 393 S HA -0.120 4.351 4.470 0.002 0.000 0.243 393 S C 2.151 176.796 174.600 0.075 0.000 0.991 393 S CA 1.082 59.317 58.200 0.058 0.000 0.957 393 S CB -0.992 62.238 63.200 0.051 0.000 0.756 393 S HN 0.802 nan 8.310 nan 0.000 0.521 394 S N 1.598 117.379 115.700 0.135 0.000 2.562 394 S HA 0.227 4.699 4.470 0.002 0.000 0.221 394 S C 0.950 175.631 174.600 0.134 0.000 0.975 394 S CA 0.235 58.525 58.200 0.149 0.000 0.918 394 S CB -0.971 62.355 63.200 0.211 0.000 0.772 394 S HN 0.622 nan 8.310 nan 0.000 0.531 395 L N 0.795 122.059 121.223 0.068 0.000 3.717 395 L HA -0.178 4.163 4.340 0.002 0.000 0.414 395 L C 1.639 178.506 176.870 -0.004 0.000 1.228 395 L CA 0.692 55.512 54.840 -0.033 0.000 0.918 395 L CB -2.466 39.588 42.059 -0.009 0.000 1.865 395 L HN 0.734 nan 8.230 nan 0.000 0.922 396 W N -0.079 121.233 121.300 0.020 0.000 2.374 396 W HA -0.140 4.520 4.660 0.001 0.000 0.288 396 W C 1.727 178.265 176.519 0.032 0.000 1.218 396 W CA 1.291 58.651 57.345 0.026 0.000 1.245 396 W CB -0.700 28.772 29.460 0.020 0.000 1.126 396 W HN 0.289 nan 8.180 nan 0.000 0.545 397 K N 1.109 121.100 120.400 -0.681 0.000 2.025 397 K HA -0.156 4.165 4.320 0.002 0.000 0.207 397 K C 1.530 178.000 176.600 -0.216 0.000 1.049 397 K CA 2.313 58.237 56.287 -0.605 0.000 0.933 397 K CB -0.391 31.574 32.500 -0.892 0.000 0.714 397 K HN 0.038 nan 8.250 nan 0.000 0.438 398 D N 0.749 121.037 120.400 -0.188 0.000 2.117 398 D HA -0.134 4.507 4.640 0.002 0.000 0.197 398 D C 1.680 177.971 176.300 -0.015 0.000 0.987 398 D CA 1.236 55.182 54.000 -0.090 0.000 0.829 398 D CB 0.040 40.794 40.800 -0.076 0.000 0.961 398 D HN 0.129 nan 8.370 nan 0.000 0.460 399 K N 0.414 120.831 120.400 0.028 0.000 2.025 399 K HA 0.003 4.325 4.320 0.002 0.000 0.207 399 K C 2.227 178.894 176.600 0.112 0.000 1.049 399 K CA 1.073 57.408 56.287 0.081 0.000 0.933 399 K CB -0.144 32.426 32.500 0.117 0.000 0.714 399 K HN 0.088 nan 8.250 nan 0.000 0.438 400 A N 1.645 124.554 122.820 0.148 0.000 1.877 400 A HA -0.134 4.187 4.320 0.002 0.000 0.216 400 A C 2.398 180.066 177.584 0.140 0.000 1.186 400 A CA 1.887 54.041 52.037 0.193 0.000 0.620 400 A CB -0.784 18.370 19.000 0.256 0.000 0.822 400 A HN 0.335 nan 8.150 nan 0.000 0.443 401 A N -0.479 122.382 122.820 0.069 0.000 1.892 401 A HA -0.087 4.234 4.320 0.002 0.000 0.218 401 A C 2.249 179.844 177.584 0.018 0.000 1.188 401 A CA 2.031 54.082 52.037 0.023 0.000 0.631 401 A CB -1.126 17.852 19.000 -0.038 0.000 0.822 401 A HN 0.447 nan 8.150 nan 0.000 0.447 402 V N 0.353 120.283 119.914 0.026 0.000 2.332 402 V HA -0.244 3.877 4.120 0.002 0.000 0.248 402 V C 2.593 178.711 176.094 0.040 0.000 1.055 402 V CA 2.244 64.563 62.300 0.031 0.000 1.038 402 V CB -0.750 31.100 31.823 0.045 0.000 0.651 402 V HN 0.543 nan 8.190 nan 0.000 0.450 403 E N -0.122 120.126 120.200 0.080 0.000 2.106 403 E HA -0.135 4.216 4.350 0.002 0.000 0.192 403 E C 2.140 178.748 176.600 0.013 0.000 0.984 403 E CA 1.227 57.691 56.400 0.106 0.000 0.806 403 E CB -0.313 29.482 29.700 0.159 0.000 0.750 403 E HN 0.592 nan 8.360 nan 0.000 0.458 404 I N 1.351 121.960 120.570 0.065 0.000 2.226 404 I HA -0.291 3.880 4.170 0.002 0.000 0.245 404 I C 1.730 177.819 176.117 -0.046 0.000 1.100 404 I CA 1.136 62.475 61.300 0.066 0.000 1.374 404 I CB -0.333 37.771 38.000 0.174 0.000 1.057 404 I HN 0.048 nan 8.210 nan 0.000 0.413 405 N N 0.606 119.275 118.700 -0.051 0.000 2.188 405 N HA -0.169 4.572 4.740 0.002 0.000 0.184 405 N C 1.681 177.139 175.510 -0.088 0.000 1.018 405 N CA 0.825 53.827 53.050 -0.081 0.000 0.858 405 N CB -0.183 38.266 38.487 -0.063 0.000 0.989 405 N HN 0.168 nan 8.380 nan 0.000 0.426 406 L N 0.621 121.782 121.223 -0.104 0.000 2.056 406 L HA 0.013 4.355 4.340 0.002 0.000 0.207 406 L C 1.995 178.717 176.870 -0.247 0.000 1.078 406 L CA 1.317 56.059 54.840 -0.164 0.000 0.749 406 L CB -0.738 41.193 42.059 -0.213 0.000 0.901 406 L HN 0.152 nan 8.230 nan 0.000 0.433 407 A N -1.211 121.402 122.820 -0.345 0.000 1.902 407 A HA -0.144 4.178 4.320 0.002 0.000 0.217 407 A C 2.252 179.773 177.584 -0.106 0.000 1.181 407 A CA 1.938 53.745 52.037 -0.385 0.000 0.623 407 A CB -1.074 17.431 19.000 -0.826 0.000 0.818 407 A HN 0.290 nan 8.150 nan 0.000 0.443 408 V N 0.100 119.966 119.914 -0.079 0.000 2.255 408 V HA -0.288 3.833 4.120 0.002 0.000 0.247 408 V C 2.594 178.697 176.094 0.014 0.000 1.051 408 V CA 2.114 64.403 62.300 -0.019 0.000 1.018 408 V CB -0.844 30.883 31.823 -0.160 0.000 0.641 408 V HN 0.581 nan 8.190 nan 0.000 0.445 409 L N -0.541 120.655 121.223 -0.045 0.000 2.012 409 L HA -0.264 4.077 4.340 0.002 0.000 0.210 409 L C 2.634 179.532 176.870 0.046 0.000 1.073 409 L CA 2.304 57.138 54.840 -0.010 0.000 0.748 409 L CB -0.859 41.187 42.059 -0.022 0.000 0.891 409 L HN 0.505 nan 8.230 nan 0.000 0.431 410 H N -0.282 118.743 119.070 -0.074 0.000 2.319 410 H HA -0.162 4.395 4.556 0.002 0.000 0.299 410 H C 2.336 177.654 175.328 -0.016 0.000 1.092 410 H CA 2.076 58.074 56.048 -0.083 0.000 1.302 410 H CB -0.077 29.570 29.762 -0.191 0.000 1.373 410 H HN 0.179 nan 8.280 nan 0.000 0.497 411 S N -0.426 115.206 115.700 -0.113 0.000 2.356 411 S HA -0.129 4.342 4.470 0.002 0.000 0.223 411 S C 2.084 176.661 174.600 -0.040 0.000 1.032 411 S CA 1.320 59.452 58.200 -0.114 0.000 1.005 411 S CB -0.605 62.635 63.200 0.067 0.000 0.867 411 S HN 0.399 nan 8.310 nan 0.000 0.449 412 F N 1.815 121.706 119.950 -0.097 0.000 2.171 412 F HA -0.148 4.380 4.527 0.002 0.000 0.300 412 F C 2.811 178.562 175.800 -0.082 0.000 1.090 412 F CA 1.131 59.098 58.000 -0.056 0.000 1.293 412 F CB -0.251 38.741 39.000 -0.014 0.000 1.013 412 F HN 0.209 nan 8.300 nan 0.000 0.486 413 Q N -0.404 119.435 119.800 0.066 0.000 2.119 413 Q HA -0.204 4.137 4.340 0.002 0.000 0.201 413 Q C 2.136 178.083 176.000 -0.089 0.000 0.972 413 Q CA 1.200 56.994 55.803 -0.015 0.000 0.847 413 Q CB -0.287 28.438 28.738 -0.022 0.000 0.903 413 Q HN 0.342 nan 8.270 nan 0.000 0.433 414 L N 0.198 121.310 121.223 -0.184 0.000 2.056 414 L HA -0.066 4.275 4.340 0.002 0.000 0.207 414 L C 1.846 178.633 176.870 -0.138 0.000 1.078 414 L CA 1.871 56.589 54.840 -0.204 0.000 0.749 414 L CB -0.502 41.347 42.059 -0.350 0.000 0.901 414 L HN 0.108 nan 8.230 nan 0.000 0.433 415 A N -1.342 121.390 122.820 -0.147 0.000 2.259 415 A HA 0.017 4.338 4.320 0.002 0.000 0.208 415 A C 0.915 178.433 177.584 -0.110 0.000 1.201 415 A CA 0.075 52.029 52.037 -0.139 0.000 0.824 415 A CB -0.596 18.281 19.000 -0.204 0.000 0.838 415 A HN 0.455 nan 8.150 nan 0.000 0.485 416 K N -0.881 119.469 120.400 -0.082 0.000 3.257 416 K HA -0.131 4.190 4.320 0.002 0.000 0.270 416 K C -0.886 175.684 176.600 -0.049 0.000 0.984 416 K CA 0.690 56.943 56.287 -0.057 0.000 0.739 416 K CB -1.924 30.543 32.500 -0.055 0.000 1.351 416 K HN 0.262 nan 8.250 nan 0.000 0.463 417 V N 0.913 120.811 119.914 -0.028 0.000 2.540 417 V HA 0.166 4.287 4.120 0.002 0.000 0.302 417 V C 0.675 176.857 176.094 0.147 0.000 1.035 417 V CA -0.791 61.523 62.300 0.023 0.000 0.873 417 V CB 2.090 33.852 31.823 -0.103 0.000 0.992 417 V HN 0.275 nan 8.190 nan 0.000 0.428 418 T N 6.105 120.710 114.554 0.085 0.000 2.908 418 T HA 0.419 4.770 4.350 0.002 0.000 0.301 418 T C -0.271 174.504 174.700 0.124 0.000 1.019 418 T CA 0.919 63.001 62.100 -0.030 0.000 1.152 418 T CB -0.030 68.695 68.868 -0.239 0.000 0.966 418 T HN 0.556 nan 8.240 nan 0.000 0.540 419 I N 2.508 123.087 120.570 0.015 0.000 2.882 419 I HA 0.569 4.740 4.170 0.002 0.000 0.298 419 I C -1.603 174.542 176.117 0.046 0.000 1.462 419 I CA -0.908 60.438 61.300 0.077 0.000 1.000 419 I CB 1.884 39.865 38.000 -0.032 0.000 1.340 419 I HN 0.443 nan 8.210 nan 0.000 0.462 420 V N 5.353 125.350 119.914 0.139 0.000 2.638 420 V HA 0.507 4.628 4.120 0.002 0.000 0.306 420 V C -1.160 174.988 176.094 0.091 0.000 1.052 420 V CA -0.274 62.107 62.300 0.135 0.000 0.885 420 V CB 2.178 34.166 31.823 0.275 0.000 0.999 420 V HN 0.860 nan 8.190 nan 0.000 0.424 421 D N 4.089 124.520 120.400 0.051 0.000 2.358 421 D HA 0.187 4.828 4.640 0.002 0.000 0.244 421 D C 1.292 177.593 176.300 0.000 0.000 1.163 421 D CA 0.176 54.192 54.000 0.027 0.000 0.945 421 D CB 0.502 41.287 40.800 -0.026 0.000 1.152 421 D HN 0.732 nan 8.370 nan 0.000 0.451 422 H N 0.162 119.154 119.070 -0.129 0.000 2.456 422 H HA -0.158 4.399 4.556 0.002 0.000 0.296 422 H C 0.976 176.198 175.328 -0.176 0.000 1.079 422 H CA 1.411 57.348 56.048 -0.184 0.000 1.322 422 H CB -0.604 28.989 29.762 -0.282 0.000 1.388 422 H HN 0.526 nan 8.280 nan 0.000 0.538 423 H N 1.173 120.047 119.070 -0.326 0.000 2.307 423 H HA 0.152 4.709 4.556 0.002 0.000 0.303 423 H C 2.564 177.866 175.328 -0.044 0.000 1.073 423 H CA 1.335 57.278 56.048 -0.175 0.000 1.338 423 H CB -0.393 29.230 29.762 -0.231 0.000 1.389 423 H HN 0.499 nan 8.280 nan 0.000 0.503 424 A N 1.457 124.326 122.820 0.083 0.000 1.902 424 A HA -0.113 4.208 4.320 0.002 0.000 0.217 424 A C 2.698 180.350 177.584 0.113 0.000 1.181 424 A CA 1.874 53.965 52.037 0.089 0.000 0.623 424 A CB -0.852 18.192 19.000 0.074 0.000 0.818 424 A HN 0.438 nan 8.150 nan 0.000 0.443 425 A N -0.178 122.708 122.820 0.110 0.000 1.858 425 A HA -0.131 4.190 4.320 0.002 0.000 0.216 425 A C 2.479 180.156 177.584 0.156 0.000 1.190 425 A CA 2.738 54.858 52.037 0.139 0.000 0.617 425 A CB -1.532 17.538 19.000 0.116 0.000 0.827 425 A HN 0.805 nan 8.150 nan 0.000 0.443 426 T N -2.559 112.071 114.554 0.126 0.000 2.833 426 T HA -0.088 4.263 4.350 0.002 0.000 0.269 426 T C 1.670 176.497 174.700 0.212 0.000 1.054 426 T CA 1.439 63.639 62.100 0.167 0.000 1.135 426 T CB -0.723 68.213 68.868 0.113 0.000 0.869 426 T HN 0.057 nan 8.240 nan 0.000 0.466 427 V N 2.729 122.742 119.914 0.165 0.000 2.358 427 V HA -0.162 3.959 4.120 0.002 0.000 0.246 427 V C 3.210 179.393 176.094 0.148 0.000 1.047 427 V CA 2.027 64.414 62.300 0.145 0.000 1.035 427 V CB -0.909 30.980 31.823 0.111 0.000 0.658 427 V HN 0.806 nan 8.190 nan 0.000 0.452 428 S N -0.224 115.575 115.700 0.165 0.000 2.402 428 S HA -0.214 4.257 4.470 0.002 0.000 0.229 428 S C 1.969 176.688 174.600 0.198 0.000 1.021 428 S CA 1.470 59.768 58.200 0.163 0.000 0.974 428 S CB -0.714 62.589 63.200 0.172 0.000 0.800 428 S HN 0.497 nan 8.310 nan 0.000 0.484 429 F N 2.112 122.123 119.950 0.102 0.000 2.186 429 F HA 0.121 4.649 4.527 0.002 0.000 0.299 429 F C 2.252 178.140 175.800 0.147 0.000 1.090 429 F CA 1.079 59.152 58.000 0.123 0.000 1.307 429 F CB -0.327 38.726 39.000 0.088 0.000 1.019 429 F HN 0.104 nan 8.300 nan 0.000 0.489 430 M N 0.227 119.888 119.600 0.103 0.000 2.159 430 M HA -0.192 4.289 4.480 0.002 0.000 0.263 430 M C 2.056 178.330 176.300 -0.043 0.000 1.063 430 M CA 1.557 56.869 55.300 0.020 0.000 1.110 430 M CB -1.192 31.468 32.600 0.101 0.000 1.374 430 M HN 0.116 nan 8.290 nan 0.000 0.411 431 K N -1.103 119.302 120.400 0.009 0.000 2.026 431 K HA -0.217 4.104 4.320 0.002 0.000 0.208 431 K C 2.021 178.605 176.600 -0.027 0.000 1.048 431 K CA 1.598 57.889 56.287 0.006 0.000 0.929 431 K CB -0.455 32.072 32.500 0.045 0.000 0.713 431 K HN 0.313 nan 8.250 nan 0.000 0.439 432 H N 1.166 120.147 119.070 -0.149 0.000 2.352 432 H HA -0.065 4.492 4.556 0.002 0.000 0.299 432 H C 1.796 176.963 175.328 -0.268 0.000 1.097 432 H CA 1.567 57.500 56.048 -0.191 0.000 1.311 432 H CB -0.214 29.398 29.762 -0.249 0.000 1.377 432 H HN 0.049 nan 8.280 nan 0.000 0.504 433 L N -0.288 120.656 121.223 -0.466 0.000 2.042 433 L HA -0.197 4.145 4.340 0.002 0.000 0.210 433 L C 2.332 179.048 176.870 -0.257 0.000 1.076 433 L CA 1.983 56.572 54.840 -0.417 0.000 0.749 433 L CB -0.503 41.371 42.059 -0.308 0.000 0.893 433 L HN 0.421 nan 8.230 nan 0.000 0.432 434 D N -0.276 120.021 120.400 -0.172 0.000 2.097 434 D HA -0.191 4.451 4.640 0.002 0.000 0.195 434 D C 1.939 178.173 176.300 -0.110 0.000 0.989 434 D CA 1.179 55.115 54.000 -0.105 0.000 0.827 434 D CB 0.134 40.898 40.800 -0.060 0.000 0.966 434 D HN 0.172 nan 8.370 nan 0.000 0.456 435 N N 0.524 119.151 118.700 -0.123 0.000 2.104 435 N HA -0.144 4.597 4.740 0.002 0.000 0.190 435 N C 1.587 177.024 175.510 -0.121 0.000 1.024 435 N CA 0.882 53.879 53.050 -0.088 0.000 0.853 435 N CB -0.278 38.186 38.487 -0.038 0.000 1.008 435 N HN 0.348 nan 8.380 nan 0.000 0.424 436 E N 0.593 120.641 120.200 -0.254 0.000 2.208 436 E HA -0.131 4.221 4.350 0.002 0.000 0.193 436 E C 1.865 178.382 176.600 -0.139 0.000 0.988 436 E CA 0.461 56.716 56.400 -0.242 0.000 0.828 436 E CB -0.086 29.357 29.700 -0.429 0.000 0.763 436 E HN 0.331 nan 8.360 nan 0.000 0.478 437 Q N 1.457 121.182 119.800 -0.124 0.000 2.124 437 Q HA -0.109 4.232 4.340 0.002 0.000 0.202 437 Q C 1.680 177.650 176.000 -0.050 0.000 0.977 437 Q CA 1.623 57.384 55.803 -0.070 0.000 0.850 437 Q CB 0.081 28.782 28.738 -0.062 0.000 0.901 437 Q HN 0.126 nan 8.270 nan 0.000 0.429 438 K N -1.013 119.356 120.400 -0.051 0.000 2.116 438 K HA 0.109 4.430 4.320 0.002 0.000 0.203 438 K C 1.965 178.549 176.600 -0.027 0.000 1.052 438 K CA 0.861 57.127 56.287 -0.034 0.000 0.952 438 K CB -0.039 32.444 32.500 -0.029 0.000 0.729 438 K HN 0.203 nan 8.250 nan 0.000 0.446 439 A N 1.233 124.037 122.820 -0.027 0.000 1.930 439 A HA -0.019 4.303 4.320 0.002 0.000 0.215 439 A C 1.775 179.351 177.584 -0.013 0.000 1.176 439 A CA 1.022 53.054 52.037 -0.007 0.000 0.632 439 A CB 0.044 19.056 19.000 0.020 0.000 0.819 439 A HN 0.125 nan 8.150 nan 0.000 0.445 440 R N -2.494 117.988 120.500 -0.029 0.000 2.531 440 R HA 0.255 4.596 4.340 0.002 0.000 0.316 440 R C 0.843 177.134 176.300 -0.015 0.000 0.955 440 R CA 0.517 56.605 56.100 -0.021 0.000 1.120 440 R CB 0.727 31.010 30.300 -0.027 0.000 1.361 440 R HN 0.662 nan 8.270 nan 0.000 0.534 441 G N 0.829 109.614 108.800 -0.024 0.000 2.143 441 G HA2 -0.208 3.753 3.960 0.002 0.000 0.248 441 G HA3 -0.208 3.753 3.960 0.002 0.000 0.248 441 G C 0.209 175.116 174.900 0.012 0.000 0.991 441 G CA 0.101 45.190 45.100 -0.019 0.000 0.689 441 G HN 0.712 nan 8.290 nan 0.000 0.522 442 G N -2.449 106.361 108.800 0.017 0.000 2.320 442 G HA2 0.551 4.513 3.960 0.002 0.000 0.297 442 G HA3 0.551 4.513 3.960 0.002 0.000 0.297 442 G C -0.933 173.998 174.900 0.051 0.000 1.344 442 G CA 0.351 45.492 45.100 0.070 0.000 0.851 442 G HN 1.882 nan 8.290 nan 0.000 0.567 443 C N 2.059 121.417 119.300 0.096 0.000 2.833 443 C HA 0.703 5.164 4.460 0.002 0.000 0.383 443 C C -2.562 172.418 174.990 -0.016 0.000 1.058 443 C CA -1.169 57.850 59.018 0.002 0.000 1.259 443 C CB 1.234 28.909 27.740 -0.110 0.000 1.726 443 C HN 0.701 nan 8.230 nan 0.000 0.484 444 P HA 0.413 nan 4.420 nan 0.000 0.271 444 P C -0.653 176.543 177.300 -0.173 0.000 1.226 444 P CA 0.564 63.287 63.100 -0.629 0.000 0.765 444 P CB 1.140 32.192 31.700 -1.081 0.000 0.835 445 A N 2.632 125.422 122.820 -0.050 0.000 2.520 445 A HA 0.440 4.761 4.320 0.002 0.000 0.298 445 A C -1.162 176.478 177.584 0.095 0.000 1.051 445 A CA -0.546 51.553 52.037 0.103 0.000 0.690 445 A CB 1.371 20.554 19.000 0.305 0.000 1.281 445 A HN 0.440 nan 8.150 nan 0.000 0.402 446 D N 1.797 122.243 120.400 0.077 0.000 2.473 446 D HA 0.172 4.813 4.640 0.002 0.000 0.226 446 D C 0.802 177.240 176.300 0.230 0.000 1.089 446 D CA -0.530 53.549 54.000 0.132 0.000 0.883 446 D CB 0.341 41.158 40.800 0.029 0.000 1.029 446 D HN 0.570 nan 8.370 nan 0.000 0.517 447 W N 4.260 125.607 121.300 0.077 0.000 2.304 447 W HA -0.329 4.332 4.660 0.002 0.000 0.315 447 W C 1.962 178.522 176.519 0.069 0.000 1.233 447 W CA 2.615 59.992 57.345 0.055 0.000 1.261 447 W CB -0.048 29.420 29.460 0.014 0.000 1.150 447 W HN 0.561 nan 8.180 nan 0.000 0.494 448 A N -1.398 121.706 122.820 0.473 0.000 2.024 448 A HA -0.202 4.119 4.320 0.002 0.000 0.220 448 A C 1.494 179.135 177.584 0.095 0.000 1.164 448 A CA 1.665 53.891 52.037 0.314 0.000 0.643 448 A CB -1.268 17.946 19.000 0.358 0.000 0.806 448 A HN 0.540 nan 8.150 nan 0.000 0.451 449 W N -0.868 120.410 121.300 -0.038 0.000 2.704 449 W HA 0.184 4.845 4.660 0.002 0.000 0.266 449 W C 1.857 178.269 176.519 -0.180 0.000 1.266 449 W CA -0.060 57.238 57.345 -0.080 0.000 1.377 449 W CB -0.065 29.372 29.460 -0.038 0.000 1.082 449 W HN 0.137 nan 8.180 nan 0.000 0.608 450 I N -0.179 120.359 120.570 -0.054 0.000 2.353 450 I HA -0.072 4.099 4.170 0.002 0.000 0.248 450 I C 0.689 176.616 176.117 -0.317 0.000 1.119 450 I CA 0.773 61.908 61.300 -0.274 0.000 1.417 450 I CB -1.517 36.247 38.000 -0.393 0.000 1.078 450 I HN -0.409 nan 8.210 nan 0.000 0.421 451 V N 3.929 123.578 119.914 -0.443 0.000 2.521 451 V HA 0.080 4.201 4.120 0.002 0.000 0.286 451 V C -1.898 174.024 176.094 -0.286 0.000 1.034 451 V CA -1.041 60.984 62.300 -0.457 0.000 1.045 451 V CB 0.177 31.490 31.823 -0.851 0.000 0.974 451 V HN 0.125 nan 8.190 nan 0.000 0.480 452 P HA 0.109 nan 4.420 nan 0.000 0.268 452 P C -1.783 175.386 177.300 -0.218 0.000 1.208 452 P CA -1.065 61.910 63.100 -0.209 0.000 0.777 452 P CB 0.052 31.632 31.700 -0.201 0.000 0.875 453 P HA -0.018 nan 4.420 nan 0.000 0.234 453 P C 0.119 177.304 177.300 -0.191 0.000 1.167 453 P CA 1.153 64.131 63.100 -0.203 0.000 0.763 453 P CB -0.024 31.550 31.700 -0.210 0.000 0.835 454 I N -6.960 113.464 120.570 -0.243 0.000 2.894 454 I HA 0.440 4.611 4.170 0.002 0.000 0.302 454 I C -0.162 175.846 176.117 -0.182 0.000 1.188 454 I CA -1.285 59.891 61.300 -0.207 0.000 1.014 454 I CB 1.942 39.800 38.000 -0.238 0.000 1.242 454 I HN -0.409 nan 8.210 nan 0.000 0.430 455 S N 1.982 117.623 115.700 -0.098 0.000 3.581 455 S HA -0.197 4.274 4.470 0.002 0.000 0.354 455 S C 1.348 175.908 174.600 -0.067 0.000 1.059 455 S CA 0.791 58.969 58.200 -0.036 0.000 1.060 455 S CB -1.760 61.497 63.200 0.095 0.000 0.908 455 S HN 1.283 nan 8.310 nan 0.000 0.475 456 G N 2.472 111.198 108.800 -0.124 0.000 2.586 456 G HA2 -0.324 3.638 3.960 0.002 0.000 0.218 456 G HA3 -0.324 3.638 3.960 0.002 0.000 0.218 456 G C 1.488 176.206 174.900 -0.304 0.000 1.216 456 G CA 1.551 46.572 45.100 -0.131 0.000 0.786 456 G HN 1.291 nan 8.290 nan 0.000 0.583 457 S N 0.412 115.640 115.700 -0.786 0.000 2.507 457 S HA 0.126 4.597 4.470 0.002 0.000 0.235 457 S C 2.116 176.617 174.600 -0.165 0.000 0.988 457 S CA 0.758 58.375 58.200 -0.973 0.000 0.944 457 S CB -0.232 62.309 63.200 -1.098 0.000 0.762 457 S HN 0.325 nan 8.310 nan 0.000 0.526 458 L N 1.960 123.148 121.223 -0.059 0.000 2.552 458 L HA 0.123 4.464 4.340 0.002 0.000 0.227 458 L C 1.281 178.264 176.870 0.187 0.000 1.146 458 L CA 0.550 55.449 54.840 0.098 0.000 0.858 458 L CB -1.004 41.141 42.059 0.144 0.000 0.969 458 L HN 0.496 nan 8.230 nan 0.000 0.451 459 T N -4.371 110.277 114.554 0.156 0.000 2.925 459 T HA 0.320 4.671 4.350 0.002 0.000 0.285 459 T C -1.674 173.173 174.700 0.245 0.000 1.021 459 T CA -1.996 60.222 62.100 0.196 0.000 1.042 459 T CB 2.030 70.969 68.868 0.118 0.000 1.037 459 T HN -0.205 nan 8.240 nan 0.000 0.481 460 P HA -0.082 nan 4.420 nan 0.000 0.218 460 P C 1.810 179.296 177.300 0.309 0.000 1.149 460 P CA 1.105 64.390 63.100 0.308 0.000 0.817 460 P CB -0.338 31.496 31.700 0.225 0.000 0.785 461 V N -3.742 116.307 119.914 0.225 0.000 2.720 461 V HA -0.187 3.934 4.120 0.002 0.000 0.256 461 V C 2.380 178.557 176.094 0.137 0.000 1.082 461 V CA 1.186 63.597 62.300 0.185 0.000 1.101 461 V CB -2.256 29.620 31.823 0.089 0.000 0.693 461 V HN -0.118 nan 8.190 nan 0.000 0.479 462 F N 1.649 121.555 119.950 -0.074 0.000 2.171 462 F HA -0.137 4.391 4.527 0.002 0.000 0.300 462 F C 2.447 178.349 175.800 0.170 0.000 1.090 462 F CA 2.124 60.072 58.000 -0.087 0.000 1.293 462 F CB -0.205 38.614 39.000 -0.301 0.000 1.013 462 F HN 0.266 nan 8.300 nan 0.000 0.486 463 H N -0.885 118.522 119.070 0.561 0.000 2.539 463 H HA 0.108 4.665 4.556 0.002 0.000 0.267 463 H C 0.244 175.826 175.328 0.423 0.000 0.982 463 H CA 0.225 56.561 56.048 0.480 0.000 1.146 463 H CB -0.219 29.799 29.762 0.427 0.000 1.382 463 H HN 0.260 nan 8.280 nan 0.000 0.577 464 Q N 1.941 122.017 119.800 0.458 0.000 2.314 464 Q HA 0.165 4.506 4.340 0.002 0.000 0.259 464 Q C -0.549 175.682 176.000 0.385 0.000 0.951 464 Q CA -0.425 55.599 55.803 0.367 0.000 0.909 464 Q CB 0.858 29.778 28.738 0.304 0.000 1.236 464 Q HN 0.232 nan 8.270 nan 0.000 0.444 465 E N 3.460 123.831 120.200 0.285 0.000 2.390 465 E HA 0.327 4.678 4.350 0.002 0.000 0.261 465 E C -0.461 176.271 176.600 0.219 0.000 1.076 465 E CA 0.151 56.678 56.400 0.211 0.000 0.905 465 E CB 0.887 30.684 29.700 0.162 0.000 0.984 465 E HN 0.605 nan 8.360 nan 0.000 0.427 466 M N 1.087 120.816 119.600 0.214 0.000 2.550 466 M HA 0.406 4.887 4.480 0.002 0.000 0.292 466 M C -1.201 175.208 176.300 0.182 0.000 1.221 466 M CA -1.043 54.393 55.300 0.226 0.000 0.873 466 M CB 2.363 35.151 32.600 0.314 0.000 1.727 466 M HN 0.144 nan 8.290 nan 0.000 0.459 467 V N 1.613 121.648 119.914 0.201 0.000 2.495 467 V HA 0.504 4.625 4.120 0.002 0.000 0.298 467 V C -0.821 175.408 176.094 0.225 0.000 1.031 467 V CA -0.697 61.750 62.300 0.245 0.000 0.871 467 V CB 1.753 33.776 31.823 0.332 0.000 0.988 467 V HN 0.834 nan 8.190 nan 0.000 0.432 468 N N 3.620 122.440 118.700 0.200 0.000 2.372 468 N HA 0.672 5.413 4.740 0.002 0.000 0.285 468 N C -1.210 174.396 175.510 0.160 0.000 1.008 468 N CA -0.458 52.623 53.050 0.051 0.000 0.880 468 N CB 1.340 39.858 38.487 0.051 0.000 1.239 468 N HN 0.672 nan 8.380 nan 0.000 0.484 469 Y N 0.405 120.722 120.300 0.029 0.000 2.689 469 Y HA 0.576 5.127 4.550 0.002 0.000 0.333 469 Y C -1.038 174.864 175.900 0.003 0.000 1.208 469 Y CA -1.268 56.842 58.100 0.016 0.000 1.055 469 Y CB 0.974 39.447 38.460 0.021 0.000 1.304 469 Y HN 0.185 nan 8.280 nan 0.000 0.455 470 I N 3.488 124.152 120.570 0.158 0.000 2.307 470 I HA 0.368 4.539 4.170 0.002 0.000 0.289 470 I C -0.728 175.451 176.117 0.104 0.000 1.021 470 I CA -0.412 60.924 61.300 0.061 0.000 1.224 470 I CB 0.913 38.934 38.000 0.034 0.000 1.376 470 I HN 0.416 nan 8.210 nan 0.000 0.470 471 L N 4.774 126.029 121.223 0.053 0.000 2.334 471 L HA 0.570 4.911 4.340 0.002 0.000 0.270 471 L C 0.104 176.976 176.870 0.004 0.000 1.018 471 L CA -0.525 54.353 54.840 0.063 0.000 0.811 471 L CB 1.994 44.089 42.059 0.060 0.000 1.271 471 L HN 0.496 nan 8.230 nan 0.000 0.443 472 S N 0.842 116.553 115.700 0.019 0.000 2.526 472 S HA 0.607 5.078 4.470 0.002 0.000 0.293 472 S C -2.598 172.021 174.600 0.031 0.000 1.092 472 S CA -1.405 56.795 58.200 -0.001 0.000 0.980 472 S CB 1.893 65.106 63.200 0.021 0.000 1.048 472 S HN 0.236 nan 8.310 nan 0.000 0.483 473 P HA 0.343 nan 4.420 nan 0.000 0.266 473 P C -1.324 175.864 177.300 -0.188 0.000 1.193 473 P CA 0.100 63.127 63.100 -0.121 0.000 0.770 473 P CB 0.477 32.077 31.700 -0.167 0.000 0.836 474 A N 2.193 124.865 122.820 -0.248 0.000 2.587 474 A HA 0.696 5.017 4.320 0.002 0.000 0.293 474 A C -1.529 175.846 177.584 -0.347 0.000 1.087 474 A CA -0.527 51.362 52.037 -0.248 0.000 0.692 474 A CB 0.897 19.823 19.000 -0.123 0.000 1.291 474 A HN 0.349 nan 8.150 nan 0.000 0.407 475 F N 0.971 120.840 119.950 -0.135 0.000 2.420 475 F HA 0.670 5.199 4.527 0.002 0.000 0.342 475 F C 0.945 176.631 175.800 -0.189 0.000 1.113 475 F CA 0.152 58.069 58.000 -0.140 0.000 1.059 475 F CB 1.765 40.651 39.000 -0.190 0.000 1.128 475 F HN 0.554 nan 8.300 nan 0.000 0.475 476 R N 1.712 122.220 120.500 0.014 0.000 2.837 476 R HA 0.457 4.799 4.340 0.002 0.000 0.271 476 R C -1.514 174.734 176.300 -0.086 0.000 0.993 476 R CA -1.202 54.832 56.100 -0.110 0.000 0.931 476 R CB 1.767 32.042 30.300 -0.041 0.000 1.206 476 R HN 0.410 nan 8.270 nan 0.000 0.474 477 Y N 1.262 121.581 120.300 0.032 0.000 2.314 477 Y HA 0.159 4.710 4.550 0.002 0.000 0.334 477 Y C 0.596 176.494 175.900 -0.003 0.000 1.266 477 Y CA -0.004 58.106 58.100 0.016 0.000 1.391 477 Y CB 0.789 39.246 38.460 -0.004 0.000 1.306 477 Y HN 0.436 nan 8.280 nan 0.000 0.558 478 Q N 0.683 120.578 119.800 0.159 0.000 2.418 478 Q HA 0.598 4.939 4.340 0.002 0.000 0.282 478 Q C -3.163 172.809 176.000 -0.046 0.000 1.044 478 Q CA -2.491 53.336 55.803 0.040 0.000 0.813 478 Q CB 2.030 30.783 28.738 0.025 0.000 1.428 478 Q HN 0.261 nan 8.270 nan 0.000 0.402 479 P HA 0.030 nan 4.420 nan 0.000 0.267 479 P C -0.959 176.137 177.300 -0.340 0.000 1.200 479 P CA 0.117 63.096 63.100 -0.201 0.000 0.772 479 P CB 0.365 31.959 31.700 -0.176 0.000 0.855 480 D N 3.476 123.548 120.400 -0.547 0.000 2.390 480 D HA 0.018 4.659 4.640 0.002 0.000 0.249 480 D C -0.983 174.690 176.300 -1.045 0.000 1.144 480 D CA -1.229 52.161 54.000 -1.017 0.000 0.880 480 D CB 0.352 40.194 40.800 -1.597 0.000 1.182 480 D HN 0.296 nan 8.370 nan 0.000 0.451 481 P HA -0.087 nan 4.420 nan 0.000 0.229 481 P C -0.015 176.918 177.300 -0.611 0.000 1.150 481 P CA 0.785 63.470 63.100 -0.691 0.000 0.765 481 P CB 0.043 31.351 31.700 -0.653 0.000 0.783 482 W N 0.000 120.893 121.300 -0.679 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.103 57.345 -0.404 0.000 1.226 482 W CB 0.000 29.167 29.460 -0.488 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535