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 2g6o_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 0.000 176.392 176.600 -0.347 0.000 0.988 69 K CA 0.000 56.106 56.287 -0.301 0.000 0.838 69 K CB 0.000 32.257 32.500 -0.405 0.000 1.064 70 F N 5.290 125.250 119.950 0.017 0.000 2.445 70 F HA 0.257 4.785 4.527 0.002 0.000 0.359 70 F C -1.819 174.051 175.800 0.116 0.000 1.101 70 F CA -1.821 56.206 58.000 0.045 0.000 1.177 70 F CB 0.022 39.051 39.000 0.048 0.000 1.110 70 F HN 0.067 nan 8.300 nan 0.000 0.522 71 P HA 0.090 nan 4.420 nan 0.000 0.271 71 P C -0.643 176.740 177.300 0.140 0.000 1.216 71 P CA -0.511 62.681 63.100 0.153 0.000 0.776 71 P CB 0.985 32.739 31.700 0.090 0.000 0.881 72 R N 2.254 122.781 120.500 0.044 0.000 2.234 72 R HA 0.366 4.707 4.340 0.002 0.000 0.324 72 R C -0.852 175.337 176.300 -0.185 0.000 1.054 72 R CA -0.513 55.433 56.100 -0.256 0.000 0.912 72 R CB 0.464 30.656 30.300 -0.179 0.000 1.030 72 R HN 0.290 nan 8.270 nan 0.000 0.455 73 V N 5.449 125.215 119.914 -0.246 0.000 2.384 73 V HA 0.311 4.432 4.120 0.002 0.000 0.287 73 V C -0.075 175.929 176.094 -0.150 0.000 1.020 73 V CA -0.654 61.581 62.300 -0.110 0.000 0.850 73 V CB 1.370 33.171 31.823 -0.036 0.000 0.987 73 V HN 0.680 nan 8.190 nan 0.000 0.436 74 K N 4.000 124.332 120.400 -0.114 0.000 2.207 74 K HA 0.411 4.732 4.320 0.002 0.000 0.255 74 K C -0.544 175.970 176.600 -0.143 0.000 0.941 74 K CA -0.705 55.441 56.287 -0.234 0.000 0.825 74 K CB 1.369 33.576 32.500 -0.488 0.000 1.119 74 K HN 0.701 nan 8.250 nan 0.000 0.430 75 N N 4.089 122.700 118.700 -0.148 0.000 2.457 75 N HA 0.087 4.828 4.740 0.002 0.000 0.250 75 N C -0.222 175.266 175.510 -0.038 0.000 0.982 75 N CA -0.343 52.727 53.050 0.033 0.000 0.941 75 N CB 0.469 38.991 38.487 0.059 0.000 1.120 75 N HN 0.660 nan 8.380 nan 0.000 0.505 76 W N 2.155 123.536 121.300 0.134 0.000 2.595 76 W HA 0.076 4.738 4.660 0.002 0.000 0.257 76 W C 2.074 178.644 176.519 0.085 0.000 1.267 76 W CA 0.020 57.435 57.345 0.118 0.000 1.300 76 W CB 0.210 29.765 29.460 0.158 0.000 1.120 76 W HN 0.669 nan 8.180 nan 0.000 0.618 77 E N 0.478 120.830 120.200 0.253 0.000 2.076 77 E HA -0.117 4.234 4.350 0.002 0.000 0.190 77 E C 1.701 178.335 176.600 0.056 0.000 0.979 77 E CA 1.058 57.511 56.400 0.087 0.000 0.807 77 E CB -0.219 29.511 29.700 0.050 0.000 0.761 77 E HN 0.262 nan 8.360 nan 0.000 0.454 78 L N -0.962 120.291 121.223 0.051 0.000 2.590 78 L HA 0.340 4.681 4.340 0.002 0.000 0.227 78 L C 1.556 178.410 176.870 -0.027 0.000 1.099 78 L CA 0.370 55.218 54.840 0.013 0.000 0.872 78 L CB 0.568 42.638 42.059 0.018 0.000 1.088 78 L HN 0.430 nan 8.230 nan 0.000 0.479 79 G N 0.604 109.362 108.800 -0.069 0.000 2.184 79 G HA2 -0.321 3.640 3.960 0.002 0.000 0.264 79 G HA3 -0.321 3.640 3.960 0.002 0.000 0.264 79 G C 0.432 175.239 174.900 -0.155 0.000 0.975 79 G CA 0.486 45.499 45.100 -0.144 0.000 0.642 79 G HN 0.468 nan 8.290 nan 0.000 0.536 80 S N -0.373 115.259 115.700 -0.112 0.000 2.585 80 S HA 0.741 5.212 4.470 0.002 0.000 0.273 80 S C 0.159 174.672 174.600 -0.144 0.000 1.339 80 S CA -0.347 57.794 58.200 -0.099 0.000 1.028 80 S CB 2.072 65.239 63.200 -0.055 0.000 0.906 80 S HN 0.587 nan 8.310 nan 0.000 0.528 81 I N 1.397 121.884 120.570 -0.138 0.000 2.730 81 I HA 0.562 4.733 4.170 0.002 0.000 0.298 81 I C -0.082 175.921 176.117 -0.190 0.000 1.089 81 I CA -0.541 60.636 61.300 -0.204 0.000 1.041 81 I CB 2.693 40.549 38.000 -0.240 0.000 1.235 81 I HN 0.987 nan 8.210 nan 0.000 0.423 82 T N 0.501 114.890 114.554 -0.277 0.000 2.841 82 T HA 0.626 4.978 4.350 0.002 0.000 0.296 82 T C -1.393 173.080 174.700 -0.379 0.000 1.166 82 T CA -0.815 61.172 62.100 -0.188 0.000 1.007 82 T CB 1.670 70.497 68.868 -0.069 0.000 1.253 82 T HN 0.291 nan 8.240 nan 0.000 0.511 83 Y N 0.162 120.460 120.300 -0.003 0.000 2.361 83 Y HA 0.471 5.022 4.550 0.002 0.000 0.337 83 Y C -0.127 175.789 175.900 0.027 0.000 0.965 83 Y CA -0.990 57.121 58.100 0.018 0.000 1.091 83 Y CB 1.737 40.191 38.460 -0.010 0.000 1.182 83 Y HN 0.715 nan 8.280 nan 0.000 0.450 84 D N 2.127 122.642 120.400 0.191 0.000 2.339 84 D HA 0.081 4.722 4.640 0.002 0.000 0.241 84 D C 0.723 177.150 176.300 0.212 0.000 1.183 84 D CA 0.198 54.292 54.000 0.157 0.000 0.859 84 D CB 1.253 42.139 40.800 0.145 0.000 1.067 84 D HN 0.796 nan 8.370 nan 0.000 0.484 85 T N 1.031 115.670 114.554 0.141 0.000 3.001 85 T HA -0.031 4.320 4.350 0.002 0.000 0.251 85 T C 1.781 176.560 174.700 0.132 0.000 1.040 85 T CA -0.266 61.949 62.100 0.191 0.000 0.985 85 T CB 0.126 68.907 68.868 -0.145 0.000 1.011 85 T HN 0.243 nan 8.240 nan 0.000 0.509 86 L N 2.440 123.693 121.223 0.050 0.000 2.141 86 L HA 0.086 4.427 4.340 0.002 0.000 0.209 86 L C 2.662 179.435 176.870 -0.161 0.000 1.094 86 L CA 1.263 56.115 54.840 0.021 0.000 0.763 86 L CB -0.900 41.229 42.059 0.117 0.000 0.908 86 L HN 0.661 nan 8.230 nan 0.000 0.437 87 C N -1.341 117.650 119.300 -0.514 0.000 2.409 87 C HA -0.013 4.448 4.460 0.002 0.000 0.284 87 C C 2.741 177.474 174.990 -0.428 0.000 1.354 87 C CA 0.253 58.625 59.018 -1.077 0.000 1.787 87 C CB -2.243 24.836 27.740 -1.103 0.000 1.900 87 C HN 0.568 nan 8.230 nan 0.000 0.520 88 A N -0.278 122.435 122.820 -0.179 0.000 2.121 88 A HA -0.047 4.274 4.320 0.002 0.000 0.218 88 A C 2.219 179.775 177.584 -0.046 0.000 1.154 88 A CA 1.174 53.155 52.037 -0.093 0.000 0.679 88 A CB -0.440 18.583 19.000 0.038 0.000 0.795 88 A HN 0.685 nan 8.150 nan 0.000 0.458 89 Q N 0.054 119.836 119.800 -0.031 0.000 2.403 89 Q HA 0.081 4.423 4.340 0.002 0.000 0.203 89 Q C 0.505 176.523 176.000 0.029 0.000 0.932 89 Q CA 0.177 55.990 55.803 0.017 0.000 0.945 89 Q CB -0.119 28.646 28.738 0.045 0.000 1.045 89 Q HN 0.494 nan 8.270 nan 0.000 0.511 90 S N 0.956 116.658 115.700 0.004 0.000 2.510 90 S HA 0.060 4.531 4.470 0.002 0.000 0.279 90 S C 0.840 175.458 174.600 0.031 0.000 1.284 90 S CA -0.119 58.112 58.200 0.052 0.000 1.059 90 S CB 0.493 63.732 63.200 0.066 0.000 0.901 90 S HN 0.094 nan 8.310 nan 0.000 0.491 91 Q N 2.284 122.110 119.800 0.043 0.000 2.217 91 Q HA 0.224 4.565 4.340 0.002 0.000 0.217 91 Q C -0.126 175.891 176.000 0.027 0.000 0.844 91 Q CA 0.122 55.943 55.803 0.030 0.000 0.957 91 Q CB 0.512 29.271 28.738 0.035 0.000 1.127 91 Q HN 0.752 nan 8.270 nan 0.000 0.503 92 Q N 1.258 121.079 119.800 0.035 0.000 2.316 92 Q HA 0.276 4.618 4.340 0.002 0.000 0.264 92 Q C -1.395 174.625 176.000 0.033 0.000 0.987 92 Q CA -0.302 55.517 55.803 0.028 0.000 0.852 92 Q CB 1.259 30.011 28.738 0.023 0.000 1.287 92 Q HN -0.171 nan 8.270 nan 0.000 0.448 93 D N 2.135 122.549 120.400 0.024 0.000 2.302 93 D HA 0.477 5.119 4.640 0.002 0.000 0.248 93 D C 0.107 176.423 176.300 0.028 0.000 1.094 93 D CA 0.121 54.136 54.000 0.025 0.000 0.897 93 D CB 1.390 42.200 40.800 0.016 0.000 1.200 93 D HN 0.678 nan 8.370 nan 0.000 0.429 94 G N 0.728 109.549 108.800 0.034 0.000 2.531 94 G HA2 0.353 4.314 3.960 0.002 0.000 0.281 94 G HA3 0.353 4.314 3.960 0.002 0.000 0.281 94 G C -1.573 173.344 174.900 0.028 0.000 1.382 94 G CA -0.675 44.445 45.100 0.034 0.000 1.045 94 G HN 0.365 nan 8.290 nan 0.000 0.533 95 P HA 0.167 nan 4.420 nan 0.000 0.251 95 P C 0.267 177.581 177.300 0.023 0.000 1.223 95 P CA -0.065 63.051 63.100 0.025 0.000 0.796 95 P CB 0.167 31.885 31.700 0.029 0.000 1.068 96 C N 0.873 120.189 119.300 0.026 0.000 2.520 96 C HA 0.616 5.077 4.460 0.002 0.000 0.376 96 C C 1.048 176.047 174.990 0.015 0.000 1.268 96 C CA 0.184 59.215 59.018 0.022 0.000 2.414 96 C CB 0.837 28.593 27.740 0.026 0.000 2.521 96 C HN 0.377 nan 8.230 nan 0.000 0.618 97 T N -1.854 112.706 114.554 0.010 0.000 2.816 97 T HA 0.406 4.757 4.350 0.002 0.000 0.299 97 T C -2.549 172.153 174.700 0.003 0.000 1.230 97 T CA -1.021 61.082 62.100 0.005 0.000 1.007 97 T CB 1.230 70.100 68.868 0.004 0.000 1.289 97 T HN 0.250 nan 8.240 nan 0.000 0.508 98 P HA 0.024 nan 4.420 nan 0.000 0.219 98 P C 1.510 178.810 177.300 -0.001 0.000 1.146 98 P CA 0.612 63.711 63.100 -0.001 0.000 0.808 98 P CB 0.137 31.834 31.700 -0.004 0.000 0.779 99 R N -0.081 120.419 120.500 -0.000 0.000 2.090 99 R HA -0.054 4.287 4.340 0.002 0.000 0.228 99 R C 0.568 176.868 176.300 0.000 0.000 1.110 99 R CA 0.955 57.054 56.100 -0.000 0.000 0.973 99 R CB 0.166 30.466 30.300 -0.000 0.000 0.869 99 R HN 0.081 nan 8.270 nan 0.000 0.440 100 R N -0.215 120.286 120.500 0.002 0.000 2.594 100 R HA 0.153 4.494 4.340 0.002 0.000 0.265 100 R C -1.794 174.510 176.300 0.007 0.000 1.070 100 R CA -0.730 55.371 56.100 0.003 0.000 0.909 100 R CB 0.182 30.485 30.300 0.004 0.000 1.243 100 R HN 0.095 nan 8.270 nan 0.000 0.455 101 C N 4.124 123.428 119.300 0.006 0.000 2.307 101 C HA 0.586 5.047 4.460 0.002 0.000 0.340 101 C C 0.622 175.624 174.990 0.019 0.000 1.275 101 C CA -0.681 58.344 59.018 0.012 0.000 1.811 101 C CB -0.769 26.974 27.740 0.006 0.000 2.372 101 C HN 0.771 nan 8.230 nan 0.000 0.531 102 L N 5.966 127.206 121.223 0.027 0.000 3.141 102 L HA 0.300 4.641 4.340 0.002 0.000 0.267 102 L C 1.936 178.837 176.870 0.053 0.000 1.281 102 L CA 0.154 55.015 54.840 0.035 0.000 1.037 102 L CB -0.084 41.993 42.059 0.031 0.000 1.407 102 L HN 1.025 nan 8.230 nan 0.000 0.566 103 G N 0.279 109.114 108.800 0.057 0.000 2.470 103 G HA2 -0.248 3.713 3.960 0.002 0.000 0.220 103 G HA3 -0.248 3.713 3.960 0.002 0.000 0.220 103 G C 1.606 176.580 174.900 0.124 0.000 1.121 103 G CA 1.123 46.272 45.100 0.082 0.000 0.766 103 G HN 0.517 nan 8.290 nan 0.000 0.553 104 S N -0.467 115.302 115.700 0.115 0.000 2.562 104 S HA 0.262 4.733 4.470 0.002 0.000 0.221 104 S C 0.759 175.456 174.600 0.161 0.000 0.975 104 S CA -0.412 57.878 58.200 0.151 0.000 0.918 104 S CB -0.088 63.176 63.200 0.106 0.000 0.772 104 S HN -0.017 nan 8.310 nan 0.000 0.531 105 L N 2.539 123.835 121.223 0.122 0.000 2.462 105 L HA 0.187 4.528 4.340 0.002 0.000 0.272 105 L C 1.396 178.357 176.870 0.151 0.000 1.166 105 L CA 0.237 55.141 54.840 0.107 0.000 0.880 105 L CB 0.592 42.691 42.059 0.066 0.000 1.142 105 L HN 0.006 nan 8.230 nan 0.000 0.473 106 V N 3.983 123.996 119.914 0.165 0.000 2.270 106 V HA -0.115 4.007 4.120 0.002 0.000 0.245 106 V C 0.918 177.058 176.094 0.076 0.000 1.043 106 V CA 1.194 63.627 62.300 0.221 0.000 1.014 106 V CB -0.311 31.642 31.823 0.218 0.000 0.645 106 V HN 0.487 nan 8.190 nan 0.000 0.447 107 L N -0.110 121.097 121.223 -0.027 0.000 2.334 107 L HA 0.462 4.803 4.340 0.002 0.000 0.272 107 L C -2.441 174.425 176.870 -0.006 0.000 1.020 107 L CA -1.843 52.928 54.840 -0.114 0.000 0.812 107 L CB 0.843 42.769 42.059 -0.221 0.000 1.264 107 L HN 0.080 nan 8.230 nan 0.000 0.439 108 P HA 0.226 nan 4.420 nan 0.000 0.275 108 P C -0.176 177.130 177.300 0.009 0.000 1.227 108 P CA -0.559 62.564 63.100 0.039 0.000 0.781 108 P CB 1.133 32.873 31.700 0.067 0.000 0.906 109 R N 3.007 123.513 120.500 0.009 0.000 2.062 109 R HA -0.039 4.302 4.340 0.002 0.000 0.226 109 R C 1.546 177.845 176.300 -0.002 0.000 1.125 109 R CA 1.790 57.890 56.100 -0.000 0.000 0.966 109 R CB -0.157 30.144 30.300 0.003 0.000 0.861 109 R HN 0.222 nan 8.270 nan 0.000 0.433 110 K N -1.411 118.991 120.400 0.004 0.000 2.474 110 K HA 0.210 4.531 4.320 0.002 0.000 0.202 110 K C 0.546 177.150 176.600 0.007 0.000 1.248 110 K CA 0.234 56.522 56.287 0.002 0.000 0.946 110 K CB 0.235 32.736 32.500 0.002 0.000 1.102 110 K HN 0.082 nan 8.250 nan 0.000 0.541 111 L N 2.608 123.840 121.223 0.015 0.000 2.885 111 L HA 0.100 4.441 4.340 0.002 0.000 0.258 111 L C 0.978 177.864 176.870 0.027 0.000 1.146 111 L CA 0.720 55.572 54.840 0.021 0.000 0.922 111 L CB -1.525 40.550 42.059 0.028 0.000 1.138 111 L HN 0.301 nan 8.230 nan 0.000 0.431 112 Q N -0.029 119.783 119.800 0.019 0.000 2.577 112 Q HA 0.125 4.466 4.340 0.002 0.000 0.183 112 Q C -0.031 175.976 176.000 0.011 0.000 1.167 112 Q CA 0.622 56.437 55.803 0.021 0.000 1.234 112 Q CB 0.435 29.172 28.738 -0.002 0.000 1.569 112 Q HN 0.217 nan 8.270 nan 0.000 0.656 113 T N 1.834 116.388 114.554 -0.000 0.000 3.141 113 T HA 0.377 4.728 4.350 0.002 0.000 0.377 113 T C -0.844 173.841 174.700 -0.024 0.000 1.258 113 T CA -0.674 61.419 62.100 -0.011 0.000 1.263 113 T CB 0.426 69.290 68.868 -0.007 0.000 1.066 113 T HN 0.299 nan 8.240 nan 0.000 0.546 114 R N 2.387 122.873 120.500 -0.023 0.000 2.817 114 R HA 0.170 4.511 4.340 0.002 0.000 0.264 114 R C -2.072 174.210 176.300 -0.030 0.000 1.009 114 R CA -1.313 54.771 56.100 -0.027 0.000 1.133 114 R CB -0.350 29.937 30.300 -0.022 0.000 1.013 114 R HN 0.339 nan 8.270 nan 0.000 0.453 115 P HA -0.090 nan 4.420 nan 0.000 0.272 115 P C -0.019 177.264 177.300 -0.028 0.000 1.225 115 P CA 0.424 63.507 63.100 -0.030 0.000 0.800 115 P CB 0.439 32.124 31.700 -0.026 0.000 0.894 116 S N 0.411 116.094 115.700 -0.027 0.000 2.740 116 S HA 0.254 4.725 4.470 0.002 0.000 0.244 116 S C -1.513 173.075 174.600 -0.020 0.000 1.101 116 S CA -1.048 57.135 58.200 -0.028 0.000 1.123 116 S CB -0.385 62.791 63.200 -0.039 0.000 1.012 116 S HN 0.303 nan 8.310 nan 0.000 0.491 117 P HA 0.187 nan 4.420 nan 0.000 0.222 117 P C 0.805 178.101 177.300 -0.007 0.000 1.153 117 P CA 0.583 63.678 63.100 -0.009 0.000 0.798 117 P CB -0.063 31.632 31.700 -0.007 0.000 0.796 118 G N 1.175 109.969 108.800 -0.009 0.000 2.448 118 G HA2 0.530 4.491 3.960 0.002 0.000 0.324 118 G HA3 0.530 4.491 3.960 0.002 0.000 0.324 118 G C -2.903 171.992 174.900 -0.009 0.000 1.203 118 G CA -1.603 43.493 45.100 -0.006 0.000 0.954 118 G HN -0.102 nan 8.290 nan 0.000 0.480 119 P HA 0.221 nan 4.420 nan 0.000 0.271 119 P C -2.241 175.056 177.300 -0.004 0.000 1.220 119 P CA -0.830 62.266 63.100 -0.006 0.000 0.768 119 P CB 0.944 32.647 31.700 0.004 0.000 0.848 120 P HA 0.217 nan 4.420 nan 0.000 0.269 120 P C -2.484 174.819 177.300 0.006 0.000 1.215 120 P CA -1.355 61.742 63.100 -0.004 0.000 0.780 120 P CB -1.030 30.665 31.700 -0.009 0.000 0.898 121 P HA -0.055 nan 4.420 nan 0.000 0.260 121 P C 0.938 178.247 177.300 0.015 0.000 1.172 121 P CA 0.429 63.535 63.100 0.009 0.000 0.760 121 P CB 0.098 31.802 31.700 0.007 0.000 0.773 122 A N 4.450 127.280 122.820 0.016 0.000 1.917 122 A HA -0.269 4.052 4.320 0.002 0.000 0.219 122 A C 1.907 179.501 177.584 0.017 0.000 1.182 122 A CA 1.753 53.802 52.037 0.020 0.000 0.633 122 A CB -0.845 18.165 19.000 0.017 0.000 0.819 122 A HN 0.629 nan 8.150 nan 0.000 0.448 123 E N -1.296 118.911 120.200 0.013 0.000 2.072 123 E HA -0.237 4.114 4.350 0.002 0.000 0.191 123 E C 2.289 178.898 176.600 0.015 0.000 0.985 123 E CA 1.293 57.699 56.400 0.010 0.000 0.801 123 E CB -0.152 29.552 29.700 0.007 0.000 0.750 123 E HN 0.674 nan 8.360 nan 0.000 0.452 124 Q N 1.235 121.045 119.800 0.017 0.000 2.020 124 Q HA -0.174 4.168 4.340 0.002 0.000 0.202 124 Q C 2.108 178.127 176.000 0.032 0.000 0.982 124 Q CA 1.202 57.018 55.803 0.021 0.000 0.838 124 Q CB -0.420 28.328 28.738 0.015 0.000 0.899 124 Q HN 0.259 nan 8.270 nan 0.000 0.423 125 L N -0.160 121.086 121.223 0.038 0.000 2.017 125 L HA -0.097 4.244 4.340 0.002 0.000 0.208 125 L C 2.134 179.045 176.870 0.067 0.000 1.073 125 L CA 1.780 56.660 54.840 0.066 0.000 0.745 125 L CB -1.061 41.045 42.059 0.078 0.000 0.894 125 L HN 0.451 nan 8.230 nan 0.000 0.432 126 L N -0.478 120.765 121.223 0.032 0.000 2.079 126 L HA -0.191 4.150 4.340 0.002 0.000 0.210 126 L C 2.732 179.606 176.870 0.006 0.000 1.081 126 L CA 2.160 56.996 54.840 -0.005 0.000 0.752 126 L CB -0.866 41.186 42.059 -0.012 0.000 0.896 126 L HN 0.630 nan 8.230 nan 0.000 0.433 127 S N -1.739 113.976 115.700 0.024 0.000 2.383 127 S HA -0.230 4.241 4.470 0.002 0.000 0.227 127 S C 1.903 176.540 174.600 0.062 0.000 1.026 127 S CA 1.107 59.327 58.200 0.034 0.000 0.981 127 S CB -0.634 62.584 63.200 0.030 0.000 0.818 127 S HN 0.646 nan 8.310 nan 0.000 0.472 128 Q N 1.094 120.939 119.800 0.074 0.000 2.119 128 Q HA 0.090 4.431 4.340 0.002 0.000 0.201 128 Q C 2.616 178.718 176.000 0.169 0.000 0.972 128 Q CA 1.305 57.174 55.803 0.110 0.000 0.847 128 Q CB -0.505 28.288 28.738 0.093 0.000 0.903 128 Q HN 0.765 nan 8.270 nan 0.000 0.433 129 A N 1.340 124.244 122.820 0.140 0.000 1.877 129 A HA -0.195 4.126 4.320 0.002 0.000 0.216 129 A C 2.000 179.660 177.584 0.127 0.000 1.186 129 A CA 1.272 53.386 52.037 0.129 0.000 0.620 129 A CB -0.392 18.467 19.000 -0.235 0.000 0.822 129 A HN 0.206 nan 8.150 nan 0.000 0.443 130 R N -0.537 119.997 120.500 0.058 0.000 2.081 130 R HA -0.173 4.168 4.340 0.002 0.000 0.235 130 R C 2.039 178.416 176.300 0.129 0.000 1.131 130 R CA 1.659 57.801 56.100 0.070 0.000 0.960 130 R CB -0.546 29.772 30.300 0.030 0.000 0.856 130 R HN 0.725 nan 8.270 nan 0.000 0.436 131 D N 0.242 120.725 120.400 0.139 0.000 2.104 131 D HA -0.222 4.420 4.640 0.002 0.000 0.194 131 D C 1.672 178.094 176.300 0.203 0.000 0.994 131 D CA 1.105 55.197 54.000 0.152 0.000 0.830 131 D CB -0.089 40.797 40.800 0.144 0.000 0.959 131 D HN 0.148 nan 8.370 nan 0.000 0.452 132 F N 0.814 120.853 119.950 0.149 0.000 2.102 132 F HA -0.081 4.447 4.527 0.002 0.000 0.298 132 F C 1.957 177.903 175.800 0.244 0.000 1.105 132 F CA 1.032 59.156 58.000 0.207 0.000 1.239 132 F CB -0.281 38.844 39.000 0.208 0.000 0.991 132 F HN -0.004 nan 8.300 nan 0.000 0.474 133 I N 0.980 121.561 120.570 0.018 0.000 2.264 133 I HA -0.303 3.869 4.170 0.002 0.000 0.248 133 I C 1.976 178.117 176.117 0.041 0.000 1.111 133 I CA 1.162 62.468 61.300 0.010 0.000 1.382 133 I CB -1.614 36.505 38.000 0.198 0.000 1.060 133 I HN 0.256 nan 8.210 nan 0.000 0.418 134 N N 0.848 119.602 118.700 0.089 0.000 2.142 134 N HA -0.173 4.568 4.740 0.002 0.000 0.186 134 N C 1.840 177.305 175.510 -0.075 0.000 1.023 134 N CA 1.048 54.139 53.050 0.068 0.000 0.852 134 N CB -0.323 38.246 38.487 0.137 0.000 0.998 134 N HN 0.487 nan 8.380 nan 0.000 0.424 135 Q N -0.434 119.337 119.800 -0.049 0.000 2.096 135 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 135 Q C 1.811 177.614 176.000 -0.328 0.000 0.982 135 Q CA 1.402 57.191 55.803 -0.023 0.000 0.850 135 Q CB -0.278 28.591 28.738 0.218 0.000 0.901 135 Q HN 0.443 nan 8.270 nan 0.000 0.422 136 Y N 0.055 119.915 120.300 -0.733 0.000 2.097 136 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 136 Y C 1.756 177.115 175.900 -0.901 0.000 1.152 136 Y CA 1.689 59.060 58.100 -1.214 0.000 1.136 136 Y CB -0.583 37.253 38.460 -1.039 0.000 0.975 136 Y HN 0.095 nan 8.280 nan 0.000 0.498 137 Y N -0.808 119.029 120.300 -0.771 0.000 2.333 137 Y HA -0.182 4.369 4.550 0.002 0.000 0.290 137 Y C 3.025 178.582 175.900 -0.572 0.000 1.144 137 Y CA 1.627 59.271 58.100 -0.759 0.000 1.228 137 Y CB -0.625 37.334 38.460 -0.836 0.000 0.985 137 Y HN 0.217 nan 8.280 nan 0.000 0.542 138 S N -0.652 114.833 115.700 -0.359 0.000 2.387 138 S HA -0.176 4.295 4.470 0.002 0.000 0.226 138 S C 2.353 176.798 174.600 -0.260 0.000 1.026 138 S CA 1.276 59.342 58.200 -0.223 0.000 0.972 138 S CB -0.578 62.545 63.200 -0.128 0.000 0.814 138 S HN 0.583 nan 8.310 nan 0.000 0.477 139 S N 2.081 117.532 115.700 -0.415 0.000 2.399 139 S HA -0.056 4.415 4.470 0.002 0.000 0.231 139 S C 1.653 176.045 174.600 -0.347 0.000 1.022 139 S CA 1.101 59.094 58.200 -0.345 0.000 0.983 139 S CB -0.948 61.935 63.200 -0.529 0.000 0.803 139 S HN 0.801 nan 8.310 nan 0.000 0.480 140 I N -2.058 118.201 120.570 -0.519 0.000 3.855 140 I HA 0.404 4.576 4.170 0.002 0.000 0.327 140 I C -0.310 175.658 176.117 -0.247 0.000 1.359 140 I CA -0.678 60.383 61.300 -0.397 0.000 1.142 140 I CB -0.691 36.974 38.000 -0.559 0.000 1.041 140 I HN -0.005 nan 8.210 nan 0.000 0.403 141 K N 2.316 122.594 120.400 -0.202 0.000 3.653 141 K HA -0.174 4.147 4.320 0.002 0.000 0.275 141 K C -0.117 176.430 176.600 -0.087 0.000 0.962 141 K CA 0.550 56.767 56.287 -0.118 0.000 0.773 141 K CB -1.279 31.171 32.500 -0.084 0.000 1.463 141 K HN 0.637 nan 8.250 nan 0.000 0.450 142 R N -0.249 120.205 120.500 -0.077 0.000 2.521 142 R HA 0.078 4.419 4.340 0.002 0.000 0.436 142 R C -0.699 175.627 176.300 0.042 0.000 0.917 142 R CA -0.325 55.778 56.100 0.006 0.000 1.080 142 R CB 1.041 31.377 30.300 0.061 0.000 1.530 142 R HN 0.098 nan 8.270 nan 0.000 0.596 143 S N -0.062 115.640 115.700 0.003 0.000 2.568 143 S HA 0.275 4.746 4.470 0.002 0.000 0.282 143 S C 1.414 176.093 174.600 0.131 0.000 1.338 143 S CA 1.018 59.258 58.200 0.067 0.000 1.045 143 S CB 1.189 64.411 63.200 0.036 0.000 0.873 143 S HN 0.673 nan 8.310 nan 0.000 0.516 144 G N 1.718 110.678 108.800 0.267 0.000 2.189 144 G HA2 -0.338 3.623 3.960 0.002 0.000 0.267 144 G HA3 -0.338 3.623 3.960 0.002 0.000 0.267 144 G C 0.390 175.291 174.900 0.001 0.000 0.975 144 G CA 0.555 45.686 45.100 0.050 0.000 0.644 144 G HN 1.201 nan 8.290 nan 0.000 0.537 145 S N -0.798 114.918 115.700 0.026 0.000 2.598 145 S HA 0.326 4.798 4.470 0.002 0.000 0.256 145 S C 1.333 175.904 174.600 -0.048 0.000 1.350 145 S CA 0.836 59.033 58.200 -0.005 0.000 0.984 145 S CB 1.077 64.291 63.200 0.023 0.000 0.930 145 S HN 0.603 nan 8.310 nan 0.000 0.577 146 Q N 0.500 120.279 119.800 -0.035 0.000 2.119 146 Q HA -0.056 4.285 4.340 0.002 0.000 0.201 146 Q C 2.247 178.211 176.000 -0.061 0.000 0.972 146 Q CA 1.307 57.082 55.803 -0.045 0.000 0.847 146 Q CB -0.736 27.990 28.738 -0.020 0.000 0.903 146 Q HN 0.918 nan 8.270 nan 0.000 0.433 147 A N 0.080 122.877 122.820 -0.037 0.000 1.902 147 A HA -0.249 4.072 4.320 0.002 0.000 0.217 147 A C 1.868 179.296 177.584 -0.261 0.000 1.181 147 A CA 1.699 53.724 52.037 -0.020 0.000 0.623 147 A CB -1.057 18.040 19.000 0.162 0.000 0.818 147 A HN 0.699 nan 8.150 nan 0.000 0.443 148 H N -0.673 117.955 119.070 -0.736 0.000 2.290 148 H HA -0.143 4.414 4.556 0.002 0.000 0.298 148 H C 2.000 177.024 175.328 -0.506 0.000 1.087 148 H CA 1.338 56.688 56.048 -1.162 0.000 1.291 148 H CB 0.135 29.391 29.762 -0.844 0.000 1.369 148 H HN 0.402 nan 8.280 nan 0.000 0.492 149 E N 0.788 120.803 120.200 -0.308 0.000 2.085 149 E HA -0.174 4.177 4.350 0.002 0.000 0.194 149 E C 2.142 178.648 176.600 -0.156 0.000 0.994 149 E CA 1.096 57.337 56.400 -0.265 0.000 0.801 149 E CB -0.260 29.327 29.700 -0.188 0.000 0.743 149 E HN 0.676 nan 8.360 nan 0.000 0.453 150 E N 0.263 120.399 120.200 -0.107 0.000 2.110 150 E HA -0.185 4.166 4.350 0.002 0.000 0.193 150 E C 2.174 178.764 176.600 -0.017 0.000 0.988 150 E CA 0.897 57.269 56.400 -0.046 0.000 0.804 150 E CB -0.025 29.666 29.700 -0.016 0.000 0.745 150 E HN -0.074 nan 8.360 nan 0.000 0.458 151 R N 1.187 121.681 120.500 -0.009 0.000 2.075 151 R HA -0.076 4.265 4.340 0.002 0.000 0.232 151 R C 2.059 178.385 176.300 0.042 0.000 1.126 151 R CA 1.182 57.327 56.100 0.075 0.000 0.963 151 R CB -0.626 29.798 30.300 0.206 0.000 0.858 151 R HN 0.154 nan 8.270 nan 0.000 0.435 152 L N 0.363 121.580 121.223 -0.010 0.000 2.079 152 L HA -0.231 4.110 4.340 0.002 0.000 0.210 152 L C 2.525 179.365 176.870 -0.049 0.000 1.081 152 L CA 1.735 56.552 54.840 -0.038 0.000 0.752 152 L CB -0.448 41.545 42.059 -0.111 0.000 0.896 152 L HN 0.348 nan 8.230 nan 0.000 0.433 153 Q N -0.332 119.440 119.800 -0.047 0.000 2.079 153 Q HA -0.210 4.131 4.340 0.002 0.000 0.200 153 Q C 2.078 178.070 176.000 -0.012 0.000 0.974 153 Q CA 1.407 57.190 55.803 -0.034 0.000 0.840 153 Q CB -0.133 28.586 28.738 -0.032 0.000 0.898 153 Q HN 0.561 nan 8.270 nan 0.000 0.430 154 E N 0.316 120.521 120.200 0.008 0.000 2.038 154 E HA -0.189 4.162 4.350 0.002 0.000 0.195 154 E C 2.176 178.792 176.600 0.027 0.000 1.000 154 E CA 1.572 57.993 56.400 0.034 0.000 0.803 154 E CB -0.136 29.603 29.700 0.064 0.000 0.750 154 E HN 0.120 nan 8.360 nan 0.000 0.448 155 V N 2.027 121.933 119.914 -0.014 0.000 2.287 155 V HA -0.264 3.857 4.120 0.002 0.000 0.248 155 V C 2.281 178.311 176.094 -0.106 0.000 1.053 155 V CA 1.837 64.063 62.300 -0.123 0.000 1.027 155 V CB -0.530 31.120 31.823 -0.287 0.000 0.646 155 V HN 0.237 nan 8.190 nan 0.000 0.447 156 E N 0.400 120.555 120.200 -0.076 0.000 2.038 156 E HA -0.261 4.091 4.350 0.002 0.000 0.195 156 E C 2.405 178.997 176.600 -0.013 0.000 1.000 156 E CA 1.656 58.027 56.400 -0.048 0.000 0.803 156 E CB -0.547 29.130 29.700 -0.040 0.000 0.750 156 E HN 0.580 nan 8.360 nan 0.000 0.448 157 A N 1.408 124.229 122.820 0.001 0.000 1.883 157 A HA -0.264 4.057 4.320 0.002 0.000 0.217 157 A C 2.099 179.708 177.584 0.042 0.000 1.186 157 A CA 1.912 53.961 52.037 0.020 0.000 0.624 157 A CB -0.581 18.433 19.000 0.024 0.000 0.822 157 A HN 0.252 nan 8.150 nan 0.000 0.444 158 E N -0.652 119.586 120.200 0.064 0.000 2.077 158 E HA -0.115 4.236 4.350 0.002 0.000 0.193 158 E C 2.014 178.677 176.600 0.106 0.000 0.989 158 E CA 1.282 57.747 56.400 0.109 0.000 0.800 158 E CB -0.130 29.680 29.700 0.183 0.000 0.746 158 E HN 0.377 nan 8.360 nan 0.000 0.452 159 V N 1.037 121.002 119.914 0.085 0.000 2.295 159 V HA -0.278 3.843 4.120 0.002 0.000 0.246 159 V C 2.332 178.457 176.094 0.051 0.000 1.049 159 V CA 1.829 64.176 62.300 0.078 0.000 1.024 159 V CB -0.736 31.114 31.823 0.045 0.000 0.648 159 V HN 0.366 nan 8.190 nan 0.000 0.447 160 A N -0.406 122.435 122.820 0.034 0.000 1.940 160 A HA -0.211 4.111 4.320 0.002 0.000 0.219 160 A C 2.426 180.029 177.584 0.031 0.000 1.176 160 A CA 2.469 54.521 52.037 0.026 0.000 0.631 160 A CB -0.530 18.480 19.000 0.016 0.000 0.814 160 A HN 0.539 nan 8.150 nan 0.000 0.446 161 S N -1.451 114.273 115.700 0.040 0.000 2.439 161 S HA -0.022 4.449 4.470 0.002 0.000 0.224 161 S C 1.844 176.472 174.600 0.048 0.000 1.029 161 S CA 1.394 59.618 58.200 0.041 0.000 0.946 161 S CB 0.005 63.230 63.200 0.043 0.000 0.797 161 S HN 0.887 nan 8.310 nan 0.000 0.504 162 T N -2.796 111.795 114.554 0.062 0.000 2.975 162 T HA 0.474 4.825 4.350 0.002 0.000 0.257 162 T C 1.459 176.193 174.700 0.058 0.000 1.003 162 T CA 0.795 62.935 62.100 0.066 0.000 0.932 162 T CB 0.522 69.447 68.868 0.094 0.000 1.087 162 T HN 0.491 nan 8.240 nan 0.000 0.512 163 G N 0.370 109.204 108.800 0.057 0.000 2.179 163 G HA2 -0.194 3.767 3.960 0.002 0.000 0.260 163 G HA3 -0.194 3.767 3.960 0.002 0.000 0.260 163 G C 0.182 175.114 174.900 0.053 0.000 0.977 163 G CA 0.568 45.696 45.100 0.047 0.000 0.641 163 G HN 1.017 nan 8.290 nan 0.000 0.533 164 T N -1.437 113.162 114.554 0.075 0.000 2.671 164 T HA 0.724 5.075 4.350 0.002 0.000 0.300 164 T C -1.141 173.652 174.700 0.155 0.000 1.238 164 T CA 0.406 62.540 62.100 0.056 0.000 1.020 164 T CB 1.543 70.369 68.868 -0.071 0.000 1.503 164 T HN 1.539 nan 8.240 nan 0.000 0.497 165 Y N -0.838 119.380 120.300 -0.135 0.000 2.764 165 Y HA 0.827 5.378 4.550 0.002 0.000 0.331 165 Y C -1.673 174.043 175.900 -0.308 0.000 1.280 165 Y CA -1.181 56.881 58.100 -0.063 0.000 1.065 165 Y CB 0.863 39.334 38.460 0.019 0.000 1.319 165 Y HN 0.769 nan 8.280 nan 0.000 0.453 166 H N 0.528 119.664 119.070 0.109 0.000 2.768 166 H HA 0.652 5.209 4.556 0.002 0.000 0.371 166 H C -1.075 174.337 175.328 0.139 0.000 1.151 166 H CA -0.794 55.253 56.048 -0.002 0.000 1.165 166 H CB 2.028 31.816 29.762 0.044 0.000 1.722 166 H HN 0.711 nan 8.280 nan 0.000 0.543 167 L N 2.226 123.548 121.223 0.165 0.000 2.379 167 L HA 0.498 4.839 4.340 0.002 0.000 0.269 167 L C 0.472 177.427 176.870 0.142 0.000 1.084 167 L CA -0.766 54.191 54.840 0.194 0.000 0.802 167 L CB 0.778 42.919 42.059 0.137 0.000 1.175 167 L HN 0.430 nan 8.230 nan 0.000 0.448 168 R N 0.890 121.448 120.500 0.097 0.000 2.500 168 R HA 0.098 4.439 4.340 0.002 0.000 0.277 168 R C 0.804 177.101 176.300 -0.004 0.000 1.026 168 R CA -0.529 55.596 56.100 0.042 0.000 1.058 168 R CB 1.368 31.682 30.300 0.023 0.000 1.078 168 R HN 0.664 nan 8.270 nan 0.000 0.509 169 E N 1.419 121.614 120.200 -0.008 0.000 2.114 169 E HA -0.262 4.089 4.350 0.002 0.000 0.199 169 E C 1.439 178.019 176.600 -0.033 0.000 1.008 169 E CA 2.359 58.742 56.400 -0.028 0.000 0.810 169 E CB 0.105 29.793 29.700 -0.020 0.000 0.739 169 E HN 0.681 nan 8.360 nan 0.000 0.456 170 S N 0.053 115.730 115.700 -0.038 0.000 2.382 170 S HA -0.206 4.265 4.470 0.002 0.000 0.228 170 S C 1.762 176.308 174.600 -0.091 0.000 1.027 170 S CA 1.357 59.545 58.200 -0.019 0.000 0.991 170 S CB -0.335 62.877 63.200 0.021 0.000 0.823 170 S HN 0.394 nan 8.310 nan 0.000 0.469 171 E N 0.953 120.990 120.200 -0.273 0.000 2.107 171 E HA 0.001 4.352 4.350 0.002 0.000 0.191 171 E C 2.054 178.767 176.600 0.188 0.000 0.982 171 E CA 0.924 57.182 56.400 -0.236 0.000 0.809 171 E CB -0.335 29.262 29.700 -0.172 0.000 0.756 171 E HN 0.431 nan 8.360 nan 0.000 0.459 172 L N 1.071 122.320 121.223 0.043 0.000 2.046 172 L HA -0.167 4.174 4.340 0.002 0.000 0.208 172 L C 2.201 179.056 176.870 -0.025 0.000 1.077 172 L CA 1.410 56.220 54.840 -0.051 0.000 0.747 172 L CB -0.320 41.646 42.059 -0.156 0.000 0.896 172 L HN -0.064 nan 8.230 nan 0.000 0.432 173 V N -0.421 119.506 119.914 0.020 0.000 2.295 173 V HA -0.318 3.803 4.120 0.002 0.000 0.246 173 V C 2.344 178.526 176.094 0.147 0.000 1.049 173 V CA 2.187 64.513 62.300 0.043 0.000 1.024 173 V CB -1.005 30.846 31.823 0.047 0.000 0.648 173 V HN 0.582 nan 8.190 nan 0.000 0.447 174 F N 2.152 122.175 119.950 0.123 0.000 2.126 174 F HA -0.076 4.453 4.527 0.002 0.000 0.299 174 F C 2.147 178.090 175.800 0.238 0.000 1.096 174 F CA 1.742 59.872 58.000 0.217 0.000 1.255 174 F CB -0.930 38.267 39.000 0.328 0.000 0.997 174 F HN 0.121 nan 8.300 nan 0.000 0.479 175 G N -0.274 108.603 108.800 0.129 0.000 2.418 175 G HA2 -0.191 3.770 3.960 0.002 0.000 0.217 175 G HA3 -0.191 3.770 3.960 0.002 0.000 0.217 175 G C 1.828 176.607 174.900 -0.201 0.000 1.158 175 G CA 0.825 45.888 45.100 -0.062 0.000 0.771 175 G HN 0.644 nan 8.290 nan 0.000 0.545 176 A N 0.940 123.676 122.820 -0.139 0.000 1.902 176 A HA -0.004 4.317 4.320 0.002 0.000 0.217 176 A C 2.307 179.903 177.584 0.020 0.000 1.181 176 A CA 1.950 53.918 52.037 -0.114 0.000 0.623 176 A CB -0.346 18.614 19.000 -0.065 0.000 0.818 176 A HN 0.380 nan 8.150 nan 0.000 0.443 177 K N -0.722 119.723 120.400 0.075 0.000 2.097 177 K HA -0.125 4.196 4.320 0.002 0.000 0.206 177 K C 2.250 178.934 176.600 0.140 0.000 1.049 177 K CA 1.275 57.713 56.287 0.252 0.000 0.933 177 K CB -0.123 32.560 32.500 0.306 0.000 0.717 177 K HN 0.395 nan 8.250 nan 0.000 0.442 178 Q N 0.206 119.909 119.800 -0.161 0.000 2.119 178 Q HA -0.052 4.289 4.340 0.002 0.000 0.201 178 Q C 2.210 178.074 176.000 -0.226 0.000 0.972 178 Q CA 1.391 57.001 55.803 -0.322 0.000 0.847 178 Q CB -0.231 28.204 28.738 -0.505 0.000 0.903 178 Q HN 0.321 nan 8.270 nan 0.000 0.433 179 A N 0.238 122.927 122.820 -0.217 0.000 1.902 179 A HA -0.185 4.137 4.320 0.002 0.000 0.217 179 A C 1.812 179.420 177.584 0.040 0.000 1.181 179 A CA 1.395 53.255 52.037 -0.296 0.000 0.623 179 A CB -0.910 17.588 19.000 -0.836 0.000 0.818 179 A HN 0.531 nan 8.150 nan 0.000 0.443 180 W N 0.926 122.240 121.300 0.024 0.000 2.379 180 W HA -0.099 4.562 4.660 0.002 0.000 0.307 180 W C 2.315 178.797 176.519 -0.063 0.000 1.200 180 W CA 1.431 58.825 57.345 0.081 0.000 1.297 180 W CB -0.680 28.823 29.460 0.073 0.000 1.140 180 W HN 0.363 nan 8.180 nan 0.000 0.507 181 R N 0.399 120.815 120.500 -0.140 0.000 2.105 181 R HA -0.192 4.149 4.340 0.002 0.000 0.239 181 R C 1.546 177.672 176.300 -0.291 0.000 1.135 181 R CA 1.877 57.663 56.100 -0.524 0.000 0.967 181 R CB -0.554 29.112 30.300 -1.057 0.000 0.861 181 R HN 0.109 nan 8.270 nan 0.000 0.442 182 N N 0.342 118.933 118.700 -0.182 0.000 2.463 182 N HA 0.015 4.756 4.740 0.002 0.000 0.181 182 N C -0.253 175.208 175.510 -0.082 0.000 1.078 182 N CA 0.671 53.640 53.050 -0.135 0.000 0.902 182 N CB 0.322 38.731 38.487 -0.129 0.000 0.970 182 N HN 0.171 nan 8.380 nan 0.000 0.451 183 A N 2.239 125.060 122.820 0.002 0.000 2.496 183 A HA 0.196 4.517 4.320 0.002 0.000 0.278 183 A C -1.227 176.336 177.584 -0.036 0.000 1.137 183 A CA -0.862 51.177 52.037 0.004 0.000 0.805 183 A CB 0.246 19.295 19.000 0.081 0.000 1.077 183 A HN 0.021 nan 8.150 nan 0.000 0.513 184 P HA -0.126 nan 4.420 nan 0.000 0.218 184 P C 1.134 178.390 177.300 -0.073 0.000 1.149 184 P CA 1.169 64.212 63.100 -0.094 0.000 0.817 184 P CB 0.151 31.760 31.700 -0.151 0.000 0.785 185 R N -2.105 118.315 120.500 -0.133 0.000 2.297 185 R HA 0.123 4.464 4.340 0.002 0.000 0.197 185 R C 0.414 176.713 176.300 -0.001 0.000 0.943 185 R CA -0.085 55.961 56.100 -0.090 0.000 1.038 185 R CB -0.512 29.565 30.300 -0.373 0.000 0.957 185 R HN 0.186 nan 8.270 nan 0.000 0.484 186 C N 0.615 119.902 119.300 -0.022 0.000 2.325 186 C HA 0.206 4.667 4.460 0.002 0.000 0.347 186 C C 1.867 176.798 174.990 -0.099 0.000 1.263 186 C CA -0.638 58.386 59.018 0.010 0.000 1.806 186 C CB 0.567 28.383 27.740 0.127 0.000 2.405 186 C HN 0.278 nan 8.230 nan 0.000 0.537 187 V N 6.032 125.844 119.914 -0.169 0.000 3.541 187 V HA 0.230 4.351 4.120 0.002 0.000 0.267 187 V C 1.701 177.793 176.094 -0.003 0.000 1.213 187 V CA 1.904 64.001 62.300 -0.337 0.000 1.149 187 V CB -0.097 31.552 31.823 -0.291 0.000 0.822 187 V HN 1.076 nan 8.190 nan 0.000 0.462 188 G N -0.620 108.221 108.800 0.069 0.000 3.523 188 G HA2 0.084 4.046 3.960 0.002 0.000 0.270 188 G HA3 0.084 4.046 3.960 0.002 0.000 0.270 188 G C 1.162 176.106 174.900 0.072 0.000 1.134 188 G CA -0.368 44.797 45.100 0.108 0.000 0.825 188 G HN 0.419 nan 8.290 nan 0.000 0.534 189 R N -0.174 120.277 120.500 -0.081 0.000 2.328 189 R HA 0.123 4.464 4.340 0.002 0.000 0.207 189 R C 1.974 177.880 176.300 -0.656 0.000 1.056 189 R CA 0.157 55.917 56.100 -0.566 0.000 1.016 189 R CB -0.126 29.803 30.300 -0.617 0.000 0.872 189 R HN 0.459 nan 8.270 nan 0.000 0.471 190 I N 0.869 121.232 120.570 -0.344 0.000 2.614 190 I HA -0.239 3.932 4.170 0.002 0.000 0.258 190 I C 1.340 177.387 176.117 -0.117 0.000 1.189 190 I CA 1.246 62.497 61.300 -0.081 0.000 1.462 190 I CB 0.179 38.224 38.000 0.074 0.000 1.092 190 I HN 0.188 nan 8.210 nan 0.000 0.442 191 Q N 0.504 120.172 119.800 -0.219 0.000 2.403 191 Q HA -0.105 4.236 4.340 0.002 0.000 0.203 191 Q C 1.659 177.291 176.000 -0.613 0.000 0.932 191 Q CA 0.459 56.129 55.803 -0.221 0.000 0.945 191 Q CB -0.233 28.542 28.738 0.062 0.000 1.045 191 Q HN 0.793 nan 8.270 nan 0.000 0.511 192 W N 0.342 120.942 121.300 -1.166 0.000 2.313 192 W HA -0.176 4.486 4.660 0.002 0.000 0.293 192 W C 1.199 177.459 176.519 -0.432 0.000 1.216 192 W CA 1.246 57.794 57.345 -1.328 0.000 1.223 192 W CB -1.334 27.513 29.460 -1.023 0.000 1.138 192 W HN 0.076 nan 8.180 nan 0.000 0.535 193 G N 1.262 109.391 108.800 -1.117 0.000 2.484 193 G HA2 -0.151 3.811 3.960 0.002 0.000 0.218 193 G HA3 -0.151 3.811 3.960 0.002 0.000 0.218 193 G C 0.833 175.531 174.900 -0.336 0.000 1.130 193 G CA 0.058 44.594 45.100 -0.940 0.000 0.784 193 G HN 0.223 nan 8.290 nan 0.000 0.543 194 K N 0.304 120.605 120.400 -0.165 0.000 2.356 194 K HA 0.446 4.768 4.320 0.002 0.000 0.243 194 K C -1.559 175.155 176.600 0.189 0.000 1.072 194 K CA -0.495 55.803 56.287 0.019 0.000 1.014 194 K CB 1.309 33.844 32.500 0.057 0.000 1.523 194 K HN 0.094 nan 8.250 nan 0.000 0.455 195 L N 2.023 123.343 121.223 0.162 0.000 2.406 195 L HA 0.275 4.616 4.340 0.002 0.000 0.272 195 L C -1.048 175.822 176.870 -0.001 0.000 0.980 195 L CA -0.551 54.400 54.840 0.184 0.000 0.831 195 L CB 1.851 44.099 42.059 0.315 0.000 1.253 195 L HN 0.293 nan 8.230 nan 0.000 0.406 196 Q N 3.255 122.999 119.800 -0.093 0.000 2.307 196 Q HA 0.467 4.808 4.340 0.002 0.000 0.259 196 Q C -1.443 174.200 176.000 -0.594 0.000 0.998 196 Q CA 0.001 55.569 55.803 -0.391 0.000 0.923 196 Q CB 1.052 29.470 28.738 -0.533 0.000 1.196 196 Q HN 0.539 nan 8.270 nan 0.000 0.416 197 V N 6.355 125.939 119.914 -0.550 0.000 2.350 197 V HA 0.380 4.501 4.120 0.002 0.000 0.276 197 V C -0.685 175.070 176.094 -0.564 0.000 1.028 197 V CA -0.517 61.515 62.300 -0.447 0.000 0.860 197 V CB 0.233 31.923 31.823 -0.221 0.000 0.990 197 V HN 0.615 nan 8.190 nan 0.000 0.453 198 F N 2.697 122.521 119.950 -0.209 0.000 2.404 198 F HA 0.383 4.911 4.527 0.002 0.000 0.354 198 F C 0.480 176.129 175.800 -0.251 0.000 1.122 198 F CA -1.142 56.733 58.000 -0.209 0.000 1.080 198 F CB 1.080 39.960 39.000 -0.200 0.000 1.131 198 F HN 0.418 nan 8.300 nan 0.000 0.471 199 D N 3.104 123.485 120.400 -0.032 0.000 2.365 199 D HA 0.384 5.026 4.640 0.002 0.000 0.237 199 D C 0.103 176.263 176.300 -0.234 0.000 1.190 199 D CA 0.073 53.983 54.000 -0.150 0.000 0.867 199 D CB 1.144 41.892 40.800 -0.087 0.000 1.050 199 D HN 0.615 nan 8.370 nan 0.000 0.491 200 A N 4.584 127.088 122.820 -0.526 0.000 2.637 200 A HA 0.164 4.485 4.320 0.002 0.000 0.293 200 A C 1.553 178.797 177.584 -0.567 0.000 1.216 200 A CA -0.400 51.050 52.037 -0.978 0.000 0.956 200 A CB 0.032 17.950 19.000 -1.803 0.000 1.174 200 A HN 0.554 nan 8.150 nan 0.000 0.525 201 R N 0.077 120.398 120.500 -0.297 0.000 2.280 201 R HA -0.062 4.279 4.340 0.002 0.000 0.207 201 R C 0.069 176.314 176.300 -0.090 0.000 1.043 201 R CA 0.945 56.951 56.100 -0.157 0.000 1.006 201 R CB 0.005 30.273 30.300 -0.054 0.000 0.885 201 R HN 0.459 nan 8.270 nan 0.000 0.467 202 D N 0.411 120.779 120.400 -0.053 0.000 2.943 202 D HA 0.043 4.684 4.640 0.002 0.000 0.249 202 D C -1.390 174.981 176.300 0.118 0.000 1.231 202 D CA -0.287 53.742 54.000 0.050 0.000 0.979 202 D CB -0.041 40.816 40.800 0.095 0.000 1.053 202 D HN 0.024 nan 8.370 nan 0.000 0.504 203 C N 1.431 120.761 119.300 0.049 0.000 2.431 203 C HA 0.659 5.121 4.460 0.002 0.000 0.321 203 C C 0.770 175.859 174.990 0.166 0.000 1.202 203 C CA -0.272 58.828 59.018 0.137 0.000 1.398 203 C CB 0.721 28.512 27.740 0.084 0.000 2.047 203 C HN 0.498 nan 8.230 nan 0.000 0.465 204 S N 2.384 118.241 115.700 0.262 0.000 2.819 204 S HA 0.415 4.886 4.470 0.002 0.000 0.249 204 S C -0.102 174.672 174.600 0.290 0.000 1.030 204 S CA 0.259 58.656 58.200 0.327 0.000 1.052 204 S CB -0.245 63.079 63.200 0.207 0.000 1.017 204 S HN 1.506 nan 8.310 nan 0.000 0.576 205 S N -0.583 115.291 115.700 0.289 0.000 2.565 205 S HA 0.795 5.266 4.470 0.002 0.000 0.269 205 S C 0.818 175.518 174.600 0.167 0.000 1.153 205 S CA -0.354 57.959 58.200 0.189 0.000 0.835 205 S CB 0.904 64.188 63.200 0.141 0.000 1.122 205 S HN 0.553 nan 8.310 nan 0.000 0.462 206 A N 0.970 123.860 122.820 0.118 0.000 1.908 206 A HA -0.129 4.193 4.320 0.002 0.000 0.218 206 A C 2.134 179.697 177.584 -0.035 0.000 1.181 206 A CA 2.070 54.155 52.037 0.079 0.000 0.627 206 A CB -1.216 17.897 19.000 0.189 0.000 0.818 206 A HN 0.957 nan 8.150 nan 0.000 0.445 207 Q N -0.324 119.541 119.800 0.107 0.000 2.135 207 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 207 Q C 1.855 177.863 176.000 0.013 0.000 0.981 207 Q CA 1.959 57.789 55.803 0.046 0.000 0.856 207 Q CB -0.173 28.686 28.738 0.203 0.000 0.902 207 Q HN 0.782 nan 8.270 nan 0.000 0.425 208 E N -0.199 120.055 120.200 0.089 0.000 2.106 208 E HA -0.160 4.191 4.350 0.002 0.000 0.192 208 E C 2.049 178.799 176.600 0.249 0.000 0.984 208 E CA 1.169 57.661 56.400 0.153 0.000 0.806 208 E CB -0.046 29.789 29.700 0.225 0.000 0.750 208 E HN 0.471 nan 8.360 nan 0.000 0.458 209 M N -0.046 119.634 119.600 0.133 0.000 2.117 209 M HA -0.162 4.319 4.480 0.002 0.000 0.262 209 M C 2.151 178.486 176.300 0.058 0.000 1.065 209 M CA 1.437 56.752 55.300 0.026 0.000 1.114 209 M CB -0.293 32.093 32.600 -0.356 0.000 1.361 209 M HN 0.143 nan 8.290 nan 0.000 0.408 210 F N 0.840 120.586 119.950 -0.340 0.000 2.134 210 F HA -0.247 4.281 4.527 0.002 0.000 0.299 210 F C 2.266 177.964 175.800 -0.170 0.000 1.097 210 F CA 1.737 59.483 58.000 -0.424 0.000 1.264 210 F CB -0.159 38.258 39.000 -0.971 0.000 1.001 210 F HN 0.041 nan 8.300 nan 0.000 0.479 211 T N -0.445 113.998 114.554 -0.185 0.000 2.746 211 T HA -0.234 4.117 4.350 0.002 0.000 0.267 211 T C 1.537 176.096 174.700 -0.235 0.000 1.039 211 T CA 1.855 63.791 62.100 -0.273 0.000 1.142 211 T CB -0.707 68.043 68.868 -0.197 0.000 0.866 211 T HN 0.351 nan 8.240 nan 0.000 0.444 212 Y N 0.882 121.137 120.300 -0.076 0.000 2.181 212 Y HA -0.029 4.523 4.550 0.002 0.000 0.288 212 Y C 2.285 178.145 175.900 -0.067 0.000 1.146 212 Y CA 0.854 58.921 58.100 -0.055 0.000 1.164 212 Y CB -0.378 38.143 38.460 0.102 0.000 0.982 212 Y HN 0.159 nan 8.280 nan 0.000 0.515 213 I N -1.410 119.253 120.570 0.154 0.000 2.226 213 I HA -0.368 3.803 4.170 0.002 0.000 0.245 213 I C 2.251 178.307 176.117 -0.101 0.000 1.100 213 I CA 1.002 62.328 61.300 0.044 0.000 1.374 213 I CB -0.491 37.519 38.000 0.018 0.000 1.057 213 I HN 0.325 nan 8.210 nan 0.000 0.413 214 C N 0.707 119.828 119.300 -0.298 0.000 2.425 214 C HA -0.117 4.344 4.460 0.002 0.000 0.277 214 C C 2.586 177.474 174.990 -0.170 0.000 1.280 214 C CA 0.749 59.581 59.018 -0.310 0.000 1.744 214 C CB -1.384 26.047 27.740 -0.515 0.000 1.989 214 C HN 0.549 nan 8.230 nan 0.000 0.491 215 N N -0.105 118.484 118.700 -0.185 0.000 2.244 215 N HA -0.121 4.620 4.740 0.002 0.000 0.183 215 N C 1.427 176.839 175.510 -0.164 0.000 1.016 215 N CA 1.231 54.163 53.050 -0.197 0.000 0.866 215 N CB -0.738 37.565 38.487 -0.307 0.000 0.980 215 N HN 0.752 nan 8.380 nan 0.000 0.430 216 H N 0.781 119.716 119.070 -0.225 0.000 2.293 216 H HA 0.064 4.621 4.556 0.002 0.000 0.300 216 H C 2.120 177.477 175.328 0.049 0.000 1.082 216 H CA 1.529 57.514 56.048 -0.105 0.000 1.308 216 H CB -0.041 29.710 29.762 -0.018 0.000 1.375 216 H HN 0.062 nan 8.280 nan 0.000 0.495 217 I N 0.719 121.439 120.570 0.250 0.000 2.208 217 I HA -0.281 3.891 4.170 0.002 0.000 0.245 217 I C 2.352 178.545 176.117 0.126 0.000 1.097 217 I CA 1.432 62.836 61.300 0.174 0.000 1.363 217 I CB -0.258 37.766 38.000 0.040 0.000 1.051 217 I HN 0.345 nan 8.210 nan 0.000 0.413 218 K N 0.013 120.455 120.400 0.070 0.000 2.002 218 K HA -0.241 4.080 4.320 0.002 0.000 0.209 218 K C 2.245 178.895 176.600 0.083 0.000 1.048 218 K CA 1.842 58.158 56.287 0.049 0.000 0.930 218 K CB -0.510 31.996 32.500 0.010 0.000 0.714 218 K HN 0.250 nan 8.250 nan 0.000 0.438 219 Y N 1.580 121.887 120.300 0.011 0.000 2.114 219 Y HA -0.270 4.281 4.550 0.002 0.000 0.284 219 Y C 2.310 178.267 175.900 0.096 0.000 1.143 219 Y CA 1.670 59.807 58.100 0.062 0.000 1.135 219 Y CB -0.415 38.116 38.460 0.118 0.000 0.980 219 Y HN 0.066 nan 8.280 nan 0.000 0.499 220 A N -0.717 122.270 122.820 0.280 0.000 1.902 220 A HA -0.182 4.139 4.320 0.002 0.000 0.217 220 A C 2.207 179.860 177.584 0.114 0.000 1.181 220 A CA 2.312 54.481 52.037 0.219 0.000 0.623 220 A CB -1.333 17.863 19.000 0.327 0.000 0.818 220 A HN 0.537 nan 8.150 nan 0.000 0.443 221 T N -0.472 114.145 114.554 0.104 0.000 2.737 221 T HA -0.112 4.239 4.350 0.002 0.000 0.265 221 T C 1.034 175.743 174.700 0.016 0.000 1.038 221 T CA 1.006 63.153 62.100 0.079 0.000 1.144 221 T CB -0.526 68.386 68.868 0.073 0.000 0.866 221 T HN 0.744 nan 8.240 nan 0.000 0.434 222 N N 0.815 119.494 118.700 -0.035 0.000 2.714 222 N HA -0.287 4.454 4.740 0.002 0.000 0.252 222 N C -0.731 174.752 175.510 -0.045 0.000 1.014 222 N CA -0.043 52.960 53.050 -0.079 0.000 0.735 222 N CB -0.333 38.068 38.487 -0.144 0.000 0.924 222 N HN 0.173 nan 8.380 nan 0.000 0.540 223 R N -2.370 118.116 120.500 -0.023 0.000 3.758 223 R HA -0.219 4.122 4.340 0.002 0.000 0.299 223 R C 1.265 177.551 176.300 -0.024 0.000 1.182 223 R CA 1.585 57.672 56.100 -0.022 0.000 0.809 223 R CB -2.411 27.872 30.300 -0.028 0.000 1.249 223 R HN 1.030 nan 8.270 nan 0.000 0.497 224 G N -0.379 108.415 108.800 -0.010 0.000 2.232 224 G HA2 -0.327 3.634 3.960 0.002 0.000 0.226 224 G HA3 -0.327 3.634 3.960 0.002 0.000 0.226 224 G C 0.068 174.958 174.900 -0.016 0.000 0.996 224 G CA 0.183 45.278 45.100 -0.009 0.000 0.626 224 G HN 0.476 nan 8.290 nan 0.000 0.509 225 N N 1.124 119.802 118.700 -0.036 0.000 3.229 225 N HA 0.434 5.176 4.740 0.002 0.000 0.275 225 N C 0.287 175.767 175.510 -0.050 0.000 1.225 225 N CA -0.737 52.273 53.050 -0.067 0.000 1.119 225 N CB -0.102 38.340 38.487 -0.075 0.000 1.392 225 N HN 0.138 nan 8.380 nan 0.000 0.520 226 L N 2.067 123.290 121.223 0.001 0.000 2.573 226 L HA -0.016 4.326 4.340 0.002 0.000 0.290 226 L C 0.652 177.628 176.870 0.176 0.000 1.247 226 L CA 1.180 56.093 54.840 0.121 0.000 0.876 226 L CB 0.101 42.326 42.059 0.277 0.000 1.123 226 L HN 0.370 nan 8.230 nan 0.000 0.505 227 R N 1.378 122.005 120.500 0.212 0.000 2.575 227 R HA 0.433 4.774 4.340 0.002 0.000 0.293 227 R C -0.614 175.880 176.300 0.322 0.000 0.983 227 R CA -0.703 55.551 56.100 0.258 0.000 0.887 227 R CB 1.726 32.039 30.300 0.022 0.000 1.184 227 R HN 0.576 nan 8.270 nan 0.000 0.445 228 S N 1.422 117.317 115.700 0.325 0.000 2.549 228 S HA 0.453 4.924 4.470 0.002 0.000 0.286 228 S C -0.229 174.442 174.600 0.118 0.000 1.314 228 S CA -0.100 58.179 58.200 0.132 0.000 1.062 228 S CB 1.130 64.359 63.200 0.048 0.000 0.865 228 S HN 0.699 nan 8.310 nan 0.000 0.498 229 A N 2.516 125.360 122.820 0.040 0.000 2.610 229 A HA 0.823 5.145 4.320 0.002 0.000 0.291 229 A C -1.329 176.282 177.584 0.044 0.000 1.086 229 A CA -0.654 51.347 52.037 -0.060 0.000 0.677 229 A CB 1.154 20.065 19.000 -0.149 0.000 1.278 229 A HN 0.793 nan 8.150 nan 0.000 0.414 230 I N 0.191 120.770 120.570 0.015 0.000 2.752 230 I HA 0.657 4.828 4.170 0.002 0.000 0.295 230 I C -1.260 174.952 176.117 0.158 0.000 1.219 230 I CA -0.121 61.309 61.300 0.216 0.000 1.030 230 I CB 2.452 40.541 38.000 0.149 0.000 1.259 230 I HN 0.621 nan 8.210 nan 0.000 0.423 231 T N 6.018 120.699 114.554 0.211 0.000 2.812 231 T HA 0.480 4.831 4.350 0.002 0.000 0.282 231 T C -0.898 173.611 174.700 -0.318 0.000 0.990 231 T CA -0.374 61.705 62.100 -0.035 0.000 0.960 231 T CB 1.672 70.523 68.868 -0.028 0.000 0.948 231 T HN 0.260 nan 8.240 nan 0.000 0.438 232 V N 4.957 124.598 119.914 -0.455 0.000 2.328 232 V HA 0.483 4.604 4.120 0.002 0.000 0.278 232 V C -0.453 175.290 176.094 -0.585 0.000 1.021 232 V CA -0.803 61.222 62.300 -0.458 0.000 0.838 232 V CB 0.040 31.558 31.823 -0.509 0.000 0.999 232 V HN 0.720 nan 8.190 nan 0.000 0.447 233 F N 5.051 124.900 119.950 -0.168 0.000 2.362 233 F HA 0.495 5.023 4.527 0.002 0.000 0.311 233 F C -1.781 173.910 175.800 -0.181 0.000 1.161 233 F CA -2.465 55.370 58.000 -0.275 0.000 1.085 233 F CB 0.131 38.980 39.000 -0.251 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.048 nan 4.420 nan 0.000 0.263 234 P C -0.915 176.448 177.300 0.105 0.000 1.175 234 P CA 0.044 63.066 63.100 -0.131 0.000 0.761 234 P CB 0.161 31.563 31.700 -0.497 0.000 0.794 235 Q N 3.714 123.571 119.800 0.095 0.000 2.524 235 Q HA 0.134 4.475 4.340 0.002 0.000 0.246 235 Q C -0.219 175.720 176.000 -0.102 0.000 1.063 235 Q CA -0.267 55.376 55.803 -0.267 0.000 0.945 235 Q CB 0.540 28.846 28.738 -0.719 0.000 1.292 235 Q HN 0.352 nan 8.270 nan 0.000 0.518 236 R N -0.051 120.344 120.500 -0.175 0.000 2.594 236 R HA 0.471 4.813 4.340 0.002 0.000 0.272 236 R C -0.664 175.585 176.300 -0.084 0.000 1.074 236 R CA 0.237 56.297 56.100 -0.065 0.000 1.105 236 R CB 0.687 30.933 30.300 -0.089 0.000 1.008 236 R HN 0.722 nan 8.270 nan 0.000 0.472 237 A N 3.510 126.318 122.820 -0.021 0.000 2.414 237 A HA 0.523 4.844 4.320 0.002 0.000 0.306 237 A C -2.524 175.052 177.584 -0.012 0.000 1.054 237 A CA -2.073 49.953 52.037 -0.018 0.000 0.724 237 A CB 1.442 20.461 19.000 0.032 0.000 1.267 237 A HN 0.404 nan 8.150 nan 0.000 0.418 238 P HA 0.211 nan 4.420 nan 0.000 0.260 238 P C 1.153 178.454 177.300 0.001 0.000 1.172 238 P CA 2.252 65.346 63.100 -0.009 0.000 0.760 238 P CB 0.537 32.234 31.700 -0.005 0.000 0.773 239 G N 2.155 110.953 108.800 -0.002 0.000 2.196 239 G HA2 -0.313 3.648 3.960 0.002 0.000 0.268 239 G HA3 -0.313 3.648 3.960 0.002 0.000 0.268 239 G C 0.404 175.305 174.900 0.002 0.000 0.975 239 G CA 0.061 45.162 45.100 0.001 0.000 0.648 239 G HN 0.705 nan 8.290 nan 0.000 0.538 240 R N 0.678 121.180 120.500 0.003 0.000 2.668 240 R HA 0.570 4.911 4.340 0.002 0.000 0.279 240 R C 0.993 177.288 176.300 -0.009 0.000 0.976 240 R CA 0.027 56.127 56.100 -0.000 0.000 0.978 240 R CB 0.779 31.086 30.300 0.012 0.000 1.133 240 R HN 0.288 nan 8.270 nan 0.000 0.484 241 G N 1.608 110.393 108.800 -0.026 0.000 2.664 241 G HA2 0.020 3.981 3.960 0.002 0.000 0.242 241 G HA3 0.020 3.981 3.960 0.002 0.000 0.242 241 G C -0.602 174.273 174.900 -0.041 0.000 1.225 241 G CA -0.367 44.714 45.100 -0.032 0.000 0.849 241 G HN 0.599 nan 8.290 nan 0.000 0.581 242 D N -0.557 119.837 120.400 -0.011 0.000 2.283 242 D HA 0.343 4.984 4.640 0.002 0.000 0.248 242 D C -0.250 176.062 176.300 0.021 0.000 1.072 242 D CA -0.004 54.022 54.000 0.044 0.000 0.929 242 D CB 1.093 41.933 40.800 0.067 0.000 1.182 242 D HN 0.109 nan 8.370 nan 0.000 0.433 243 F N 1.367 121.348 119.950 0.052 0.000 2.427 243 F HA 0.329 4.857 4.527 0.002 0.000 0.352 243 F C 1.042 176.874 175.800 0.053 0.000 1.100 243 F CA 0.060 58.081 58.000 0.035 0.000 1.191 243 F CB 0.681 39.701 39.000 0.033 0.000 1.128 243 F HN -0.184 nan 8.300 nan 0.000 0.533 244 R N 3.697 124.323 120.500 0.210 0.000 2.668 244 R HA 0.511 4.852 4.340 0.002 0.000 0.272 244 R C -1.389 175.051 176.300 0.234 0.000 1.019 244 R CA -0.855 55.377 56.100 0.221 0.000 0.894 244 R CB 2.237 32.692 30.300 0.258 0.000 1.228 244 R HN 0.618 nan 8.270 nan 0.000 0.460 245 I N 1.859 122.557 120.570 0.213 0.000 2.354 245 I HA 0.171 4.342 4.170 0.002 0.000 0.286 245 I C 0.466 176.787 176.117 0.340 0.000 1.007 245 I CA -0.440 60.978 61.300 0.197 0.000 1.167 245 I CB 1.196 39.253 38.000 0.096 0.000 1.320 245 I HN 0.528 nan 8.210 nan 0.000 0.458 246 W N 3.510 124.854 121.300 0.074 0.000 2.402 246 W HA -0.090 4.571 4.660 0.002 0.000 0.286 246 W C 0.969 177.604 176.519 0.193 0.000 1.221 246 W CA 0.119 57.579 57.345 0.192 0.000 1.257 246 W CB -0.860 28.705 29.460 0.174 0.000 1.120 246 W HN 0.406 nan 8.180 nan 0.000 0.551 247 N N 0.019 118.889 118.700 0.283 0.000 2.479 247 N HA 0.005 4.746 4.740 0.002 0.000 0.257 247 N C 1.356 176.932 175.510 0.110 0.000 1.232 247 N CA 0.875 54.012 53.050 0.144 0.000 0.920 247 N CB 0.711 39.218 38.487 0.034 0.000 1.105 247 N HN -0.095 nan 8.380 nan 0.000 0.444 248 S N 0.718 116.473 115.700 0.092 0.000 2.406 248 S HA -0.041 4.430 4.470 0.002 0.000 0.228 248 S C 0.350 174.949 174.600 -0.002 0.000 1.020 248 S CA 0.714 58.956 58.200 0.071 0.000 0.965 248 S CB 0.060 63.322 63.200 0.105 0.000 0.798 248 S HN 0.656 nan 8.310 nan 0.000 0.488 249 Q N -0.871 118.908 119.800 -0.034 0.000 2.456 249 Q HA 0.509 4.850 4.340 0.002 0.000 0.284 249 Q C 0.202 176.114 176.000 -0.147 0.000 1.061 249 Q CA -0.588 55.151 55.803 -0.106 0.000 0.799 249 Q CB 1.881 30.578 28.738 -0.068 0.000 1.445 249 Q HN 0.104 nan 8.270 nan 0.000 0.411 250 L N 0.050 121.159 121.223 -0.189 0.000 2.141 250 L HA 0.033 4.374 4.340 0.002 0.000 0.209 250 L C 0.335 177.058 176.870 -0.245 0.000 1.094 250 L CA 0.839 55.570 54.840 -0.182 0.000 0.763 250 L CB 0.181 42.126 42.059 -0.189 0.000 0.908 250 L HN 0.257 nan 8.230 nan 0.000 0.437 251 V N 0.964 120.640 119.914 -0.397 0.000 2.407 251 V HA 0.475 4.596 4.120 0.002 0.000 0.291 251 V C -0.257 175.277 176.094 -0.935 0.000 1.018 251 V CA -0.677 61.219 62.300 -0.674 0.000 0.842 251 V CB 1.693 32.987 31.823 -0.882 0.000 0.996 251 V HN 0.176 nan 8.190 nan 0.000 0.426 252 R N 2.755 122.855 120.500 -0.667 0.000 2.740 252 R HA 0.535 4.876 4.340 0.002 0.000 0.273 252 R C -1.864 174.215 176.300 -0.370 0.000 0.998 252 R CA -0.833 54.992 56.100 -0.458 0.000 0.900 252 R CB 2.555 32.749 30.300 -0.177 0.000 1.223 252 R HN 0.547 nan 8.270 nan 0.000 0.466 253 Y N 0.246 120.524 120.300 -0.036 0.000 2.334 253 Y HA 0.454 5.005 4.550 0.002 0.000 0.328 253 Y C 0.905 176.763 175.900 -0.070 0.000 1.130 253 Y CA -0.679 57.413 58.100 -0.012 0.000 1.163 253 Y CB 1.335 39.844 38.460 0.082 0.000 1.207 253 Y HN 0.711 nan 8.280 nan 0.000 0.471 254 A N 1.625 124.474 122.820 0.049 0.000 2.448 254 A HA 0.529 4.850 4.320 0.002 0.000 0.239 254 A C 0.594 177.953 177.584 -0.374 0.000 1.080 254 A CA 0.377 52.280 52.037 -0.224 0.000 0.779 254 A CB -0.290 18.503 19.000 -0.344 0.000 1.026 254 A HN 0.971 nan 8.150 nan 0.000 0.499 255 G N 0.247 108.780 108.800 -0.444 0.000 2.805 255 G HA2 0.539 4.500 3.960 0.002 0.000 0.283 255 G HA3 0.539 4.500 3.960 0.002 0.000 0.283 255 G C -1.114 173.611 174.900 -0.292 0.000 1.508 255 G CA -0.276 44.630 45.100 -0.323 0.000 1.042 255 G HN 0.544 nan 8.290 nan 0.000 0.543 256 Y N 2.569 122.877 120.300 0.013 0.000 2.353 256 Y HA 0.420 4.971 4.550 0.002 0.000 0.340 256 Y C 1.157 177.054 175.900 -0.005 0.000 0.972 256 Y CA -1.173 56.936 58.100 0.015 0.000 1.157 256 Y CB 1.119 39.585 38.460 0.010 0.000 1.157 256 Y HN 0.195 nan 8.280 nan 0.000 0.495 257 R N 3.506 124.090 120.500 0.139 0.000 2.623 257 R HA 0.146 4.487 4.340 0.002 0.000 0.271 257 R C -0.416 175.926 176.300 0.070 0.000 1.043 257 R CA 0.112 56.257 56.100 0.076 0.000 1.083 257 R CB 0.575 30.908 30.300 0.054 0.000 0.974 257 R HN 0.788 nan 8.270 nan 0.000 0.436 258 Q N 1.059 120.884 119.800 0.042 0.000 2.458 258 Q HA 0.087 4.428 4.340 0.002 0.000 0.282 258 Q C 1.016 177.024 176.000 0.013 0.000 1.106 258 Q CA -0.904 54.913 55.803 0.024 0.000 0.814 258 Q CB 1.917 30.667 28.738 0.020 0.000 1.425 258 Q HN 0.565 nan 8.270 nan 0.000 0.437 259 Q N 1.474 121.276 119.800 0.003 0.000 2.078 259 Q HA -0.315 4.026 4.340 0.002 0.000 0.222 259 Q C 0.405 176.408 176.000 0.003 0.000 1.073 259 Q CA 2.651 58.454 55.803 0.000 0.000 0.926 259 Q CB -1.189 27.547 28.738 -0.004 0.000 1.054 259 Q HN 0.925 nan 8.270 nan 0.000 0.450 260 D N 0.206 120.608 120.400 0.004 0.000 2.494 260 D HA 0.169 4.810 4.640 0.002 0.000 0.249 260 D C 1.150 177.455 176.300 0.008 0.000 1.223 260 D CA 0.725 54.728 54.000 0.005 0.000 0.865 260 D CB -0.227 40.575 40.800 0.004 0.000 0.974 260 D HN 0.731 nan 8.370 nan 0.000 0.491 261 G N 0.868 109.674 108.800 0.011 0.000 2.353 261 G HA2 -0.399 3.562 3.960 0.002 0.000 0.258 261 G HA3 -0.399 3.562 3.960 0.002 0.000 0.258 261 G C 0.669 175.577 174.900 0.014 0.000 1.013 261 G CA 0.773 45.881 45.100 0.013 0.000 0.622 261 G HN 0.811 nan 8.290 nan 0.000 0.535 262 S N -0.861 114.846 115.700 0.012 0.000 2.611 262 S HA 0.532 5.003 4.470 0.002 0.000 0.252 262 S C 0.148 174.753 174.600 0.009 0.000 1.369 262 S CA 0.397 58.602 58.200 0.008 0.000 0.975 262 S CB 1.765 64.969 63.200 0.006 0.000 0.937 262 S HN 1.301 nan 8.310 nan 0.000 0.584 263 V N 0.822 120.733 119.914 -0.005 0.000 2.686 263 V HA 0.522 4.643 4.120 0.002 0.000 0.306 263 V C -0.144 175.930 176.094 -0.034 0.000 1.065 263 V CA -0.808 61.485 62.300 -0.012 0.000 0.894 263 V CB 1.775 33.574 31.823 -0.039 0.000 1.004 263 V HN 0.946 nan 8.190 nan 0.000 0.424 264 R N 2.579 123.089 120.500 0.017 0.000 2.255 264 R HA 0.684 5.025 4.340 0.002 0.000 0.326 264 R C 0.532 176.799 176.300 -0.055 0.000 0.986 264 R CA 0.914 57.023 56.100 0.017 0.000 0.847 264 R CB 1.059 31.434 30.300 0.125 0.000 1.111 264 R HN 1.256 nan 8.270 nan 0.000 0.452 265 G N 2.987 111.648 108.800 -0.232 0.000 2.418 265 G HA2 -0.239 3.722 3.960 0.002 0.000 0.206 265 G HA3 -0.239 3.722 3.960 0.002 0.000 0.206 265 G C -1.346 173.136 174.900 -0.697 0.000 1.202 265 G CA -0.200 44.671 45.100 -0.381 0.000 1.061 265 G HN 0.614 nan 8.290 nan 0.000 0.563 266 D N 1.650 121.796 120.400 -0.424 0.000 2.380 266 D HA 0.552 5.193 4.640 0.002 0.000 0.230 266 D C -1.041 175.160 176.300 -0.164 0.000 1.154 266 D CA -1.966 51.842 54.000 -0.320 0.000 0.859 266 D CB 1.416 42.330 40.800 0.189 0.000 1.045 266 D HN -0.015 nan 8.370 nan 0.000 0.495 267 P HA -0.104 nan 4.420 nan 0.000 0.221 267 P C 0.831 178.138 177.300 0.011 0.000 1.145 267 P CA 0.890 63.951 63.100 -0.066 0.000 0.795 267 P CB 0.292 31.963 31.700 -0.049 0.000 0.775 268 A N -0.680 122.168 122.820 0.046 0.000 2.119 268 A HA -0.088 4.233 4.320 0.002 0.000 0.217 268 A C 1.576 179.212 177.584 0.086 0.000 1.153 268 A CA 1.188 53.285 52.037 0.100 0.000 0.692 268 A CB -0.748 18.338 19.000 0.144 0.000 0.799 268 A HN 0.148 nan 8.150 nan 0.000 0.458 269 N N -0.314 118.415 118.700 0.049 0.000 2.238 269 N HA 0.132 4.874 4.740 0.002 0.000 0.222 269 N C 1.132 176.630 175.510 -0.019 0.000 1.133 269 N CA 0.207 53.271 53.050 0.024 0.000 0.854 269 N CB 0.614 39.110 38.487 0.015 0.000 1.041 269 N HN 0.192 nan 8.380 nan 0.000 0.510 270 V N 1.084 120.991 119.914 -0.011 0.000 2.255 270 V HA -0.260 3.861 4.120 0.002 0.000 0.247 270 V C 2.430 178.515 176.094 -0.016 0.000 1.051 270 V CA 1.843 64.133 62.300 -0.016 0.000 1.018 270 V CB -0.327 31.499 31.823 0.005 0.000 0.641 270 V HN 0.383 nan 8.190 nan 0.000 0.445 271 E N -0.379 119.814 120.200 -0.012 0.000 2.051 271 E HA -0.266 4.085 4.350 0.002 0.000 0.192 271 E C 2.151 178.653 176.600 -0.162 0.000 0.991 271 E CA 1.778 58.139 56.400 -0.065 0.000 0.799 271 E CB -0.173 29.521 29.700 -0.011 0.000 0.748 271 E HN 0.505 nan 8.360 nan 0.000 0.449 272 I N 0.740 121.231 120.570 -0.132 0.000 2.315 272 I HA -0.208 3.963 4.170 0.002 0.000 0.248 272 I C 2.058 178.115 176.117 -0.100 0.000 1.117 272 I CA 1.538 62.744 61.300 -0.158 0.000 1.404 272 I CB -0.397 37.566 38.000 -0.061 0.000 1.071 272 I HN 0.068 nan 8.210 nan 0.000 0.419 273 T N 0.520 115.037 114.554 -0.061 0.000 2.708 273 T HA -0.188 4.163 4.350 0.002 0.000 0.266 273 T C 1.737 176.500 174.700 0.104 0.000 1.037 273 T CA 1.908 64.012 62.100 0.007 0.000 1.146 273 T CB -0.300 68.557 68.868 -0.018 0.000 0.865 273 T HN 0.489 nan 8.240 nan 0.000 0.435 274 E N 0.692 120.922 120.200 0.051 0.000 2.110 274 E HA -0.027 4.324 4.350 0.002 0.000 0.193 274 E C 2.239 178.867 176.600 0.046 0.000 0.988 274 E CA 0.709 57.146 56.400 0.062 0.000 0.804 274 E CB -0.272 29.439 29.700 0.018 0.000 0.745 274 E HN 0.416 nan 8.360 nan 0.000 0.458 275 L N 0.371 121.586 121.223 -0.014 0.000 2.083 275 L HA -0.213 4.129 4.340 0.002 0.000 0.209 275 L C 2.562 179.529 176.870 0.162 0.000 1.083 275 L CA 0.715 55.583 54.840 0.047 0.000 0.752 275 L CB -0.356 41.667 42.059 -0.059 0.000 0.899 275 L HN 0.315 nan 8.230 nan 0.000 0.433 276 C N -0.040 119.313 119.300 0.089 0.000 2.432 276 C HA -0.153 4.308 4.460 0.002 0.000 0.277 276 C C 2.708 177.859 174.990 0.269 0.000 1.249 276 C CA 0.441 59.522 59.018 0.105 0.000 1.725 276 C CB -0.614 27.087 27.740 -0.065 0.000 2.028 276 C HN 0.418 nan 8.230 nan 0.000 0.477 277 I N 0.724 121.487 120.570 0.323 0.000 2.163 277 I HA -0.306 3.865 4.170 0.002 0.000 0.243 277 I C 2.784 178.968 176.117 0.112 0.000 1.085 277 I CA 1.914 63.366 61.300 0.253 0.000 1.347 277 I CB -0.778 37.338 38.000 0.193 0.000 1.044 277 I HN 0.494 nan 8.210 nan 0.000 0.408 278 Q N 0.417 120.253 119.800 0.060 0.000 2.297 278 Q HA -0.224 4.117 4.340 0.002 0.000 0.208 278 Q C 1.279 177.165 176.000 -0.190 0.000 0.981 278 Q CA 1.394 57.156 55.803 -0.068 0.000 0.876 278 Q CB -0.003 28.675 28.738 -0.099 0.000 0.921 278 Q HN 0.598 nan 8.270 nan 0.000 0.446 279 H N -1.715 117.348 119.070 -0.012 0.000 2.507 279 H HA 0.218 4.775 4.556 0.002 0.000 0.294 279 H C 0.694 175.999 175.328 -0.038 0.000 1.064 279 H CA 0.624 56.638 56.048 -0.057 0.000 1.138 279 H CB 1.077 30.762 29.762 -0.128 0.000 1.515 279 H HN 0.525 nan 8.280 nan 0.000 0.547 280 G N 0.713 109.554 108.800 0.068 0.000 2.179 280 G HA2 -0.242 3.719 3.960 0.002 0.000 0.220 280 G HA3 -0.242 3.719 3.960 0.002 0.000 0.220 280 G C -0.024 174.946 174.900 0.116 0.000 0.990 280 G CA -0.081 45.049 45.100 0.051 0.000 0.646 280 G HN 0.383 nan 8.290 nan 0.000 0.517 281 W N 2.798 124.079 121.300 -0.032 0.000 2.216 281 W HA 0.622 5.283 4.660 0.002 0.000 0.326 281 W C 0.267 176.781 176.519 -0.008 0.000 1.319 281 W CA 0.417 57.748 57.345 -0.023 0.000 1.213 281 W CB 0.736 30.192 29.460 -0.007 0.000 1.171 281 W HN 0.030 nan 8.180 nan 0.000 0.557 282 T N 9.747 123.983 114.554 -0.530 0.000 2.739 282 T HA 0.177 4.528 4.350 0.002 0.000 0.298 282 T C -2.092 171.885 174.700 -1.206 0.000 0.929 282 T CA -0.911 60.830 62.100 -0.599 0.000 1.014 282 T CB 0.262 68.924 68.868 -0.344 0.000 0.914 282 T HN 0.226 nan 8.240 nan 0.000 0.509 283 P HA 0.241 nan 4.420 nan 0.000 0.271 283 P C 0.447 177.347 177.300 -0.668 0.000 1.218 283 P CA -0.202 62.203 63.100 -1.158 0.000 0.780 283 P CB 0.905 32.314 31.700 -0.485 0.000 0.901 284 G N 1.651 110.204 108.800 -0.412 0.000 2.543 284 G HA2 0.266 4.227 3.960 0.002 0.000 0.267 284 G HA3 0.266 4.227 3.960 0.002 0.000 0.267 284 G C 0.346 174.987 174.900 -0.432 0.000 1.406 284 G CA -0.528 44.450 45.100 -0.203 0.000 1.048 284 G HN 0.710 nan 8.290 nan 0.000 0.548 285 N N -0.744 117.812 118.700 -0.240 0.000 2.381 285 N HA 0.180 4.921 4.740 0.002 0.000 0.257 285 N C 0.312 175.813 175.510 -0.016 0.000 1.409 285 N CA 0.031 52.878 53.050 -0.337 0.000 0.836 285 N CB 0.508 38.830 38.487 -0.274 0.000 1.384 285 N HN 0.653 nan 8.380 nan 0.000 0.490 286 G N 0.401 109.303 108.800 0.171 0.000 2.552 286 G HA2 0.382 4.343 3.960 0.002 0.000 0.318 286 G HA3 0.382 4.343 3.960 0.002 0.000 0.318 286 G C 0.496 175.506 174.900 0.183 0.000 1.240 286 G CA -0.666 44.538 45.100 0.174 0.000 1.002 286 G HN 0.124 nan 8.290 nan 0.000 0.493 287 R N -1.274 119.258 120.500 0.052 0.000 2.246 287 R HA 0.142 4.483 4.340 0.002 0.000 0.199 287 R C -0.182 175.736 176.300 -0.637 0.000 0.984 287 R CA 0.610 56.567 56.100 -0.239 0.000 1.015 287 R CB 0.159 30.274 30.300 -0.308 0.000 0.930 287 R HN 0.386 nan 8.270 nan 0.000 0.475 288 F N 0.799 120.703 119.950 -0.077 0.000 2.623 288 F HA 0.250 4.778 4.527 0.002 0.000 0.361 288 F C -0.721 175.026 175.800 -0.088 0.000 1.469 288 F CA -1.068 56.640 58.000 -0.486 0.000 1.126 288 F CB 0.692 39.249 39.000 -0.738 0.000 1.221 288 F HN -0.279 nan 8.300 nan 0.000 0.536 289 D N 1.691 122.247 120.400 0.260 0.000 2.316 289 D HA 0.195 4.836 4.640 0.002 0.000 0.245 289 D C 0.191 176.739 176.300 0.414 0.000 1.171 289 D CA 0.098 54.320 54.000 0.370 0.000 0.856 289 D CB 2.200 43.276 40.800 0.460 0.000 1.090 289 D HN -0.052 nan 8.370 nan 0.000 0.476 290 V N 3.864 123.998 119.914 0.367 0.000 2.529 290 V HA -0.011 4.110 4.120 0.002 0.000 0.292 290 V C 1.021 177.132 176.094 0.028 0.000 1.028 290 V CA -0.195 62.206 62.300 0.170 0.000 1.074 290 V CB 0.240 32.117 31.823 0.090 0.000 0.958 290 V HN 0.342 nan 8.190 nan 0.000 0.481 291 L N 8.274 129.407 121.223 -0.150 0.000 2.436 291 L HA 0.356 4.697 4.340 0.002 0.000 0.265 291 L C -1.652 174.969 176.870 -0.415 0.000 1.168 291 L CA -1.320 53.271 54.840 -0.415 0.000 0.815 291 L CB 0.859 42.691 42.059 -0.379 0.000 1.109 291 L HN 0.496 nan 8.230 nan 0.000 0.462 292 P HA 0.280 nan 4.420 nan 0.000 0.278 292 P C -1.211 175.920 177.300 -0.282 0.000 1.266 292 P CA -0.562 62.287 63.100 -0.419 0.000 0.807 292 P CB 1.103 32.437 31.700 -0.609 0.000 1.094 293 L N 0.646 121.796 121.223 -0.122 0.000 2.325 293 L HA 0.434 4.776 4.340 0.002 0.000 0.279 293 L C 0.368 177.206 176.870 -0.053 0.000 1.054 293 L CA -0.818 53.995 54.840 -0.046 0.000 0.804 293 L CB 0.790 42.893 42.059 0.072 0.000 1.200 293 L HN 0.202 nan 8.230 nan 0.000 0.436 294 L N 4.935 126.108 121.223 -0.083 0.000 2.301 294 L HA 0.476 4.818 4.340 0.002 0.000 0.278 294 L C -0.699 176.065 176.870 -0.176 0.000 1.022 294 L CA -0.231 54.473 54.840 -0.228 0.000 0.854 294 L CB 1.018 42.861 42.059 -0.360 0.000 1.226 294 L HN 0.443 nan 8.230 nan 0.000 0.429 295 L N 3.831 124.996 121.223 -0.097 0.000 2.317 295 L HA 0.532 4.874 4.340 0.002 0.000 0.281 295 L C -0.314 176.484 176.870 -0.121 0.000 1.024 295 L CA -0.437 54.368 54.840 -0.059 0.000 0.810 295 L CB 1.890 43.932 42.059 -0.028 0.000 1.240 295 L HN 0.556 nan 8.230 nan 0.000 0.427 296 Q N 2.311 122.067 119.800 -0.072 0.000 2.330 296 Q HA 0.694 5.035 4.340 0.002 0.000 0.269 296 Q C -1.122 174.830 176.000 -0.080 0.000 1.022 296 Q CA -0.572 55.188 55.803 -0.072 0.000 0.796 296 Q CB 2.254 31.021 28.738 0.048 0.000 1.271 296 Q HN 0.789 nan 8.270 nan 0.000 0.450 297 A N 4.809 127.537 122.820 -0.153 0.000 2.279 297 A HA 0.649 4.970 4.320 0.002 0.000 0.303 297 A C -2.421 174.914 177.584 -0.415 0.000 1.108 297 A CA -1.670 50.137 52.037 -0.384 0.000 0.830 297 A CB 0.139 19.012 19.000 -0.212 0.000 1.106 297 A HN 0.639 nan 8.150 nan 0.000 0.493 298 P HA 0.007 nan 4.420 nan 0.000 0.260 298 P C -0.644 176.552 177.300 -0.174 0.000 1.172 298 P CA 0.873 63.750 63.100 -0.372 0.000 0.760 298 P CB 0.090 31.555 31.700 -0.392 0.000 0.773 299 D N 0.152 120.498 120.400 -0.090 0.000 2.811 299 D HA -0.181 4.460 4.640 0.002 0.000 0.231 299 D C -0.013 176.271 176.300 -0.028 0.000 1.157 299 D CA 1.305 55.284 54.000 -0.035 0.000 0.716 299 D CB -0.504 40.278 40.800 -0.030 0.000 1.077 299 D HN 0.446 nan 8.370 nan 0.000 0.428 300 E N -0.708 119.470 120.200 -0.038 0.000 2.312 300 E HA 0.681 5.032 4.350 0.002 0.000 0.267 300 E C 0.049 176.635 176.600 -0.023 0.000 0.894 300 E CA -0.757 55.623 56.400 -0.033 0.000 0.773 300 E CB 1.710 31.375 29.700 -0.059 0.000 1.241 300 E HN 0.131 nan 8.360 nan 0.000 0.432 301 A N 3.033 125.838 122.820 -0.024 0.000 2.425 301 A HA 0.371 4.692 4.320 0.002 0.000 0.242 301 A C -1.992 175.477 177.584 -0.191 0.000 1.077 301 A CA -0.781 51.229 52.037 -0.045 0.000 0.781 301 A CB -0.526 18.475 19.000 0.002 0.000 1.020 301 A HN 0.303 nan 8.150 nan 0.000 0.494 302 P HA 0.219 nan 4.420 nan 0.000 0.272 302 P C -0.684 176.310 177.300 -0.510 0.000 1.223 302 P CA 0.027 62.724 63.100 -0.670 0.000 0.784 302 P CB 0.800 31.580 31.700 -1.534 0.000 0.923 303 E N 0.588 120.584 120.200 -0.340 0.000 2.195 303 E HA 0.417 4.768 4.350 0.002 0.000 0.271 303 E C -0.793 175.561 176.600 -0.410 0.000 0.923 303 E CA -1.062 55.144 56.400 -0.324 0.000 0.790 303 E CB 1.457 31.045 29.700 -0.186 0.000 1.155 303 E HN 0.277 nan 8.360 nan 0.000 0.402 304 L N 3.244 124.125 121.223 -0.570 0.000 2.292 304 L HA 0.435 4.776 4.340 0.002 0.000 0.284 304 L C -1.584 174.779 176.870 -0.845 0.000 1.065 304 L CA 0.168 54.709 54.840 -0.499 0.000 0.806 304 L CB 0.152 42.029 42.059 -0.304 0.000 1.175 304 L HN 0.404 nan 8.230 nan 0.000 0.431 305 F N 4.222 123.951 119.950 -0.368 0.000 2.562 305 F HA 0.433 4.961 4.527 0.002 0.000 0.319 305 F C -0.318 175.246 175.800 -0.394 0.000 1.154 305 F CA -0.881 56.763 58.000 -0.593 0.000 0.931 305 F CB 1.809 40.101 39.000 -1.181 0.000 1.198 305 F HN 0.020 nan 8.300 nan 0.000 0.444 306 V N 4.917 124.758 119.914 -0.121 0.000 2.461 306 V HA 0.234 4.355 4.120 0.002 0.000 0.275 306 V C 0.283 176.489 176.094 0.188 0.000 1.047 306 V CA -0.610 61.706 62.300 0.027 0.000 0.955 306 V CB 1.119 32.988 31.823 0.077 0.000 0.988 306 V HN 0.545 nan 8.190 nan 0.000 0.471 307 L N 7.541 128.890 121.223 0.209 0.000 2.416 307 L HA 0.270 4.611 4.340 0.002 0.000 0.272 307 L C -2.073 174.906 176.870 0.182 0.000 1.161 307 L CA -1.462 53.537 54.840 0.264 0.000 0.845 307 L CB 0.582 42.721 42.059 0.133 0.000 1.119 307 L HN 0.443 nan 8.230 nan 0.000 0.464 308 P HA 0.074 nan 4.420 nan 0.000 0.265 308 P C -2.012 175.336 177.300 0.080 0.000 1.222 308 P CA -0.940 62.229 63.100 0.116 0.000 0.767 308 P CB 0.460 32.212 31.700 0.088 0.000 0.801 309 P HA -0.256 nan 4.420 nan 0.000 0.218 309 P C 1.331 178.662 177.300 0.052 0.000 1.152 309 P CA 1.425 64.567 63.100 0.070 0.000 0.857 309 P CB -0.155 31.589 31.700 0.074 0.000 0.787 310 E N -0.704 119.523 120.200 0.043 0.000 2.409 310 E HA -0.116 4.235 4.350 0.002 0.000 0.198 310 E C 1.432 178.046 176.600 0.024 0.000 1.024 310 E CA 0.924 57.343 56.400 0.030 0.000 0.861 310 E CB -0.845 28.870 29.700 0.025 0.000 0.788 310 E HN 0.241 nan 8.360 nan 0.000 0.521 311 L N 0.767 122.004 121.223 0.025 0.000 2.416 311 L HA 0.075 4.416 4.340 0.002 0.000 0.216 311 L C 0.714 177.597 176.870 0.022 0.000 1.098 311 L CA 0.460 55.309 54.840 0.015 0.000 0.840 311 L CB 0.498 42.555 42.059 -0.002 0.000 0.981 311 L HN -0.114 nan 8.230 nan 0.000 0.462 312 V N 1.684 121.615 119.914 0.028 0.000 2.304 312 V HA 0.179 4.300 4.120 0.002 0.000 0.262 312 V C -0.039 176.085 176.094 0.050 0.000 1.061 312 V CA -0.728 61.590 62.300 0.031 0.000 0.872 312 V CB 0.854 32.689 31.823 0.020 0.000 1.077 312 V HN -0.011 nan 8.190 nan 0.000 0.480 313 L N 5.774 127.032 121.223 0.058 0.000 2.360 313 L HA 0.431 4.772 4.340 0.002 0.000 0.276 313 L C 0.200 177.111 176.870 0.068 0.000 1.121 313 L CA 0.766 55.635 54.840 0.047 0.000 0.845 313 L CB 0.382 42.464 42.059 0.038 0.000 1.143 313 L HN 0.654 nan 8.230 nan 0.000 0.452 314 E N 3.312 123.531 120.200 0.032 0.000 2.336 314 E HA 0.608 4.959 4.350 0.002 0.000 0.267 314 E C -1.461 175.090 176.600 -0.081 0.000 0.906 314 E CA -1.042 55.379 56.400 0.034 0.000 0.781 314 E CB 2.486 32.238 29.700 0.086 0.000 1.261 314 E HN 0.352 nan 8.360 nan 0.000 0.436 315 V N 3.081 122.917 119.914 -0.130 0.000 2.407 315 V HA 0.315 4.436 4.120 0.002 0.000 0.291 315 V C -2.276 173.756 176.094 -0.103 0.000 1.018 315 V CA -1.829 60.328 62.300 -0.238 0.000 0.842 315 V CB 1.411 32.833 31.823 -0.668 0.000 0.996 315 V HN 0.553 nan 8.190 nan 0.000 0.426 316 P HA 0.268 nan 4.420 nan 0.000 0.276 316 P C -0.844 176.463 177.300 0.012 0.000 1.230 316 P CA -0.156 62.914 63.100 -0.050 0.000 0.776 316 P CB 1.206 32.881 31.700 -0.041 0.000 0.888 317 L N 3.411 124.676 121.223 0.069 0.000 2.276 317 L HA 0.418 4.759 4.340 0.002 0.000 0.286 317 L C 1.115 178.162 176.870 0.295 0.000 1.061 317 L CA -0.221 54.735 54.840 0.193 0.000 0.807 317 L CB 0.627 42.866 42.059 0.301 0.000 1.177 317 L HN 0.520 nan 8.230 nan 0.000 0.429 318 E N 2.245 122.598 120.200 0.254 0.000 2.416 318 E HA 0.403 4.754 4.350 0.002 0.000 0.273 318 E C -1.379 175.277 176.600 0.094 0.000 0.935 318 E CA -0.932 55.631 56.400 0.272 0.000 0.784 318 E CB 2.307 32.124 29.700 0.195 0.000 1.301 318 E HN 0.482 nan 8.360 nan 0.000 0.454 319 H N 1.700 120.657 119.070 -0.187 0.000 2.472 319 H HA 0.239 4.797 4.556 0.002 0.000 0.338 319 H C -1.765 173.234 175.328 -0.547 0.000 1.133 319 H CA -2.281 53.473 56.048 -0.490 0.000 1.216 319 H CB 2.032 31.404 29.762 -0.651 0.000 1.497 319 H HN 0.433 nan 8.280 nan 0.000 0.500 320 P HA -0.139 nan 4.420 nan 0.000 0.218 320 P C 0.911 178.042 177.300 -0.281 0.000 1.148 320 P CA 1.911 64.487 63.100 -0.875 0.000 0.822 320 P CB 0.392 31.602 31.700 -0.817 0.000 0.784 321 T N -4.987 109.590 114.554 0.040 0.000 2.969 321 T HA 0.225 4.576 4.350 0.002 0.000 0.258 321 T C 0.769 175.430 174.700 -0.065 0.000 0.962 321 T CA -0.235 61.876 62.100 0.018 0.000 0.903 321 T CB -0.511 68.376 68.868 0.031 0.000 1.177 321 T HN -0.055 nan 8.240 nan 0.000 0.511 322 L N 3.531 124.634 121.223 -0.199 0.000 2.302 322 L HA 0.403 4.744 4.340 0.002 0.000 0.285 322 L C 1.595 178.116 176.870 -0.581 0.000 1.090 322 L CA -0.662 53.786 54.840 -0.654 0.000 0.866 322 L CB 0.948 42.193 42.059 -1.357 0.000 1.244 322 L HN 0.284 nan 8.230 nan 0.000 0.435 323 E N 3.273 123.296 120.200 -0.296 0.000 2.130 323 E HA -0.262 4.089 4.350 0.002 0.000 0.196 323 E C 1.706 178.269 176.600 -0.061 0.000 0.998 323 E CA 1.713 58.047 56.400 -0.111 0.000 0.806 323 E CB -0.278 29.428 29.700 0.010 0.000 0.738 323 E HN 0.739 nan 8.360 nan 0.000 0.459 324 W N -0.234 121.111 121.300 0.074 0.000 2.595 324 W HA 0.050 4.711 4.660 0.002 0.000 0.257 324 W C 1.350 177.914 176.519 0.076 0.000 1.267 324 W CA 0.022 57.401 57.345 0.057 0.000 1.300 324 W CB -1.000 28.473 29.460 0.023 0.000 1.120 324 W HN -0.010 nan 8.180 nan 0.000 0.618 325 F N 3.035 122.741 119.950 -0.407 0.000 2.065 325 F HA -0.187 4.341 4.527 0.002 0.000 0.298 325 F C 2.770 178.590 175.800 0.033 0.000 1.112 325 F CA 3.262 61.135 58.000 -0.211 0.000 1.212 325 F CB -0.718 38.053 39.000 -0.383 0.000 0.975 325 F HN -0.074 nan 8.300 nan 0.000 0.476 326 A N 0.051 122.990 122.820 0.198 0.000 2.032 326 A HA -0.158 4.163 4.320 0.002 0.000 0.221 326 A C 2.271 179.897 177.584 0.072 0.000 1.165 326 A CA 1.669 53.791 52.037 0.143 0.000 0.645 326 A CB -1.509 17.562 19.000 0.119 0.000 0.807 326 A HN 0.488 nan 8.150 nan 0.000 0.453 327 A N -0.556 122.318 122.820 0.090 0.000 2.172 327 A HA 0.095 4.417 4.320 0.002 0.000 0.216 327 A C 1.922 179.532 177.584 0.045 0.000 1.154 327 A CA 1.064 53.150 52.037 0.081 0.000 0.701 327 A CB -0.518 18.558 19.000 0.127 0.000 0.789 327 A HN 0.505 nan 8.150 nan 0.000 0.465 328 L N -1.235 119.980 121.223 -0.014 0.000 2.376 328 L HA 0.017 4.359 4.340 0.002 0.000 0.219 328 L C 1.837 178.708 176.870 0.001 0.000 1.133 328 L CA 0.673 55.482 54.840 -0.051 0.000 0.816 328 L CB -0.508 41.407 42.059 -0.240 0.000 0.933 328 L HN 0.581 nan 8.230 nan 0.000 0.449 329 G N 0.679 109.476 108.800 -0.004 0.000 2.179 329 G HA2 -0.283 3.678 3.960 0.002 0.000 0.257 329 G HA3 -0.283 3.678 3.960 0.002 0.000 0.257 329 G C 0.172 175.027 174.900 -0.075 0.000 1.010 329 G CA -0.039 45.062 45.100 0.001 0.000 0.736 329 G HN 0.247 nan 8.290 nan 0.000 0.513 330 L N -0.202 120.961 121.223 -0.099 0.000 2.395 330 L HA 0.780 5.121 4.340 0.002 0.000 0.269 330 L C 1.104 177.760 176.870 -0.357 0.000 1.133 330 L CA -0.591 54.120 54.840 -0.215 0.000 0.812 330 L CB 0.927 42.986 42.059 -0.001 0.000 1.125 330 L HN 0.567 nan 8.230 nan 0.000 0.452 331 R N 1.463 121.559 120.500 -0.673 0.000 2.733 331 R HA 0.521 4.862 4.340 0.002 0.000 0.272 331 R C -2.106 174.160 176.300 -0.055 0.000 1.029 331 R CA -1.041 54.843 56.100 -0.359 0.000 0.888 331 R CB 1.829 31.857 30.300 -0.454 0.000 1.251 331 R HN 0.643 nan 8.270 nan 0.000 0.464 332 W N 1.558 122.844 121.300 -0.023 0.000 3.248 332 W HA 0.327 4.989 4.660 0.002 0.000 0.311 332 W C -1.268 175.353 176.519 0.171 0.000 1.258 332 W CA -0.977 56.450 57.345 0.137 0.000 1.191 332 W CB 1.876 31.309 29.460 -0.044 0.000 1.389 332 W HN 0.699 nan 8.180 nan 0.000 0.561 333 Y N 1.194 121.408 120.300 -0.143 0.000 2.314 333 Y HA 0.540 5.091 4.550 0.002 0.000 0.334 333 Y C 0.816 176.959 175.900 0.406 0.000 1.266 333 Y CA 0.206 58.326 58.100 0.034 0.000 1.391 333 Y CB 0.234 38.577 38.460 -0.194 0.000 1.306 333 Y HN 0.341 nan 8.280 nan 0.000 0.558 334 A N 2.075 125.171 122.820 0.461 0.000 1.975 334 A HA 0.079 4.400 4.320 0.002 0.000 0.215 334 A C 0.483 178.426 177.584 0.598 0.000 1.170 334 A CA 0.341 52.699 52.037 0.535 0.000 0.656 334 A CB -0.271 18.879 19.000 0.251 0.000 0.821 334 A HN 0.666 nan 8.150 nan 0.000 0.449 335 L N 1.999 123.527 121.223 0.509 0.000 2.262 335 L HA 0.416 4.757 4.340 0.002 0.000 0.288 335 L C -2.568 174.473 176.870 0.285 0.000 1.035 335 L CA -2.233 52.806 54.840 0.332 0.000 0.820 335 L CB 1.528 43.710 42.059 0.205 0.000 1.204 335 L HN -0.027 nan 8.230 nan 0.000 0.424 336 P HA 0.308 nan 4.420 nan 0.000 0.291 336 P C -1.350 175.864 177.300 -0.145 0.000 1.378 336 P CA -0.332 62.654 63.100 -0.191 0.000 0.853 336 P CB 1.271 32.422 31.700 -0.916 0.000 1.002 337 A N 4.735 127.476 122.820 -0.131 0.000 2.586 337 A HA 0.385 4.706 4.320 0.002 0.000 0.320 337 A C -0.025 177.328 177.584 -0.386 0.000 1.281 337 A CA -0.665 51.213 52.037 -0.265 0.000 0.775 337 A CB 0.519 19.379 19.000 -0.233 0.000 1.122 337 A HN 0.302 nan 8.150 nan 0.000 0.470 338 V N 2.692 122.221 119.914 -0.641 0.000 2.540 338 V HA 0.162 4.283 4.120 0.002 0.000 0.297 338 V C 1.293 176.979 176.094 -0.681 0.000 1.024 338 V CA 1.402 63.298 62.300 -0.673 0.000 1.105 338 V CB 0.969 32.245 31.823 -0.912 0.000 0.938 338 V HN 1.068 nan 8.190 nan 0.000 0.482 339 S N 1.660 117.170 115.700 -0.316 0.000 2.733 339 S HA 0.057 4.528 4.470 0.002 0.000 0.247 339 S C 0.781 175.363 174.600 -0.029 0.000 1.043 339 S CA 0.068 58.168 58.200 -0.166 0.000 1.066 339 S CB -0.370 62.769 63.200 -0.101 0.000 1.045 339 S HN 0.914 nan 8.310 nan 0.000 0.586 340 N N 0.426 119.119 118.700 -0.013 0.000 2.203 340 N HA 0.305 5.046 4.740 0.002 0.000 0.207 340 N C 0.147 175.713 175.510 0.094 0.000 1.130 340 N CA -0.481 52.601 53.050 0.055 0.000 0.861 340 N CB 0.105 38.629 38.487 0.061 0.000 1.005 340 N HN 0.273 nan 8.380 nan 0.000 0.507 341 M N 1.332 120.999 119.600 0.112 0.000 2.359 341 M HA 0.320 4.801 4.480 0.002 0.000 0.322 341 M C -0.581 175.854 176.300 0.224 0.000 1.166 341 M CA -0.811 54.595 55.300 0.176 0.000 1.067 341 M CB 2.370 35.100 32.600 0.216 0.000 1.523 341 M HN 0.124 nan 8.290 nan 0.000 0.467 342 L N 2.748 124.084 121.223 0.189 0.000 2.309 342 L HA 0.512 4.854 4.340 0.002 0.000 0.282 342 L C -1.337 175.638 176.870 0.175 0.000 1.036 342 L CA -0.911 54.030 54.840 0.168 0.000 0.806 342 L CB 1.147 43.255 42.059 0.082 0.000 1.220 342 L HN 0.564 nan 8.230 nan 0.000 0.429 343 L N 5.263 126.588 121.223 0.170 0.000 2.265 343 L HA 0.442 4.783 4.340 0.002 0.000 0.289 343 L C -0.508 176.374 176.870 0.020 0.000 1.033 343 L CA 0.225 55.059 54.840 -0.011 0.000 0.814 343 L CB 1.134 43.199 42.059 0.011 0.000 1.203 343 L HN 0.608 nan 8.230 nan 0.000 0.423 344 E N 6.605 126.729 120.200 -0.127 0.000 2.145 344 E HA 0.398 4.749 4.350 0.002 0.000 0.270 344 E C -1.584 174.917 176.600 -0.166 0.000 0.906 344 E CA -0.422 55.910 56.400 -0.114 0.000 0.761 344 E CB 1.101 30.733 29.700 -0.112 0.000 1.116 344 E HN 0.716 nan 8.360 nan 0.000 0.408 345 I N 2.602 123.075 120.570 -0.161 0.000 2.478 345 I HA 0.271 4.442 4.170 0.002 0.000 0.287 345 I C 0.796 176.685 176.117 -0.381 0.000 1.042 345 I CA -0.669 60.416 61.300 -0.358 0.000 1.067 345 I CB 2.018 39.767 38.000 -0.419 0.000 1.233 345 I HN 0.786 nan 8.210 nan 0.000 0.431 346 G N 4.199 112.809 108.800 -0.317 0.000 2.341 346 G HA2 -0.127 3.834 3.960 0.002 0.000 0.292 346 G HA3 -0.127 3.834 3.960 0.002 0.000 0.292 346 G C 1.031 175.996 174.900 0.108 0.000 1.021 346 G CA 0.778 45.892 45.100 0.023 0.000 0.905 346 G HN 1.562 nan 8.290 nan 0.000 0.508 347 G N -2.021 106.779 108.800 0.000 0.000 2.225 347 G HA2 -0.249 3.712 3.960 0.002 0.000 0.254 347 G HA3 -0.249 3.712 3.960 0.002 0.000 0.254 347 G C 0.531 175.359 174.900 -0.120 0.000 0.988 347 G CA 0.541 45.636 45.100 -0.007 0.000 0.625 347 G HN 1.294 nan 8.290 nan 0.000 0.527 348 L N 0.708 121.790 121.223 -0.234 0.000 2.375 348 L HA 0.609 4.950 4.340 0.002 0.000 0.271 348 L C 0.313 176.891 176.870 -0.487 0.000 1.107 348 L CA -0.406 54.162 54.840 -0.455 0.000 0.806 348 L CB 1.104 42.778 42.059 -0.643 0.000 1.146 348 L HN 0.192 nan 8.230 nan 0.000 0.447 349 E N 2.297 122.136 120.200 -0.602 0.000 2.199 349 E HA 0.375 4.726 4.350 0.002 0.000 0.265 349 E C -1.544 174.690 176.600 -0.611 0.000 0.882 349 E CA -0.437 55.692 56.400 -0.453 0.000 0.759 349 E CB 1.812 31.376 29.700 -0.228 0.000 1.148 349 E HN 0.259 nan 8.360 nan 0.000 0.412 350 F N 1.988 121.904 119.950 -0.057 0.000 2.291 350 F HA 0.106 4.635 4.527 0.002 0.000 0.368 350 F C 1.525 177.358 175.800 0.055 0.000 1.085 350 F CA -0.557 57.438 58.000 -0.008 0.000 1.165 350 F CB 1.083 40.061 39.000 -0.036 0.000 1.429 350 F HN 0.428 nan 8.300 nan 0.000 0.503 351 S N 1.233 117.034 115.700 0.169 0.000 2.469 351 S HA 0.104 4.575 4.470 0.002 0.000 0.238 351 S C 0.849 175.577 174.600 0.213 0.000 0.998 351 S CA 0.479 58.775 58.200 0.160 0.000 0.957 351 S CB -0.044 63.231 63.200 0.124 0.000 0.764 351 S HN 0.507 nan 8.310 nan 0.000 0.514 352 A N 0.388 123.382 122.820 0.290 0.000 2.410 352 A HA 0.822 5.143 4.320 0.002 0.000 0.289 352 A C -0.212 177.623 177.584 0.419 0.000 1.200 352 A CA -0.170 52.069 52.037 0.337 0.000 0.751 352 A CB 1.003 20.191 19.000 0.313 0.000 1.161 352 A HN 0.994 nan 8.150 nan 0.000 0.459 353 A N 4.154 127.165 122.820 0.317 0.000 3.422 353 A HA 0.629 4.950 4.320 0.002 0.000 0.271 353 A C -2.986 174.739 177.584 0.234 0.000 1.104 353 A CA -0.950 51.230 52.037 0.238 0.000 0.899 353 A CB 0.379 19.520 19.000 0.234 0.000 1.309 353 A HN 0.516 nan 8.150 nan 0.000 0.580 354 P HA 0.366 nan 4.420 nan 0.000 0.265 354 P C -0.730 176.574 177.300 0.007 0.000 1.193 354 P CA 0.533 63.593 63.100 -0.067 0.000 0.765 354 P CB 0.214 31.842 31.700 -0.120 0.000 0.823 355 F N 0.068 119.958 119.950 -0.100 0.000 2.603 355 F HA 0.804 5.332 4.527 0.002 0.000 0.317 355 F C -0.655 175.057 175.800 -0.147 0.000 1.066 355 F CA -1.242 56.697 58.000 -0.101 0.000 0.941 355 F CB 1.653 40.464 39.000 -0.314 0.000 1.291 355 F HN 0.431 nan 8.300 nan 0.000 0.472 356 S N -0.001 115.794 115.700 0.158 0.000 2.547 356 S HA 0.898 5.369 4.470 0.002 0.000 0.270 356 S C -0.776 173.796 174.600 -0.046 0.000 1.150 356 S CA -0.198 58.023 58.200 0.036 0.000 0.850 356 S CB 1.369 64.635 63.200 0.110 0.000 1.118 356 S HN 1.482 nan 8.310 nan 0.000 0.461 357 G N 0.038 108.760 108.800 -0.130 0.000 3.324 357 G HA2 0.738 4.699 3.960 0.002 0.000 0.188 357 G HA3 0.738 4.699 3.960 0.002 0.000 0.188 357 G C -1.397 173.524 174.900 0.035 0.000 1.384 357 G CA -0.182 44.775 45.100 -0.240 0.000 0.841 357 G HN 1.194 nan 8.290 nan 0.000 0.758 358 W N -1.542 119.765 121.300 0.010 0.000 3.075 358 W HA 0.801 5.462 4.660 0.002 0.000 0.334 358 W C -1.745 174.778 176.519 0.006 0.000 1.243 358 W CA -2.113 55.255 57.345 0.038 0.000 1.170 358 W CB 0.429 29.954 29.460 0.108 0.000 1.452 358 W HN 0.370 nan 8.180 nan 0.000 0.572 359 Y N 2.855 123.342 120.300 0.313 0.000 2.397 359 Y HA 0.299 4.850 4.550 0.002 0.000 0.335 359 Y C 0.899 176.859 175.900 0.099 0.000 1.213 359 Y CA -0.540 57.625 58.100 0.108 0.000 1.391 359 Y CB 0.964 39.391 38.460 -0.054 0.000 1.293 359 Y HN 0.272 nan 8.280 nan 0.000 0.557 360 M N 2.746 122.495 119.600 0.249 0.000 2.205 360 M HA 0.151 4.632 4.480 0.002 0.000 0.344 360 M C 1.065 177.369 176.300 0.007 0.000 1.085 360 M CA -0.292 55.086 55.300 0.129 0.000 1.001 360 M CB 1.596 34.250 32.600 0.090 0.000 1.626 360 M HN 0.893 nan 8.290 nan 0.000 0.442 361 S N 2.529 118.190 115.700 -0.065 0.000 2.407 361 S HA -0.193 4.278 4.470 0.002 0.000 0.235 361 S C 1.413 175.881 174.600 -0.221 0.000 1.036 361 S CA 2.329 60.415 58.200 -0.190 0.000 1.013 361 S CB -1.283 61.845 63.200 -0.121 0.000 0.820 361 S HN 0.873 nan 8.310 nan 0.000 0.476 362 T N 0.038 114.487 114.554 -0.175 0.000 2.962 362 T HA -0.005 4.346 4.350 0.002 0.000 0.270 362 T C 1.554 176.103 174.700 -0.251 0.000 1.088 362 T CA 1.157 63.105 62.100 -0.253 0.000 1.127 362 T CB -0.552 68.122 68.868 -0.323 0.000 0.883 362 T HN 0.609 nan 8.240 nan 0.000 0.493 363 E N 0.936 121.011 120.200 -0.207 0.000 2.077 363 E HA -0.046 4.305 4.350 0.002 0.000 0.193 363 E C 2.045 178.395 176.600 -0.417 0.000 0.989 363 E CA 1.356 57.641 56.400 -0.193 0.000 0.800 363 E CB -0.279 29.443 29.700 0.037 0.000 0.746 363 E HN 0.588 nan 8.360 nan 0.000 0.452 364 I N 0.238 120.430 120.570 -0.630 0.000 2.260 364 I HA -0.060 4.111 4.170 0.002 0.000 0.237 364 I C 2.632 178.400 176.117 -0.582 0.000 1.075 364 I CA 0.911 61.658 61.300 -0.922 0.000 1.376 364 I CB -0.654 36.703 38.000 -1.072 0.000 1.107 364 I HN 0.112 nan 8.210 nan 0.000 0.420 365 G N 0.243 108.803 108.800 -0.400 0.000 2.442 365 G HA2 -0.193 3.768 3.960 0.002 0.000 0.219 365 G HA3 -0.193 3.768 3.960 0.002 0.000 0.219 365 G C 1.600 176.385 174.900 -0.190 0.000 1.141 365 G CA 1.654 46.611 45.100 -0.237 0.000 0.763 365 G HN 0.315 nan 8.290 nan 0.000 0.554 366 T N -0.120 114.298 114.554 -0.226 0.000 2.990 366 T HA 0.101 4.452 4.350 0.002 0.000 0.237 366 T C 2.530 177.122 174.700 -0.180 0.000 1.009 366 T CA 0.289 62.277 62.100 -0.187 0.000 1.195 366 T CB 0.044 68.783 68.868 -0.214 0.000 0.885 366 T HN 0.012 nan 8.240 nan 0.000 0.424 367 R N 2.080 122.454 120.500 -0.210 0.000 2.064 367 R HA 0.113 4.454 4.340 0.002 0.000 0.228 367 R C 2.186 178.370 176.300 -0.192 0.000 1.144 367 R CA 1.184 57.171 56.100 -0.187 0.000 0.932 367 R CB -1.283 28.912 30.300 -0.175 0.000 0.833 367 R HN 0.324 nan 8.270 nan 0.000 0.429 368 N N 0.973 119.505 118.700 -0.279 0.000 2.120 368 N HA -0.097 4.644 4.740 0.002 0.000 0.188 368 N C 1.977 177.400 175.510 -0.145 0.000 1.024 368 N CA 1.109 53.987 53.050 -0.287 0.000 0.852 368 N CB -0.275 37.704 38.487 -0.846 0.000 1.003 368 N HN 0.189 nan 8.380 nan 0.000 0.424 369 L N -0.847 120.244 121.223 -0.221 0.000 2.249 369 L HA 0.062 4.403 4.340 0.002 0.000 0.207 369 L C 1.428 178.321 176.870 0.039 0.000 1.090 369 L CA 0.454 55.265 54.840 -0.049 0.000 0.802 369 L CB 0.145 42.154 42.059 -0.085 0.000 0.947 369 L HN 0.174 nan 8.230 nan 0.000 0.453 370 C N -1.566 117.718 119.300 -0.027 0.000 3.065 370 C HA 0.163 4.624 4.460 0.002 0.000 0.285 370 C C 0.732 175.707 174.990 -0.024 0.000 1.257 370 C CA -0.920 58.096 59.018 -0.005 0.000 1.691 370 C CB -0.314 27.412 27.740 -0.025 0.000 2.089 370 C HN 0.298 nan 8.230 nan 0.000 0.630 371 D N 2.876 123.229 120.400 -0.078 0.000 2.472 371 D HA 0.033 4.675 4.640 0.002 0.000 0.237 371 D C -1.025 175.241 176.300 -0.057 0.000 1.141 371 D CA -1.244 52.685 54.000 -0.119 0.000 0.875 371 D CB 0.661 41.239 40.800 -0.371 0.000 1.192 371 D HN 0.197 nan 8.370 nan 0.000 0.450 372 P HA -0.167 nan 4.420 nan 0.000 0.218 372 P C 0.702 178.084 177.300 0.136 0.000 1.148 372 P CA 1.392 64.564 63.100 0.119 0.000 0.822 372 P CB -0.009 31.781 31.700 0.150 0.000 0.784 373 H N -2.292 116.791 119.070 0.023 0.000 2.524 373 H HA 0.355 4.912 4.556 0.002 0.000 0.280 373 H C 0.973 176.316 175.328 0.025 0.000 1.018 373 H CA -0.286 55.774 56.048 0.020 0.000 1.165 373 H CB -0.090 29.683 29.762 0.018 0.000 1.411 373 H HN -0.015 nan 8.280 nan 0.000 0.569 374 R N -0.162 120.230 120.500 -0.180 0.000 3.006 374 R HA 0.178 4.520 4.340 0.002 0.000 0.150 374 R C 1.111 177.395 176.300 -0.028 0.000 1.285 374 R CA -0.716 55.327 56.100 -0.094 0.000 0.813 374 R CB -0.852 29.403 30.300 -0.076 0.000 1.582 374 R HN 0.086 nan 8.270 nan 0.000 0.441 375 Y N 1.567 121.877 120.300 0.016 0.000 2.421 375 Y HA -0.114 4.437 4.550 0.002 0.000 0.292 375 Y C 0.752 176.675 175.900 0.038 0.000 1.136 375 Y CA 1.153 59.280 58.100 0.045 0.000 1.255 375 Y CB -0.396 38.128 38.460 0.108 0.000 0.991 375 Y HN 0.508 nan 8.280 nan 0.000 0.552 376 N N 0.620 119.408 118.700 0.147 0.000 2.686 376 N HA -0.232 4.509 4.740 0.002 0.000 0.261 376 N C 0.408 175.999 175.510 0.135 0.000 1.001 376 N CA 0.804 53.919 53.050 0.108 0.000 0.764 376 N CB -1.323 37.210 38.487 0.077 0.000 0.898 376 N HN 0.657 nan 8.380 nan 0.000 0.544 377 I N -3.575 117.089 120.570 0.157 0.000 3.684 377 I HA 0.053 4.224 4.170 0.002 0.000 0.304 377 I C 1.616 177.832 176.117 0.165 0.000 1.278 377 I CA -0.349 61.044 61.300 0.156 0.000 1.272 377 I CB -0.110 37.988 38.000 0.164 0.000 1.029 377 I HN 0.098 nan 8.210 nan 0.000 0.458 378 L N 1.977 123.304 121.223 0.173 0.000 1.991 378 L HA -0.285 4.056 4.340 0.002 0.000 0.221 378 L C 2.625 179.704 176.870 0.349 0.000 1.079 378 L CA 2.340 57.318 54.840 0.230 0.000 0.778 378 L CB -1.028 41.136 42.059 0.174 0.000 0.893 378 L HN 0.502 nan 8.230 nan 0.000 0.437 379 E N -1.194 119.210 120.200 0.341 0.000 2.077 379 E HA -0.228 4.123 4.350 0.002 0.000 0.193 379 E C 1.780 178.423 176.600 0.072 0.000 0.989 379 E CA 1.290 57.820 56.400 0.217 0.000 0.800 379 E CB 0.028 29.795 29.700 0.111 0.000 0.746 379 E HN 0.516 nan 8.360 nan 0.000 0.452 380 D N -0.051 120.395 120.400 0.078 0.000 2.104 380 D HA -0.158 4.483 4.640 0.002 0.000 0.194 380 D C 2.058 178.369 176.300 0.018 0.000 0.994 380 D CA 1.229 55.243 54.000 0.024 0.000 0.830 380 D CB -0.244 40.580 40.800 0.041 0.000 0.959 380 D HN 0.130 nan 8.370 nan 0.000 0.452 381 V N 1.535 121.518 119.914 0.115 0.000 2.407 381 V HA -0.212 3.909 4.120 0.002 0.000 0.248 381 V C 2.544 178.730 176.094 0.153 0.000 1.055 381 V CA 1.670 64.092 62.300 0.202 0.000 1.049 381 V CB -0.754 31.268 31.823 0.332 0.000 0.662 381 V HN 0.173 nan 8.190 nan 0.000 0.455 382 A N -0.224 122.694 122.820 0.162 0.000 1.933 382 A HA -0.143 4.178 4.320 0.002 0.000 0.218 382 A C 2.379 179.929 177.584 -0.056 0.000 1.175 382 A CA 1.999 54.117 52.037 0.135 0.000 0.628 382 A CB -0.577 18.564 19.000 0.235 0.000 0.814 382 A HN 0.348 nan 8.150 nan 0.000 0.444 383 V N -0.952 118.884 119.914 -0.131 0.000 2.358 383 V HA -0.281 3.841 4.120 0.002 0.000 0.246 383 V C 2.596 178.515 176.094 -0.291 0.000 1.047 383 V CA 1.918 64.098 62.300 -0.200 0.000 1.035 383 V CB -1.016 30.697 31.823 -0.183 0.000 0.658 383 V HN 0.705 nan 8.190 nan 0.000 0.452 384 C N -0.344 118.702 119.300 -0.423 0.000 2.422 384 C HA -0.139 4.322 4.460 0.002 0.000 0.279 384 C C 2.684 177.121 174.990 -0.922 0.000 1.305 384 C CA 1.007 59.490 59.018 -0.893 0.000 1.757 384 C CB -0.999 25.849 27.740 -1.485 0.000 1.962 384 C HN 0.523 nan 8.230 nan 0.000 0.499 385 M N 0.005 119.347 119.600 -0.430 0.000 2.595 385 M HA 0.015 4.496 4.480 0.002 0.000 0.248 385 M C 0.538 176.796 176.300 -0.071 0.000 1.119 385 M CA 0.869 56.130 55.300 -0.065 0.000 1.079 385 M CB -0.294 32.406 32.600 0.166 0.000 1.472 385 M HN 0.237 nan 8.290 nan 0.000 0.501 386 D N 1.705 122.016 120.400 -0.148 0.000 2.699 386 D HA -0.155 4.486 4.640 0.002 0.000 0.239 386 D C -0.947 175.317 176.300 -0.061 0.000 1.136 386 D CA 0.498 54.430 54.000 -0.114 0.000 0.668 386 D CB -1.017 39.725 40.800 -0.097 0.000 1.060 386 D HN 0.288 nan 8.370 nan 0.000 0.429 387 L N -0.076 121.116 121.223 -0.051 0.000 2.416 387 L HA 0.346 4.687 4.340 0.002 0.000 0.262 387 L C 1.065 177.885 176.870 -0.083 0.000 1.093 387 L CA -0.808 54.029 54.840 -0.004 0.000 0.801 387 L CB 0.646 42.767 42.059 0.104 0.000 1.191 387 L HN -0.019 nan 8.230 nan 0.000 0.459 388 D N 0.608 120.987 120.400 -0.035 0.000 2.470 388 D HA -0.000 4.641 4.640 0.002 0.000 0.226 388 D C 1.056 177.229 176.300 -0.211 0.000 1.196 388 D CA -0.161 53.789 54.000 -0.082 0.000 0.979 388 D CB 0.587 41.387 40.800 -0.000 0.000 1.059 388 D HN 0.589 nan 8.370 nan 0.000 0.515 389 T N 0.360 114.617 114.554 -0.495 0.000 3.215 389 T HA 0.044 4.395 4.350 0.002 0.000 0.254 389 T C 1.585 176.017 174.700 -0.447 0.000 1.149 389 T CA 0.061 61.544 62.100 -1.030 0.000 1.042 389 T CB -0.013 68.136 68.868 -1.197 0.000 0.966 389 T HN 0.248 nan 8.240 nan 0.000 0.534 390 R N 0.779 121.161 120.500 -0.197 0.000 2.092 390 R HA 0.090 4.432 4.340 0.002 0.000 0.231 390 R C 0.417 176.733 176.300 0.027 0.000 1.119 390 R CA 0.869 56.926 56.100 -0.072 0.000 0.970 390 R CB -0.129 30.143 30.300 -0.047 0.000 0.864 390 R HN 0.336 nan 8.270 nan 0.000 0.440 391 T N -1.389 113.224 114.554 0.098 0.000 2.896 391 T HA 0.111 4.462 4.350 0.002 0.000 0.297 391 T C 0.909 175.786 174.700 0.295 0.000 1.108 391 T CA -0.540 61.656 62.100 0.160 0.000 1.004 391 T CB 2.059 70.988 68.868 0.101 0.000 1.159 391 T HN 0.180 nan 8.240 nan 0.000 0.499 392 T N -1.067 113.619 114.554 0.220 0.000 2.867 392 T HA -0.118 4.233 4.350 0.002 0.000 0.268 392 T C 2.133 176.887 174.700 0.090 0.000 1.057 392 T CA 1.403 63.593 62.100 0.150 0.000 1.136 392 T CB -0.637 68.266 68.868 0.059 0.000 0.874 392 T HN 0.597 nan 8.240 nan 0.000 0.466 393 S N 2.227 117.981 115.700 0.090 0.000 2.537 393 S HA -0.089 4.382 4.470 0.002 0.000 0.240 393 S C 2.080 176.728 174.600 0.079 0.000 0.981 393 S CA 0.914 59.151 58.200 0.063 0.000 0.948 393 S CB -0.932 62.299 63.200 0.052 0.000 0.759 393 S HN 0.781 nan 8.310 nan 0.000 0.531 394 S N 1.454 117.237 115.700 0.139 0.000 2.558 394 S HA 0.260 4.731 4.470 0.002 0.000 0.217 394 S C 0.933 175.615 174.600 0.137 0.000 0.975 394 S CA 0.106 58.396 58.200 0.149 0.000 0.912 394 S CB -0.926 62.397 63.200 0.205 0.000 0.776 394 S HN 0.606 nan 8.310 nan 0.000 0.526 395 L N 0.903 122.172 121.223 0.078 0.000 3.843 395 L HA -0.182 4.159 4.340 0.002 0.000 0.411 395 L C 1.676 178.549 176.870 0.005 0.000 1.205 395 L CA 0.710 55.536 54.840 -0.024 0.000 0.945 395 L CB -2.490 39.567 42.059 -0.004 0.000 1.929 395 L HN 0.734 nan 8.230 nan 0.000 0.934 396 W N 0.072 121.385 121.300 0.021 0.000 2.363 396 W HA -0.163 4.498 4.660 0.001 0.000 0.296 396 W C 1.742 178.281 176.519 0.033 0.000 1.212 396 W CA 1.373 58.734 57.345 0.027 0.000 1.260 396 W CB -0.751 28.721 29.460 0.020 0.000 1.131 396 W HN 0.281 nan 8.180 nan 0.000 0.530 397 K N 1.059 121.025 120.400 -0.724 0.000 2.057 397 K HA -0.169 4.153 4.320 0.002 0.000 0.207 397 K C 1.531 177.992 176.600 -0.232 0.000 1.049 397 K CA 2.378 58.271 56.287 -0.657 0.000 0.931 397 K CB -0.377 31.568 32.500 -0.924 0.000 0.714 397 K HN 0.065 nan 8.250 nan 0.000 0.440 398 D N 0.657 120.944 120.400 -0.189 0.000 2.117 398 D HA -0.124 4.518 4.640 0.002 0.000 0.197 398 D C 1.681 177.975 176.300 -0.010 0.000 0.987 398 D CA 1.203 55.150 54.000 -0.087 0.000 0.829 398 D CB 0.034 40.791 40.800 -0.073 0.000 0.961 398 D HN 0.120 nan 8.370 nan 0.000 0.460 399 K N 0.501 120.921 120.400 0.034 0.000 2.026 399 K HA -0.032 4.290 4.320 0.002 0.000 0.208 399 K C 2.217 178.886 176.600 0.115 0.000 1.048 399 K CA 1.146 57.483 56.287 0.084 0.000 0.929 399 K CB -0.165 32.407 32.500 0.119 0.000 0.713 399 K HN 0.088 nan 8.250 nan 0.000 0.439 400 A N 1.611 124.520 122.820 0.149 0.000 1.877 400 A HA -0.126 4.195 4.320 0.002 0.000 0.216 400 A C 2.405 180.076 177.584 0.144 0.000 1.186 400 A CA 1.865 54.019 52.037 0.196 0.000 0.620 400 A CB -0.798 18.356 19.000 0.257 0.000 0.822 400 A HN 0.334 nan 8.150 nan 0.000 0.443 401 A N -0.499 122.364 122.820 0.071 0.000 1.917 401 A HA -0.078 4.244 4.320 0.002 0.000 0.219 401 A C 2.250 179.850 177.584 0.026 0.000 1.182 401 A CA 2.001 54.054 52.037 0.027 0.000 0.633 401 A CB -1.081 17.897 19.000 -0.036 0.000 0.819 401 A HN 0.430 nan 8.150 nan 0.000 0.448 402 V N 0.366 120.300 119.914 0.035 0.000 2.287 402 V HA -0.240 3.881 4.120 0.002 0.000 0.248 402 V C 2.585 178.710 176.094 0.052 0.000 1.053 402 V CA 2.223 64.548 62.300 0.041 0.000 1.027 402 V CB -0.737 31.118 31.823 0.053 0.000 0.646 402 V HN 0.550 nan 8.190 nan 0.000 0.447 403 E N -0.124 120.132 120.200 0.093 0.000 2.110 403 E HA -0.146 4.205 4.350 0.002 0.000 0.193 403 E C 2.143 178.761 176.600 0.029 0.000 0.988 403 E CA 1.249 57.722 56.400 0.122 0.000 0.804 403 E CB -0.305 29.493 29.700 0.164 0.000 0.745 403 E HN 0.590 nan 8.360 nan 0.000 0.458 404 I N 1.337 121.954 120.570 0.079 0.000 2.226 404 I HA -0.284 3.888 4.170 0.002 0.000 0.245 404 I C 1.747 177.838 176.117 -0.044 0.000 1.100 404 I CA 1.089 62.434 61.300 0.076 0.000 1.374 404 I CB -0.311 37.800 38.000 0.185 0.000 1.057 404 I HN 0.045 nan 8.210 nan 0.000 0.413 405 N N 0.598 119.272 118.700 -0.044 0.000 2.188 405 N HA -0.163 4.578 4.740 0.002 0.000 0.184 405 N C 1.681 177.141 175.510 -0.083 0.000 1.018 405 N CA 0.816 53.822 53.050 -0.074 0.000 0.858 405 N CB -0.186 38.269 38.487 -0.054 0.000 0.989 405 N HN 0.148 nan 8.380 nan 0.000 0.426 406 L N 0.691 121.857 121.223 -0.095 0.000 2.046 406 L HA -0.005 4.336 4.340 0.002 0.000 0.208 406 L C 1.985 178.709 176.870 -0.244 0.000 1.077 406 L CA 1.351 56.098 54.840 -0.155 0.000 0.747 406 L CB -0.787 41.154 42.059 -0.196 0.000 0.896 406 L HN 0.159 nan 8.230 nan 0.000 0.432 407 A N -1.283 121.328 122.820 -0.349 0.000 1.902 407 A HA -0.149 4.172 4.320 0.002 0.000 0.217 407 A C 2.263 179.771 177.584 -0.126 0.000 1.181 407 A CA 1.942 53.733 52.037 -0.410 0.000 0.623 407 A CB -1.060 17.390 19.000 -0.916 0.000 0.818 407 A HN 0.291 nan 8.150 nan 0.000 0.443 408 V N 0.070 119.929 119.914 -0.092 0.000 2.261 408 V HA -0.277 3.845 4.120 0.002 0.000 0.246 408 V C 2.590 178.694 176.094 0.016 0.000 1.047 408 V CA 2.082 64.370 62.300 -0.021 0.000 1.015 408 V CB -0.799 30.933 31.823 -0.152 0.000 0.642 408 V HN 0.578 nan 8.190 nan 0.000 0.446 409 L N -0.535 120.663 121.223 -0.042 0.000 2.017 409 L HA -0.234 4.107 4.340 0.002 0.000 0.208 409 L C 2.621 179.514 176.870 0.038 0.000 1.073 409 L CA 2.198 57.032 54.840 -0.011 0.000 0.745 409 L CB -0.841 41.205 42.059 -0.022 0.000 0.894 409 L HN 0.495 nan 8.230 nan 0.000 0.432 410 H N -0.302 118.721 119.070 -0.079 0.000 2.319 410 H HA -0.145 4.412 4.556 0.002 0.000 0.299 410 H C 2.330 177.643 175.328 -0.025 0.000 1.092 410 H CA 2.013 58.007 56.048 -0.090 0.000 1.302 410 H CB -0.016 29.625 29.762 -0.201 0.000 1.373 410 H HN 0.153 nan 8.280 nan 0.000 0.497 411 S N -0.459 115.168 115.700 -0.122 0.000 2.356 411 S HA -0.112 4.359 4.470 0.002 0.000 0.223 411 S C 2.032 176.596 174.600 -0.060 0.000 1.032 411 S CA 1.267 59.392 58.200 -0.125 0.000 1.005 411 S CB -0.525 62.708 63.200 0.055 0.000 0.867 411 S HN 0.389 nan 8.310 nan 0.000 0.449 412 F N 1.834 121.719 119.950 -0.109 0.000 2.146 412 F HA -0.128 4.400 4.527 0.002 0.000 0.298 412 F C 2.813 178.557 175.800 -0.093 0.000 1.096 412 F CA 1.099 59.060 58.000 -0.066 0.000 1.275 412 F CB -0.269 38.718 39.000 -0.023 0.000 1.008 412 F HN 0.194 nan 8.300 nan 0.000 0.480 413 Q N -0.310 119.526 119.800 0.059 0.000 2.084 413 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 413 Q C 2.158 178.099 176.000 -0.098 0.000 0.978 413 Q CA 1.429 57.217 55.803 -0.025 0.000 0.844 413 Q CB -0.345 28.372 28.738 -0.035 0.000 0.898 413 Q HN 0.350 nan 8.270 nan 0.000 0.426 414 L N 0.237 121.341 121.223 -0.198 0.000 2.046 414 L HA -0.074 4.267 4.340 0.002 0.000 0.208 414 L C 1.894 178.677 176.870 -0.145 0.000 1.077 414 L CA 1.949 56.661 54.840 -0.213 0.000 0.747 414 L CB -0.532 41.311 42.059 -0.360 0.000 0.896 414 L HN 0.107 nan 8.230 nan 0.000 0.432 415 A N -1.282 121.445 122.820 -0.155 0.000 2.235 415 A HA -0.002 4.319 4.320 0.002 0.000 0.208 415 A C 0.952 178.467 177.584 -0.114 0.000 1.172 415 A CA 0.202 52.151 52.037 -0.146 0.000 0.786 415 A CB -0.561 18.310 19.000 -0.215 0.000 0.804 415 A HN 0.482 nan 8.150 nan 0.000 0.479 416 K N -0.979 119.369 120.400 -0.087 0.000 3.150 416 K HA -0.131 4.191 4.320 0.002 0.000 0.267 416 K C -0.822 175.748 176.600 -0.050 0.000 1.028 416 K CA 0.707 56.958 56.287 -0.060 0.000 0.753 416 K CB -2.127 30.338 32.500 -0.058 0.000 1.288 416 K HN 0.265 nan 8.250 nan 0.000 0.473 417 V N 1.091 120.986 119.914 -0.031 0.000 2.459 417 V HA 0.149 4.270 4.120 0.002 0.000 0.295 417 V C 0.774 176.962 176.094 0.157 0.000 1.029 417 V CA -0.700 61.614 62.300 0.023 0.000 0.874 417 V CB 1.995 33.746 31.823 -0.120 0.000 0.985 417 V HN 0.256 nan 8.190 nan 0.000 0.438 418 T N 6.231 120.836 114.554 0.085 0.000 2.908 418 T HA 0.410 4.761 4.350 0.002 0.000 0.301 418 T C -0.252 174.523 174.700 0.124 0.000 1.019 418 T CA 0.914 62.992 62.100 -0.036 0.000 1.152 418 T CB 0.022 68.729 68.868 -0.269 0.000 0.966 418 T HN 0.575 nan 8.240 nan 0.000 0.540 419 I N 2.315 122.890 120.570 0.009 0.000 2.842 419 I HA 0.562 4.733 4.170 0.002 0.000 0.296 419 I C -1.657 174.487 176.117 0.046 0.000 1.538 419 I CA -0.880 60.462 61.300 0.069 0.000 0.994 419 I CB 1.797 39.758 38.000 -0.065 0.000 1.372 419 I HN 0.460 nan 8.210 nan 0.000 0.478 420 V N 5.173 125.171 119.914 0.139 0.000 2.709 420 V HA 0.541 4.663 4.120 0.002 0.000 0.308 420 V C -1.185 174.965 176.094 0.093 0.000 1.062 420 V CA -0.240 62.141 62.300 0.136 0.000 0.901 420 V CB 2.177 34.162 31.823 0.271 0.000 1.003 420 V HN 0.867 nan 8.190 nan 0.000 0.425 421 D N 3.977 124.411 120.400 0.058 0.000 2.354 421 D HA 0.197 4.838 4.640 0.002 0.000 0.247 421 D C 1.262 177.576 176.300 0.025 0.000 1.138 421 D CA 0.217 54.242 54.000 0.042 0.000 0.958 421 D CB 0.459 41.255 40.800 -0.007 0.000 1.144 421 D HN 0.734 nan 8.370 nan 0.000 0.458 422 H N -0.238 118.766 119.070 -0.110 0.000 2.489 422 H HA -0.131 4.426 4.556 0.002 0.000 0.293 422 H C 0.940 176.160 175.328 -0.181 0.000 1.066 422 H CA 1.297 57.239 56.048 -0.177 0.000 1.305 422 H CB -0.536 29.062 29.762 -0.273 0.000 1.386 422 H HN 0.516 nan 8.280 nan 0.000 0.551 423 H N 1.098 119.993 119.070 -0.292 0.000 2.343 423 H HA 0.174 4.731 4.556 0.002 0.000 0.303 423 H C 2.531 177.839 175.328 -0.033 0.000 1.068 423 H CA 1.265 57.219 56.048 -0.156 0.000 1.359 423 H CB -0.288 29.344 29.762 -0.216 0.000 1.402 423 H HN 0.493 nan 8.280 nan 0.000 0.515 424 A N 1.476 124.353 122.820 0.095 0.000 1.902 424 A HA -0.106 4.215 4.320 0.002 0.000 0.217 424 A C 2.686 180.341 177.584 0.118 0.000 1.181 424 A CA 1.798 53.893 52.037 0.096 0.000 0.623 424 A CB -0.817 18.230 19.000 0.080 0.000 0.818 424 A HN 0.432 nan 8.150 nan 0.000 0.443 425 A N -0.173 122.715 122.820 0.114 0.000 1.877 425 A HA -0.125 4.196 4.320 0.002 0.000 0.216 425 A C 2.471 180.148 177.584 0.156 0.000 1.186 425 A CA 2.688 54.808 52.037 0.139 0.000 0.620 425 A CB -1.501 17.567 19.000 0.113 0.000 0.822 425 A HN 0.784 nan 8.150 nan 0.000 0.443 426 T N -2.643 111.987 114.554 0.126 0.000 2.867 426 T HA -0.082 4.269 4.350 0.002 0.000 0.268 426 T C 1.681 176.509 174.700 0.214 0.000 1.057 426 T CA 1.381 63.581 62.100 0.167 0.000 1.136 426 T CB -0.708 68.226 68.868 0.111 0.000 0.874 426 T HN 0.046 nan 8.240 nan 0.000 0.466 427 V N 2.717 122.731 119.914 0.168 0.000 2.343 427 V HA -0.172 3.949 4.120 0.002 0.000 0.247 427 V C 3.216 179.402 176.094 0.153 0.000 1.051 427 V CA 2.116 64.505 62.300 0.148 0.000 1.036 427 V CB -0.876 31.017 31.823 0.116 0.000 0.654 427 V HN 0.809 nan 8.190 nan 0.000 0.451 428 S N -0.314 115.487 115.700 0.169 0.000 2.383 428 S HA -0.220 4.251 4.470 0.002 0.000 0.227 428 S C 1.982 176.709 174.600 0.213 0.000 1.026 428 S CA 1.519 59.821 58.200 0.170 0.000 0.981 428 S CB -0.726 62.581 63.200 0.177 0.000 0.818 428 S HN 0.500 nan 8.310 nan 0.000 0.472 429 F N 2.128 122.143 119.950 0.108 0.000 2.234 429 F HA 0.106 4.634 4.527 0.002 0.000 0.299 429 F C 2.245 178.136 175.800 0.151 0.000 1.087 429 F CA 1.120 59.198 58.000 0.131 0.000 1.340 429 F CB -0.336 38.719 39.000 0.093 0.000 1.031 429 F HN 0.112 nan 8.300 nan 0.000 0.500 430 M N 0.016 119.681 119.600 0.108 0.000 2.159 430 M HA -0.167 4.314 4.480 0.002 0.000 0.263 430 M C 2.189 178.465 176.300 -0.038 0.000 1.063 430 M CA 1.455 56.767 55.300 0.020 0.000 1.110 430 M CB -1.169 31.491 32.600 0.101 0.000 1.374 430 M HN 0.072 nan 8.290 nan 0.000 0.411 431 K N -0.283 120.126 120.400 0.015 0.000 2.057 431 K HA -0.195 4.126 4.320 0.002 0.000 0.206 431 K C 1.988 178.574 176.600 -0.023 0.000 1.050 431 K CA 1.725 58.018 56.287 0.011 0.000 0.935 431 K CB -0.624 31.908 32.500 0.052 0.000 0.715 431 K HN 0.350 nan 8.250 nan 0.000 0.439 432 H N 0.122 119.113 119.070 -0.132 0.000 2.352 432 H HA -0.036 4.521 4.556 0.002 0.000 0.299 432 H C 1.695 176.867 175.328 -0.259 0.000 1.097 432 H CA 2.234 58.178 56.048 -0.174 0.000 1.311 432 H CB -0.209 29.423 29.762 -0.217 0.000 1.377 432 H HN 0.181 nan 8.280 nan 0.000 0.504 433 L N -0.339 120.599 121.223 -0.476 0.000 2.042 433 L HA -0.177 4.164 4.340 0.002 0.000 0.210 433 L C 2.308 179.020 176.870 -0.263 0.000 1.076 433 L CA 1.892 56.473 54.840 -0.432 0.000 0.749 433 L CB -0.454 41.407 42.059 -0.330 0.000 0.893 433 L HN 0.389 nan 8.230 nan 0.000 0.432 434 D N -0.260 120.035 120.400 -0.175 0.000 2.117 434 D HA -0.180 4.461 4.640 0.002 0.000 0.198 434 D C 1.950 178.183 176.300 -0.111 0.000 0.982 434 D CA 1.058 54.995 54.000 -0.106 0.000 0.828 434 D CB 0.119 40.884 40.800 -0.059 0.000 0.967 434 D HN 0.154 nan 8.370 nan 0.000 0.464 435 N N 0.509 119.133 118.700 -0.128 0.000 2.104 435 N HA -0.139 4.602 4.740 0.002 0.000 0.190 435 N C 1.586 177.020 175.510 -0.126 0.000 1.024 435 N CA 0.874 53.869 53.050 -0.092 0.000 0.853 435 N CB -0.247 38.214 38.487 -0.043 0.000 1.008 435 N HN 0.336 nan 8.380 nan 0.000 0.424 436 E N 0.585 120.627 120.200 -0.262 0.000 2.152 436 E HA -0.134 4.217 4.350 0.002 0.000 0.192 436 E C 1.885 178.403 176.600 -0.136 0.000 0.983 436 E CA 0.480 56.734 56.400 -0.244 0.000 0.818 436 E CB -0.117 29.329 29.700 -0.424 0.000 0.758 436 E HN 0.330 nan 8.360 nan 0.000 0.467 437 Q N 1.531 121.258 119.800 -0.122 0.000 2.084 437 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 437 Q C 1.794 177.767 176.000 -0.044 0.000 0.978 437 Q CA 1.651 57.416 55.803 -0.064 0.000 0.844 437 Q CB 0.036 28.741 28.738 -0.055 0.000 0.898 437 Q HN 0.105 nan 8.270 nan 0.000 0.426 438 K N -0.922 119.450 120.400 -0.047 0.000 2.103 438 K HA 0.028 4.350 4.320 0.002 0.000 0.204 438 K C 1.962 178.549 176.600 -0.022 0.000 1.052 438 K CA 0.970 57.239 56.287 -0.030 0.000 0.945 438 K CB -0.095 32.389 32.500 -0.025 0.000 0.722 438 K HN 0.246 nan 8.250 nan 0.000 0.443 439 A N 1.128 123.934 122.820 -0.023 0.000 1.898 439 A HA -0.033 4.288 4.320 0.002 0.000 0.214 439 A C 1.743 179.322 177.584 -0.008 0.000 1.183 439 A CA 1.003 53.038 52.037 -0.004 0.000 0.622 439 A CB 0.035 19.048 19.000 0.021 0.000 0.824 439 A HN 0.140 nan 8.150 nan 0.000 0.444 440 R N -2.169 118.316 120.500 -0.024 0.000 2.509 440 R HA 0.268 4.609 4.340 0.002 0.000 0.297 440 R C 0.782 177.080 176.300 -0.003 0.000 0.951 440 R CA 0.486 56.579 56.100 -0.013 0.000 1.103 440 R CB 0.658 30.946 30.300 -0.021 0.000 1.283 440 R HN 0.658 nan 8.270 nan 0.000 0.534 441 G N 0.964 109.757 108.800 -0.012 0.000 2.160 441 G HA2 -0.188 3.773 3.960 0.002 0.000 0.244 441 G HA3 -0.188 3.773 3.960 0.002 0.000 0.244 441 G C 0.217 175.134 174.900 0.028 0.000 1.022 441 G CA 0.101 45.200 45.100 -0.002 0.000 0.741 441 G HN 0.726 nan 8.290 nan 0.000 0.508 442 G N -2.460 106.354 108.800 0.024 0.000 2.356 442 G HA2 0.537 4.498 3.960 0.002 0.000 0.300 442 G HA3 0.537 4.498 3.960 0.002 0.000 0.300 442 G C -0.803 174.127 174.900 0.051 0.000 1.331 442 G CA 0.389 45.532 45.100 0.072 0.000 0.905 442 G HN 1.971 nan 8.290 nan 0.000 0.587 443 C N 1.993 121.350 119.300 0.096 0.000 2.817 443 C HA 0.720 5.182 4.460 0.002 0.000 0.385 443 C C -2.560 172.421 174.990 -0.014 0.000 1.050 443 C CA -1.110 57.912 59.018 0.006 0.000 1.245 443 C CB 1.309 28.986 27.740 -0.106 0.000 1.706 443 C HN 0.729 nan 8.230 nan 0.000 0.488 444 P HA 0.431 nan 4.420 nan 0.000 0.271 444 P C -0.697 176.497 177.300 -0.178 0.000 1.220 444 P CA 0.514 63.224 63.100 -0.648 0.000 0.768 444 P CB 1.195 32.217 31.700 -1.129 0.000 0.848 445 A N 2.550 125.339 122.820 -0.052 0.000 2.520 445 A HA 0.432 4.753 4.320 0.002 0.000 0.298 445 A C -1.200 176.445 177.584 0.101 0.000 1.051 445 A CA -0.542 51.559 52.037 0.106 0.000 0.690 445 A CB 1.354 20.541 19.000 0.312 0.000 1.281 445 A HN 0.443 nan 8.150 nan 0.000 0.402 446 D N 1.834 122.286 120.400 0.087 0.000 2.473 446 D HA 0.160 4.801 4.640 0.002 0.000 0.226 446 D C 0.817 177.259 176.300 0.236 0.000 1.089 446 D CA -0.525 53.559 54.000 0.140 0.000 0.883 446 D CB 0.332 41.155 40.800 0.038 0.000 1.029 446 D HN 0.583 nan 8.370 nan 0.000 0.517 447 W N 4.221 125.569 121.300 0.080 0.000 2.290 447 W HA -0.338 4.323 4.660 0.002 0.000 0.318 447 W C 1.934 178.491 176.519 0.064 0.000 1.248 447 W CA 2.538 59.915 57.345 0.053 0.000 1.263 447 W CB 0.023 29.488 29.460 0.008 0.000 1.147 447 W HN 0.559 nan 8.180 nan 0.000 0.494 448 A N -1.383 121.722 122.820 0.475 0.000 1.972 448 A HA -0.196 4.125 4.320 0.002 0.000 0.219 448 A C 1.483 179.121 177.584 0.089 0.000 1.169 448 A CA 1.644 53.872 52.037 0.320 0.000 0.635 448 A CB -1.261 17.958 19.000 0.364 0.000 0.810 448 A HN 0.531 nan 8.150 nan 0.000 0.446 449 W N -0.870 120.407 121.300 -0.037 0.000 2.704 449 W HA 0.186 4.847 4.660 0.002 0.000 0.266 449 W C 1.860 178.270 176.519 -0.182 0.000 1.266 449 W CA -0.084 57.212 57.345 -0.081 0.000 1.377 449 W CB -0.091 29.345 29.460 -0.039 0.000 1.082 449 W HN 0.134 nan 8.180 nan 0.000 0.608 450 I N -0.182 120.354 120.570 -0.057 0.000 2.286 450 I HA -0.073 4.098 4.170 0.002 0.000 0.245 450 I C 0.693 176.614 176.117 -0.327 0.000 1.104 450 I CA 0.768 61.903 61.300 -0.274 0.000 1.397 450 I CB -1.504 36.272 38.000 -0.374 0.000 1.072 450 I HN -0.410 nan 8.210 nan 0.000 0.417 451 V N 3.852 123.487 119.914 -0.466 0.000 2.521 451 V HA 0.079 4.200 4.120 0.002 0.000 0.286 451 V C -1.894 174.018 176.094 -0.303 0.000 1.034 451 V CA -1.035 60.974 62.300 -0.485 0.000 1.045 451 V CB 0.204 31.479 31.823 -0.913 0.000 0.974 451 V HN 0.120 nan 8.190 nan 0.000 0.480 452 P HA 0.100 nan 4.420 nan 0.000 0.268 452 P C -1.750 175.418 177.300 -0.219 0.000 1.208 452 P CA -1.002 61.971 63.100 -0.212 0.000 0.777 452 P CB 0.069 31.650 31.700 -0.198 0.000 0.875 453 P HA -0.020 nan 4.420 nan 0.000 0.230 453 P C 0.183 177.371 177.300 -0.187 0.000 1.158 453 P CA 1.213 64.191 63.100 -0.203 0.000 0.769 453 P CB 0.018 31.593 31.700 -0.210 0.000 0.807 454 I N -6.751 113.675 120.570 -0.241 0.000 2.828 454 I HA 0.460 4.631 4.170 0.002 0.000 0.302 454 I C -0.140 175.871 176.117 -0.177 0.000 1.101 454 I CA -1.260 59.918 61.300 -0.203 0.000 1.031 454 I CB 2.013 39.871 38.000 -0.235 0.000 1.231 454 I HN -0.396 nan 8.210 nan 0.000 0.427 455 S N 2.106 117.752 115.700 -0.090 0.000 3.581 455 S HA -0.195 4.276 4.470 0.002 0.000 0.354 455 S C 1.346 175.914 174.600 -0.053 0.000 1.059 455 S CA 0.780 58.964 58.200 -0.027 0.000 1.060 455 S CB -1.784 61.474 63.200 0.096 0.000 0.908 455 S HN 1.278 nan 8.310 nan 0.000 0.475 456 G N 2.442 111.183 108.800 -0.098 0.000 2.631 456 G HA2 -0.332 3.629 3.960 0.002 0.000 0.219 456 G HA3 -0.332 3.629 3.960 0.002 0.000 0.219 456 G C 1.448 176.210 174.900 -0.230 0.000 1.214 456 G CA 1.555 46.604 45.100 -0.085 0.000 0.785 456 G HN 1.328 nan 8.290 nan 0.000 0.596 457 S N 0.348 115.635 115.700 -0.689 0.000 2.603 457 S HA 0.168 4.640 4.470 0.002 0.000 0.229 457 S C 1.992 176.521 174.600 -0.119 0.000 0.972 457 S CA 0.594 58.261 58.200 -0.888 0.000 0.935 457 S CB -0.192 62.333 63.200 -1.124 0.000 0.769 457 S HN 0.330 nan 8.310 nan 0.000 0.536 458 L N 1.949 123.156 121.223 -0.027 0.000 2.591 458 L HA 0.170 4.511 4.340 0.002 0.000 0.228 458 L C 1.081 178.074 176.870 0.205 0.000 1.133 458 L CA 0.299 55.209 54.840 0.117 0.000 0.880 458 L CB -0.876 41.278 42.059 0.159 0.000 1.033 458 L HN 0.461 nan 8.230 nan 0.000 0.450 459 T N -4.420 110.236 114.554 0.170 0.000 2.918 459 T HA 0.338 4.689 4.350 0.002 0.000 0.286 459 T C -1.722 173.133 174.700 0.258 0.000 1.026 459 T CA -1.988 60.231 62.100 0.199 0.000 1.031 459 T CB 2.098 71.030 68.868 0.108 0.000 1.046 459 T HN -0.215 nan 8.240 nan 0.000 0.479 460 P HA -0.096 nan 4.420 nan 0.000 0.218 460 P C 1.795 179.280 177.300 0.309 0.000 1.149 460 P CA 1.125 64.412 63.100 0.311 0.000 0.817 460 P CB -0.320 31.515 31.700 0.226 0.000 0.785 461 V N -3.918 116.129 119.914 0.222 0.000 2.759 461 V HA -0.179 3.943 4.120 0.002 0.000 0.256 461 V C 2.374 178.541 176.094 0.121 0.000 1.080 461 V CA 1.125 63.531 62.300 0.176 0.000 1.101 461 V CB -2.221 29.653 31.823 0.085 0.000 0.698 461 V HN -0.118 nan 8.190 nan 0.000 0.477 462 F N 1.749 121.647 119.950 -0.088 0.000 2.134 462 F HA -0.142 4.386 4.527 0.002 0.000 0.299 462 F C 2.477 178.357 175.800 0.132 0.000 1.097 462 F CA 2.172 60.113 58.000 -0.098 0.000 1.264 462 F CB -0.217 38.585 39.000 -0.329 0.000 1.001 462 F HN 0.268 nan 8.300 nan 0.000 0.479 463 H N -0.834 118.580 119.070 0.572 0.000 2.539 463 H HA 0.094 4.651 4.556 0.002 0.000 0.267 463 H C 0.244 175.831 175.328 0.431 0.000 0.982 463 H CA 0.264 56.604 56.048 0.487 0.000 1.146 463 H CB -0.283 29.736 29.762 0.428 0.000 1.382 463 H HN 0.269 nan 8.280 nan 0.000 0.577 464 Q N 1.923 121.995 119.800 0.453 0.000 2.314 464 Q HA 0.168 4.509 4.340 0.002 0.000 0.259 464 Q C -0.581 175.651 176.000 0.387 0.000 0.951 464 Q CA -0.449 55.577 55.803 0.371 0.000 0.909 464 Q CB 0.877 29.797 28.738 0.304 0.000 1.236 464 Q HN 0.231 nan 8.270 nan 0.000 0.444 465 E N 3.441 123.820 120.200 0.299 0.000 2.383 465 E HA 0.300 4.652 4.350 0.002 0.000 0.264 465 E C -0.462 176.272 176.600 0.223 0.000 1.050 465 E CA 0.203 56.735 56.400 0.219 0.000 0.896 465 E CB 0.879 30.686 29.700 0.179 0.000 0.982 465 E HN 0.601 nan 8.360 nan 0.000 0.424 466 M N 1.144 120.873 119.600 0.215 0.000 2.550 466 M HA 0.396 4.877 4.480 0.002 0.000 0.292 466 M C -1.240 175.169 176.300 0.182 0.000 1.221 466 M CA -1.036 54.400 55.300 0.227 0.000 0.873 466 M CB 2.424 35.214 32.600 0.315 0.000 1.727 466 M HN 0.152 nan 8.290 nan 0.000 0.459 467 V N 1.709 121.744 119.914 0.202 0.000 2.448 467 V HA 0.465 4.586 4.120 0.002 0.000 0.295 467 V C -0.775 175.457 176.094 0.229 0.000 1.025 467 V CA -0.732 61.716 62.300 0.246 0.000 0.859 467 V CB 1.635 33.660 31.823 0.336 0.000 0.988 467 V HN 0.802 nan 8.190 nan 0.000 0.431 468 N N 3.994 122.812 118.700 0.196 0.000 2.408 468 N HA 0.664 5.405 4.740 0.002 0.000 0.280 468 N C -1.208 174.399 175.510 0.163 0.000 1.002 468 N CA -0.407 52.677 53.050 0.057 0.000 0.907 468 N CB 1.217 39.736 38.487 0.054 0.000 1.161 468 N HN 0.678 nan 8.380 nan 0.000 0.488 469 Y N 0.421 120.737 120.300 0.026 0.000 2.656 469 Y HA 0.550 5.101 4.550 0.002 0.000 0.334 469 Y C -1.087 174.813 175.900 -0.000 0.000 1.179 469 Y CA -1.247 56.860 58.100 0.012 0.000 1.050 469 Y CB 0.807 39.276 38.460 0.016 0.000 1.308 469 Y HN 0.196 nan 8.280 nan 0.000 0.456 470 I N 3.595 124.253 120.570 0.146 0.000 2.315 470 I HA 0.385 4.556 4.170 0.002 0.000 0.291 470 I C -0.646 175.533 176.117 0.103 0.000 1.006 470 I CA -0.411 60.921 61.300 0.054 0.000 1.265 470 I CB 0.946 38.963 38.000 0.029 0.000 1.387 470 I HN 0.445 nan 8.210 nan 0.000 0.475 471 L N 4.994 126.244 121.223 0.046 0.000 2.322 471 L HA 0.564 4.905 4.340 0.002 0.000 0.269 471 L C -0.013 176.856 176.870 -0.002 0.000 1.012 471 L CA -0.526 54.350 54.840 0.059 0.000 0.815 471 L CB 2.085 44.181 42.059 0.061 0.000 1.295 471 L HN 0.509 nan 8.230 nan 0.000 0.438 472 S N 1.190 116.898 115.700 0.013 0.000 2.513 472 S HA 0.625 5.096 4.470 0.002 0.000 0.299 472 S C -2.602 172.008 174.600 0.016 0.000 1.087 472 S CA -1.440 56.752 58.200 -0.014 0.000 1.012 472 S CB 1.874 65.079 63.200 0.008 0.000 1.044 472 S HN 0.229 nan 8.310 nan 0.000 0.485 473 P HA 0.346 nan 4.420 nan 0.000 0.266 473 P C -1.323 175.852 177.300 -0.209 0.000 1.193 473 P CA 0.088 63.094 63.100 -0.157 0.000 0.770 473 P CB 0.481 32.050 31.700 -0.219 0.000 0.836 474 A N 2.046 124.704 122.820 -0.270 0.000 2.606 474 A HA 0.694 5.015 4.320 0.002 0.000 0.293 474 A C -1.519 175.845 177.584 -0.367 0.000 1.082 474 A CA -0.518 51.360 52.037 -0.266 0.000 0.685 474 A CB 0.871 19.790 19.000 -0.136 0.000 1.284 474 A HN 0.348 nan 8.150 nan 0.000 0.408 475 F N 0.931 120.795 119.950 -0.144 0.000 2.404 475 F HA 0.697 5.225 4.527 0.002 0.000 0.339 475 F C 0.968 176.651 175.800 -0.194 0.000 1.105 475 F CA 0.155 58.065 58.000 -0.149 0.000 1.087 475 F CB 1.808 40.682 39.000 -0.211 0.000 1.143 475 F HN 0.574 nan 8.300 nan 0.000 0.491 476 R N 1.496 122.001 120.500 0.008 0.000 2.836 476 R HA 0.448 4.789 4.340 0.002 0.000 0.269 476 R C -1.654 174.585 176.300 -0.102 0.000 1.010 476 R CA -1.218 54.814 56.100 -0.114 0.000 0.930 476 R CB 1.677 31.950 30.300 -0.045 0.000 1.218 476 R HN 0.402 nan 8.270 nan 0.000 0.473 477 Y N 1.320 121.635 120.300 0.025 0.000 2.300 477 Y HA 0.187 4.738 4.550 0.002 0.000 0.328 477 Y C 0.582 176.476 175.900 -0.010 0.000 1.270 477 Y CA -0.046 58.060 58.100 0.009 0.000 1.352 477 Y CB 0.918 39.372 38.460 -0.011 0.000 1.286 477 Y HN 0.444 nan 8.280 nan 0.000 0.536 478 Q N 1.031 120.922 119.800 0.152 0.000 2.456 478 Q HA 0.632 4.973 4.340 0.002 0.000 0.284 478 Q C -3.147 172.824 176.000 -0.049 0.000 1.061 478 Q CA -2.484 53.339 55.803 0.034 0.000 0.799 478 Q CB 2.106 30.855 28.738 0.018 0.000 1.445 478 Q HN 0.262 nan 8.270 nan 0.000 0.411 479 P HA 0.088 nan 4.420 nan 0.000 0.269 479 P C -0.986 176.106 177.300 -0.347 0.000 1.215 479 P CA -0.043 62.932 63.100 -0.208 0.000 0.780 479 P CB 0.384 31.973 31.700 -0.185 0.000 0.898 480 D N 3.005 123.066 120.400 -0.564 0.000 2.424 480 D HA 0.017 4.658 4.640 0.002 0.000 0.244 480 D C -1.094 174.619 176.300 -0.978 0.000 1.134 480 D CA -1.116 52.269 54.000 -1.025 0.000 0.881 480 D CB 0.230 39.974 40.800 -1.760 0.000 1.191 480 D HN 0.298 nan 8.370 nan 0.000 0.445 481 P HA -0.032 nan 4.420 nan 0.000 0.239 481 P C -0.160 176.787 177.300 -0.588 0.000 1.184 481 P CA 0.503 63.209 63.100 -0.657 0.000 0.760 481 P CB -0.011 31.320 31.700 -0.614 0.000 0.884 482 W N 0.000 120.916 121.300 -0.641 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.102 57.345 -0.405 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