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 1p6l_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ 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 0.000 176.397 176.600 -0.339 0.000 0.988 69 K CA 0.000 56.056 56.287 -0.384 0.000 0.838 69 K CB 0.000 32.092 32.500 -0.681 0.000 1.064 70 F N 5.582 125.540 119.950 0.014 0.000 2.444 70 F HA 0.272 4.800 4.527 0.002 0.000 0.360 70 F C -1.808 174.061 175.800 0.114 0.000 1.106 70 F CA -1.828 56.200 58.000 0.046 0.000 1.170 70 F CB 0.294 39.319 39.000 0.042 0.000 1.113 70 F HN 0.055 nan 8.300 nan 0.000 0.521 71 P HA 0.075 nan 4.420 nan 0.000 0.275 71 P C -0.892 176.517 177.300 0.181 0.000 1.227 71 P CA -0.613 62.598 63.100 0.187 0.000 0.781 71 P CB 1.122 32.899 31.700 0.128 0.000 0.906 72 R N 2.363 122.916 120.500 0.087 0.000 2.196 72 R HA 0.375 4.716 4.340 0.002 0.000 0.340 72 R C -1.053 175.160 176.300 -0.145 0.000 1.043 72 R CA -0.527 55.470 56.100 -0.173 0.000 0.883 72 R CB 0.291 30.542 30.300 -0.083 0.000 1.078 72 R HN 0.236 nan 8.270 nan 0.000 0.462 73 V N 5.458 125.249 119.914 -0.205 0.000 2.370 73 V HA 0.314 4.435 4.120 0.002 0.000 0.279 73 V C 0.030 176.041 176.094 -0.138 0.000 1.029 73 V CA -0.495 61.752 62.300 -0.088 0.000 0.870 73 V CB 1.237 33.045 31.823 -0.025 0.000 0.984 73 V HN 0.723 nan 8.190 nan 0.000 0.451 74 K N 3.974 124.321 120.400 -0.088 0.000 2.318 74 K HA 0.421 4.742 4.320 0.002 0.000 0.249 74 K C -0.724 175.792 176.600 -0.140 0.000 0.942 74 K CA -0.770 55.392 56.287 -0.208 0.000 0.808 74 K CB 1.595 33.845 32.500 -0.417 0.000 1.189 74 K HN 0.687 nan 8.250 nan 0.000 0.428 75 N N 3.627 122.214 118.700 -0.187 0.000 2.444 75 N HA 0.119 4.860 4.740 0.002 0.000 0.262 75 N C -0.425 175.006 175.510 -0.132 0.000 0.974 75 N CA -0.349 52.690 53.050 -0.018 0.000 0.933 75 N CB 0.537 39.038 38.487 0.024 0.000 1.137 75 N HN 0.640 nan 8.380 nan 0.000 0.498 76 W N 2.006 123.371 121.300 0.108 0.000 3.180 76 W HA 0.183 4.844 4.660 0.002 0.000 0.254 76 W C 1.957 178.517 176.519 0.070 0.000 1.318 76 W CA -0.238 57.163 57.345 0.094 0.000 1.608 76 W CB 0.288 29.820 29.460 0.119 0.000 1.124 76 W HN 0.666 nan 8.180 nan 0.000 0.694 77 E N 0.334 120.657 120.200 0.204 0.000 2.166 77 E HA -0.059 4.292 4.350 0.002 0.000 0.192 77 E C 1.688 178.308 176.600 0.033 0.000 0.967 77 E CA 0.868 57.302 56.400 0.057 0.000 0.840 77 E CB -0.095 29.606 29.700 0.002 0.000 0.795 77 E HN 0.261 nan 8.360 nan 0.000 0.470 78 L N -1.020 120.220 121.223 0.027 0.000 2.470 78 L HA 0.343 4.684 4.340 0.002 0.000 0.219 78 L C 1.601 178.447 176.870 -0.041 0.000 1.071 78 L CA 0.505 55.343 54.840 -0.003 0.000 0.850 78 L CB 0.536 42.597 42.059 0.003 0.000 1.040 78 L HN 0.419 nan 8.230 nan 0.000 0.475 79 G N 0.520 109.266 108.800 -0.090 0.000 2.176 79 G HA2 -0.293 3.668 3.960 0.002 0.000 0.253 79 G HA3 -0.293 3.668 3.960 0.002 0.000 0.253 79 G C 0.404 175.204 174.900 -0.168 0.000 0.979 79 G CA 0.349 45.353 45.100 -0.160 0.000 0.641 79 G HN 0.437 nan 8.290 nan 0.000 0.530 80 S N -0.400 115.223 115.700 -0.128 0.000 2.585 80 S HA 0.741 5.212 4.470 0.002 0.000 0.273 80 S C 0.108 174.612 174.600 -0.160 0.000 1.339 80 S CA -0.247 57.886 58.200 -0.112 0.000 1.028 80 S CB 2.014 65.174 63.200 -0.067 0.000 0.906 80 S HN 0.671 nan 8.310 nan 0.000 0.528 81 I N 1.494 121.974 120.570 -0.150 0.000 2.619 81 I HA 0.470 4.641 4.170 0.002 0.000 0.292 81 I C -0.118 175.865 176.117 -0.223 0.000 1.100 81 I CA -0.472 60.697 61.300 -0.219 0.000 1.043 81 I CB 2.672 40.524 38.000 -0.246 0.000 1.239 81 I HN 1.000 nan 8.210 nan 0.000 0.420 82 T N 0.994 115.364 114.554 -0.306 0.000 2.864 82 T HA 0.654 5.005 4.350 0.002 0.000 0.289 82 T C -1.278 173.133 174.700 -0.482 0.000 1.082 82 T CA -0.820 61.132 62.100 -0.246 0.000 1.009 82 T CB 1.777 70.586 68.868 -0.098 0.000 1.234 82 T HN 0.283 nan 8.240 nan 0.000 0.526 83 Y N -0.030 120.260 120.300 -0.017 0.000 2.361 83 Y HA 0.447 4.998 4.550 0.002 0.000 0.337 83 Y C -0.248 175.637 175.900 -0.023 0.000 0.965 83 Y CA -1.021 57.076 58.100 -0.006 0.000 1.091 83 Y CB 1.769 40.212 38.460 -0.028 0.000 1.182 83 Y HN 0.709 nan 8.280 nan 0.000 0.450 84 D N 2.249 122.732 120.400 0.138 0.000 2.365 84 D HA 0.079 4.720 4.640 0.002 0.000 0.237 84 D C 0.732 177.074 176.300 0.070 0.000 1.190 84 D CA 0.163 54.221 54.000 0.095 0.000 0.867 84 D CB 1.251 42.133 40.800 0.137 0.000 1.050 84 D HN 0.792 nan 8.370 nan 0.000 0.491 85 T N 1.039 115.549 114.554 -0.073 0.000 3.023 85 T HA -0.033 4.318 4.350 0.002 0.000 0.253 85 T C 1.765 176.417 174.700 -0.081 0.000 1.038 85 T CA -0.255 61.707 62.100 -0.230 0.000 0.962 85 T CB 0.100 68.625 68.868 -0.573 0.000 1.018 85 T HN 0.246 nan 8.240 nan 0.000 0.521 86 L N 2.370 123.558 121.223 -0.059 0.000 2.141 86 L HA 0.092 4.433 4.340 0.002 0.000 0.209 86 L C 2.656 179.416 176.870 -0.184 0.000 1.094 86 L CA 1.290 56.109 54.840 -0.036 0.000 0.763 86 L CB -0.941 41.164 42.059 0.076 0.000 0.908 86 L HN 0.661 nan 8.230 nan 0.000 0.437 87 C N -1.223 117.760 119.300 -0.529 0.000 2.410 87 C HA -0.019 4.442 4.460 0.002 0.000 0.281 87 C C 2.770 177.508 174.990 -0.421 0.000 1.318 87 C CA 0.255 58.577 59.018 -1.160 0.000 1.776 87 C CB -2.220 24.799 27.740 -1.202 0.000 1.942 87 C HN 0.581 nan 8.230 nan 0.000 0.508 88 A N -0.036 122.709 122.820 -0.124 0.000 2.178 88 A HA -0.085 4.236 4.320 0.002 0.000 0.218 88 A C 2.192 179.769 177.584 -0.011 0.000 1.157 88 A CA 1.353 53.388 52.037 -0.003 0.000 0.689 88 A CB -0.450 18.658 19.000 0.181 0.000 0.787 88 A HN 0.741 nan 8.150 nan 0.000 0.465 89 Q N -0.097 119.688 119.800 -0.026 0.000 2.403 89 Q HA 0.093 4.434 4.340 0.002 0.000 0.203 89 Q C 0.417 176.441 176.000 0.039 0.000 0.932 89 Q CA 0.159 55.974 55.803 0.020 0.000 0.945 89 Q CB -0.114 28.648 28.738 0.039 0.000 1.045 89 Q HN 0.471 nan 8.270 nan 0.000 0.511 90 S N 1.162 116.873 115.700 0.018 0.000 2.455 90 S HA 0.071 4.542 4.470 0.002 0.000 0.278 90 S C 0.899 175.527 174.600 0.047 0.000 1.216 90 S CA -0.178 58.064 58.200 0.069 0.000 1.055 90 S CB 0.466 63.722 63.200 0.093 0.000 0.939 90 S HN 0.098 nan 8.310 nan 0.000 0.494 91 Q N 2.312 122.145 119.800 0.054 0.000 2.352 91 Q HA 0.193 4.534 4.340 0.002 0.000 0.212 91 Q C 0.133 176.156 176.000 0.037 0.000 0.888 91 Q CA 0.299 56.127 55.803 0.041 0.000 0.934 91 Q CB 0.356 29.121 28.738 0.045 0.000 1.093 91 Q HN 0.751 nan 8.270 nan 0.000 0.523 92 Q N 1.089 120.915 119.800 0.044 0.000 2.312 92 Q HA 0.248 4.590 4.340 0.002 0.000 0.263 92 Q C -1.337 174.686 176.000 0.039 0.000 0.995 92 Q CA -0.382 55.442 55.803 0.035 0.000 0.853 92 Q CB 1.280 30.035 28.738 0.028 0.000 1.300 92 Q HN -0.177 nan 8.270 nan 0.000 0.448 93 D N 1.982 122.400 120.400 0.029 0.000 2.345 93 D HA 0.443 5.084 4.640 0.002 0.000 0.247 93 D C 0.010 176.329 176.300 0.031 0.000 1.108 93 D CA 0.296 54.315 54.000 0.031 0.000 0.894 93 D CB 1.264 42.077 40.800 0.022 0.000 1.203 93 D HN 0.673 nan 8.370 nan 0.000 0.430 94 G N 0.845 109.668 108.800 0.038 0.000 2.557 94 G HA2 0.385 4.346 3.960 0.002 0.000 0.302 94 G HA3 0.385 4.346 3.960 0.002 0.000 0.302 94 G C -1.450 173.469 174.900 0.030 0.000 1.311 94 G CA -0.720 44.401 45.100 0.035 0.000 1.030 94 G HN 0.369 nan 8.290 nan 0.000 0.509 95 P HA 0.149 nan 4.420 nan 0.000 0.245 95 P C 0.195 177.512 177.300 0.028 0.000 1.206 95 P CA -0.012 63.105 63.100 0.030 0.000 0.781 95 P CB 0.139 31.860 31.700 0.034 0.000 0.994 96 C N 0.761 120.080 119.300 0.031 0.000 2.459 96 C HA 0.632 5.093 4.460 0.002 0.000 0.374 96 C C 1.024 176.027 174.990 0.022 0.000 1.241 96 C CA 0.023 59.058 59.018 0.027 0.000 2.352 96 C CB 1.084 28.843 27.740 0.032 0.000 2.490 96 C HN 0.385 nan 8.230 nan 0.000 0.583 97 T N -1.354 113.210 114.554 0.017 0.000 2.841 97 T HA 0.453 4.804 4.350 0.002 0.000 0.296 97 T C -2.475 172.230 174.700 0.009 0.000 1.166 97 T CA -1.135 60.972 62.100 0.012 0.000 1.007 97 T CB 1.300 70.174 68.868 0.009 0.000 1.253 97 T HN 0.277 nan 8.240 nan 0.000 0.511 98 P HA 0.044 nan 4.420 nan 0.000 0.220 98 P C 1.488 178.789 177.300 0.002 0.000 1.148 98 P CA 0.575 63.677 63.100 0.003 0.000 0.803 98 P CB 0.118 31.817 31.700 -0.000 0.000 0.782 99 R N 0.012 120.514 120.500 0.003 0.000 2.090 99 R HA -0.037 4.304 4.340 0.002 0.000 0.228 99 R C 0.486 176.788 176.300 0.003 0.000 1.110 99 R CA 0.874 56.975 56.100 0.002 0.000 0.973 99 R CB 0.181 30.483 30.300 0.002 0.000 0.869 99 R HN 0.066 nan 8.270 nan 0.000 0.440 100 R N -0.025 120.478 120.500 0.005 0.000 2.594 100 R HA 0.132 4.473 4.340 0.002 0.000 0.265 100 R C -1.769 174.537 176.300 0.010 0.000 1.070 100 R CA -0.704 55.399 56.100 0.006 0.000 0.909 100 R CB 0.021 30.324 30.300 0.006 0.000 1.243 100 R HN 0.094 nan 8.270 nan 0.000 0.455 101 C N 4.121 123.426 119.300 0.009 0.000 2.435 101 C HA 0.565 5.026 4.460 0.002 0.000 0.375 101 C C 0.805 175.808 174.990 0.020 0.000 1.281 101 C CA -0.597 58.430 59.018 0.014 0.000 1.963 101 C CB -0.787 26.958 27.740 0.008 0.000 2.490 101 C HN 0.779 nan 8.230 nan 0.000 0.557 102 L N 5.688 126.928 121.223 0.029 0.000 3.202 102 L HA 0.284 4.625 4.340 0.002 0.000 0.278 102 L C 2.035 178.937 176.870 0.052 0.000 1.268 102 L CA 0.228 55.090 54.840 0.037 0.000 1.034 102 L CB -0.104 41.975 42.059 0.034 0.000 1.407 102 L HN 1.019 nan 8.230 nan 0.000 0.581 103 G N 0.376 109.208 108.800 0.054 0.000 2.498 103 G HA2 -0.247 3.714 3.960 0.002 0.000 0.219 103 G HA3 -0.247 3.714 3.960 0.002 0.000 0.219 103 G C 1.529 176.495 174.900 0.109 0.000 1.119 103 G CA 1.169 46.313 45.100 0.073 0.000 0.766 103 G HN 0.511 nan 8.290 nan 0.000 0.552 104 S N -0.663 115.100 115.700 0.105 0.000 2.558 104 S HA 0.319 4.790 4.470 0.002 0.000 0.217 104 S C 0.670 175.361 174.600 0.151 0.000 0.975 104 S CA -0.466 57.818 58.200 0.141 0.000 0.912 104 S CB 0.049 63.312 63.200 0.106 0.000 0.776 104 S HN -0.005 nan 8.310 nan 0.000 0.526 105 L N 2.084 123.379 121.223 0.120 0.000 2.426 105 L HA 0.243 4.584 4.340 0.002 0.000 0.271 105 L C 1.449 178.414 176.870 0.159 0.000 1.169 105 L CA 0.189 55.097 54.840 0.115 0.000 0.836 105 L CB 0.671 42.776 42.059 0.078 0.000 1.112 105 L HN -0.022 nan 8.230 nan 0.000 0.465 106 V N 2.915 122.932 119.914 0.172 0.000 2.255 106 V HA -0.071 4.050 4.120 0.002 0.000 0.243 106 V C 0.853 177.044 176.094 0.162 0.000 1.038 106 V CA 1.036 63.472 62.300 0.227 0.000 1.008 106 V CB -0.297 31.651 31.823 0.208 0.000 0.645 106 V HN 0.464 nan 8.190 nan 0.000 0.449 107 L N 0.183 121.451 121.223 0.075 0.000 2.344 107 L HA 0.429 4.770 4.340 0.002 0.000 0.272 107 L C -2.420 174.504 176.870 0.090 0.000 1.035 107 L CA -1.710 53.166 54.840 0.060 0.000 0.807 107 L CB 0.623 42.649 42.059 -0.055 0.000 1.237 107 L HN 0.107 nan 8.230 nan 0.000 0.442 108 P HA 0.244 nan 4.420 nan 0.000 0.281 108 P C -0.435 176.893 177.300 0.046 0.000 1.286 108 P CA -0.616 62.530 63.100 0.077 0.000 0.772 108 P CB 0.841 32.592 31.700 0.085 0.000 0.862 122 A N 1.333 124.163 122.820 0.016 0.000 1.927 122 A HA -0.253 4.068 4.320 0.002 0.000 0.220 122 A C 1.752 179.345 177.584 0.015 0.000 1.185 122 A CA 2.232 54.280 52.037 0.018 0.000 0.639 122 A CB -0.422 18.587 19.000 0.015 0.000 0.820 122 A HN 0.742 nan 8.150 nan 0.000 0.451 123 E N -1.228 118.979 120.200 0.012 0.000 2.058 123 E HA -0.281 4.070 4.350 0.002 0.000 0.194 123 E C 2.288 178.897 176.600 0.015 0.000 0.997 123 E CA 1.546 57.952 56.400 0.010 0.000 0.801 123 E CB -0.156 29.549 29.700 0.008 0.000 0.746 123 E HN 0.723 nan 8.360 nan 0.000 0.450 124 Q N 1.155 120.965 119.800 0.017 0.000 1.965 124 Q HA -0.167 4.174 4.340 0.002 0.000 0.200 124 Q C 2.161 178.181 176.000 0.033 0.000 0.981 124 Q CA 1.197 57.013 55.803 0.022 0.000 0.834 124 Q CB -0.599 28.150 28.738 0.018 0.000 0.900 124 Q HN 0.240 nan 8.270 nan 0.000 0.426 125 L N 0.047 121.292 121.223 0.038 0.000 2.013 125 L HA -0.167 4.174 4.340 0.002 0.000 0.212 125 L C 2.171 179.076 176.870 0.060 0.000 1.073 125 L CA 1.897 56.776 54.840 0.064 0.000 0.753 125 L CB -1.084 41.022 42.059 0.077 0.000 0.890 125 L HN 0.485 nan 8.230 nan 0.000 0.432 126 L N -0.616 120.622 121.223 0.024 0.000 2.079 126 L HA -0.199 4.142 4.340 0.002 0.000 0.210 126 L C 2.775 179.646 176.870 0.001 0.000 1.081 126 L CA 2.145 56.978 54.840 -0.013 0.000 0.752 126 L CB -0.830 41.219 42.059 -0.016 0.000 0.896 126 L HN 0.656 nan 8.230 nan 0.000 0.433 127 S N -1.806 113.908 115.700 0.023 0.000 2.371 127 S HA -0.217 4.254 4.470 0.002 0.000 0.224 127 S C 1.888 176.526 174.600 0.063 0.000 1.029 127 S CA 0.999 59.219 58.200 0.034 0.000 0.978 127 S CB -0.603 62.616 63.200 0.031 0.000 0.833 127 S HN 0.628 nan 8.310 nan 0.000 0.466 128 Q N 1.277 121.122 119.800 0.075 0.000 2.084 128 Q HA 0.017 4.358 4.340 0.002 0.000 0.202 128 Q C 2.649 178.749 176.000 0.168 0.000 0.978 128 Q CA 1.464 57.335 55.803 0.112 0.000 0.844 128 Q CB -0.595 28.202 28.738 0.098 0.000 0.898 128 Q HN 0.764 nan 8.270 nan 0.000 0.426 129 A N 1.572 124.473 122.820 0.136 0.000 1.851 129 A HA -0.240 4.081 4.320 0.002 0.000 0.216 129 A C 2.028 179.692 177.584 0.133 0.000 1.195 129 A CA 1.611 53.724 52.037 0.125 0.000 0.622 129 A CB -0.560 18.307 19.000 -0.221 0.000 0.831 129 A HN 0.242 nan 8.150 nan 0.000 0.444 130 R N -0.489 120.045 120.500 0.057 0.000 2.096 130 R HA -0.213 4.128 4.340 0.002 0.000 0.240 130 R C 2.053 178.430 176.300 0.129 0.000 1.139 130 R CA 1.756 57.901 56.100 0.075 0.000 0.952 130 R CB -0.658 29.664 30.300 0.038 0.000 0.854 130 R HN 0.725 nan 8.270 nan 0.000 0.436 131 D N 0.263 120.745 120.400 0.136 0.000 2.104 131 D HA -0.225 4.416 4.640 0.002 0.000 0.194 131 D C 1.647 178.056 176.300 0.181 0.000 0.994 131 D CA 1.161 55.248 54.000 0.145 0.000 0.830 131 D CB -0.122 40.763 40.800 0.141 0.000 0.959 131 D HN 0.194 nan 8.370 nan 0.000 0.452 132 F N 0.592 120.627 119.950 0.142 0.000 2.186 132 F HA -0.034 4.494 4.527 0.002 0.000 0.299 132 F C 1.918 177.842 175.800 0.206 0.000 1.090 132 F CA 0.909 59.024 58.000 0.193 0.000 1.307 132 F CB -0.114 39.008 39.000 0.203 0.000 1.019 132 F HN -0.008 nan 8.300 nan 0.000 0.489 133 I N 0.749 121.319 120.570 -0.001 0.000 2.394 133 I HA -0.252 3.919 4.170 0.002 0.000 0.251 133 I C 1.890 177.985 176.117 -0.036 0.000 1.136 133 I CA 0.946 62.237 61.300 -0.015 0.000 1.425 133 I CB -1.516 36.600 38.000 0.194 0.000 1.079 133 I HN 0.244 nan 8.210 nan 0.000 0.425 134 N N 0.919 119.634 118.700 0.024 0.000 2.106 134 N HA -0.163 4.578 4.740 0.002 0.000 0.188 134 N C 1.821 177.260 175.510 -0.119 0.000 1.029 134 N CA 1.057 54.123 53.050 0.027 0.000 0.848 134 N CB -0.286 38.275 38.487 0.124 0.000 1.007 134 N HN 0.474 nan 8.380 nan 0.000 0.423 135 Q N -0.438 119.287 119.800 -0.124 0.000 2.135 135 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 135 Q C 1.763 177.462 176.000 -0.501 0.000 0.981 135 Q CA 1.233 56.958 55.803 -0.130 0.000 0.856 135 Q CB -0.208 28.591 28.738 0.102 0.000 0.902 135 Q HN 0.458 nan 8.270 nan 0.000 0.425 136 Y N -0.218 119.532 120.300 -0.916 0.000 2.163 136 Y HA -0.266 4.285 4.550 0.002 0.000 0.288 136 Y C 1.591 176.907 175.900 -0.973 0.000 1.136 136 Y CA 1.534 58.830 58.100 -1.340 0.000 1.147 136 Y CB -0.407 37.378 38.460 -1.125 0.000 0.987 136 Y HN 0.068 nan 8.280 nan 0.000 0.509 137 Y N -0.332 119.510 120.300 -0.764 0.000 2.352 137 Y HA -0.165 4.386 4.550 0.002 0.000 0.292 137 Y C 2.696 178.283 175.900 -0.521 0.000 1.136 137 Y CA 1.502 59.176 58.100 -0.711 0.000 1.227 137 Y CB -0.350 37.645 38.460 -0.774 0.000 0.991 137 Y HN 0.090 nan 8.280 nan 0.000 0.545 138 S N -0.627 114.883 115.700 -0.316 0.000 2.368 138 S HA -0.211 4.260 4.470 0.002 0.000 0.224 138 S C 2.273 176.721 174.600 -0.253 0.000 1.029 138 S CA 1.308 59.390 58.200 -0.196 0.000 0.988 138 S CB -0.613 62.516 63.200 -0.119 0.000 0.838 138 S HN 0.636 nan 8.310 nan 0.000 0.462 139 S N 2.674 118.124 115.700 -0.417 0.000 2.400 139 S HA -0.094 4.377 4.470 0.002 0.000 0.232 139 S C 1.661 176.051 174.600 -0.350 0.000 1.025 139 S CA 1.265 59.251 58.200 -0.356 0.000 0.993 139 S CB -0.838 62.014 63.200 -0.580 0.000 0.808 139 S HN 0.738 nan 8.310 nan 0.000 0.478 140 I N -2.649 117.615 120.570 -0.510 0.000 3.928 140 I HA 0.428 4.599 4.170 0.002 0.000 0.335 140 I C 0.352 176.335 176.117 -0.224 0.000 1.325 140 I CA -0.509 60.562 61.300 -0.382 0.000 1.107 140 I CB -0.439 37.240 38.000 -0.536 0.000 1.014 140 I HN 0.034 nan 8.210 nan 0.000 0.400 141 K N 1.330 121.618 120.400 -0.187 0.000 3.130 141 K HA -0.205 4.116 4.320 0.002 0.000 0.282 141 K C 0.428 176.997 176.600 -0.052 0.000 1.145 141 K CA 1.010 57.237 56.287 -0.099 0.000 0.831 141 K CB -1.426 31.030 32.500 -0.073 0.000 1.226 141 K HN 0.553 nan 8.250 nan 0.000 0.478 142 R N 0.664 121.145 120.500 -0.033 0.000 2.609 142 R HA 0.119 4.460 4.340 0.002 0.000 0.326 142 R C 0.134 176.496 176.300 0.103 0.000 1.090 142 R CA -0.140 55.992 56.100 0.054 0.000 1.072 142 R CB 0.996 31.362 30.300 0.111 0.000 1.330 142 R HN 0.099 nan 8.270 nan 0.000 0.572 143 S N -0.322 115.420 115.700 0.070 0.000 2.558 143 S HA 0.191 4.662 4.470 0.002 0.000 0.288 143 S C 1.505 176.198 174.600 0.154 0.000 1.318 143 S CA 1.221 59.512 58.200 0.152 0.000 1.056 143 S CB 0.588 63.836 63.200 0.081 0.000 0.853 143 S HN 0.705 nan 8.310 nan 0.000 0.505 144 G N 2.949 111.894 108.800 0.241 0.000 2.284 144 G HA2 -0.340 3.621 3.960 0.002 0.000 0.261 144 G HA3 -0.340 3.621 3.960 0.002 0.000 0.261 144 G C 0.490 175.357 174.900 -0.055 0.000 0.997 144 G CA 0.916 46.002 45.100 -0.024 0.000 0.621 144 G HN 1.690 nan 8.290 nan 0.000 0.534 145 S N -0.477 115.215 115.700 -0.012 0.000 2.641 145 S HA 0.357 4.828 4.470 0.002 0.000 0.251 145 S C 1.368 175.926 174.600 -0.069 0.000 1.332 145 S CA 1.116 59.298 58.200 -0.030 0.000 0.968 145 S CB 0.758 63.960 63.200 0.004 0.000 0.987 145 S HN 0.552 nan 8.310 nan 0.000 0.587 146 Q N 0.611 120.383 119.800 -0.047 0.000 2.049 146 Q HA 0.095 4.436 4.340 0.002 0.000 0.198 146 Q C 2.308 178.270 176.000 -0.065 0.000 0.971 146 Q CA 2.162 57.934 55.803 -0.052 0.000 0.833 146 Q CB -1.290 27.434 28.738 -0.023 0.000 0.896 146 Q HN 0.889 nan 8.270 nan 0.000 0.434 147 A N -0.464 122.334 122.820 -0.037 0.000 1.986 147 A HA -0.268 4.053 4.320 0.002 0.000 0.220 147 A C 2.052 179.489 177.584 -0.245 0.000 1.171 147 A CA 1.925 53.955 52.037 -0.011 0.000 0.640 147 A CB -1.018 18.078 19.000 0.160 0.000 0.811 147 A HN 0.735 nan 8.150 nan 0.000 0.451 148 H N -0.794 117.856 119.070 -0.701 0.000 2.333 148 H HA -0.064 4.493 4.556 0.002 0.000 0.302 148 H C 2.088 177.134 175.328 -0.470 0.000 1.075 148 H CA 1.220 56.597 56.048 -1.118 0.000 1.348 148 H CB 0.104 29.317 29.762 -0.915 0.000 1.393 148 H HN 0.626 nan 8.280 nan 0.000 0.509 149 E N 0.512 120.570 120.200 -0.238 0.000 2.077 149 E HA -0.178 4.173 4.350 0.002 0.000 0.193 149 E C 2.142 178.681 176.600 -0.102 0.000 0.989 149 E CA 1.194 57.474 56.400 -0.199 0.000 0.800 149 E CB 0.019 29.623 29.700 -0.160 0.000 0.746 149 E HN 0.636 nan 8.360 nan 0.000 0.452 150 E N 0.536 120.694 120.200 -0.068 0.000 2.077 150 E HA -0.207 4.144 4.350 0.002 0.000 0.193 150 E C 2.169 178.777 176.600 0.014 0.000 0.989 150 E CA 0.815 57.204 56.400 -0.018 0.000 0.800 150 E CB -0.036 29.666 29.700 0.004 0.000 0.746 150 E HN -0.054 nan 8.360 nan 0.000 0.452 151 R N 1.203 121.725 120.500 0.037 0.000 2.120 151 R HA -0.080 4.261 4.340 0.002 0.000 0.234 151 R C 1.998 178.348 176.300 0.082 0.000 1.123 151 R CA 1.093 57.259 56.100 0.111 0.000 0.975 151 R CB -0.478 29.975 30.300 0.255 0.000 0.866 151 R HN 0.175 nan 8.270 nan 0.000 0.446 152 L N -0.016 121.235 121.223 0.047 0.000 2.109 152 L HA -0.130 4.211 4.340 0.002 0.000 0.207 152 L C 2.390 179.248 176.870 -0.018 0.000 1.086 152 L CA 1.405 56.254 54.840 0.014 0.000 0.760 152 L CB -0.349 41.694 42.059 -0.027 0.000 0.910 152 L HN 0.292 nan 8.230 nan 0.000 0.437 153 Q N -0.324 119.466 119.800 -0.018 0.000 2.123 153 Q HA -0.193 4.148 4.340 0.002 0.000 0.199 153 Q C 2.010 178.010 176.000 -0.001 0.000 0.966 153 Q CA 1.143 56.936 55.803 -0.016 0.000 0.845 153 Q CB -0.059 28.669 28.738 -0.016 0.000 0.907 153 Q HN 0.521 nan 8.270 nan 0.000 0.439 154 E N 0.255 120.466 120.200 0.018 0.000 2.058 154 E HA -0.177 4.174 4.350 0.002 0.000 0.194 154 E C 2.140 178.756 176.600 0.028 0.000 0.997 154 E CA 1.502 57.926 56.400 0.040 0.000 0.801 154 E CB 0.023 29.765 29.700 0.070 0.000 0.746 154 E HN 0.135 nan 8.360 nan 0.000 0.450 155 V N 1.812 121.714 119.914 -0.020 0.000 2.295 155 V HA -0.251 3.870 4.120 0.002 0.000 0.246 155 V C 2.238 178.260 176.094 -0.120 0.000 1.049 155 V CA 1.704 63.913 62.300 -0.152 0.000 1.024 155 V CB -0.541 31.084 31.823 -0.331 0.000 0.648 155 V HN 0.212 nan 8.190 nan 0.000 0.447 156 E N 0.578 120.731 120.200 -0.078 0.000 2.033 156 E HA -0.281 4.070 4.350 0.002 0.000 0.199 156 E C 2.426 179.017 176.600 -0.015 0.000 1.011 156 E CA 1.769 58.140 56.400 -0.048 0.000 0.815 156 E CB -0.661 29.018 29.700 -0.034 0.000 0.755 156 E HN 0.560 nan 8.360 nan 0.000 0.451 157 A N 1.322 124.142 122.820 0.001 0.000 1.892 157 A HA -0.290 4.031 4.320 0.002 0.000 0.218 157 A C 2.152 179.759 177.584 0.039 0.000 1.188 157 A CA 2.165 54.214 52.037 0.020 0.000 0.631 157 A CB -0.675 18.340 19.000 0.025 0.000 0.822 157 A HN 0.343 nan 8.150 nan 0.000 0.447 158 E N -0.594 119.642 120.200 0.059 0.000 2.077 158 E HA -0.121 4.230 4.350 0.002 0.000 0.193 158 E C 1.926 178.585 176.600 0.098 0.000 0.989 158 E CA 1.396 57.858 56.400 0.103 0.000 0.800 158 E CB -0.109 29.697 29.700 0.175 0.000 0.746 158 E HN 0.349 nan 8.360 nan 0.000 0.452 159 V N 1.090 121.048 119.914 0.073 0.000 2.307 159 V HA -0.237 3.884 4.120 0.002 0.000 0.245 159 V C 2.423 178.543 176.094 0.044 0.000 1.045 159 V CA 1.736 64.076 62.300 0.068 0.000 1.024 159 V CB -0.815 31.027 31.823 0.033 0.000 0.651 159 V HN 0.420 nan 8.190 nan 0.000 0.449 160 A N -0.308 122.529 122.820 0.028 0.000 1.940 160 A HA -0.209 4.112 4.320 0.002 0.000 0.219 160 A C 2.454 180.055 177.584 0.028 0.000 1.176 160 A CA 2.445 54.495 52.037 0.022 0.000 0.631 160 A CB -0.533 18.475 19.000 0.013 0.000 0.814 160 A HN 0.528 nan 8.150 nan 0.000 0.446 161 S N -1.280 114.442 115.700 0.037 0.000 2.404 161 S HA -0.047 4.424 4.470 0.002 0.000 0.223 161 S C 1.981 176.609 174.600 0.046 0.000 1.040 161 S CA 1.560 59.784 58.200 0.040 0.000 0.957 161 S CB -0.148 63.078 63.200 0.043 0.000 0.826 161 S HN 0.878 nan 8.310 nan 0.000 0.491 162 T N -2.306 112.285 114.554 0.061 0.000 3.010 162 T HA 0.454 4.805 4.350 0.002 0.000 0.257 162 T C 1.375 176.109 174.700 0.056 0.000 1.020 162 T CA 0.799 62.938 62.100 0.065 0.000 0.938 162 T CB 0.503 69.427 68.868 0.093 0.000 1.049 162 T HN 0.526 nan 8.240 nan 0.000 0.522 163 G N 0.195 109.027 108.800 0.054 0.000 2.162 163 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 0.173 175.103 174.900 0.051 0.000 0.976 163 G CA 0.593 45.719 45.100 0.044 0.000 0.655 163 G HN 1.019 nan 8.290 nan 0.000 0.533 164 T N -1.711 112.888 114.554 0.076 0.000 2.653 164 T HA 0.704 5.055 4.350 0.002 0.000 0.306 164 T C -1.244 173.563 174.700 0.178 0.000 1.426 164 T CA 0.487 62.630 62.100 0.071 0.000 1.008 164 T CB 1.265 70.087 68.868 -0.076 0.000 1.692 164 T HN 1.641 nan 8.240 nan 0.000 0.483 165 Y N -0.963 119.233 120.300 -0.173 0.000 2.818 165 Y HA 0.791 5.342 4.550 0.002 0.000 0.341 165 Y C -1.803 173.876 175.900 -0.368 0.000 1.283 165 Y CA -1.215 56.829 58.100 -0.094 0.000 1.075 165 Y CB 0.690 39.158 38.460 0.014 0.000 1.370 165 Y HN 0.796 nan 8.280 nan 0.000 0.448 166 H N 0.450 119.507 119.070 -0.022 0.000 2.865 166 H HA 0.687 5.245 4.556 0.002 0.000 0.372 166 H C -1.195 174.144 175.328 0.019 0.000 1.173 166 H CA -0.920 55.055 56.048 -0.121 0.000 1.147 166 H CB 2.007 31.763 29.762 -0.010 0.000 1.805 166 H HN 0.728 nan 8.280 nan 0.000 0.553 167 L N 2.045 123.324 121.223 0.093 0.000 2.334 167 L HA 0.457 4.798 4.340 0.002 0.000 0.277 167 L C 0.253 177.181 176.870 0.097 0.000 1.075 167 L CA -1.043 53.870 54.840 0.122 0.000 0.804 167 L CB 0.579 42.670 42.059 0.055 0.000 1.174 167 L HN 0.353 nan 8.230 nan 0.000 0.438 168 R N 1.486 122.027 120.500 0.068 0.000 2.539 168 R HA 0.035 4.376 4.340 0.002 0.000 0.275 168 R C 0.948 177.237 176.300 -0.019 0.000 1.077 168 R CA -0.243 55.869 56.100 0.020 0.000 1.097 168 R CB 0.563 30.857 30.300 -0.011 0.000 1.018 168 R HN 0.690 nan 8.270 nan 0.000 0.483 169 E N 1.576 121.766 120.200 -0.017 0.000 2.114 169 E HA -0.272 4.079 4.350 0.002 0.000 0.199 169 E C 1.178 177.760 176.600 -0.031 0.000 1.008 169 E CA 2.381 58.761 56.400 -0.032 0.000 0.810 169 E CB 0.161 29.847 29.700 -0.023 0.000 0.739 169 E HN 0.672 nan 8.360 nan 0.000 0.456 170 S N -0.125 115.558 115.700 -0.028 0.000 2.402 170 S HA -0.171 4.300 4.470 0.002 0.000 0.229 170 S C 1.753 176.350 174.600 -0.005 0.000 1.021 170 S CA 1.210 59.418 58.200 0.012 0.000 0.974 170 S CB -0.256 62.975 63.200 0.053 0.000 0.800 170 S HN 0.374 nan 8.310 nan 0.000 0.484 171 E N 1.046 121.129 120.200 -0.194 0.000 2.072 171 E HA -0.019 4.332 4.350 0.002 0.000 0.190 171 E C 2.047 178.764 176.600 0.195 0.000 0.982 171 E CA 1.033 57.337 56.400 -0.160 0.000 0.803 171 E CB -0.343 29.260 29.700 -0.162 0.000 0.755 171 E HN 0.455 nan 8.360 nan 0.000 0.453 172 L N 0.958 122.198 121.223 0.028 0.000 2.083 172 L HA -0.158 4.183 4.340 0.002 0.000 0.209 172 L C 2.128 178.974 176.870 -0.040 0.000 1.083 172 L CA 1.311 56.103 54.840 -0.080 0.000 0.752 172 L CB -0.166 41.784 42.059 -0.181 0.000 0.899 172 L HN -0.065 nan 8.230 nan 0.000 0.433 173 V N -0.502 119.427 119.914 0.025 0.000 2.307 173 V HA -0.289 3.832 4.120 0.002 0.000 0.245 173 V C 2.305 178.484 176.094 0.142 0.000 1.045 173 V CA 2.090 64.416 62.300 0.043 0.000 1.024 173 V CB -0.996 30.858 31.823 0.052 0.000 0.651 173 V HN 0.575 nan 8.190 nan 0.000 0.449 174 F N 2.224 122.263 119.950 0.147 0.000 2.095 174 F HA -0.060 4.468 4.527 0.002 0.000 0.298 174 F C 2.191 178.146 175.800 0.258 0.000 1.104 174 F CA 1.799 59.942 58.000 0.238 0.000 1.232 174 F CB -0.953 38.268 39.000 0.368 0.000 0.987 174 F HN 0.125 nan 8.300 nan 0.000 0.475 175 G N -0.197 108.706 108.800 0.171 0.000 2.418 175 G HA2 -0.227 3.734 3.960 0.002 0.000 0.217 175 G HA3 -0.227 3.734 3.960 0.002 0.000 0.217 175 G C 1.836 176.614 174.900 -0.204 0.000 1.158 175 G CA 0.932 46.013 45.100 -0.031 0.000 0.771 175 G HN 0.663 nan 8.290 nan 0.000 0.545 176 A N 1.010 123.736 122.820 -0.157 0.000 1.883 176 A HA -0.068 4.253 4.320 0.002 0.000 0.217 176 A C 2.311 179.890 177.584 -0.007 0.000 1.186 176 A CA 2.099 54.051 52.037 -0.141 0.000 0.624 176 A CB -0.423 18.524 19.000 -0.089 0.000 0.822 176 A HN 0.388 nan 8.150 nan 0.000 0.444 177 K N -0.830 119.599 120.400 0.048 0.000 2.097 177 K HA -0.134 4.187 4.320 0.002 0.000 0.206 177 K C 2.318 178.969 176.600 0.086 0.000 1.049 177 K CA 1.309 57.725 56.287 0.216 0.000 0.933 177 K CB -0.117 32.548 32.500 0.275 0.000 0.717 177 K HN 0.403 nan 8.250 nan 0.000 0.442 178 Q N 0.200 119.871 119.800 -0.216 0.000 2.079 178 Q HA -0.069 4.272 4.340 0.002 0.000 0.200 178 Q C 2.246 178.118 176.000 -0.212 0.000 0.974 178 Q CA 1.536 57.131 55.803 -0.346 0.000 0.840 178 Q CB -0.336 28.112 28.738 -0.483 0.000 0.898 178 Q HN 0.327 nan 8.270 nan 0.000 0.430 179 A N 0.335 123.045 122.820 -0.183 0.000 1.908 179 A HA -0.197 4.124 4.320 0.002 0.000 0.218 179 A C 1.825 179.480 177.584 0.119 0.000 1.181 179 A CA 1.521 53.439 52.037 -0.199 0.000 0.627 179 A CB -0.968 17.633 19.000 -0.665 0.000 0.818 179 A HN 0.546 nan 8.150 nan 0.000 0.445 180 W N 0.893 122.216 121.300 0.038 0.000 2.379 180 W HA -0.109 4.552 4.660 0.002 0.000 0.307 180 W C 2.325 178.795 176.519 -0.081 0.000 1.200 180 W CA 1.469 58.849 57.345 0.058 0.000 1.297 180 W CB -0.693 28.799 29.460 0.053 0.000 1.140 180 W HN 0.374 nan 8.180 nan 0.000 0.507 181 R N 0.434 120.821 120.500 -0.188 0.000 2.127 181 R HA -0.168 4.173 4.340 0.002 0.000 0.238 181 R C 1.324 177.440 176.300 -0.307 0.000 1.134 181 R CA 1.810 57.572 56.100 -0.563 0.000 0.975 181 R CB -0.555 29.063 30.300 -1.138 0.000 0.865 181 R HN 0.129 nan 8.270 nan 0.000 0.447 182 N N 0.314 118.905 118.700 -0.183 0.000 2.336 182 N HA 0.033 4.774 4.740 0.002 0.000 0.189 182 N C -0.442 175.024 175.510 -0.072 0.000 1.113 182 N CA 0.484 53.457 53.050 -0.127 0.000 0.858 182 N CB 0.794 39.215 38.487 -0.111 0.000 0.970 182 N HN 0.138 nan 8.380 nan 0.000 0.471 183 A N 2.344 125.164 122.820 -0.000 0.000 2.541 183 A HA 0.231 4.552 4.320 0.002 0.000 0.293 183 A C -1.194 176.363 177.584 -0.047 0.000 1.307 183 A CA -0.943 51.091 52.037 -0.005 0.000 0.978 183 A CB 0.217 19.250 19.000 0.056 0.000 1.111 183 A HN -0.016 nan 8.150 nan 0.000 0.535 184 P HA -0.168 nan 4.420 nan 0.000 0.217 184 P C 1.106 178.345 177.300 -0.102 0.000 1.148 184 P CA 1.285 64.317 63.100 -0.113 0.000 0.828 184 P CB 0.133 31.728 31.700 -0.174 0.000 0.783 185 R N -2.310 118.090 120.500 -0.167 0.000 2.317 185 R HA 0.145 4.486 4.340 0.002 0.000 0.208 185 R C 0.270 176.570 176.300 -0.001 0.000 0.914 185 R CA -0.159 55.863 56.100 -0.131 0.000 1.060 185 R CB -0.466 29.546 30.300 -0.480 0.000 1.015 185 R HN 0.197 nan 8.270 nan 0.000 0.498 186 C N 0.383 119.674 119.300 -0.016 0.000 2.307 186 C HA 0.250 4.711 4.460 0.002 0.000 0.340 186 C C 1.734 176.697 174.990 -0.045 0.000 1.275 186 C CA -0.646 58.391 59.018 0.032 0.000 1.811 186 C CB 0.828 28.651 27.740 0.138 0.000 2.372 186 C HN 0.276 nan 8.230 nan 0.000 0.531 187 V N 5.828 125.676 119.914 -0.110 0.000 3.649 187 V HA 0.275 4.396 4.120 0.002 0.000 0.275 187 V C 1.620 177.767 176.094 0.089 0.000 1.281 187 V CA 1.684 63.834 62.300 -0.251 0.000 1.143 187 V CB 0.038 31.696 31.823 -0.276 0.000 0.892 187 V HN 1.073 nan 8.190 nan 0.000 0.441 188 G N -0.573 108.300 108.800 0.122 0.000 3.523 188 G HA2 0.096 4.057 3.960 0.002 0.000 0.270 188 G HA3 0.096 4.057 3.960 0.002 0.000 0.270 188 G C 1.151 176.132 174.900 0.135 0.000 1.134 188 G CA -0.359 44.825 45.100 0.139 0.000 0.825 188 G HN 0.400 nan 8.290 nan 0.000 0.534 189 R N -0.197 120.302 120.500 -0.002 0.000 2.328 189 R HA 0.125 4.466 4.340 0.002 0.000 0.207 189 R C 1.983 177.881 176.300 -0.669 0.000 1.056 189 R CA 0.180 55.984 56.100 -0.493 0.000 1.016 189 R CB -0.111 29.838 30.300 -0.585 0.000 0.872 189 R HN 0.459 nan 8.270 nan 0.000 0.471 190 I N 0.882 121.238 120.570 -0.356 0.000 2.700 190 I HA -0.242 3.929 4.170 0.002 0.000 0.261 190 I C 1.419 177.483 176.117 -0.089 0.000 1.219 190 I CA 1.210 62.466 61.300 -0.074 0.000 1.463 190 I CB 0.167 38.209 38.000 0.071 0.000 1.092 190 I HN 0.204 nan 8.210 nan 0.000 0.452 191 Q N 0.415 120.100 119.800 -0.191 0.000 2.424 191 Q HA -0.118 4.223 4.340 0.002 0.000 0.204 191 Q C 1.719 177.370 176.000 -0.582 0.000 0.933 191 Q CA 0.622 56.309 55.803 -0.194 0.000 0.929 191 Q CB -0.266 28.509 28.738 0.062 0.000 1.037 191 Q HN 0.797 nan 8.270 nan 0.000 0.511 192 W N 0.591 121.153 121.300 -1.230 0.000 2.279 192 W HA -0.213 4.448 4.660 0.002 0.000 0.298 192 W C 1.112 177.306 176.519 -0.541 0.000 1.228 192 W CA 1.300 57.756 57.345 -1.482 0.000 1.230 192 W CB -1.302 27.498 29.460 -1.100 0.000 1.138 192 W HN 0.079 nan 8.180 nan 0.000 0.532 193 G N 1.005 109.176 108.800 -1.049 0.000 2.712 193 G HA2 -0.148 3.813 3.960 0.002 0.000 0.212 193 G HA3 -0.148 3.813 3.960 0.002 0.000 0.212 193 G C 0.825 175.521 174.900 -0.340 0.000 1.142 193 G CA 0.023 44.574 45.100 -0.915 0.000 0.789 193 G HN 0.266 nan 8.290 nan 0.000 0.535 194 K N 0.373 120.675 120.400 -0.164 0.000 2.360 194 K HA 0.496 4.817 4.320 0.002 0.000 0.235 194 K C -1.535 175.170 176.600 0.175 0.000 1.077 194 K CA -0.685 55.610 56.287 0.013 0.000 1.035 194 K CB 0.257 32.788 32.500 0.051 0.000 1.623 194 K HN 0.065 nan 8.250 nan 0.000 0.462 195 L N 3.100 124.409 121.223 0.143 0.000 2.406 195 L HA 0.340 4.682 4.340 0.002 0.000 0.272 195 L C -1.129 175.737 176.870 -0.008 0.000 0.980 195 L CA -0.402 54.538 54.840 0.166 0.000 0.831 195 L CB 1.834 44.069 42.059 0.295 0.000 1.253 195 L HN 0.435 nan 8.230 nan 0.000 0.406 196 Q N 3.479 123.222 119.800 -0.095 0.000 2.307 196 Q HA 0.447 4.788 4.340 0.002 0.000 0.259 196 Q C -1.473 174.181 176.000 -0.577 0.000 0.998 196 Q CA 0.001 55.578 55.803 -0.377 0.000 0.923 196 Q CB 0.950 29.385 28.738 -0.504 0.000 1.196 196 Q HN 0.536 nan 8.270 nan 0.000 0.416 197 V N 6.368 125.959 119.914 -0.539 0.000 2.350 197 V HA 0.385 4.506 4.120 0.002 0.000 0.276 197 V C -0.642 175.103 176.094 -0.580 0.000 1.028 197 V CA -0.522 61.509 62.300 -0.447 0.000 0.860 197 V CB 0.214 31.900 31.823 -0.227 0.000 0.990 197 V HN 0.615 nan 8.190 nan 0.000 0.453 198 F N 2.611 122.444 119.950 -0.195 0.000 2.404 198 F HA 0.389 4.917 4.527 0.002 0.000 0.354 198 F C 0.471 176.108 175.800 -0.271 0.000 1.122 198 F CA -1.109 56.768 58.000 -0.206 0.000 1.080 198 F CB 1.105 39.993 39.000 -0.186 0.000 1.131 198 F HN 0.411 nan 8.300 nan 0.000 0.471 199 D N 3.102 123.462 120.400 -0.066 0.000 2.365 199 D HA 0.392 5.033 4.640 0.002 0.000 0.237 199 D C 0.136 176.253 176.300 -0.305 0.000 1.190 199 D CA 0.080 53.969 54.000 -0.184 0.000 0.867 199 D CB 1.122 41.858 40.800 -0.108 0.000 1.050 199 D HN 0.615 nan 8.370 nan 0.000 0.491 200 A N 4.525 126.984 122.820 -0.602 0.000 2.630 200 A HA 0.155 4.476 4.320 0.002 0.000 0.290 200 A C 1.558 178.827 177.584 -0.525 0.000 1.267 200 A CA -0.383 51.034 52.037 -1.034 0.000 0.950 200 A CB 0.017 17.845 19.000 -1.955 0.000 1.144 200 A HN 0.532 nan 8.150 nan 0.000 0.527 201 R N 0.988 121.318 120.500 -0.284 0.000 2.316 201 R HA -0.052 4.289 4.340 0.002 0.000 0.202 201 R C -0.064 176.194 176.300 -0.069 0.000 1.029 201 R CA 1.070 57.089 56.100 -0.136 0.000 1.018 201 R CB 0.045 30.318 30.300 -0.045 0.000 0.888 201 R HN 0.641 nan 8.270 nan 0.000 0.471 202 D N -0.330 120.045 120.400 -0.042 0.000 3.058 202 D HA 0.016 4.657 4.640 0.002 0.000 0.272 202 D C -0.666 175.706 176.300 0.120 0.000 1.350 202 D CA -0.364 53.665 54.000 0.048 0.000 0.863 202 D CB -0.308 40.535 40.800 0.071 0.000 1.064 202 D HN -0.052 nan 8.370 nan 0.000 0.488 203 C N 0.866 120.215 119.300 0.081 0.000 2.382 203 C HA 0.659 5.120 4.460 0.002 0.000 0.327 203 C C 0.955 176.089 174.990 0.239 0.000 1.250 203 C CA -0.178 58.956 59.018 0.194 0.000 1.707 203 C CB 0.953 28.813 27.740 0.200 0.000 2.272 203 C HN 0.517 nan 8.230 nan 0.000 0.506 204 S N 1.739 117.625 115.700 0.310 0.000 3.053 204 S HA 0.386 4.857 4.470 0.002 0.000 0.255 204 S C -0.347 174.413 174.600 0.267 0.000 0.976 204 S CA 0.109 58.518 58.200 0.348 0.000 1.159 204 S CB -0.384 62.948 63.200 0.221 0.000 1.110 204 S HN 1.454 nan 8.310 nan 0.000 0.633 205 S N -0.429 115.434 115.700 0.273 0.000 2.558 205 S HA 0.745 5.217 4.470 0.002 0.000 0.277 205 S C 0.819 175.500 174.600 0.135 0.000 1.143 205 S CA -0.355 57.942 58.200 0.162 0.000 0.865 205 S CB 0.806 64.085 63.200 0.131 0.000 1.102 205 S HN 0.789 nan 8.310 nan 0.000 0.454 206 A N 1.384 124.253 122.820 0.082 0.000 1.917 206 A HA -0.198 4.123 4.320 0.002 0.000 0.219 206 A C 2.114 179.615 177.584 -0.138 0.000 1.182 206 A CA 2.581 54.618 52.037 0.000 0.000 0.633 206 A CB -1.188 17.896 19.000 0.141 0.000 0.819 206 A HN 0.984 nan 8.150 nan 0.000 0.448 207 Q N -0.026 119.835 119.800 0.101 0.000 2.096 207 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 207 Q C 1.835 177.877 176.000 0.070 0.000 0.982 207 Q CA 2.356 58.239 55.803 0.134 0.000 0.850 207 Q CB -0.387 28.503 28.738 0.253 0.000 0.901 207 Q HN 0.763 nan 8.270 nan 0.000 0.422 208 E N -0.811 119.452 120.200 0.105 0.000 2.072 208 E HA -0.136 4.215 4.350 0.002 0.000 0.191 208 E C 2.022 178.763 176.600 0.236 0.000 0.985 208 E CA 1.215 57.704 56.400 0.149 0.000 0.801 208 E CB -0.100 29.733 29.700 0.220 0.000 0.750 208 E HN 0.441 nan 8.360 nan 0.000 0.452 209 M N -0.114 119.588 119.600 0.171 0.000 2.108 209 M HA -0.190 4.291 4.480 0.002 0.000 0.261 209 M C 2.168 178.540 176.300 0.121 0.000 1.066 209 M CA 1.491 56.860 55.300 0.116 0.000 1.107 209 M CB -0.355 32.065 32.600 -0.299 0.000 1.356 209 M HN 0.162 nan 8.290 nan 0.000 0.406 210 F N 0.822 120.586 119.950 -0.310 0.000 2.126 210 F HA -0.257 4.271 4.527 0.002 0.000 0.299 210 F C 2.236 177.956 175.800 -0.133 0.000 1.096 210 F CA 1.667 59.439 58.000 -0.379 0.000 1.255 210 F CB -0.076 38.419 39.000 -0.842 0.000 0.997 210 F HN 0.072 nan 8.300 nan 0.000 0.479 211 T N -0.613 113.826 114.554 -0.192 0.000 2.777 211 T HA -0.213 4.138 4.350 0.002 0.000 0.266 211 T C 1.525 176.072 174.700 -0.256 0.000 1.040 211 T CA 1.672 63.592 62.100 -0.300 0.000 1.141 211 T CB -0.710 68.015 68.868 -0.239 0.000 0.868 211 T HN 0.355 nan 8.240 nan 0.000 0.444 212 Y N 0.998 121.260 120.300 -0.064 0.000 2.145 212 Y HA -0.060 4.491 4.550 0.002 0.000 0.286 212 Y C 2.330 178.196 175.900 -0.056 0.000 1.145 212 Y CA 0.895 58.963 58.100 -0.053 0.000 1.148 212 Y CB -0.328 38.181 38.460 0.081 0.000 0.981 212 Y HN 0.139 nan 8.280 nan 0.000 0.507 213 I N -1.428 119.255 120.570 0.188 0.000 2.226 213 I HA -0.371 3.800 4.170 0.002 0.000 0.245 213 I C 2.262 178.345 176.117 -0.056 0.000 1.100 213 I CA 0.970 62.318 61.300 0.081 0.000 1.374 213 I CB -0.486 37.554 38.000 0.067 0.000 1.057 213 I HN 0.344 nan 8.210 nan 0.000 0.413 214 C N 0.621 119.774 119.300 -0.245 0.000 2.435 214 C HA -0.103 4.358 4.460 0.002 0.000 0.279 214 C C 2.597 177.495 174.990 -0.153 0.000 1.321 214 C CA 0.710 59.562 59.018 -0.277 0.000 1.752 214 C CB -1.356 26.083 27.740 -0.501 0.000 1.959 214 C HN 0.541 nan 8.230 nan 0.000 0.500 215 N N -0.122 118.478 118.700 -0.167 0.000 2.171 215 N HA -0.110 4.631 4.740 0.002 0.000 0.184 215 N C 1.455 176.880 175.510 -0.141 0.000 1.021 215 N CA 1.233 54.172 53.050 -0.185 0.000 0.854 215 N CB -0.710 37.596 38.487 -0.302 0.000 0.994 215 N HN 0.729 nan 8.380 nan 0.000 0.426 216 H N 1.126 120.066 119.070 -0.218 0.000 2.289 216 H HA -0.017 4.540 4.556 0.002 0.000 0.296 216 H C 2.199 177.566 175.328 0.064 0.000 1.091 216 H CA 1.874 57.869 56.048 -0.089 0.000 1.274 216 H CB -0.106 29.657 29.762 0.001 0.000 1.364 216 H HN 0.078 nan 8.280 nan 0.000 0.490 217 I N 0.644 121.373 120.570 0.265 0.000 2.127 217 I HA -0.316 3.856 4.170 0.002 0.000 0.241 217 I C 2.482 178.675 176.117 0.127 0.000 1.075 217 I CA 1.681 63.095 61.300 0.190 0.000 1.334 217 I CB -0.339 37.705 38.000 0.073 0.000 1.040 217 I HN 0.353 nan 8.210 nan 0.000 0.405 218 K N -0.111 120.329 120.400 0.066 0.000 2.032 218 K HA -0.266 4.055 4.320 0.002 0.000 0.209 218 K C 2.237 178.880 176.600 0.072 0.000 1.048 218 K CA 2.033 58.347 56.287 0.044 0.000 0.927 218 K CB -0.494 32.011 32.500 0.009 0.000 0.712 218 K HN 0.295 nan 8.250 nan 0.000 0.441 219 Y N 1.305 121.604 120.300 -0.002 0.000 2.133 219 Y HA -0.197 4.354 4.550 0.002 0.000 0.287 219 Y C 2.275 178.219 175.900 0.074 0.000 1.134 219 Y CA 1.418 59.545 58.100 0.044 0.000 1.133 219 Y CB -0.425 38.088 38.460 0.088 0.000 0.987 219 Y HN 0.046 nan 8.280 nan 0.000 0.502 220 A N -0.537 122.449 122.820 0.278 0.000 1.902 220 A HA -0.187 4.134 4.320 0.002 0.000 0.217 220 A C 2.189 179.840 177.584 0.111 0.000 1.181 220 A CA 2.388 54.554 52.037 0.214 0.000 0.623 220 A CB -1.339 17.820 19.000 0.266 0.000 0.818 220 A HN 0.539 nan 8.150 nan 0.000 0.443 221 T N -0.442 114.171 114.554 0.099 0.000 2.737 221 T HA -0.107 4.244 4.350 0.002 0.000 0.265 221 T C 1.039 175.747 174.700 0.013 0.000 1.038 221 T CA 0.905 63.052 62.100 0.078 0.000 1.144 221 T CB -0.560 68.354 68.868 0.077 0.000 0.866 221 T HN 0.730 nan 8.240 nan 0.000 0.434 222 N N 0.980 119.653 118.700 -0.044 0.000 2.707 222 N HA -0.292 4.449 4.740 0.002 0.000 0.253 222 N C -0.770 174.709 175.510 -0.052 0.000 0.998 222 N CA -0.024 52.973 53.050 -0.089 0.000 0.751 222 N CB -0.317 38.070 38.487 -0.166 0.000 0.920 222 N HN 0.201 nan 8.380 nan 0.000 0.539 223 R N -2.373 118.110 120.500 -0.028 0.000 3.651 223 R HA -0.201 4.140 4.340 0.002 0.000 0.292 223 R C 1.226 177.511 176.300 -0.026 0.000 1.161 223 R CA 1.476 57.561 56.100 -0.025 0.000 0.787 223 R CB -2.451 27.830 30.300 -0.032 0.000 1.249 223 R HN 1.009 nan 8.270 nan 0.000 0.476 224 G N -0.206 108.588 108.800 -0.011 0.000 2.217 224 G HA2 -0.357 3.604 3.960 0.002 0.000 0.246 224 G HA3 -0.357 3.604 3.960 0.002 0.000 0.246 224 G C 0.070 174.962 174.900 -0.014 0.000 0.990 224 G CA 0.289 45.384 45.100 -0.008 0.000 0.627 224 G HN 0.505 nan 8.290 nan 0.000 0.522 225 N N 1.030 119.710 118.700 -0.033 0.000 3.234 225 N HA 0.438 5.179 4.740 0.002 0.000 0.272 225 N C 0.391 175.875 175.510 -0.042 0.000 1.254 225 N CA -0.834 52.178 53.050 -0.062 0.000 1.087 225 N CB -0.085 38.359 38.487 -0.070 0.000 1.356 225 N HN 0.117 nan 8.380 nan 0.000 0.511 226 L N 1.954 123.182 121.223 0.007 0.000 2.554 226 L HA -0.009 4.332 4.340 0.002 0.000 0.293 226 L C 0.680 177.665 176.870 0.191 0.000 1.252 226 L CA 1.172 56.088 54.840 0.128 0.000 0.862 226 L CB 0.015 42.240 42.059 0.277 0.000 1.113 226 L HN 0.395 nan 8.230 nan 0.000 0.510 227 R N 0.905 121.544 120.500 0.231 0.000 2.538 227 R HA 0.392 4.733 4.340 0.002 0.000 0.292 227 R C -0.774 175.713 176.300 0.310 0.000 1.008 227 R CA -0.652 55.610 56.100 0.270 0.000 0.896 227 R CB 1.664 31.998 30.300 0.058 0.000 1.187 227 R HN 0.573 nan 8.270 nan 0.000 0.440 228 S N 1.732 117.609 115.700 0.295 0.000 2.525 228 S HA 0.377 4.848 4.470 0.002 0.000 0.285 228 S C -0.208 174.451 174.600 0.099 0.000 1.283 228 S CA -0.196 58.071 58.200 0.112 0.000 1.072 228 S CB 0.955 64.172 63.200 0.028 0.000 0.867 228 S HN 0.668 nan 8.310 nan 0.000 0.492 229 A N 3.358 126.205 122.820 0.045 0.000 2.572 229 A HA 0.853 5.174 4.320 0.002 0.000 0.295 229 A C -1.053 176.586 177.584 0.092 0.000 1.072 229 A CA -0.700 51.303 52.037 -0.055 0.000 0.691 229 A CB 1.294 20.191 19.000 -0.171 0.000 1.291 229 A HN 0.803 nan 8.150 nan 0.000 0.404 230 I N 0.479 121.095 120.570 0.077 0.000 2.722 230 I HA 0.640 4.811 4.170 0.002 0.000 0.295 230 I C -1.161 175.088 176.117 0.220 0.000 1.161 230 I CA -0.150 61.314 61.300 0.275 0.000 1.032 230 I CB 2.443 40.553 38.000 0.183 0.000 1.244 230 I HN 0.606 nan 8.210 nan 0.000 0.421 231 T N 6.126 120.837 114.554 0.261 0.000 2.812 231 T HA 0.480 4.831 4.350 0.002 0.000 0.282 231 T C -0.846 173.695 174.700 -0.266 0.000 0.990 231 T CA -0.370 61.738 62.100 0.013 0.000 0.960 231 T CB 1.679 70.546 68.868 -0.001 0.000 0.948 231 T HN 0.258 nan 8.240 nan 0.000 0.438 232 V N 4.790 124.454 119.914 -0.417 0.000 2.370 232 V HA 0.518 4.639 4.120 0.002 0.000 0.283 232 V C -0.545 175.229 176.094 -0.534 0.000 1.023 232 V CA -0.792 61.266 62.300 -0.403 0.000 0.857 232 V CB 0.438 31.991 31.823 -0.450 0.000 0.985 232 V HN 0.728 nan 8.190 nan 0.000 0.443 233 F N 4.841 124.700 119.950 -0.153 0.000 2.375 233 F HA 0.527 5.055 4.527 0.002 0.000 0.317 233 F C -1.851 173.837 175.800 -0.188 0.000 1.124 233 F CA -2.508 55.339 58.000 -0.255 0.000 1.050 233 F CB 0.374 39.229 39.000 -0.242 0.000 1.314 233 F HN 0.298 nan 8.300 nan 0.000 0.511 234 P HA -0.063 nan 4.420 nan 0.000 0.261 234 P C -0.944 176.358 177.300 0.003 0.000 1.165 234 P CA 0.111 63.084 63.100 -0.212 0.000 0.759 234 P CB 0.096 31.407 31.700 -0.649 0.000 0.772 235 Q N 3.761 123.562 119.800 0.002 0.000 2.524 235 Q HA 0.111 4.452 4.340 0.002 0.000 0.246 235 Q C -0.206 175.701 176.000 -0.155 0.000 1.063 235 Q CA -0.238 55.346 55.803 -0.365 0.000 0.945 235 Q CB 0.529 28.803 28.738 -0.774 0.000 1.292 235 Q HN 0.349 nan 8.270 nan 0.000 0.518 236 R N -0.048 120.326 120.500 -0.210 0.000 2.594 236 R HA 0.484 4.825 4.340 0.002 0.000 0.272 236 R C -0.740 175.506 176.300 -0.090 0.000 1.074 236 R CA 0.193 56.247 56.100 -0.076 0.000 1.105 236 R CB 0.779 31.025 30.300 -0.089 0.000 1.008 236 R HN 0.715 nan 8.270 nan 0.000 0.472 237 A N 3.626 126.434 122.820 -0.021 0.000 2.393 237 A HA 0.504 4.825 4.320 0.002 0.000 0.306 237 A C -2.480 175.098 177.584 -0.010 0.000 1.050 237 A CA -1.951 50.075 52.037 -0.018 0.000 0.724 237 A CB 1.322 20.339 19.000 0.028 0.000 1.248 237 A HN 0.420 nan 8.150 nan 0.000 0.424 238 P HA 0.277 nan 4.420 nan 0.000 0.262 238 P C 1.249 178.551 177.300 0.003 0.000 1.182 238 P CA 2.114 65.210 63.100 -0.007 0.000 0.761 238 P CB 0.693 32.389 31.700 -0.006 0.000 0.795 239 G N 2.471 111.273 108.800 0.003 0.000 2.708 239 G HA2 -0.315 3.646 3.960 0.002 0.000 0.229 239 G HA3 -0.315 3.646 3.960 0.002 0.000 0.229 239 G C 0.558 175.462 174.900 0.007 0.000 1.236 239 G CA 0.063 45.167 45.100 0.006 0.000 0.749 239 G HN 0.749 nan 8.290 nan 0.000 0.515 240 R N 2.107 122.612 120.500 0.009 0.000 2.641 240 R HA 0.482 4.823 4.340 0.002 0.000 0.269 240 R C 1.132 177.433 176.300 0.002 0.000 1.074 240 R CA 0.410 56.514 56.100 0.006 0.000 1.133 240 R CB 0.105 30.416 30.300 0.019 0.000 1.029 240 R HN 0.495 nan 8.270 nan 0.000 0.488 241 G N 1.770 110.562 108.800 -0.014 0.000 2.606 241 G HA2 0.056 4.017 3.960 0.002 0.000 0.252 241 G HA3 0.056 4.017 3.960 0.002 0.000 0.252 241 G C -0.730 174.163 174.900 -0.013 0.000 1.206 241 G CA -0.557 44.536 45.100 -0.012 0.000 0.861 241 G HN 0.628 nan 8.290 nan 0.000 0.561 242 D N -0.463 119.950 120.400 0.022 0.000 2.313 242 D HA 0.272 4.913 4.640 0.002 0.000 0.247 242 D C -0.238 176.105 176.300 0.072 0.000 1.094 242 D CA 0.139 54.186 54.000 0.079 0.000 0.925 242 D CB 1.047 41.900 40.800 0.088 0.000 1.188 242 D HN 0.085 nan 8.370 nan 0.000 0.430 243 F N 1.636 121.614 119.950 0.046 0.000 2.427 243 F HA 0.282 4.810 4.527 0.002 0.000 0.352 243 F C 1.085 176.910 175.800 0.041 0.000 1.100 243 F CA 0.137 58.151 58.000 0.023 0.000 1.191 243 F CB 0.622 39.630 39.000 0.012 0.000 1.128 243 F HN -0.163 nan 8.300 nan 0.000 0.533 244 R N 3.802 124.427 120.500 0.208 0.000 2.740 244 R HA 0.519 4.860 4.340 0.002 0.000 0.273 244 R C -1.327 175.106 176.300 0.222 0.000 0.998 244 R CA -0.870 55.365 56.100 0.225 0.000 0.900 244 R CB 2.192 32.672 30.300 0.300 0.000 1.223 244 R HN 0.607 nan 8.270 nan 0.000 0.466 245 I N 1.652 122.344 120.570 0.203 0.000 2.330 245 I HA 0.174 4.345 4.170 0.002 0.000 0.289 245 I C 0.413 176.728 176.117 0.330 0.000 1.001 245 I CA -0.430 60.977 61.300 0.179 0.000 1.193 245 I CB 1.260 39.307 38.000 0.078 0.000 1.345 245 I HN 0.528 nan 8.210 nan 0.000 0.461 246 W N 3.642 124.970 121.300 0.047 0.000 2.519 246 W HA -0.051 4.611 4.660 0.002 0.000 0.266 246 W C 0.845 177.447 176.519 0.139 0.000 1.253 246 W CA -0.018 57.415 57.345 0.145 0.000 1.274 246 W CB -0.766 28.743 29.460 0.081 0.000 1.114 246 W HN 0.414 nan 8.180 nan 0.000 0.596 247 N N -0.309 118.528 118.700 0.228 0.000 2.503 247 N HA 0.042 4.783 4.740 0.002 0.000 0.267 247 N C 1.315 176.877 175.510 0.088 0.000 1.214 247 N CA 0.725 53.841 53.050 0.110 0.000 0.959 247 N CB 0.834 39.329 38.487 0.013 0.000 1.142 247 N HN -0.151 nan 8.380 nan 0.000 0.455 248 S N 0.436 116.179 115.700 0.072 0.000 2.406 248 S HA -0.047 4.424 4.470 0.002 0.000 0.228 248 S C 0.313 174.909 174.600 -0.007 0.000 1.020 248 S CA 0.727 58.959 58.200 0.053 0.000 0.965 248 S CB -0.036 63.211 63.200 0.079 0.000 0.798 248 S HN 0.642 nan 8.310 nan 0.000 0.488 249 Q N -0.761 119.022 119.800 -0.029 0.000 2.456 249 Q HA 0.516 4.857 4.340 0.002 0.000 0.283 249 Q C 0.205 176.132 176.000 -0.121 0.000 1.084 249 Q CA -0.588 55.163 55.803 -0.087 0.000 0.801 249 Q CB 1.859 30.577 28.738 -0.032 0.000 1.434 249 Q HN 0.082 nan 8.270 nan 0.000 0.419 250 L N 0.085 121.215 121.223 -0.156 0.000 2.141 250 L HA 0.018 4.359 4.340 0.002 0.000 0.209 250 L C 0.326 177.069 176.870 -0.210 0.000 1.094 250 L CA 0.836 55.586 54.840 -0.151 0.000 0.763 250 L CB 0.190 42.158 42.059 -0.151 0.000 0.908 250 L HN 0.269 nan 8.230 nan 0.000 0.437 251 V N 0.444 120.158 119.914 -0.335 0.000 2.487 251 V HA 0.526 4.647 4.120 0.002 0.000 0.298 251 V C -0.274 175.288 176.094 -0.886 0.000 1.028 251 V CA -0.729 61.190 62.300 -0.636 0.000 0.860 251 V CB 1.869 33.196 31.823 -0.827 0.000 0.991 251 V HN 0.175 nan 8.190 nan 0.000 0.427 252 R N 2.518 122.570 120.500 -0.746 0.000 2.692 252 R HA 0.497 4.838 4.340 0.002 0.000 0.269 252 R C -2.002 174.060 176.300 -0.397 0.000 1.030 252 R CA -0.843 54.957 56.100 -0.499 0.000 0.882 252 R CB 2.295 32.491 30.300 -0.174 0.000 1.250 252 R HN 0.570 nan 8.270 nan 0.000 0.465 253 Y N 0.223 120.499 120.300 -0.040 0.000 2.361 253 Y HA 0.514 5.065 4.550 0.002 0.000 0.332 253 Y C 0.870 176.724 175.900 -0.078 0.000 1.101 253 Y CA -0.679 57.409 58.100 -0.020 0.000 1.137 253 Y CB 1.397 39.904 38.460 0.078 0.000 1.207 253 Y HN 0.736 nan 8.280 nan 0.000 0.463 254 A N 1.332 124.172 122.820 0.033 0.000 2.386 254 A HA 0.578 4.899 4.320 0.002 0.000 0.246 254 A C 0.507 177.855 177.584 -0.393 0.000 1.089 254 A CA 0.307 52.200 52.037 -0.240 0.000 0.790 254 A CB -0.271 18.504 19.000 -0.375 0.000 1.042 254 A HN 0.958 nan 8.150 nan 0.000 0.497 255 G N 0.001 108.533 108.800 -0.447 0.000 2.760 255 G HA2 0.540 4.501 3.960 0.002 0.000 0.285 255 G HA3 0.540 4.501 3.960 0.002 0.000 0.285 255 G C -1.166 173.563 174.900 -0.285 0.000 1.496 255 G CA -0.260 44.643 45.100 -0.328 0.000 1.026 255 G HN 0.545 nan 8.290 nan 0.000 0.536 256 Y N 2.334 122.645 120.300 0.018 0.000 2.434 256 Y HA 0.397 4.948 4.550 0.002 0.000 0.341 256 Y C 1.194 177.094 175.900 0.001 0.000 0.965 256 Y CA -1.093 57.020 58.100 0.022 0.000 1.205 256 Y CB 1.133 39.604 38.460 0.019 0.000 1.121 256 Y HN 0.224 nan 8.280 nan 0.000 0.507 257 R N 3.829 124.413 120.500 0.140 0.000 2.484 257 R HA 0.064 4.405 4.340 0.002 0.000 0.293 257 R C -0.228 176.116 176.300 0.074 0.000 1.023 257 R CA 0.287 56.435 56.100 0.079 0.000 1.037 257 R CB 0.508 30.843 30.300 0.058 0.000 0.951 257 R HN 0.760 nan 8.270 nan 0.000 0.418 258 Q N 1.421 121.251 119.800 0.049 0.000 2.385 258 Q HA 0.051 4.392 4.340 0.002 0.000 0.262 258 Q C 1.185 177.194 176.000 0.016 0.000 1.050 258 Q CA -0.927 54.894 55.803 0.029 0.000 0.903 258 Q CB 1.009 29.761 28.738 0.024 0.000 1.325 258 Q HN 0.531 nan 8.270 nan 0.000 0.485 259 Q N 1.414 121.217 119.800 0.006 0.000 2.066 259 Q HA -0.274 4.067 4.340 0.002 0.000 0.216 259 Q C 0.377 176.380 176.000 0.005 0.000 1.035 259 Q CA 2.437 58.241 55.803 0.002 0.000 0.897 259 Q CB -1.197 27.540 28.738 -0.003 0.000 1.010 259 Q HN 0.881 nan 8.270 nan 0.000 0.416 260 D N -0.243 120.160 120.400 0.005 0.000 3.038 260 D HA 0.241 4.882 4.640 0.002 0.000 0.243 260 D C 0.914 177.219 176.300 0.009 0.000 1.245 260 D CA 0.393 54.396 54.000 0.006 0.000 0.871 260 D CB -0.425 40.377 40.800 0.004 0.000 1.089 260 D HN 0.619 nan 8.370 nan 0.000 0.464 261 G N 1.180 109.987 108.800 0.012 0.000 2.249 261 G HA2 -0.402 3.559 3.960 0.002 0.000 0.269 261 G HA3 -0.402 3.559 3.960 0.002 0.000 0.269 261 G C 0.668 175.577 174.900 0.015 0.000 0.979 261 G CA 1.010 46.119 45.100 0.015 0.000 0.644 261 G HN 0.748 nan 8.290 nan 0.000 0.546 262 S N -1.285 114.422 115.700 0.012 0.000 2.617 262 S HA 0.647 5.118 4.470 0.002 0.000 0.255 262 S C 0.049 174.654 174.600 0.008 0.000 1.318 262 S CA 0.043 58.247 58.200 0.007 0.000 0.978 262 S CB 2.221 65.424 63.200 0.005 0.000 0.961 262 S HN 1.068 nan 8.310 nan 0.000 0.582 263 V N 0.789 120.697 119.914 -0.009 0.000 2.709 263 V HA 0.535 4.656 4.120 0.002 0.000 0.308 263 V C -0.212 175.857 176.094 -0.041 0.000 1.062 263 V CA -0.809 61.480 62.300 -0.018 0.000 0.901 263 V CB 1.777 33.571 31.823 -0.049 0.000 1.003 263 V HN 0.935 nan 8.190 nan 0.000 0.425 264 R N 2.608 123.112 120.500 0.008 0.000 2.215 264 R HA 0.667 5.008 4.340 0.002 0.000 0.336 264 R C 0.469 176.728 176.300 -0.068 0.000 0.996 264 R CA 0.894 57.003 56.100 0.016 0.000 0.847 264 R CB 0.799 31.185 30.300 0.144 0.000 1.127 264 R HN 1.217 nan 8.270 nan 0.000 0.465 265 G N 2.812 111.457 108.800 -0.259 0.000 2.408 265 G HA2 -0.226 3.735 3.960 0.002 0.000 0.204 265 G HA3 -0.226 3.735 3.960 0.002 0.000 0.204 265 G C -1.463 173.026 174.900 -0.684 0.000 1.186 265 G CA -0.266 44.589 45.100 -0.409 0.000 1.139 265 G HN 0.575 nan 8.290 nan 0.000 0.563 266 D N 1.631 121.795 120.400 -0.394 0.000 2.396 266 D HA 0.576 5.218 4.640 0.002 0.000 0.225 266 D C -1.047 175.170 176.300 -0.138 0.000 1.121 266 D CA -2.053 51.783 54.000 -0.273 0.000 0.853 266 D CB 1.459 42.413 40.800 0.258 0.000 1.043 266 D HN -0.018 nan 8.370 nan 0.000 0.500 267 P HA -0.139 nan 4.420 nan 0.000 0.220 267 P C 0.791 178.102 177.300 0.018 0.000 1.144 267 P CA 1.061 64.127 63.100 -0.058 0.000 0.800 267 P CB 0.293 31.967 31.700 -0.044 0.000 0.772 268 A N -1.041 121.811 122.820 0.054 0.000 2.119 268 A HA -0.049 4.272 4.320 0.002 0.000 0.216 268 A C 1.447 179.081 177.584 0.085 0.000 1.152 268 A CA 0.999 53.094 52.037 0.096 0.000 0.708 268 A CB -0.638 18.440 19.000 0.130 0.000 0.805 268 A HN 0.146 nan 8.150 nan 0.000 0.460 269 N N -0.123 118.609 118.700 0.054 0.000 2.328 269 N HA 0.164 4.905 4.740 0.002 0.000 0.247 269 N C 0.938 176.439 175.510 -0.014 0.000 1.165 269 N CA 0.106 53.172 53.050 0.028 0.000 0.873 269 N CB 0.907 39.408 38.487 0.022 0.000 1.125 269 N HN 0.185 nan 8.380 nan 0.000 0.513 270 V N 0.790 120.704 119.914 -0.002 0.000 2.270 270 V HA -0.206 3.915 4.120 0.002 0.000 0.245 270 V C 2.442 178.539 176.094 0.004 0.000 1.043 270 V CA 1.687 63.983 62.300 -0.005 0.000 1.014 270 V CB -0.270 31.561 31.823 0.014 0.000 0.645 270 V HN 0.373 nan 8.190 nan 0.000 0.447 271 E N -0.175 120.035 120.200 0.017 0.000 2.038 271 E HA -0.281 4.070 4.350 0.002 0.000 0.195 271 E C 2.135 178.676 176.600 -0.097 0.000 1.000 271 E CA 1.914 58.309 56.400 -0.009 0.000 0.803 271 E CB -0.195 29.543 29.700 0.063 0.000 0.750 271 E HN 0.471 nan 8.360 nan 0.000 0.448 272 I N 0.705 121.224 120.570 -0.086 0.000 2.493 272 I HA -0.178 3.993 4.170 0.002 0.000 0.254 272 I C 1.969 178.028 176.117 -0.096 0.000 1.160 272 I CA 1.477 62.693 61.300 -0.141 0.000 1.445 272 I CB -0.264 37.700 38.000 -0.060 0.000 1.086 272 I HN 0.068 nan 8.210 nan 0.000 0.433 273 T N 0.275 114.796 114.554 -0.054 0.000 2.951 273 T HA -0.099 4.252 4.350 0.002 0.000 0.268 273 T C 1.682 176.451 174.700 0.115 0.000 1.073 273 T CA 1.431 63.530 62.100 -0.001 0.000 1.134 273 T CB -0.177 68.677 68.868 -0.024 0.000 0.884 273 T HN 0.487 nan 8.240 nan 0.000 0.479 274 E N 0.638 120.875 120.200 0.062 0.000 2.170 274 E HA 0.101 4.452 4.350 0.002 0.000 0.191 274 E C 2.130 178.766 176.600 0.060 0.000 0.981 274 E CA 0.402 56.852 56.400 0.083 0.000 0.830 274 E CB -0.121 29.605 29.700 0.045 0.000 0.775 274 E HN 0.402 nan 8.360 nan 0.000 0.470 275 L N 0.553 121.770 121.223 -0.009 0.000 2.083 275 L HA -0.216 4.125 4.340 0.002 0.000 0.209 275 L C 2.533 179.497 176.870 0.157 0.000 1.083 275 L CA 0.784 55.644 54.840 0.034 0.000 0.752 275 L CB -0.398 41.594 42.059 -0.112 0.000 0.899 275 L HN 0.303 nan 8.230 nan 0.000 0.433 276 C N -0.035 119.315 119.300 0.082 0.000 2.436 276 C HA -0.157 4.304 4.460 0.002 0.000 0.277 276 C C 2.699 177.844 174.990 0.259 0.000 1.241 276 C CA 0.398 59.474 59.018 0.097 0.000 1.721 276 C CB -0.646 27.043 27.740 -0.084 0.000 2.043 276 C HN 0.418 nan 8.230 nan 0.000 0.472 277 I N 0.960 121.724 120.570 0.324 0.000 2.151 277 I HA -0.332 3.839 4.170 0.002 0.000 0.243 277 I C 2.815 179.008 176.117 0.126 0.000 1.080 277 I CA 2.127 63.588 61.300 0.267 0.000 1.339 277 I CB -0.788 37.343 38.000 0.218 0.000 1.039 277 I HN 0.524 nan 8.210 nan 0.000 0.409 278 Q N 0.386 120.233 119.800 0.079 0.000 2.297 278 Q HA -0.230 4.111 4.340 0.002 0.000 0.208 278 Q C 1.527 177.441 176.000 -0.144 0.000 0.981 278 Q CA 1.475 57.255 55.803 -0.038 0.000 0.876 278 Q CB -0.063 28.635 28.738 -0.067 0.000 0.921 278 Q HN 0.605 nan 8.270 nan 0.000 0.446 279 H N -1.655 117.410 119.070 -0.008 0.000 2.517 279 H HA 0.211 4.768 4.556 0.002 0.000 0.282 279 H C 0.649 175.960 175.328 -0.029 0.000 1.023 279 H CA 0.692 56.711 56.048 -0.049 0.000 1.169 279 H CB 1.169 30.863 29.762 -0.113 0.000 1.454 279 H HN 0.545 nan 8.280 nan 0.000 0.556 280 G N 0.734 109.585 108.800 0.084 0.000 2.168 280 G HA2 -0.224 3.737 3.960 0.002 0.000 0.197 280 G HA3 -0.224 3.737 3.960 0.002 0.000 0.197 280 G C -0.147 174.826 174.900 0.122 0.000 0.997 280 G CA -0.105 45.032 45.100 0.061 0.000 0.658 280 G HN 0.352 nan 8.290 nan 0.000 0.513 281 W N 2.408 123.695 121.300 -0.023 0.000 2.218 281 W HA 0.629 5.290 4.660 0.002 0.000 0.326 281 W C 0.289 176.803 176.519 -0.008 0.000 1.276 281 W CA 0.347 57.681 57.345 -0.019 0.000 1.210 281 W CB 0.877 30.337 29.460 -0.000 0.000 1.143 281 W HN 0.034 nan 8.180 nan 0.000 0.563 282 T N 9.393 123.583 114.554 -0.607 0.000 2.863 282 T HA 0.168 4.519 4.350 0.002 0.000 0.299 282 T C -2.090 171.821 174.700 -1.315 0.000 0.973 282 T CA -0.903 60.797 62.100 -0.667 0.000 0.994 282 T CB 0.075 68.709 68.868 -0.391 0.000 0.961 282 T HN 0.222 nan 8.240 nan 0.000 0.552 283 P HA 0.223 nan 4.420 nan 0.000 0.269 283 P C 0.529 177.387 177.300 -0.736 0.000 1.215 283 P CA -0.166 62.167 63.100 -1.278 0.000 0.780 283 P CB 0.896 32.293 31.700 -0.505 0.000 0.898 284 G N 1.330 109.862 108.800 -0.446 0.000 2.630 284 G HA2 0.249 4.210 3.960 0.002 0.000 0.223 284 G HA3 0.249 4.210 3.960 0.002 0.000 0.223 284 G C 0.371 175.004 174.900 -0.444 0.000 1.434 284 G CA -0.465 44.500 45.100 -0.225 0.000 1.057 284 G HN 0.727 nan 8.290 nan 0.000 0.570 285 N N -0.767 117.813 118.700 -0.200 0.000 2.261 285 N HA 0.157 4.898 4.740 0.002 0.000 0.241 285 N C 0.335 175.866 175.510 0.035 0.000 1.374 285 N CA 0.078 52.985 53.050 -0.239 0.000 0.802 285 N CB 0.425 38.788 38.487 -0.206 0.000 1.339 285 N HN 0.662 nan 8.380 nan 0.000 0.498 286 G N 0.599 109.516 108.800 0.194 0.000 2.552 286 G HA2 0.391 4.352 3.960 0.002 0.000 0.318 286 G HA3 0.391 4.352 3.960 0.002 0.000 0.318 286 G C 0.568 175.572 174.900 0.173 0.000 1.240 286 G CA -0.641 44.568 45.100 0.181 0.000 1.002 286 G HN 0.098 nan 8.290 nan 0.000 0.493 287 R N -1.264 119.273 120.500 0.063 0.000 2.210 287 R HA 0.115 4.456 4.340 0.002 0.000 0.203 287 R C -0.163 175.754 176.300 -0.638 0.000 1.010 287 R CA 0.734 56.684 56.100 -0.251 0.000 1.008 287 R CB 0.129 30.242 30.300 -0.312 0.000 0.923 287 R HN 0.373 nan 8.270 nan 0.000 0.469 288 F N 1.078 120.966 119.950 -0.103 0.000 2.597 288 F HA 0.269 4.797 4.527 0.002 0.000 0.336 288 F C -0.709 175.002 175.800 -0.149 0.000 1.432 288 F CA -1.191 56.478 58.000 -0.552 0.000 1.120 288 F CB 0.593 39.016 39.000 -0.961 0.000 1.253 288 F HN -0.284 nan 8.300 nan 0.000 0.546 289 D N 1.739 122.277 120.400 0.229 0.000 2.316 289 D HA 0.179 4.820 4.640 0.002 0.000 0.245 289 D C 0.198 176.738 176.300 0.400 0.000 1.171 289 D CA 0.069 54.281 54.000 0.354 0.000 0.856 289 D CB 2.339 43.417 40.800 0.464 0.000 1.090 289 D HN -0.023 nan 8.370 nan 0.000 0.476 290 V N 4.044 124.179 119.914 0.369 0.000 2.485 290 V HA -0.026 4.095 4.120 0.002 0.000 0.287 290 V C 1.079 177.187 176.094 0.024 0.000 1.022 290 V CA -0.154 62.247 62.300 0.169 0.000 1.067 290 V CB 0.127 32.003 31.823 0.088 0.000 0.967 290 V HN 0.341 nan 8.190 nan 0.000 0.479 291 L N 8.341 129.473 121.223 -0.152 0.000 2.473 291 L HA 0.321 4.662 4.340 0.002 0.000 0.268 291 L C -1.720 174.905 176.870 -0.409 0.000 1.215 291 L CA -1.218 53.376 54.840 -0.411 0.000 0.823 291 L CB 0.598 42.432 42.059 -0.376 0.000 1.099 291 L HN 0.489 nan 8.230 nan 0.000 0.483 292 P HA 0.295 nan 4.420 nan 0.000 0.285 292 P C -1.234 175.895 177.300 -0.285 0.000 1.269 292 P CA -0.607 62.242 63.100 -0.418 0.000 0.844 292 P CB 1.218 32.550 31.700 -0.614 0.000 1.094 293 L N 1.886 123.031 121.223 -0.129 0.000 2.326 293 L HA 0.363 4.704 4.340 0.002 0.000 0.278 293 L C 0.551 177.387 176.870 -0.057 0.000 1.092 293 L CA -0.644 54.160 54.840 -0.062 0.000 0.810 293 L CB 0.336 42.413 42.059 0.031 0.000 1.153 293 L HN 0.205 nan 8.230 nan 0.000 0.439 294 L N 5.392 126.568 121.223 -0.077 0.000 2.283 294 L HA 0.436 4.777 4.340 0.002 0.000 0.281 294 L C -0.498 176.273 176.870 -0.166 0.000 1.033 294 L CA -0.263 54.463 54.840 -0.191 0.000 0.848 294 L CB 0.798 42.671 42.059 -0.309 0.000 1.226 294 L HN 0.461 nan 8.230 nan 0.000 0.429 295 L N 3.943 125.101 121.223 -0.109 0.000 2.309 295 L HA 0.487 4.828 4.340 0.002 0.000 0.282 295 L C -0.156 176.614 176.870 -0.168 0.000 1.036 295 L CA -0.363 54.408 54.840 -0.115 0.000 0.806 295 L CB 1.642 43.602 42.059 -0.164 0.000 1.220 295 L HN 0.578 nan 8.230 nan 0.000 0.429 296 Q N 2.622 122.344 119.800 -0.129 0.000 2.325 296 Q HA 0.664 5.006 4.340 0.002 0.000 0.270 296 Q C -1.176 174.754 176.000 -0.117 0.000 1.020 296 Q CA -0.585 55.140 55.803 -0.131 0.000 0.785 296 Q CB 2.160 30.863 28.738 -0.058 0.000 1.259 296 Q HN 0.793 nan 8.270 nan 0.000 0.452 297 A N 4.976 127.681 122.820 -0.191 0.000 2.279 297 A HA 0.652 4.973 4.320 0.002 0.000 0.303 297 A C -2.416 174.896 177.584 -0.453 0.000 1.108 297 A CA -1.661 50.118 52.037 -0.429 0.000 0.830 297 A CB 0.164 19.011 19.000 -0.254 0.000 1.106 297 A HN 0.647 nan 8.150 nan 0.000 0.493 298 P HA -0.024 nan 4.420 nan 0.000 0.261 298 P C -0.556 176.633 177.300 -0.186 0.000 1.165 298 P CA 0.932 63.801 63.100 -0.384 0.000 0.759 298 P CB 0.115 31.579 31.700 -0.392 0.000 0.772 299 D N 0.155 120.497 120.400 -0.097 0.000 2.792 299 D HA -0.194 4.447 4.640 0.002 0.000 0.231 299 D C -0.089 176.188 176.300 -0.037 0.000 1.160 299 D CA 1.379 55.354 54.000 -0.041 0.000 0.697 299 D CB -0.550 40.230 40.800 -0.032 0.000 1.070 299 D HN 0.460 nan 8.370 nan 0.000 0.426 300 E N -0.669 119.498 120.200 -0.056 0.000 2.266 300 E HA 0.640 4.991 4.350 0.002 0.000 0.268 300 E C 0.067 176.635 176.600 -0.055 0.000 0.879 300 E CA -0.752 55.617 56.400 -0.053 0.000 0.762 300 E CB 1.775 31.430 29.700 -0.076 0.000 1.199 300 E HN 0.148 nan 8.360 nan 0.000 0.422 301 A N 4.183 126.978 122.820 -0.043 0.000 2.520 301 A HA 0.272 4.593 4.320 0.002 0.000 0.235 301 A C -1.900 175.558 177.584 -0.209 0.000 1.065 301 A CA -0.687 51.310 52.037 -0.066 0.000 0.764 301 A CB -0.588 18.412 19.000 -0.000 0.000 1.002 301 A HN 0.312 nan 8.150 nan 0.000 0.502 302 P HA 0.152 nan 4.420 nan 0.000 0.269 302 P C -0.564 176.464 177.300 -0.454 0.000 1.215 302 P CA 0.156 62.858 63.100 -0.663 0.000 0.780 302 P CB 0.667 31.494 31.700 -1.455 0.000 0.898 303 E N 0.515 120.545 120.200 -0.282 0.000 2.195 303 E HA 0.414 4.765 4.350 0.002 0.000 0.271 303 E C -0.763 175.692 176.600 -0.241 0.000 0.923 303 E CA -1.093 55.181 56.400 -0.211 0.000 0.790 303 E CB 1.637 31.315 29.700 -0.037 0.000 1.155 303 E HN 0.289 nan 8.360 nan 0.000 0.402 304 L N 3.102 124.076 121.223 -0.416 0.000 2.312 304 L HA 0.453 4.794 4.340 0.002 0.000 0.281 304 L C -1.556 174.876 176.870 -0.729 0.000 1.070 304 L CA 0.138 54.752 54.840 -0.377 0.000 0.805 304 L CB 0.206 42.120 42.059 -0.241 0.000 1.174 304 L HN 0.391 nan 8.230 nan 0.000 0.434 305 F N 3.754 123.468 119.950 -0.394 0.000 2.569 305 F HA 0.516 5.044 4.527 0.002 0.000 0.312 305 F C -0.437 175.110 175.800 -0.422 0.000 1.109 305 F CA -0.831 56.783 58.000 -0.643 0.000 0.919 305 F CB 2.000 40.191 39.000 -1.348 0.000 1.211 305 F HN 0.018 nan 8.300 nan 0.000 0.446 306 V N 4.489 124.324 119.914 -0.132 0.000 2.394 306 V HA 0.349 4.470 4.120 0.002 0.000 0.282 306 V C 0.021 176.246 176.094 0.218 0.000 1.031 306 V CA -0.767 61.558 62.300 0.041 0.000 0.881 306 V CB 1.519 33.394 31.823 0.086 0.000 0.982 306 V HN 0.538 nan 8.190 nan 0.000 0.451 307 L N 7.322 128.675 121.223 0.217 0.000 2.410 307 L HA 0.283 4.625 4.340 0.002 0.000 0.273 307 L C -2.091 174.886 176.870 0.177 0.000 1.152 307 L CA -1.410 53.585 54.840 0.257 0.000 0.855 307 L CB 0.615 42.758 42.059 0.140 0.000 1.129 307 L HN 0.446 nan 8.230 nan 0.000 0.463 308 P HA 0.059 nan 4.420 nan 0.000 0.264 308 P C -1.996 175.351 177.300 0.077 0.000 1.229 308 P CA -0.911 62.254 63.100 0.108 0.000 0.780 308 P CB 0.393 32.139 31.700 0.077 0.000 0.808 309 P HA -0.273 nan 4.420 nan 0.000 0.219 309 P C 1.298 178.630 177.300 0.053 0.000 1.151 309 P CA 1.474 64.616 63.100 0.070 0.000 0.850 309 P CB -0.109 31.635 31.700 0.073 0.000 0.784 310 E N -1.041 119.186 120.200 0.044 0.000 2.358 310 E HA -0.073 4.278 4.350 0.002 0.000 0.195 310 E C 1.601 178.217 176.600 0.026 0.000 1.010 310 E CA 0.781 57.200 56.400 0.031 0.000 0.856 310 E CB -0.962 28.753 29.700 0.025 0.000 0.795 310 E HN 0.238 nan 8.360 nan 0.000 0.504 311 L N 0.905 122.145 121.223 0.029 0.000 2.270 311 L HA 0.044 4.385 4.340 0.002 0.000 0.210 311 L C 0.871 177.759 176.870 0.030 0.000 1.104 311 L CA 0.621 55.474 54.840 0.021 0.000 0.804 311 L CB 0.272 42.336 42.059 0.009 0.000 0.937 311 L HN -0.115 nan 8.230 nan 0.000 0.450 312 V N 1.694 121.628 119.914 0.034 0.000 2.284 312 V HA 0.173 4.294 4.120 0.002 0.000 0.260 312 V C -0.007 176.120 176.094 0.055 0.000 1.084 312 V CA -0.804 61.518 62.300 0.036 0.000 0.894 312 V CB 0.793 32.625 31.823 0.015 0.000 1.119 312 V HN -0.003 nan 8.190 nan 0.000 0.484 313 L N 5.599 126.860 121.223 0.062 0.000 2.410 313 L HA 0.400 4.741 4.340 0.002 0.000 0.273 313 L C 0.215 177.127 176.870 0.069 0.000 1.152 313 L CA 0.785 55.654 54.840 0.048 0.000 0.855 313 L CB 0.342 42.422 42.059 0.036 0.000 1.129 313 L HN 0.646 nan 8.230 nan 0.000 0.463 314 E N 3.291 123.509 120.200 0.030 0.000 2.336 314 E HA 0.587 4.938 4.350 0.002 0.000 0.267 314 E C -1.492 175.056 176.600 -0.087 0.000 0.906 314 E CA -1.028 55.392 56.400 0.032 0.000 0.781 314 E CB 2.473 32.227 29.700 0.091 0.000 1.261 314 E HN 0.362 nan 8.360 nan 0.000 0.436 315 V N 2.686 122.515 119.914 -0.143 0.000 2.444 315 V HA 0.321 4.442 4.120 0.002 0.000 0.294 315 V C -2.455 173.579 176.094 -0.100 0.000 1.022 315 V CA -2.025 60.127 62.300 -0.247 0.000 0.850 315 V CB 1.530 32.940 31.823 -0.690 0.000 0.992 315 V HN 0.517 nan 8.190 nan 0.000 0.426 316 P HA 0.328 nan 4.420 nan 0.000 0.282 316 P C -0.693 176.622 177.300 0.025 0.000 1.262 316 P CA -0.181 62.898 63.100 -0.035 0.000 0.773 316 P CB 0.554 32.236 31.700 -0.030 0.000 0.879 317 L N 4.205 125.482 121.223 0.090 0.000 2.281 317 L HA 0.421 4.762 4.340 0.002 0.000 0.285 317 L C 1.001 178.053 176.870 0.304 0.000 1.074 317 L CA -0.089 54.873 54.840 0.203 0.000 0.817 317 L CB 0.317 42.565 42.059 0.314 0.000 1.168 317 L HN 0.459 nan 8.230 nan 0.000 0.434 318 E N 2.375 122.713 120.200 0.230 0.000 2.367 318 E HA 0.360 4.711 4.350 0.002 0.000 0.273 318 E C -1.288 175.340 176.600 0.046 0.000 0.903 318 E CA -0.932 55.616 56.400 0.248 0.000 0.764 318 E CB 2.219 32.026 29.700 0.178 0.000 1.252 318 E HN 0.469 nan 8.360 nan 0.000 0.446 319 H N 2.481 121.428 119.070 -0.206 0.000 2.481 319 H HA 0.200 4.757 4.556 0.002 0.000 0.339 319 H C -1.623 173.423 175.328 -0.470 0.000 1.131 319 H CA -2.061 53.704 56.048 -0.471 0.000 1.301 319 H CB 1.837 31.224 29.762 -0.625 0.000 1.476 319 H HN 0.453 nan 8.280 nan 0.000 0.529 320 P HA -0.087 nan 4.420 nan 0.000 0.226 320 P C 0.788 177.943 177.300 -0.241 0.000 1.153 320 P CA 1.457 64.082 63.100 -0.791 0.000 0.777 320 P CB 0.514 31.691 31.700 -0.871 0.000 0.794 321 T N -4.855 109.741 114.554 0.069 0.000 3.051 321 T HA 0.172 4.523 4.350 0.002 0.000 0.254 321 T C 0.759 175.368 174.700 -0.151 0.000 0.916 321 T CA -0.222 61.864 62.100 -0.024 0.000 0.894 321 T CB -0.593 68.268 68.868 -0.011 0.000 1.251 321 T HN -0.065 nan 8.240 nan 0.000 0.517 322 L N 4.287 125.298 121.223 -0.353 0.000 2.404 322 L HA 0.346 4.687 4.340 0.002 0.000 0.277 322 L C 2.067 178.547 176.870 -0.650 0.000 1.184 322 L CA -0.514 53.835 54.840 -0.818 0.000 1.013 322 L CB 0.513 41.640 42.059 -1.553 0.000 1.318 322 L HN 0.346 nan 8.230 nan 0.000 0.435 323 E N 4.050 124.046 120.200 -0.339 0.000 2.219 323 E HA -0.249 4.102 4.350 0.002 0.000 0.198 323 E C 1.579 178.160 176.600 -0.032 0.000 0.998 323 E CA 1.571 57.900 56.400 -0.119 0.000 0.818 323 E CB -0.208 29.486 29.700 -0.011 0.000 0.741 323 E HN 0.823 nan 8.360 nan 0.000 0.477 324 W N -0.619 120.730 121.300 0.081 0.000 2.800 324 W HA 0.094 4.755 4.660 0.002 0.000 0.249 324 W C 1.568 178.145 176.519 0.098 0.000 1.294 324 W CA -0.244 57.142 57.345 0.069 0.000 1.402 324 W CB -1.092 28.388 29.460 0.033 0.000 1.126 324 W HN -0.121 nan 8.180 nan 0.000 0.652 325 F N 3.170 123.035 119.950 -0.141 0.000 2.069 325 F HA -0.151 4.377 4.527 0.002 0.000 0.298 325 F C 2.754 178.631 175.800 0.128 0.000 1.113 325 F CA 3.188 61.196 58.000 0.014 0.000 1.214 325 F CB -0.725 38.148 39.000 -0.211 0.000 0.978 325 F HN -0.079 nan 8.300 nan 0.000 0.474 326 A N 0.366 123.347 122.820 0.268 0.000 1.997 326 A HA -0.246 4.075 4.320 0.002 0.000 0.221 326 A C 2.318 179.954 177.584 0.087 0.000 1.172 326 A CA 1.935 54.076 52.037 0.173 0.000 0.645 326 A CB -1.654 17.430 19.000 0.139 0.000 0.813 326 A HN 0.539 nan 8.150 nan 0.000 0.454 327 A N -0.732 122.154 122.820 0.109 0.000 2.131 327 A HA 0.014 4.335 4.320 0.002 0.000 0.220 327 A C 1.920 179.526 177.584 0.037 0.000 1.158 327 A CA 1.378 53.466 52.037 0.084 0.000 0.665 327 A CB -0.556 18.520 19.000 0.126 0.000 0.795 327 A HN 0.514 nan 8.150 nan 0.000 0.460 328 L N -1.256 119.953 121.223 -0.024 0.000 2.478 328 L HA 0.110 4.451 4.340 0.002 0.000 0.223 328 L C 1.850 178.711 176.870 -0.016 0.000 1.140 328 L CA 0.601 55.402 54.840 -0.065 0.000 0.842 328 L CB -0.352 41.559 42.059 -0.247 0.000 0.953 328 L HN 0.533 nan 8.230 nan 0.000 0.452 329 G N 0.591 109.381 108.800 -0.017 0.000 2.187 329 G HA2 -0.304 3.657 3.960 0.002 0.000 0.261 329 G HA3 -0.304 3.657 3.960 0.002 0.000 0.261 329 G C 0.343 175.170 174.900 -0.122 0.000 1.000 329 G CA 0.085 45.170 45.100 -0.024 0.000 0.718 329 G HN 0.269 nan 8.290 nan 0.000 0.519 330 L N -0.166 120.990 121.223 -0.112 0.000 2.461 330 L HA 0.596 4.937 4.340 0.002 0.000 0.272 330 L C 1.183 177.868 176.870 -0.307 0.000 1.197 330 L CA -0.013 54.703 54.840 -0.206 0.000 0.836 330 L CB 0.554 42.616 42.059 0.004 0.000 1.105 330 L HN 0.584 nan 8.230 nan 0.000 0.477 331 R N 2.074 122.242 120.500 -0.553 0.000 2.690 331 R HA 0.472 4.813 4.340 0.002 0.000 0.269 331 R C -2.181 174.116 176.300 -0.004 0.000 1.037 331 R CA -1.020 54.913 56.100 -0.279 0.000 0.877 331 R CB 1.647 31.714 30.300 -0.389 0.000 1.255 331 R HN 0.658 nan 8.270 nan 0.000 0.467 332 W N 2.915 124.215 121.300 -0.001 0.000 3.256 332 W HA 0.320 4.981 4.660 0.002 0.000 0.324 332 W C -1.068 175.533 176.519 0.136 0.000 1.196 332 W CA -1.057 56.367 57.345 0.130 0.000 1.206 332 W CB 1.798 31.235 29.460 -0.038 0.000 1.385 332 W HN 0.717 nan 8.180 nan 0.000 0.522 333 Y N 1.585 121.783 120.300 -0.171 0.000 2.457 333 Y HA 0.438 4.990 4.550 0.002 0.000 0.341 333 Y C 0.862 176.992 175.900 0.383 0.000 1.240 333 Y CA 0.457 58.560 58.100 0.005 0.000 1.437 333 Y CB 0.175 38.512 38.460 -0.205 0.000 1.328 333 Y HN 0.353 nan 8.280 nan 0.000 0.588 334 A N 2.233 125.323 122.820 0.451 0.000 2.132 334 A HA 0.143 4.464 4.320 0.002 0.000 0.213 334 A C 0.260 178.205 177.584 0.602 0.000 1.154 334 A CA 0.146 52.516 52.037 0.555 0.000 0.753 334 A CB -0.215 18.930 19.000 0.243 0.000 0.826 334 A HN 0.669 nan 8.150 nan 0.000 0.469 335 L N 1.736 123.271 121.223 0.520 0.000 2.298 335 L HA 0.486 4.827 4.340 0.002 0.000 0.284 335 L C -2.689 174.334 176.870 0.254 0.000 1.013 335 L CA -2.127 52.909 54.840 0.326 0.000 0.824 335 L CB 1.945 44.135 42.059 0.219 0.000 1.221 335 L HN -0.062 nan 8.230 nan 0.000 0.418 336 P HA 0.434 nan 4.420 nan 0.000 0.301 336 P C -1.560 175.658 177.300 -0.137 0.000 1.348 336 P CA -0.501 62.472 63.100 -0.212 0.000 0.826 336 P CB 1.750 32.958 31.700 -0.820 0.000 0.945 337 A N 4.145 126.884 122.820 -0.136 0.000 2.876 337 A HA 0.355 4.676 4.320 0.002 0.000 0.309 337 A C -0.237 177.098 177.584 -0.415 0.000 1.168 337 A CA -0.563 51.309 52.037 -0.275 0.000 0.762 337 A CB 0.424 19.304 19.000 -0.201 0.000 1.262 337 A HN 0.276 nan 8.150 nan 0.000 0.435 338 V N 2.311 121.819 119.914 -0.678 0.000 2.644 338 V HA 0.103 4.224 4.120 0.002 0.000 0.305 338 V C 1.322 177.045 176.094 -0.618 0.000 1.053 338 V CA 1.636 63.543 62.300 -0.655 0.000 1.186 338 V CB 0.859 32.162 31.823 -0.865 0.000 0.895 338 V HN 1.090 nan 8.190 nan 0.000 0.490 339 S N 1.506 117.043 115.700 -0.270 0.000 2.733 339 S HA 0.062 4.533 4.470 0.002 0.000 0.247 339 S C 0.809 175.406 174.600 -0.004 0.000 1.043 339 S CA 0.055 58.176 58.200 -0.131 0.000 1.066 339 S CB -0.366 62.782 63.200 -0.085 0.000 1.045 339 S HN 0.930 nan 8.310 nan 0.000 0.586 340 N N 0.420 119.124 118.700 0.007 0.000 2.205 340 N HA 0.291 5.032 4.740 0.002 0.000 0.201 340 N C 0.210 175.788 175.510 0.114 0.000 1.128 340 N CA -0.464 52.622 53.050 0.061 0.000 0.867 340 N CB 0.089 38.603 38.487 0.044 0.000 0.996 340 N HN 0.257 nan 8.380 nan 0.000 0.503 341 M N 1.434 121.130 119.600 0.161 0.000 2.342 341 M HA 0.308 4.789 4.480 0.002 0.000 0.332 341 M C -0.602 175.868 176.300 0.283 0.000 1.166 341 M CA -0.804 54.650 55.300 0.256 0.000 1.086 341 M CB 2.360 35.167 32.600 0.345 0.000 1.541 341 M HN 0.144 nan 8.290 nan 0.000 0.462 342 L N 3.023 124.394 121.223 0.246 0.000 2.309 342 L HA 0.537 4.878 4.340 0.002 0.000 0.282 342 L C -1.392 175.589 176.870 0.186 0.000 1.036 342 L CA -0.918 54.040 54.840 0.198 0.000 0.806 342 L CB 1.185 43.310 42.059 0.110 0.000 1.220 342 L HN 0.591 nan 8.230 nan 0.000 0.429 343 L N 5.212 126.522 121.223 0.146 0.000 2.272 343 L HA 0.452 4.793 4.340 0.002 0.000 0.289 343 L C -0.463 176.404 176.870 -0.005 0.000 1.032 343 L CA 0.247 55.034 54.840 -0.088 0.000 0.810 343 L CB 1.125 43.089 42.059 -0.158 0.000 1.205 343 L HN 0.645 nan 8.230 nan 0.000 0.422 344 E N 6.537 126.662 120.200 -0.125 0.000 2.151 344 E HA 0.452 4.803 4.350 0.002 0.000 0.275 344 E C -1.571 174.950 176.600 -0.132 0.000 0.936 344 E CA -0.457 55.894 56.400 -0.082 0.000 0.777 344 E CB 1.228 30.880 29.700 -0.080 0.000 1.108 344 E HN 0.710 nan 8.360 nan 0.000 0.401 345 I N 2.087 122.586 120.570 -0.119 0.000 2.571 345 I HA 0.254 4.425 4.170 0.002 0.000 0.289 345 I C 0.802 176.745 176.117 -0.290 0.000 1.115 345 I CA -0.813 60.309 61.300 -0.297 0.000 1.045 345 I CB 2.110 39.850 38.000 -0.433 0.000 1.238 345 I HN 0.781 nan 8.210 nan 0.000 0.424 346 G N 4.021 112.684 108.800 -0.229 0.000 2.402 346 G HA2 -0.137 3.825 3.960 0.002 0.000 0.300 346 G HA3 -0.137 3.825 3.960 0.002 0.000 0.300 346 G C 1.056 176.039 174.900 0.137 0.000 0.987 346 G CA 0.995 46.149 45.100 0.089 0.000 0.881 346 G HN 1.680 nan 8.290 nan 0.000 0.512 347 G N -2.178 106.642 108.800 0.033 0.000 2.199 347 G HA2 -0.245 3.716 3.960 0.002 0.000 0.254 347 G HA3 -0.245 3.716 3.960 0.002 0.000 0.254 347 G C 0.436 175.292 174.900 -0.074 0.000 0.982 347 G CA 0.494 45.606 45.100 0.020 0.000 0.632 347 G HN 1.234 nan 8.290 nan 0.000 0.529 348 L N 0.706 121.826 121.223 -0.172 0.000 2.334 348 L HA 0.576 4.917 4.340 0.002 0.000 0.277 348 L C 0.285 176.917 176.870 -0.397 0.000 1.075 348 L CA -0.524 54.089 54.840 -0.378 0.000 0.804 348 L CB 1.240 42.963 42.059 -0.559 0.000 1.174 348 L HN 0.157 nan 8.230 nan 0.000 0.438 349 E N 2.850 122.757 120.200 -0.489 0.000 2.145 349 E HA 0.336 4.687 4.350 0.002 0.000 0.270 349 E C -1.452 174.852 176.600 -0.494 0.000 0.906 349 E CA -0.415 55.776 56.400 -0.348 0.000 0.761 349 E CB 1.515 31.107 29.700 -0.180 0.000 1.116 349 E HN 0.275 nan 8.360 nan 0.000 0.408 350 F N 2.079 121.990 119.950 -0.065 0.000 2.303 350 F HA 0.080 4.608 4.527 0.002 0.000 0.368 350 F C 1.637 177.464 175.800 0.045 0.000 1.105 350 F CA -0.488 57.500 58.000 -0.021 0.000 1.153 350 F CB 1.006 39.976 39.000 -0.051 0.000 1.362 350 F HN 0.430 nan 8.300 nan 0.000 0.511 351 S N 1.527 117.319 115.700 0.154 0.000 2.469 351 S HA 0.090 4.561 4.470 0.002 0.000 0.238 351 S C 0.807 175.532 174.600 0.208 0.000 0.998 351 S CA 0.461 58.755 58.200 0.158 0.000 0.957 351 S CB -0.072 63.205 63.200 0.128 0.000 0.764 351 S HN 0.524 nan 8.310 nan 0.000 0.514 352 A N 0.331 123.313 122.820 0.270 0.000 2.457 352 A HA 0.818 5.139 4.320 0.002 0.000 0.283 352 A C -0.264 177.560 177.584 0.400 0.000 1.166 352 A CA -0.153 52.064 52.037 0.301 0.000 0.740 352 A CB 1.024 20.167 19.000 0.239 0.000 1.181 352 A HN 1.043 nan 8.150 nan 0.000 0.446 353 A N 4.200 127.214 122.820 0.324 0.000 3.307 353 A HA 0.652 4.973 4.320 0.002 0.000 0.289 353 A C -3.044 174.699 177.584 0.264 0.000 1.138 353 A CA -0.974 51.223 52.037 0.266 0.000 0.860 353 A CB 0.460 19.603 19.000 0.237 0.000 1.318 353 A HN 0.504 nan 8.150 nan 0.000 0.551 354 P HA 0.424 nan 4.420 nan 0.000 0.268 354 P C -0.752 176.540 177.300 -0.013 0.000 1.204 354 P CA 0.423 63.477 63.100 -0.077 0.000 0.768 354 P CB 0.319 31.924 31.700 -0.159 0.000 0.842 355 F N -0.355 119.551 119.950 -0.074 0.000 2.603 355 F HA 0.796 5.324 4.527 0.002 0.000 0.317 355 F C -0.722 175.021 175.800 -0.094 0.000 1.066 355 F CA -1.266 56.702 58.000 -0.054 0.000 0.941 355 F CB 1.670 40.530 39.000 -0.232 0.000 1.291 355 F HN 0.414 nan 8.300 nan 0.000 0.472 356 S N -0.057 115.764 115.700 0.202 0.000 2.535 356 S HA 0.824 5.296 4.470 0.002 0.000 0.272 356 S C -0.757 173.834 174.600 -0.015 0.000 1.149 356 S CA -0.160 58.087 58.200 0.079 0.000 0.888 356 S CB 1.281 64.585 63.200 0.174 0.000 1.110 356 S HN 1.449 nan 8.310 nan 0.000 0.463 357 G N 0.689 109.415 108.800 -0.124 0.000 2.665 357 G HA2 0.737 4.698 3.960 0.002 0.000 0.204 357 G HA3 0.737 4.698 3.960 0.002 0.000 0.204 357 G C -1.044 173.870 174.900 0.023 0.000 1.883 357 G CA -0.037 44.906 45.100 -0.261 0.000 0.734 357 G HN 1.317 nan 8.290 nan 0.000 0.811 358 W N -1.650 119.647 121.300 -0.005 0.000 3.153 358 W HA 0.744 5.405 4.660 0.002 0.000 0.316 358 W C -1.843 174.665 176.519 -0.018 0.000 1.255 358 W CA -2.315 55.035 57.345 0.008 0.000 1.192 358 W CB 0.139 29.653 29.460 0.090 0.000 1.400 358 W HN 0.355 nan 8.180 nan 0.000 0.568 359 Y N 2.872 123.358 120.300 0.311 0.000 2.457 359 Y HA 0.245 4.796 4.550 0.002 0.000 0.341 359 Y C 0.963 176.929 175.900 0.110 0.000 1.240 359 Y CA -0.178 57.990 58.100 0.113 0.000 1.437 359 Y CB 0.844 39.267 38.460 -0.062 0.000 1.328 359 Y HN 0.503 nan 8.280 nan 0.000 0.588 360 M N 2.143 121.890 119.600 0.246 0.000 2.180 360 M HA 0.201 4.682 4.480 0.002 0.000 0.350 360 M C 1.048 177.355 176.300 0.013 0.000 1.125 360 M CA -0.320 55.058 55.300 0.130 0.000 1.031 360 M CB 1.147 33.798 32.600 0.085 0.000 1.623 360 M HN 0.826 nan 8.290 nan 0.000 0.451 361 S N 1.272 116.939 115.700 -0.055 0.000 2.413 361 S HA -0.213 4.258 4.470 0.002 0.000 0.237 361 S C 1.457 175.930 174.600 -0.211 0.000 1.044 361 S CA 2.229 60.320 58.200 -0.182 0.000 1.024 361 S CB -1.401 61.729 63.200 -0.117 0.000 0.829 361 S HN 0.930 nan 8.310 nan 0.000 0.475 362 T N -0.059 114.401 114.554 -0.157 0.000 2.915 362 T HA 0.001 4.352 4.350 0.002 0.000 0.269 362 T C 1.544 176.095 174.700 -0.249 0.000 1.071 362 T CA 1.133 63.092 62.100 -0.235 0.000 1.132 362 T CB -0.553 68.139 68.868 -0.294 0.000 0.878 362 T HN 0.608 nan 8.240 nan 0.000 0.479 363 E N 0.876 120.951 120.200 -0.209 0.000 2.110 363 E HA -0.036 4.315 4.350 0.002 0.000 0.193 363 E C 1.987 178.333 176.600 -0.424 0.000 0.988 363 E CA 1.309 57.586 56.400 -0.204 0.000 0.804 363 E CB -0.274 29.440 29.700 0.024 0.000 0.745 363 E HN 0.601 nan 8.360 nan 0.000 0.458 364 I N 0.031 120.231 120.570 -0.616 0.000 2.364 364 I HA -0.033 4.139 4.170 0.002 0.000 0.241 364 I C 2.588 178.371 176.117 -0.556 0.000 1.082 364 I CA 0.820 61.593 61.300 -0.879 0.000 1.401 364 I CB -0.506 36.867 38.000 -1.045 0.000 1.126 364 I HN 0.091 nan 8.210 nan 0.000 0.429 365 G N 0.209 108.778 108.800 -0.384 0.000 2.422 365 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 365 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 365 G C 1.590 176.376 174.900 -0.190 0.000 1.146 365 G CA 1.593 46.554 45.100 -0.231 0.000 0.769 365 G HN 0.294 nan 8.290 nan 0.000 0.547 366 T N -0.100 114.318 114.554 -0.226 0.000 3.031 366 T HA 0.099 4.450 4.350 0.002 0.000 0.236 366 T C 2.534 177.122 174.700 -0.187 0.000 1.005 366 T CA 0.253 62.238 62.100 -0.192 0.000 1.230 366 T CB 0.030 68.766 68.868 -0.221 0.000 0.913 366 T HN -0.005 nan 8.240 nan 0.000 0.419 367 R N 2.143 122.514 120.500 -0.216 0.000 2.061 367 R HA 0.099 4.441 4.340 0.002 0.000 0.230 367 R C 2.125 178.305 176.300 -0.199 0.000 1.140 367 R CA 1.195 57.178 56.100 -0.196 0.000 0.940 367 R CB -1.199 28.987 30.300 -0.190 0.000 0.839 367 R HN 0.369 nan 8.270 nan 0.000 0.429 368 N N 0.840 119.372 118.700 -0.280 0.000 2.188 368 N HA -0.063 4.678 4.740 0.002 0.000 0.184 368 N C 1.965 177.377 175.510 -0.165 0.000 1.018 368 N CA 0.966 53.850 53.050 -0.277 0.000 0.858 368 N CB -0.147 37.912 38.487 -0.714 0.000 0.989 368 N HN 0.204 nan 8.380 nan 0.000 0.426 369 L N -0.622 120.464 121.223 -0.229 0.000 2.375 369 L HA 0.101 4.442 4.340 0.002 0.000 0.215 369 L C 1.282 178.168 176.870 0.026 0.000 1.108 369 L CA 0.324 55.124 54.840 -0.068 0.000 0.830 369 L CB 0.221 42.223 42.059 -0.095 0.000 0.959 369 L HN 0.140 nan 8.230 nan 0.000 0.457 370 C N -1.592 117.689 119.300 -0.031 0.000 3.230 370 C HA 0.183 4.644 4.460 0.002 0.000 0.300 370 C C 0.636 175.614 174.990 -0.021 0.000 1.292 370 C CA -0.859 58.156 59.018 -0.005 0.000 1.707 370 C CB -0.212 27.511 27.740 -0.027 0.000 2.181 370 C HN 0.284 nan 8.230 nan 0.000 0.655 371 D N 3.196 123.552 120.400 -0.074 0.000 2.455 371 D HA 0.057 4.698 4.640 0.002 0.000 0.241 371 D C -1.081 175.197 176.300 -0.037 0.000 1.138 371 D CA -1.350 52.585 54.000 -0.109 0.000 0.877 371 D CB 0.665 41.246 40.800 -0.365 0.000 1.187 371 D HN 0.195 nan 8.370 nan 0.000 0.451 372 P HA -0.163 nan 4.420 nan 0.000 0.219 372 P C 0.610 178.007 177.300 0.162 0.000 1.146 372 P CA 1.335 64.516 63.100 0.136 0.000 0.808 372 P CB 0.041 31.836 31.700 0.158 0.000 0.779 373 H N -2.481 116.604 119.070 0.025 0.000 2.505 373 H HA 0.379 4.936 4.556 0.002 0.000 0.289 373 H C 0.958 176.302 175.328 0.028 0.000 1.052 373 H CA -0.415 55.646 56.048 0.021 0.000 1.156 373 H CB -0.031 29.742 29.762 0.018 0.000 1.507 373 H HN -0.033 nan 8.280 nan 0.000 0.548 374 R N -0.066 120.343 120.500 -0.151 0.000 2.769 374 R HA 0.182 4.524 4.340 0.002 0.000 0.117 374 R C 0.948 177.249 176.300 0.001 0.000 1.152 374 R CA -0.673 55.388 56.100 -0.065 0.000 0.887 374 R CB -0.855 29.417 30.300 -0.047 0.000 1.099 374 R HN 0.093 nan 8.270 nan 0.000 0.398 375 Y N 1.608 121.916 120.300 0.013 0.000 2.571 375 Y HA -0.070 4.481 4.550 0.002 0.000 0.294 375 Y C 0.645 176.568 175.900 0.039 0.000 1.141 375 Y CA 0.764 58.889 58.100 0.042 0.000 1.308 375 Y CB -0.601 37.921 38.460 0.103 0.000 1.002 375 Y HN 0.516 nan 8.280 nan 0.000 0.551 376 N N 1.064 119.852 118.700 0.147 0.000 2.696 376 N HA -0.242 4.499 4.740 0.002 0.000 0.271 376 N C 0.421 176.012 175.510 0.135 0.000 0.997 376 N CA 0.792 53.909 53.050 0.111 0.000 0.801 376 N CB -1.157 37.379 38.487 0.082 0.000 0.913 376 N HN 0.657 nan 8.380 nan 0.000 0.557 377 I N -3.041 117.624 120.570 0.158 0.000 3.883 377 I HA 0.119 4.290 4.170 0.002 0.000 0.326 377 I C 1.470 177.685 176.117 0.163 0.000 1.283 377 I CA -0.420 60.973 61.300 0.155 0.000 1.161 377 I CB -0.064 38.035 38.000 0.165 0.000 1.012 377 I HN 0.155 nan 8.210 nan 0.000 0.421 378 L N 1.763 123.091 121.223 0.175 0.000 2.043 378 L HA -0.227 4.114 4.340 0.002 0.000 0.212 378 L C 2.483 179.563 176.870 0.349 0.000 1.075 378 L CA 2.058 57.037 54.840 0.232 0.000 0.752 378 L CB -0.830 41.339 42.059 0.184 0.000 0.891 378 L HN 0.472 nan 8.230 nan 0.000 0.432 379 E N -1.161 119.221 120.200 0.303 0.000 2.047 379 E HA -0.204 4.147 4.350 0.002 0.000 0.191 379 E C 1.771 178.406 176.600 0.059 0.000 0.987 379 E CA 1.099 57.607 56.400 0.180 0.000 0.799 379 E CB 0.063 29.808 29.700 0.075 0.000 0.752 379 E HN 0.502 nan 8.360 nan 0.000 0.449 380 D N 0.111 120.549 120.400 0.063 0.000 2.106 380 D HA -0.177 4.464 4.640 0.002 0.000 0.191 380 D C 2.048 178.355 176.300 0.011 0.000 0.997 380 D CA 1.341 55.349 54.000 0.012 0.000 0.834 380 D CB -0.347 40.469 40.800 0.027 0.000 0.956 380 D HN 0.120 nan 8.370 nan 0.000 0.448 381 V N 1.453 121.434 119.914 0.111 0.000 2.490 381 V HA -0.212 3.909 4.120 0.002 0.000 0.250 381 V C 2.510 178.708 176.094 0.173 0.000 1.061 381 V CA 1.624 64.050 62.300 0.210 0.000 1.064 381 V CB -0.816 31.215 31.823 0.347 0.000 0.670 381 V HN 0.178 nan 8.190 nan 0.000 0.461 382 A N 0.057 122.973 122.820 0.160 0.000 1.873 382 A HA -0.133 4.188 4.320 0.002 0.000 0.215 382 A C 2.372 179.934 177.584 -0.038 0.000 1.186 382 A CA 1.956 54.078 52.037 0.142 0.000 0.616 382 A CB -0.692 18.435 19.000 0.212 0.000 0.823 382 A HN 0.331 nan 8.150 nan 0.000 0.442 383 V N -0.799 119.039 119.914 -0.126 0.000 2.490 383 V HA -0.298 3.823 4.120 0.002 0.000 0.250 383 V C 2.588 178.524 176.094 -0.263 0.000 1.061 383 V CA 1.876 64.062 62.300 -0.189 0.000 1.064 383 V CB -1.081 30.632 31.823 -0.183 0.000 0.670 383 V HN 0.715 nan 8.190 nan 0.000 0.461 384 C N -0.420 118.666 119.300 -0.357 0.000 2.446 384 C HA -0.105 4.356 4.460 0.002 0.000 0.277 384 C C 2.637 177.147 174.990 -0.801 0.000 1.275 384 C CA 0.924 59.460 59.018 -0.803 0.000 1.727 384 C CB -0.857 26.152 27.740 -1.218 0.000 2.010 384 C HN 0.520 nan 8.230 nan 0.000 0.486 385 M N 0.249 119.681 119.600 -0.281 0.000 2.659 385 M HA 0.020 4.501 4.480 0.002 0.000 0.243 385 M C 0.374 176.667 176.300 -0.012 0.000 1.111 385 M CA 0.855 56.190 55.300 0.059 0.000 1.070 385 M CB -0.406 32.338 32.600 0.239 0.000 1.525 385 M HN 0.265 nan 8.290 nan 0.000 0.517 386 D N 1.883 122.216 120.400 -0.113 0.000 2.746 386 D HA -0.155 4.486 4.640 0.002 0.000 0.241 386 D C -1.170 175.107 176.300 -0.040 0.000 1.140 386 D CA 0.557 54.503 54.000 -0.091 0.000 0.707 386 D CB -0.955 39.800 40.800 -0.075 0.000 1.034 386 D HN 0.305 nan 8.370 nan 0.000 0.423 387 L N 0.290 121.490 121.223 -0.038 0.000 2.352 387 L HA 0.383 4.724 4.340 0.002 0.000 0.269 387 L C 1.010 177.835 176.870 -0.075 0.000 1.034 387 L CA -0.969 53.874 54.840 0.005 0.000 0.806 387 L CB 1.124 43.250 42.059 0.111 0.000 1.244 387 L HN 0.013 nan 8.230 nan 0.000 0.447 388 D N 1.133 121.516 120.400 -0.028 0.000 2.455 388 D HA -0.017 4.624 4.640 0.002 0.000 0.234 388 D C 0.872 177.048 176.300 -0.207 0.000 1.224 388 D CA -0.085 53.869 54.000 -0.077 0.000 0.999 388 D CB 0.743 41.545 40.800 0.004 0.000 1.072 388 D HN 0.632 nan 8.370 nan 0.000 0.514 389 T N 0.617 114.859 114.554 -0.520 0.000 3.317 389 T HA 0.022 4.373 4.350 0.002 0.000 0.250 389 T C 1.460 175.847 174.700 -0.521 0.000 1.106 389 T CA -0.210 61.178 62.100 -1.186 0.000 0.986 389 T CB 0.084 68.136 68.868 -1.360 0.000 1.010 389 T HN 0.266 nan 8.240 nan 0.000 0.560 390 R N 0.443 120.812 120.500 -0.218 0.000 2.161 390 R HA 0.076 4.417 4.340 0.002 0.000 0.213 390 R C 0.384 176.705 176.300 0.035 0.000 1.055 390 R CA 0.839 56.893 56.100 -0.076 0.000 0.996 390 R CB 0.106 30.372 30.300 -0.055 0.000 0.901 390 R HN 0.416 nan 8.270 nan 0.000 0.456 391 T N -1.478 113.149 114.554 0.120 0.000 2.916 391 T HA 0.135 4.487 4.350 0.002 0.000 0.305 391 T C 0.932 175.816 174.700 0.306 0.000 1.119 391 T CA -0.182 62.024 62.100 0.177 0.000 1.008 391 T CB 1.855 70.788 68.868 0.107 0.000 1.129 391 T HN 0.264 nan 8.240 nan 0.000 0.480 392 T N 0.781 115.463 114.554 0.214 0.000 2.777 392 T HA -0.100 4.251 4.350 0.002 0.000 0.266 392 T C 2.151 176.888 174.700 0.062 0.000 1.040 392 T CA 1.861 64.034 62.100 0.122 0.000 1.141 392 T CB -0.965 67.929 68.868 0.044 0.000 0.868 392 T HN 0.756 nan 8.240 nan 0.000 0.444 393 S N 2.311 118.052 115.700 0.068 0.000 2.493 393 S HA -0.130 4.341 4.470 0.002 0.000 0.243 393 S C 2.159 176.797 174.600 0.062 0.000 0.991 393 S CA 1.160 59.388 58.200 0.046 0.000 0.957 393 S CB -1.042 62.183 63.200 0.043 0.000 0.756 393 S HN 0.824 nan 8.310 nan 0.000 0.521 394 S N 1.536 117.306 115.700 0.117 0.000 2.527 394 S HA 0.217 4.688 4.470 0.002 0.000 0.222 394 S C 0.994 175.665 174.600 0.119 0.000 0.985 394 S CA 0.312 58.593 58.200 0.136 0.000 0.921 394 S CB -0.919 62.403 63.200 0.203 0.000 0.772 394 S HN 0.628 nan 8.310 nan 0.000 0.529 395 L N 0.647 121.901 121.223 0.051 0.000 4.040 395 L HA -0.181 4.160 4.340 0.002 0.000 0.410 395 L C 1.682 178.535 176.870 -0.029 0.000 1.187 395 L CA 0.694 55.502 54.840 -0.053 0.000 0.956 395 L CB -2.552 39.495 42.059 -0.020 0.000 2.022 395 L HN 0.723 nan 8.230 nan 0.000 0.897 396 W N 0.105 121.417 121.300 0.020 0.000 2.342 396 W HA -0.198 4.462 4.660 0.001 0.000 0.297 396 W C 1.753 178.291 176.519 0.032 0.000 1.213 396 W CA 1.482 58.843 57.345 0.026 0.000 1.251 396 W CB -0.803 28.670 29.460 0.020 0.000 1.136 396 W HN 0.291 nan 8.180 nan 0.000 0.526 397 K N 1.028 120.975 120.400 -0.755 0.000 2.026 397 K HA -0.169 4.152 4.320 0.002 0.000 0.208 397 K C 1.561 178.013 176.600 -0.248 0.000 1.048 397 K CA 2.388 58.266 56.287 -0.682 0.000 0.929 397 K CB -0.385 31.519 32.500 -0.993 0.000 0.713 397 K HN 0.051 nan 8.250 nan 0.000 0.439 398 D N 0.610 120.885 120.400 -0.208 0.000 2.117 398 D HA -0.121 4.520 4.640 0.002 0.000 0.197 398 D C 1.670 177.955 176.300 -0.026 0.000 0.987 398 D CA 1.190 55.128 54.000 -0.104 0.000 0.829 398 D CB 0.033 40.780 40.800 -0.089 0.000 0.961 398 D HN 0.111 nan 8.370 nan 0.000 0.460 399 K N 0.487 120.897 120.400 0.017 0.000 2.026 399 K HA -0.035 4.286 4.320 0.002 0.000 0.208 399 K C 2.221 178.884 176.600 0.104 0.000 1.048 399 K CA 1.127 57.456 56.287 0.071 0.000 0.929 399 K CB -0.176 32.388 32.500 0.106 0.000 0.713 399 K HN 0.087 nan 8.250 nan 0.000 0.439 400 A N 1.604 124.507 122.820 0.138 0.000 1.877 400 A HA -0.156 4.165 4.320 0.002 0.000 0.216 400 A C 2.390 180.056 177.584 0.137 0.000 1.186 400 A CA 1.957 54.108 52.037 0.189 0.000 0.620 400 A CB -0.774 18.380 19.000 0.256 0.000 0.822 400 A HN 0.348 nan 8.150 nan 0.000 0.443 401 A N -0.550 122.307 122.820 0.062 0.000 1.883 401 A HA -0.051 4.270 4.320 0.002 0.000 0.217 401 A C 2.247 179.842 177.584 0.018 0.000 1.186 401 A CA 1.920 53.969 52.037 0.020 0.000 0.624 401 A CB -1.086 17.888 19.000 -0.043 0.000 0.822 401 A HN 0.429 nan 8.150 nan 0.000 0.444 402 V N 0.465 120.393 119.914 0.023 0.000 2.287 402 V HA -0.253 3.868 4.120 0.002 0.000 0.248 402 V C 2.601 178.719 176.094 0.039 0.000 1.053 402 V CA 2.269 64.587 62.300 0.029 0.000 1.027 402 V CB -0.754 31.094 31.823 0.042 0.000 0.646 402 V HN 0.549 nan 8.190 nan 0.000 0.447 403 E N -0.095 120.154 120.200 0.082 0.000 2.077 403 E HA -0.145 4.206 4.350 0.002 0.000 0.193 403 E C 2.154 178.764 176.600 0.017 0.000 0.989 403 E CA 1.270 57.738 56.400 0.114 0.000 0.800 403 E CB -0.342 29.461 29.700 0.170 0.000 0.746 403 E HN 0.592 nan 8.360 nan 0.000 0.452 404 I N 1.434 122.047 120.570 0.071 0.000 2.163 404 I HA -0.311 3.860 4.170 0.002 0.000 0.243 404 I C 1.758 177.846 176.117 -0.049 0.000 1.085 404 I CA 1.288 62.630 61.300 0.069 0.000 1.347 404 I CB -0.421 37.675 38.000 0.161 0.000 1.044 404 I HN 0.053 nan 8.210 nan 0.000 0.408 405 N N 0.655 119.324 118.700 -0.052 0.000 2.188 405 N HA -0.164 4.577 4.740 0.002 0.000 0.184 405 N C 1.663 177.117 175.510 -0.093 0.000 1.018 405 N CA 0.836 53.837 53.050 -0.082 0.000 0.858 405 N CB -0.230 38.221 38.487 -0.061 0.000 0.989 405 N HN 0.155 nan 8.380 nan 0.000 0.426 406 L N 0.770 121.928 121.223 -0.107 0.000 2.056 406 L HA 0.027 4.368 4.340 0.002 0.000 0.207 406 L C 2.001 178.709 176.870 -0.270 0.000 1.078 406 L CA 1.329 56.067 54.840 -0.170 0.000 0.749 406 L CB -0.938 40.996 42.059 -0.207 0.000 0.901 406 L HN 0.163 nan 8.230 nan 0.000 0.433 407 A N -1.283 121.306 122.820 -0.385 0.000 1.940 407 A HA -0.172 4.149 4.320 0.002 0.000 0.219 407 A C 2.286 179.772 177.584 -0.163 0.000 1.176 407 A CA 2.078 53.834 52.037 -0.468 0.000 0.631 407 A CB -1.064 17.376 19.000 -0.933 0.000 0.814 407 A HN 0.301 nan 8.150 nan 0.000 0.446 408 V N -0.055 119.795 119.914 -0.107 0.000 2.270 408 V HA -0.250 3.871 4.120 0.002 0.000 0.245 408 V C 2.568 178.669 176.094 0.011 0.000 1.043 408 V CA 1.943 64.228 62.300 -0.025 0.000 1.014 408 V CB -0.758 30.974 31.823 -0.151 0.000 0.645 408 V HN 0.586 nan 8.190 nan 0.000 0.447 409 L N -0.504 120.688 121.223 -0.051 0.000 2.043 409 L HA -0.284 4.057 4.340 0.002 0.000 0.212 409 L C 2.599 179.491 176.870 0.037 0.000 1.075 409 L CA 2.295 57.123 54.840 -0.020 0.000 0.752 409 L CB -0.776 41.265 42.059 -0.029 0.000 0.891 409 L HN 0.515 nan 8.230 nan 0.000 0.432 410 H N -0.284 118.736 119.070 -0.084 0.000 2.270 410 H HA -0.152 4.405 4.556 0.002 0.000 0.299 410 H C 2.391 177.704 175.328 -0.025 0.000 1.077 410 H CA 2.058 58.050 56.048 -0.092 0.000 1.294 410 H CB -0.136 29.506 29.762 -0.200 0.000 1.371 410 H HN 0.168 nan 8.280 nan 0.000 0.491 411 S N -0.112 115.544 115.700 -0.073 0.000 2.359 411 S HA -0.204 4.267 4.470 0.002 0.000 0.222 411 S C 2.145 176.714 174.600 -0.051 0.000 1.038 411 S CA 1.590 59.739 58.200 -0.086 0.000 1.051 411 S CB -0.852 62.388 63.200 0.068 0.000 0.944 411 S HN 0.394 nan 8.310 nan 0.000 0.433 412 F N 1.533 121.425 119.950 -0.098 0.000 2.120 412 F HA -0.213 4.315 4.527 0.002 0.000 0.300 412 F C 2.912 178.655 175.800 -0.095 0.000 1.095 412 F CA 1.511 59.473 58.000 -0.063 0.000 1.249 412 F CB -0.341 38.644 39.000 -0.026 0.000 0.995 412 F HN 0.182 nan 8.300 nan 0.000 0.480 413 Q N -0.272 119.563 119.800 0.058 0.000 2.124 413 Q HA -0.214 4.127 4.340 0.002 0.000 0.202 413 Q C 2.070 178.004 176.000 -0.109 0.000 0.977 413 Q CA 1.269 57.053 55.803 -0.032 0.000 0.850 413 Q CB -0.286 28.423 28.738 -0.049 0.000 0.901 413 Q HN 0.365 nan 8.270 nan 0.000 0.429 414 L N -0.580 120.518 121.223 -0.209 0.000 2.156 414 L HA 0.020 4.361 4.340 0.002 0.000 0.208 414 L C 1.600 178.381 176.870 -0.148 0.000 1.095 414 L CA 1.701 56.405 54.840 -0.227 0.000 0.770 414 L CB -0.325 41.515 42.059 -0.365 0.000 0.914 414 L HN 0.135 nan 8.230 nan 0.000 0.439 415 A N -1.257 121.475 122.820 -0.147 0.000 2.307 415 A HA 0.099 4.420 4.320 0.002 0.000 0.218 415 A C 0.821 178.341 177.584 -0.107 0.000 1.228 415 A CA -0.127 51.828 52.037 -0.138 0.000 0.857 415 A CB -0.511 18.367 19.000 -0.203 0.000 0.897 415 A HN 0.413 nan 8.150 nan 0.000 0.495 416 K N -0.667 119.684 120.400 -0.082 0.000 3.257 416 K HA -0.129 4.192 4.320 0.002 0.000 0.270 416 K C -0.840 175.732 176.600 -0.046 0.000 0.984 416 K CA 0.673 56.925 56.287 -0.058 0.000 0.739 416 K CB -2.022 30.444 32.500 -0.057 0.000 1.351 416 K HN 0.261 nan 8.250 nan 0.000 0.463 417 V N 0.834 120.739 119.914 -0.016 0.000 2.495 417 V HA 0.166 4.287 4.120 0.002 0.000 0.298 417 V C 0.785 176.962 176.094 0.137 0.000 1.031 417 V CA -0.789 61.539 62.300 0.046 0.000 0.871 417 V CB 2.046 33.857 31.823 -0.019 0.000 0.988 417 V HN 0.279 nan 8.190 nan 0.000 0.432 418 T N 5.778 120.358 114.554 0.044 0.000 2.934 418 T HA 0.427 4.778 4.350 0.002 0.000 0.306 418 T C -0.282 174.425 174.700 0.011 0.000 1.042 418 T CA 0.975 63.001 62.100 -0.124 0.000 1.145 418 T CB -0.008 68.616 68.868 -0.406 0.000 0.982 418 T HN 0.566 nan 8.240 nan 0.000 0.544 419 I N 2.376 122.888 120.570 -0.096 0.000 2.800 419 I HA 0.510 4.681 4.170 0.002 0.000 0.294 419 I C -1.656 174.464 176.117 0.005 0.000 1.538 419 I CA -0.776 60.525 61.300 0.002 0.000 1.010 419 I CB 1.727 39.679 38.000 -0.080 0.000 1.381 419 I HN 0.435 nan 8.210 nan 0.000 0.462 420 V N 5.809 125.793 119.914 0.117 0.000 2.577 420 V HA 0.487 4.608 4.120 0.002 0.000 0.303 420 V C -1.029 175.115 176.094 0.084 0.000 1.042 420 V CA -0.279 62.095 62.300 0.123 0.000 0.872 420 V CB 2.095 34.076 31.823 0.264 0.000 0.998 420 V HN 0.861 nan 8.190 nan 0.000 0.423 421 D N 4.293 124.717 120.400 0.040 0.000 2.360 421 D HA 0.099 4.740 4.640 0.002 0.000 0.242 421 D C 1.277 177.568 176.300 -0.015 0.000 1.184 421 D CA 0.287 54.294 54.000 0.012 0.000 0.930 421 D CB 0.383 41.156 40.800 -0.044 0.000 1.161 421 D HN 0.746 nan 8.370 nan 0.000 0.447 422 H N -0.391 118.601 119.070 -0.130 0.000 2.521 422 H HA -0.102 4.455 4.556 0.002 0.000 0.286 422 H C 0.790 176.000 175.328 -0.198 0.000 1.034 422 H CA 1.124 57.059 56.048 -0.189 0.000 1.278 422 H CB -0.426 29.168 29.762 -0.280 0.000 1.386 422 H HN 0.514 nan 8.280 nan 0.000 0.567 423 H N 1.024 119.908 119.070 -0.310 0.000 2.329 423 H HA 0.227 4.784 4.556 0.002 0.000 0.306 423 H C 2.526 177.829 175.328 -0.042 0.000 1.062 423 H CA 1.170 57.120 56.048 -0.164 0.000 1.364 423 H CB -0.324 29.309 29.762 -0.214 0.000 1.409 423 H HN 0.459 nan 8.280 nan 0.000 0.519 424 A N 1.647 124.520 122.820 0.087 0.000 1.883 424 A HA -0.162 4.159 4.320 0.002 0.000 0.217 424 A C 2.675 180.326 177.584 0.111 0.000 1.186 424 A CA 2.097 54.187 52.037 0.089 0.000 0.624 424 A CB -0.941 18.102 19.000 0.072 0.000 0.822 424 A HN 0.440 nan 8.150 nan 0.000 0.444 425 A N -0.303 122.580 122.820 0.105 0.000 1.865 425 A HA -0.144 4.177 4.320 0.002 0.000 0.217 425 A C 2.475 180.150 177.584 0.151 0.000 1.191 425 A CA 2.816 54.934 52.037 0.135 0.000 0.623 425 A CB -1.526 17.542 19.000 0.114 0.000 0.826 425 A HN 0.821 nan 8.150 nan 0.000 0.444 426 T N -2.757 111.869 114.554 0.121 0.000 2.867 426 T HA -0.070 4.281 4.350 0.002 0.000 0.268 426 T C 1.684 176.505 174.700 0.202 0.000 1.057 426 T CA 1.305 63.498 62.100 0.156 0.000 1.136 426 T CB -0.712 68.216 68.868 0.101 0.000 0.874 426 T HN 0.046 nan 8.240 nan 0.000 0.466 427 V N 2.823 122.833 119.914 0.160 0.000 2.332 427 V HA -0.194 3.927 4.120 0.002 0.000 0.248 427 V C 3.221 179.403 176.094 0.147 0.000 1.055 427 V CA 2.218 64.603 62.300 0.142 0.000 1.038 427 V CB -0.933 30.957 31.823 0.112 0.000 0.651 427 V HN 0.816 nan 8.190 nan 0.000 0.450 428 S N -0.425 115.372 115.700 0.162 0.000 2.383 428 S HA -0.226 4.246 4.470 0.002 0.000 0.227 428 S C 1.981 176.694 174.600 0.189 0.000 1.026 428 S CA 1.554 59.850 58.200 0.160 0.000 0.981 428 S CB -0.760 62.542 63.200 0.171 0.000 0.818 428 S HN 0.491 nan 8.310 nan 0.000 0.472 429 F N 2.327 122.337 119.950 0.099 0.000 2.134 429 F HA 0.032 4.560 4.527 0.002 0.000 0.299 429 F C 2.337 178.222 175.800 0.142 0.000 1.097 429 F CA 1.279 59.348 58.000 0.116 0.000 1.264 429 F CB -0.372 38.673 39.000 0.076 0.000 1.001 429 F HN 0.093 nan 8.300 nan 0.000 0.479 430 M N 0.316 119.993 119.600 0.128 0.000 2.108 430 M HA -0.231 4.250 4.480 0.002 0.000 0.261 430 M C 2.070 178.353 176.300 -0.029 0.000 1.066 430 M CA 1.643 56.970 55.300 0.045 0.000 1.107 430 M CB -1.267 31.397 32.600 0.108 0.000 1.356 430 M HN 0.140 nan 8.290 nan 0.000 0.406 431 K N -1.282 119.125 120.400 0.011 0.000 2.057 431 K HA -0.208 4.113 4.320 0.002 0.000 0.207 431 K C 2.000 178.571 176.600 -0.048 0.000 1.049 431 K CA 1.490 57.775 56.287 -0.002 0.000 0.931 431 K CB -0.503 32.018 32.500 0.035 0.000 0.714 431 K HN 0.349 nan 8.250 nan 0.000 0.440 432 H N 1.421 120.394 119.070 -0.161 0.000 2.352 432 H HA -0.058 4.499 4.556 0.002 0.000 0.299 432 H C 1.879 177.033 175.328 -0.289 0.000 1.097 432 H CA 1.533 57.449 56.048 -0.220 0.000 1.311 432 H CB -0.224 29.346 29.762 -0.319 0.000 1.377 432 H HN 0.040 nan 8.280 nan 0.000 0.504 433 L N -0.360 120.600 121.223 -0.439 0.000 2.079 433 L HA -0.176 4.165 4.340 0.002 0.000 0.210 433 L C 2.220 178.947 176.870 -0.237 0.000 1.081 433 L CA 1.878 56.495 54.840 -0.372 0.000 0.752 433 L CB -0.408 41.497 42.059 -0.258 0.000 0.896 433 L HN 0.419 nan 8.230 nan 0.000 0.433 434 D N -0.343 119.954 120.400 -0.171 0.000 2.091 434 D HA -0.166 4.475 4.640 0.002 0.000 0.199 434 D C 1.949 178.173 176.300 -0.126 0.000 0.980 434 D CA 0.961 54.895 54.000 -0.111 0.000 0.831 434 D CB 0.166 40.927 40.800 -0.065 0.000 0.987 434 D HN 0.138 nan 8.370 nan 0.000 0.460 435 N N 0.673 119.285 118.700 -0.146 0.000 2.094 435 N HA -0.154 4.587 4.740 0.002 0.000 0.191 435 N C 1.577 176.992 175.510 -0.157 0.000 1.023 435 N CA 0.869 53.846 53.050 -0.122 0.000 0.857 435 N CB -0.264 38.167 38.487 -0.092 0.000 1.013 435 N HN 0.331 nan 8.380 nan 0.000 0.426 436 E N 0.591 120.616 120.200 -0.292 0.000 2.152 436 E HA -0.135 4.216 4.350 0.002 0.000 0.192 436 E C 1.901 178.408 176.600 -0.155 0.000 0.983 436 E CA 0.495 56.732 56.400 -0.272 0.000 0.818 436 E CB -0.134 29.305 29.700 -0.435 0.000 0.758 436 E HN 0.322 nan 8.360 nan 0.000 0.467 437 Q N 1.560 121.279 119.800 -0.136 0.000 2.061 437 Q HA -0.138 4.203 4.340 0.002 0.000 0.204 437 Q C 1.719 177.682 176.000 -0.062 0.000 0.984 437 Q CA 1.807 57.562 55.803 -0.080 0.000 0.846 437 Q CB 0.001 28.698 28.738 -0.069 0.000 0.902 437 Q HN 0.139 nan 8.270 nan 0.000 0.421 438 K N -0.905 119.457 120.400 -0.063 0.000 2.167 438 K HA 0.088 4.409 4.320 0.002 0.000 0.203 438 K C 1.971 178.547 176.600 -0.039 0.000 1.052 438 K CA 0.849 57.109 56.287 -0.045 0.000 0.956 438 K CB -0.059 32.417 32.500 -0.039 0.000 0.735 438 K HN 0.223 nan 8.250 nan 0.000 0.451 439 A N 1.395 124.189 122.820 -0.044 0.000 1.898 439 A HA -0.028 4.293 4.320 0.002 0.000 0.214 439 A C 1.788 179.355 177.584 -0.027 0.000 1.183 439 A CA 1.024 53.047 52.037 -0.023 0.000 0.622 439 A CB 0.027 19.026 19.000 -0.002 0.000 0.824 439 A HN 0.134 nan 8.150 nan 0.000 0.444 440 R N -2.300 118.173 120.500 -0.046 0.000 2.531 440 R HA 0.273 4.614 4.340 0.002 0.000 0.316 440 R C 0.737 177.014 176.300 -0.038 0.000 0.955 440 R CA 0.478 56.556 56.100 -0.037 0.000 1.120 440 R CB 0.704 30.980 30.300 -0.041 0.000 1.361 440 R HN 0.674 nan 8.270 nan 0.000 0.534 441 G N 0.950 109.723 108.800 -0.046 0.000 2.160 441 G HA2 -0.171 3.790 3.960 0.002 0.000 0.244 441 G HA3 -0.171 3.790 3.960 0.002 0.000 0.244 441 G C 0.204 175.092 174.900 -0.021 0.000 1.022 441 G CA 0.072 45.144 45.100 -0.047 0.000 0.741 441 G HN 0.724 nan 8.290 nan 0.000 0.508 442 G N -2.446 106.349 108.800 -0.008 0.000 2.352 442 G HA2 0.535 4.496 3.960 0.002 0.000 0.302 442 G HA3 0.535 4.496 3.960 0.002 0.000 0.302 442 G C -0.739 174.186 174.900 0.042 0.000 1.370 442 G CA 0.406 45.533 45.100 0.045 0.000 0.918 442 G HN 2.018 nan 8.290 nan 0.000 0.610 443 C N 2.048 121.401 119.300 0.087 0.000 2.817 443 C HA 0.729 5.190 4.460 0.002 0.000 0.385 443 C C -2.538 172.450 174.990 -0.003 0.000 1.050 443 C CA -1.129 57.898 59.018 0.016 0.000 1.245 443 C CB 1.316 29.005 27.740 -0.086 0.000 1.706 443 C HN 0.746 nan 8.230 nan 0.000 0.488 444 P HA 0.420 nan 4.420 nan 0.000 0.271 444 P C -0.653 176.563 177.300 -0.140 0.000 1.220 444 P CA 0.542 63.329 63.100 -0.521 0.000 0.768 444 P CB 1.157 32.301 31.700 -0.927 0.000 0.848 445 A N 2.571 125.362 122.820 -0.048 0.000 2.520 445 A HA 0.460 4.781 4.320 0.002 0.000 0.298 445 A C -1.215 176.408 177.584 0.066 0.000 1.051 445 A CA -0.545 51.543 52.037 0.084 0.000 0.690 445 A CB 1.427 20.588 19.000 0.268 0.000 1.281 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 1.562 121.993 120.400 0.051 0.000 2.454 446 D HA 0.182 4.823 4.640 0.002 0.000 0.225 446 D C 0.739 177.162 176.300 0.206 0.000 1.081 446 D CA -0.506 53.559 54.000 0.109 0.000 0.864 446 D CB 0.517 41.327 40.800 0.016 0.000 1.040 446 D HN 0.578 nan 8.370 nan 0.000 0.517 447 W N 4.254 125.593 121.300 0.065 0.000 2.302 447 W HA -0.300 4.361 4.660 0.002 0.000 0.320 447 W C 2.009 178.579 176.519 0.084 0.000 1.241 447 W CA 2.512 59.889 57.345 0.055 0.000 1.264 447 W CB -0.036 29.436 29.460 0.021 0.000 1.154 447 W HN 0.580 nan 8.180 nan 0.000 0.483 448 A N -1.327 121.813 122.820 0.535 0.000 2.024 448 A HA -0.218 4.103 4.320 0.002 0.000 0.220 448 A C 1.482 179.165 177.584 0.164 0.000 1.164 448 A CA 1.731 54.008 52.037 0.400 0.000 0.643 448 A CB -1.224 18.019 19.000 0.404 0.000 0.806 448 A HN 0.559 nan 8.150 nan 0.000 0.451 449 W N -0.980 120.303 121.300 -0.029 0.000 2.640 449 W HA 0.190 4.851 4.660 0.002 0.000 0.271 449 W C 1.891 178.295 176.519 -0.192 0.000 1.218 449 W CA -0.040 57.255 57.345 -0.082 0.000 1.382 449 W CB -0.091 29.343 29.460 -0.044 0.000 1.067 449 W HN 0.122 nan 8.180 nan 0.000 0.590 450 I N 0.102 120.632 120.570 -0.066 0.000 2.315 450 I HA -0.100 4.071 4.170 0.002 0.000 0.248 450 I C 0.652 176.564 176.117 -0.342 0.000 1.117 450 I CA 0.882 62.005 61.300 -0.294 0.000 1.404 450 I CB -1.581 36.168 38.000 -0.419 0.000 1.071 450 I HN -0.402 nan 8.210 nan 0.000 0.419 451 V N 3.874 123.508 119.914 -0.467 0.000 2.479 451 V HA 0.088 4.209 4.120 0.002 0.000 0.281 451 V C -1.861 174.057 176.094 -0.293 0.000 1.031 451 V CA -1.120 60.899 62.300 -0.468 0.000 1.038 451 V CB 0.122 31.464 31.823 -0.802 0.000 0.981 451 V HN 0.128 nan 8.190 nan 0.000 0.478 452 P HA 0.095 nan 4.420 nan 0.000 0.269 452 P C -1.739 175.419 177.300 -0.237 0.000 1.217 452 P CA -1.026 61.937 63.100 -0.229 0.000 0.783 452 P CB 0.018 31.579 31.700 -0.232 0.000 0.898 453 P HA -0.028 nan 4.420 nan 0.000 0.226 453 P C 0.269 177.445 177.300 -0.206 0.000 1.153 453 P CA 1.295 64.266 63.100 -0.216 0.000 0.777 453 P CB 0.022 31.590 31.700 -0.221 0.000 0.794 454 I N -6.836 113.573 120.570 -0.268 0.000 2.934 454 I HA 0.459 4.630 4.170 0.002 0.000 0.306 454 I C -0.163 175.823 176.117 -0.219 0.000 1.110 454 I CA -1.285 59.876 61.300 -0.232 0.000 1.019 454 I CB 2.031 39.877 38.000 -0.257 0.000 1.227 454 I HN -0.400 nan 8.210 nan 0.000 0.434 455 S N 2.238 117.862 115.700 -0.127 0.000 3.581 455 S HA -0.187 4.284 4.470 0.002 0.000 0.354 455 S C 1.321 175.869 174.600 -0.086 0.000 1.059 455 S CA 0.766 58.931 58.200 -0.059 0.000 1.060 455 S CB -1.653 61.590 63.200 0.072 0.000 0.908 455 S HN 1.246 nan 8.310 nan 0.000 0.475 456 G N 2.469 111.172 108.800 -0.161 0.000 2.628 456 G HA2 -0.326 3.635 3.960 0.002 0.000 0.217 456 G HA3 -0.326 3.635 3.960 0.002 0.000 0.217 456 G C 1.520 176.240 174.900 -0.301 0.000 1.240 456 G CA 1.596 46.580 45.100 -0.193 0.000 0.792 456 G HN 1.264 nan 8.290 nan 0.000 0.593 457 S N 0.558 115.818 115.700 -0.734 0.000 2.469 457 S HA 0.060 4.531 4.470 0.002 0.000 0.238 457 S C 2.193 176.787 174.600 -0.009 0.000 0.998 457 S CA 1.065 58.809 58.200 -0.760 0.000 0.957 457 S CB -0.302 62.370 63.200 -0.880 0.000 0.764 457 S HN 0.335 nan 8.310 nan 0.000 0.514 458 L N 1.955 123.187 121.223 0.015 0.000 2.478 458 L HA 0.106 4.447 4.340 0.002 0.000 0.223 458 L C 1.325 178.332 176.870 0.230 0.000 1.140 458 L CA 0.610 55.539 54.840 0.149 0.000 0.842 458 L CB -1.150 41.009 42.059 0.166 0.000 0.953 458 L HN 0.482 nan 8.230 nan 0.000 0.452 459 T N -4.088 110.585 114.554 0.199 0.000 2.929 459 T HA 0.297 4.648 4.350 0.002 0.000 0.284 459 T C -1.638 173.230 174.700 0.279 0.000 1.014 459 T CA -2.014 60.217 62.100 0.217 0.000 1.051 459 T CB 1.863 70.802 68.868 0.118 0.000 1.028 459 T HN -0.182 nan 8.240 nan 0.000 0.485 460 P HA -0.074 nan 4.420 nan 0.000 0.221 460 P C 1.797 179.276 177.300 0.298 0.000 1.150 460 P CA 0.951 64.236 63.100 0.310 0.000 0.800 460 P CB -0.312 31.520 31.700 0.221 0.000 0.787 461 V N -3.450 116.588 119.914 0.206 0.000 2.515 461 V HA -0.197 3.924 4.120 0.002 0.000 0.250 461 V C 2.405 178.556 176.094 0.095 0.000 1.058 461 V CA 1.241 63.626 62.300 0.141 0.000 1.064 461 V CB -2.288 29.547 31.823 0.020 0.000 0.675 461 V HN -0.110 nan 8.190 nan 0.000 0.461 462 F N 1.979 121.874 119.950 -0.092 0.000 2.154 462 F HA -0.207 4.320 4.527 0.001 0.000 0.301 462 F C 2.427 178.300 175.800 0.121 0.000 1.087 462 F CA 2.334 60.282 58.000 -0.086 0.000 1.274 462 F CB -0.364 38.487 39.000 -0.249 0.000 1.009 462 F HN 0.287 nan 8.300 nan 0.000 0.485 463 H N -0.942 118.373 119.070 0.408 0.000 2.539 463 H HA 0.111 4.668 4.556 0.002 0.000 0.267 463 H C 0.283 175.814 175.328 0.338 0.000 0.982 463 H CA 0.296 56.550 56.048 0.344 0.000 1.146 463 H CB -0.206 29.776 29.762 0.366 0.000 1.382 463 H HN 0.280 nan 8.280 nan 0.000 0.577 464 Q N 1.822 121.851 119.800 0.381 0.000 2.314 464 Q HA 0.168 4.509 4.340 0.002 0.000 0.259 464 Q C -0.531 175.684 176.000 0.358 0.000 0.951 464 Q CA -0.452 55.550 55.803 0.332 0.000 0.909 464 Q CB 0.978 29.880 28.738 0.273 0.000 1.236 464 Q HN 0.226 nan 8.270 nan 0.000 0.444 465 E N 3.286 123.660 120.200 0.289 0.000 2.390 465 E HA 0.302 4.653 4.350 0.002 0.000 0.261 465 E C -0.501 176.238 176.600 0.232 0.000 1.076 465 E CA 0.231 56.770 56.400 0.231 0.000 0.905 465 E CB 0.842 30.657 29.700 0.192 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.065 120.802 119.600 0.229 0.000 2.531 466 M HA 0.372 4.853 4.480 0.002 0.000 0.286 466 M C -1.276 175.134 176.300 0.183 0.000 1.232 466 M CA -0.962 54.474 55.300 0.226 0.000 0.877 466 M CB 2.415 35.193 32.600 0.297 0.000 1.726 466 M HN 0.144 nan 8.290 nan 0.000 0.463 467 V N 1.707 121.735 119.914 0.189 0.000 2.459 467 V HA 0.528 4.649 4.120 0.002 0.000 0.295 467 V C -0.842 175.347 176.094 0.159 0.000 1.029 467 V CA -0.681 61.758 62.300 0.231 0.000 0.874 467 V CB 1.787 33.820 31.823 0.350 0.000 0.985 467 V HN 0.834 nan 8.190 nan 0.000 0.438 468 N N 3.604 122.391 118.700 0.145 0.000 2.399 468 N HA 0.657 5.398 4.740 0.002 0.000 0.280 468 N C -1.260 174.292 175.510 0.071 0.000 1.008 468 N CA -0.479 52.554 53.050 -0.028 0.000 0.894 468 N CB 1.368 39.861 38.487 0.009 0.000 1.273 468 N HN 0.658 nan 8.380 nan 0.000 0.486 469 Y N 0.519 120.835 120.300 0.027 0.000 2.670 469 Y HA 0.597 5.148 4.550 0.002 0.000 0.334 469 Y C -0.963 174.938 175.900 0.001 0.000 1.185 469 Y CA -1.294 56.816 58.100 0.017 0.000 1.053 469 Y CB 0.878 39.354 38.460 0.027 0.000 1.298 469 Y HN 0.187 nan 8.280 nan 0.000 0.459 470 I N 3.348 124.006 120.570 0.147 0.000 2.297 470 I HA 0.331 4.502 4.170 0.002 0.000 0.291 470 I C -0.620 175.560 176.117 0.104 0.000 1.033 470 I CA -0.217 61.116 61.300 0.056 0.000 1.253 470 I CB 0.661 38.679 38.000 0.029 0.000 1.396 470 I HN 0.404 nan 8.210 nan 0.000 0.476 471 L N 4.925 126.182 121.223 0.056 0.000 2.352 471 L HA 0.588 4.929 4.340 0.002 0.000 0.269 471 L C 0.162 177.043 176.870 0.017 0.000 1.034 471 L CA -0.478 54.404 54.840 0.069 0.000 0.806 471 L CB 1.930 44.026 42.059 0.062 0.000 1.244 471 L HN 0.528 nan 8.230 nan 0.000 0.447 472 S N 1.329 117.049 115.700 0.033 0.000 2.538 472 S HA 0.587 5.058 4.470 0.002 0.000 0.288 472 S C -2.634 172.002 174.600 0.060 0.000 1.108 472 S CA -1.399 56.813 58.200 0.019 0.000 0.971 472 S CB 1.893 65.116 63.200 0.037 0.000 1.041 472 S HN 0.229 nan 8.310 nan 0.000 0.483 473 P HA 0.290 nan 4.420 nan 0.000 0.264 473 P C -1.231 175.983 177.300 -0.143 0.000 1.173 473 P CA 0.261 63.306 63.100 -0.091 0.000 0.761 473 P CB 0.385 32.000 31.700 -0.142 0.000 0.794 474 A N 2.597 125.300 122.820 -0.195 0.000 2.572 474 A HA 0.678 4.999 4.320 0.002 0.000 0.295 474 A C -1.483 175.950 177.584 -0.252 0.000 1.072 474 A CA -0.529 51.401 52.037 -0.179 0.000 0.691 474 A CB 0.916 19.860 19.000 -0.093 0.000 1.291 474 A HN 0.341 nan 8.150 nan 0.000 0.404 475 F N 1.111 120.985 119.950 -0.128 0.000 2.410 475 F HA 0.643 5.171 4.527 0.002 0.000 0.349 475 F C 0.971 176.666 175.800 -0.174 0.000 1.117 475 F CA 0.248 58.174 58.000 -0.124 0.000 1.104 475 F CB 1.672 40.568 39.000 -0.173 0.000 1.122 475 F HN 0.579 nan 8.300 nan 0.000 0.483 476 R N 1.572 122.100 120.500 0.045 0.000 2.912 476 R HA 0.498 4.839 4.340 0.002 0.000 0.262 476 R C -1.483 174.797 176.300 -0.033 0.000 1.057 476 R CA -1.132 54.911 56.100 -0.094 0.000 0.981 476 R CB 1.605 31.877 30.300 -0.046 0.000 1.201 476 R HN 0.387 nan 8.270 nan 0.000 0.484 477 Y N 1.065 121.384 120.300 0.032 0.000 2.316 477 Y HA 0.227 4.778 4.550 0.002 0.000 0.324 477 Y C 0.436 176.336 175.900 -0.001 0.000 1.267 477 Y CA -0.411 57.699 58.100 0.017 0.000 1.311 477 Y CB 0.931 39.388 38.460 -0.006 0.000 1.267 477 Y HN 0.427 nan 8.280 nan 0.000 0.516 478 Q N 0.914 120.807 119.800 0.156 0.000 2.456 478 Q HA 0.657 4.998 4.340 0.002 0.000 0.284 478 Q C -3.069 172.903 176.000 -0.047 0.000 1.061 478 Q CA -2.370 53.458 55.803 0.042 0.000 0.799 478 Q CB 1.736 30.494 28.738 0.033 0.000 1.445 478 Q HN 0.313 nan 8.270 nan 0.000 0.411 479 P HA 0.117 nan 4.420 nan 0.000 0.269 479 P C -1.041 176.056 177.300 -0.338 0.000 1.215 479 P CA -0.067 62.909 63.100 -0.207 0.000 0.780 479 P CB 0.359 31.950 31.700 -0.182 0.000 0.898 480 D N 2.771 122.831 120.400 -0.567 0.000 2.424 480 D HA 0.030 4.671 4.640 0.002 0.000 0.244 480 D C -1.294 174.437 176.300 -0.947 0.000 1.134 480 D CA -1.168 52.232 54.000 -1.001 0.000 0.881 480 D CB 0.162 39.898 40.800 -1.772 0.000 1.191 480 D HN 0.294 nan 8.370 nan 0.000 0.445 481 P HA 0.003 nan 4.420 nan 0.000 0.251 481 P C -0.499 176.560 177.300 -0.402 0.000 1.251 481 P CA 0.289 63.079 63.100 -0.516 0.000 0.763 481 P CB -0.302 31.164 31.700 -0.390 0.000 1.067 482 W N 0.000 120.998 121.300 -0.504 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.169 57.345 -0.293 0.000 1.226 482 W CB 0.000 29.212 29.460 -0.412 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535