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 1foi_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.293 176.600 -0.512 0.000 0.988 69 K CA 0.000 56.079 56.287 -0.347 0.000 0.838 69 K CB 0.000 32.224 32.500 -0.460 0.000 1.064 70 F N 3.745 123.716 119.950 0.035 0.000 2.411 70 F HA 0.417 4.945 4.527 0.002 0.000 0.352 70 F C -2.351 173.534 175.800 0.142 0.000 1.123 70 F CA -2.435 55.607 58.000 0.069 0.000 1.044 70 F CB 0.760 39.805 39.000 0.075 0.000 1.135 70 F HN -0.205 nan 8.300 nan 0.000 0.461 71 P HA 0.061 nan 4.420 nan 0.000 0.267 71 P C -0.617 176.752 177.300 0.116 0.000 1.205 71 P CA -0.386 62.802 63.100 0.148 0.000 0.765 71 P CB 0.558 32.318 31.700 0.100 0.000 0.828 72 R N 3.231 123.734 120.500 0.005 0.000 2.196 72 R HA 0.344 4.685 4.340 0.002 0.000 0.340 72 R C -1.189 174.984 176.300 -0.212 0.000 1.043 72 R CA -0.485 55.420 56.100 -0.324 0.000 0.883 72 R CB 0.211 30.358 30.300 -0.255 0.000 1.078 72 R HN 0.218 nan 8.270 nan 0.000 0.462 73 V N 5.523 125.295 119.914 -0.235 0.000 2.370 73 V HA 0.297 4.418 4.120 0.002 0.000 0.279 73 V C 0.021 176.032 176.094 -0.139 0.000 1.029 73 V CA -0.554 61.685 62.300 -0.102 0.000 0.870 73 V CB 1.150 32.959 31.823 -0.023 0.000 0.984 73 V HN 0.714 nan 8.190 nan 0.000 0.451 74 K N 4.222 124.558 120.400 -0.108 0.000 2.207 74 K HA 0.406 4.727 4.320 0.002 0.000 0.255 74 K C -0.604 175.917 176.600 -0.132 0.000 0.941 74 K CA -0.727 55.431 56.287 -0.215 0.000 0.825 74 K CB 1.496 33.727 32.500 -0.447 0.000 1.119 74 K HN 0.691 nan 8.250 nan 0.000 0.430 75 N N 3.979 122.594 118.700 -0.142 0.000 2.437 75 N HA 0.100 4.841 4.740 0.002 0.000 0.259 75 N C -0.261 175.214 175.510 -0.058 0.000 0.983 75 N CA -0.365 52.703 53.050 0.030 0.000 0.937 75 N CB 0.502 39.025 38.487 0.059 0.000 1.122 75 N HN 0.674 nan 8.380 nan 0.000 0.499 76 W N 2.114 123.491 121.300 0.128 0.000 2.678 76 W HA 0.114 4.775 4.660 0.002 0.000 0.256 76 W C 2.076 178.640 176.519 0.076 0.000 1.280 76 W CA -0.043 57.368 57.345 0.110 0.000 1.345 76 W CB 0.224 29.773 29.460 0.148 0.000 1.118 76 W HN 0.668 nan 8.180 nan 0.000 0.629 77 E N 0.456 120.797 120.200 0.235 0.000 2.076 77 E HA -0.111 4.240 4.350 0.002 0.000 0.190 77 E C 1.682 178.308 176.600 0.043 0.000 0.979 77 E CA 1.032 57.472 56.400 0.066 0.000 0.807 77 E CB -0.171 29.536 29.700 0.013 0.000 0.761 77 E HN 0.265 nan 8.360 nan 0.000 0.454 78 L N -1.072 120.176 121.223 0.042 0.000 2.590 78 L HA 0.336 4.677 4.340 0.002 0.000 0.227 78 L C 1.506 178.359 176.870 -0.029 0.000 1.099 78 L CA 0.372 55.217 54.840 0.009 0.000 0.872 78 L CB 0.604 42.672 42.059 0.016 0.000 1.088 78 L HN 0.386 nan 8.230 nan 0.000 0.479 79 G N 0.766 109.523 108.800 -0.072 0.000 2.162 79 G HA2 -0.308 3.653 3.960 0.002 0.000 0.260 79 G HA3 -0.308 3.653 3.960 0.002 0.000 0.260 79 G C 0.370 175.183 174.900 -0.144 0.000 0.976 79 G CA 0.468 45.483 45.100 -0.142 0.000 0.655 79 G HN 0.461 nan 8.290 nan 0.000 0.533 80 S N -0.561 115.075 115.700 -0.107 0.000 2.601 80 S HA 0.786 5.257 4.470 0.002 0.000 0.271 80 S C 0.066 174.587 174.600 -0.131 0.000 1.305 80 S CA -0.512 57.633 58.200 -0.091 0.000 1.022 80 S CB 2.313 65.484 63.200 -0.048 0.000 0.940 80 S HN 0.560 nan 8.310 nan 0.000 0.525 81 I N 1.419 121.915 120.570 -0.123 0.000 2.730 81 I HA 0.574 4.745 4.170 0.002 0.000 0.298 81 I C -0.127 175.896 176.117 -0.155 0.000 1.089 81 I CA -0.467 60.726 61.300 -0.179 0.000 1.041 81 I CB 2.738 40.605 38.000 -0.221 0.000 1.235 81 I HN 0.989 nan 8.210 nan 0.000 0.423 82 T N 0.549 114.969 114.554 -0.224 0.000 2.864 82 T HA 0.623 4.974 4.350 0.002 0.000 0.299 82 T C -1.384 173.139 174.700 -0.295 0.000 1.166 82 T CA -0.797 61.221 62.100 -0.137 0.000 1.007 82 T CB 1.554 70.396 68.868 -0.043 0.000 1.219 82 T HN 0.266 nan 8.240 nan 0.000 0.506 83 Y N 0.349 120.650 120.300 0.002 0.000 2.364 83 Y HA 0.488 5.039 4.550 0.002 0.000 0.340 83 Y C 0.047 175.973 175.900 0.043 0.000 0.975 83 Y CA -0.984 57.133 58.100 0.028 0.000 1.089 83 Y CB 1.671 40.130 38.460 -0.002 0.000 1.192 83 Y HN 0.717 nan 8.280 nan 0.000 0.454 84 D N 2.151 122.678 120.400 0.211 0.000 2.380 84 D HA 0.065 4.706 4.640 0.002 0.000 0.230 84 D C 0.748 177.198 176.300 0.250 0.000 1.154 84 D CA 0.108 54.219 54.000 0.185 0.000 0.859 84 D CB 1.156 42.063 40.800 0.178 0.000 1.045 84 D HN 0.802 nan 8.370 nan 0.000 0.495 85 T N 1.086 115.758 114.554 0.196 0.000 3.044 85 T HA -0.054 4.297 4.350 0.002 0.000 0.250 85 T C 1.837 176.644 174.700 0.178 0.000 1.081 85 T CA -0.195 62.083 62.100 0.297 0.000 1.040 85 T CB 0.109 68.947 68.868 -0.050 0.000 0.962 85 T HN 0.251 nan 8.240 nan 0.000 0.506 86 L N 2.412 123.682 121.223 0.078 0.000 2.093 86 L HA 0.050 4.391 4.340 0.002 0.000 0.208 86 L C 2.715 179.472 176.870 -0.189 0.000 1.085 86 L CA 1.359 56.215 54.840 0.027 0.000 0.755 86 L CB -0.971 41.166 42.059 0.131 0.000 0.904 86 L HN 0.668 nan 8.230 nan 0.000 0.435 87 C N -1.317 117.659 119.300 -0.539 0.000 2.401 87 C HA -0.056 4.405 4.460 0.002 0.000 0.286 87 C C 2.759 177.459 174.990 -0.483 0.000 1.332 87 C CA 0.272 58.605 59.018 -1.142 0.000 1.795 87 C CB -2.291 24.824 27.740 -1.041 0.000 1.922 87 C HN 0.574 nan 8.230 nan 0.000 0.520 88 A N 0.079 122.763 122.820 -0.227 0.000 2.121 88 A HA -0.073 4.248 4.320 0.002 0.000 0.218 88 A C 2.314 179.848 177.584 -0.083 0.000 1.154 88 A CA 1.285 53.238 52.037 -0.140 0.000 0.679 88 A CB -0.455 18.523 19.000 -0.037 0.000 0.795 88 A HN 0.742 nan 8.150 nan 0.000 0.458 89 Q N 0.111 119.870 119.800 -0.068 0.000 2.435 89 Q HA 0.030 4.371 4.340 0.002 0.000 0.207 89 Q C 0.823 176.825 176.000 0.002 0.000 0.956 89 Q CA 0.380 56.177 55.803 -0.009 0.000 0.917 89 Q CB -0.327 28.428 28.738 0.027 0.000 0.997 89 Q HN 0.521 nan 8.270 nan 0.000 0.497 90 S N 1.031 116.712 115.700 -0.032 0.000 2.537 90 S HA -0.017 4.455 4.470 0.002 0.000 0.286 90 S C 0.915 175.524 174.600 0.015 0.000 1.299 90 S CA 0.054 58.268 58.200 0.024 0.000 1.067 90 S CB 0.514 63.729 63.200 0.025 0.000 0.864 90 S HN 0.139 nan 8.310 nan 0.000 0.494 91 Q N 2.091 121.911 119.800 0.034 0.000 2.280 91 Q HA 0.202 4.543 4.340 0.002 0.000 0.228 91 Q C 0.001 176.015 176.000 0.024 0.000 0.857 91 Q CA 0.141 55.959 55.803 0.025 0.000 0.939 91 Q CB 0.463 29.221 28.738 0.032 0.000 1.114 91 Q HN 0.781 nan 8.270 nan 0.000 0.514 92 Q N 1.190 121.009 119.800 0.032 0.000 2.312 92 Q HA 0.259 4.600 4.340 0.002 0.000 0.263 92 Q C -1.308 174.711 176.000 0.031 0.000 0.995 92 Q CA -0.289 55.530 55.803 0.026 0.000 0.853 92 Q CB 1.307 30.059 28.738 0.022 0.000 1.300 92 Q HN -0.185 nan 8.270 nan 0.000 0.448 93 D N 2.027 122.441 120.400 0.023 0.000 2.302 93 D HA 0.450 5.091 4.640 0.002 0.000 0.248 93 D C -0.029 176.288 176.300 0.029 0.000 1.094 93 D CA 0.220 54.235 54.000 0.024 0.000 0.897 93 D CB 1.381 42.190 40.800 0.016 0.000 1.200 93 D HN 0.688 nan 8.370 nan 0.000 0.429 94 G N 0.893 109.715 108.800 0.035 0.000 2.532 94 G HA2 0.360 4.321 3.960 0.002 0.000 0.291 94 G HA3 0.360 4.321 3.960 0.002 0.000 0.291 94 G C -1.584 173.334 174.900 0.031 0.000 1.349 94 G CA -0.671 44.451 45.100 0.037 0.000 1.038 94 G HN 0.359 nan 8.290 nan 0.000 0.518 95 P HA 0.163 nan 4.420 nan 0.000 0.251 95 P C 0.304 177.619 177.300 0.025 0.000 1.223 95 P CA -0.054 63.063 63.100 0.028 0.000 0.796 95 P CB 0.182 31.902 31.700 0.033 0.000 1.068 96 C N 0.820 120.137 119.300 0.028 0.000 2.500 96 C HA 0.622 5.083 4.460 0.002 0.000 0.367 96 C C 1.009 176.009 174.990 0.017 0.000 1.283 96 C CA 0.232 59.264 59.018 0.024 0.000 2.456 96 C CB 0.885 28.642 27.740 0.028 0.000 2.457 96 C HN 0.386 nan 8.230 nan 0.000 0.632 97 T N -1.823 112.738 114.554 0.012 0.000 2.821 97 T HA 0.390 4.741 4.350 0.002 0.000 0.306 97 T C -2.546 172.157 174.700 0.005 0.000 1.313 97 T CA -0.985 61.119 62.100 0.007 0.000 1.012 97 T CB 1.217 70.089 68.868 0.005 0.000 1.298 97 T HN 0.250 nan 8.240 nan 0.000 0.502 98 P HA -0.019 nan 4.420 nan 0.000 0.218 98 P C 1.524 178.825 177.300 0.001 0.000 1.148 98 P CA 0.741 63.841 63.100 0.000 0.000 0.822 98 P CB 0.109 31.808 31.700 -0.002 0.000 0.784 99 R N -0.091 120.410 120.500 0.001 0.000 2.092 99 R HA -0.069 4.272 4.340 0.002 0.000 0.231 99 R C 0.535 176.836 176.300 0.001 0.000 1.119 99 R CA 0.992 57.092 56.100 0.001 0.000 0.970 99 R CB 0.128 30.428 30.300 0.001 0.000 0.864 99 R HN 0.081 nan 8.270 nan 0.000 0.440 100 R N -0.289 120.213 120.500 0.003 0.000 2.604 100 R HA 0.132 4.473 4.340 0.002 0.000 0.261 100 R C -1.832 174.472 176.300 0.007 0.000 1.080 100 R CA -0.746 55.356 56.100 0.003 0.000 0.917 100 R CB -0.066 30.236 30.300 0.004 0.000 1.252 100 R HN 0.094 nan 8.270 nan 0.000 0.456 101 C N 3.826 123.130 119.300 0.007 0.000 2.369 101 C HA 0.601 5.062 4.460 0.002 0.000 0.358 101 C C 0.753 175.755 174.990 0.019 0.000 1.274 101 C CA -0.646 58.380 59.018 0.013 0.000 1.935 101 C CB -0.741 27.003 27.740 0.007 0.000 2.431 101 C HN 0.767 nan 8.230 nan 0.000 0.545 102 L N 5.665 126.904 121.223 0.028 0.000 3.110 102 L HA 0.293 4.634 4.340 0.002 0.000 0.266 102 L C 2.062 178.964 176.870 0.053 0.000 1.257 102 L CA 0.245 55.106 54.840 0.036 0.000 1.038 102 L CB -0.091 41.987 42.059 0.032 0.000 1.395 102 L HN 1.023 nan 8.230 nan 0.000 0.566 103 G N 0.433 109.268 108.800 0.057 0.000 2.479 103 G HA2 -0.278 3.683 3.960 0.002 0.000 0.220 103 G HA3 -0.278 3.683 3.960 0.002 0.000 0.220 103 G C 1.632 176.605 174.900 0.123 0.000 1.115 103 G CA 1.213 46.362 45.100 0.082 0.000 0.757 103 G HN 0.517 nan 8.290 nan 0.000 0.560 104 S N -0.532 115.234 115.700 0.110 0.000 2.527 104 S HA 0.252 4.723 4.470 0.002 0.000 0.222 104 S C 0.779 175.468 174.600 0.149 0.000 0.985 104 S CA -0.347 57.936 58.200 0.139 0.000 0.921 104 S CB -0.080 63.176 63.200 0.094 0.000 0.772 104 S HN -0.003 nan 8.310 nan 0.000 0.529 105 L N 2.421 123.713 121.223 0.116 0.000 2.410 105 L HA 0.214 4.555 4.340 0.002 0.000 0.273 105 L C 1.396 178.355 176.870 0.147 0.000 1.152 105 L CA 0.175 55.077 54.840 0.103 0.000 0.855 105 L CB 0.664 42.762 42.059 0.064 0.000 1.129 105 L HN -0.012 nan 8.230 nan 0.000 0.463 106 V N 3.566 123.573 119.914 0.156 0.000 2.283 106 V HA -0.091 4.030 4.120 0.002 0.000 0.243 106 V C 0.864 176.988 176.094 0.050 0.000 1.039 106 V CA 1.146 63.569 62.300 0.205 0.000 1.016 106 V CB -0.358 31.586 31.823 0.203 0.000 0.650 106 V HN 0.481 nan 8.190 nan 0.000 0.449 107 L N -0.167 121.034 121.223 -0.036 0.000 2.334 107 L HA 0.477 4.818 4.340 0.002 0.000 0.272 107 L C -2.390 174.482 176.870 0.004 0.000 1.020 107 L CA -1.861 52.920 54.840 -0.098 0.000 0.812 107 L CB 0.967 42.909 42.059 -0.195 0.000 1.264 107 L HN 0.065 nan 8.230 nan 0.000 0.439 108 P HA 0.203 nan 4.420 nan 0.000 0.274 108 P C -0.168 177.142 177.300 0.016 0.000 1.237 108 P CA -0.540 62.585 63.100 0.043 0.000 0.793 108 P CB 0.904 32.643 31.700 0.065 0.000 0.977 109 R N 1.564 122.073 120.500 0.014 0.000 2.156 109 R HA 0.056 4.397 4.340 0.002 0.000 0.207 109 R C 1.422 177.723 176.300 0.003 0.000 1.040 109 R CA 1.550 57.653 56.100 0.005 0.000 1.013 109 R CB -0.043 30.261 30.300 0.006 0.000 0.931 109 R HN 0.209 nan 8.270 nan 0.000 0.465 110 K N -1.617 118.788 120.400 0.008 0.000 2.544 110 K HA 0.223 4.544 4.320 0.002 0.000 0.213 110 K C 0.283 176.889 176.600 0.010 0.000 1.392 110 K CA 0.197 56.487 56.287 0.006 0.000 0.980 110 K CB 0.246 32.749 32.500 0.005 0.000 1.177 110 K HN 0.056 nan 8.250 nan 0.000 0.570 111 L N 2.557 123.791 121.223 0.019 0.000 2.821 111 L HA 0.121 4.462 4.340 0.002 0.000 0.254 111 L C 0.951 177.839 176.870 0.031 0.000 1.151 111 L CA 0.729 55.583 54.840 0.024 0.000 0.937 111 L CB -1.450 40.629 42.059 0.033 0.000 1.141 111 L HN 0.280 nan 8.230 nan 0.000 0.425 112 Q N -0.070 119.743 119.800 0.022 0.000 2.631 112 Q HA 0.142 4.483 4.340 0.002 0.000 0.184 112 Q C -0.031 175.975 176.000 0.010 0.000 1.157 112 Q CA 0.541 56.358 55.803 0.022 0.000 1.241 112 Q CB 0.465 29.203 28.738 0.000 0.000 1.343 112 Q HN 0.204 nan 8.270 nan 0.000 0.671 113 T N 1.972 116.525 114.554 -0.001 0.000 3.141 113 T HA 0.375 4.726 4.350 0.002 0.000 0.377 113 T C -0.782 173.905 174.700 -0.023 0.000 1.258 113 T CA -0.652 61.441 62.100 -0.011 0.000 1.263 113 T CB 0.399 69.262 68.868 -0.009 0.000 1.066 113 T HN 0.293 nan 8.240 nan 0.000 0.546 114 R N 2.631 123.118 120.500 -0.022 0.000 2.758 114 R HA 0.159 4.500 4.340 0.002 0.000 0.263 114 R C -2.076 174.207 176.300 -0.028 0.000 1.010 114 R CA -1.264 54.821 56.100 -0.025 0.000 1.114 114 R CB -0.225 30.063 30.300 -0.020 0.000 0.985 114 R HN 0.353 nan 8.270 nan 0.000 0.439 115 P HA -0.092 nan 4.420 nan 0.000 0.272 115 P C -0.030 177.255 177.300 -0.025 0.000 1.225 115 P CA 0.401 63.484 63.100 -0.027 0.000 0.800 115 P CB 0.453 32.139 31.700 -0.024 0.000 0.894 116 S N 0.535 116.220 115.700 -0.025 0.000 2.668 116 S HA 0.248 4.719 4.470 0.002 0.000 0.244 116 S C -1.471 173.118 174.600 -0.019 0.000 1.140 116 S CA -1.115 57.069 58.200 -0.027 0.000 1.134 116 S CB -0.419 62.758 63.200 -0.038 0.000 0.954 116 S HN 0.308 nan 8.310 nan 0.000 0.490 117 P HA 0.152 nan 4.420 nan 0.000 0.223 117 P C 0.794 178.090 177.300 -0.006 0.000 1.151 117 P CA 0.602 63.697 63.100 -0.008 0.000 0.787 117 P CB -0.087 31.609 31.700 -0.006 0.000 0.788 118 G N 1.144 109.938 108.800 -0.009 0.000 2.448 118 G HA2 0.520 4.482 3.960 0.002 0.000 0.324 118 G HA3 0.520 4.482 3.960 0.002 0.000 0.324 118 G C -2.898 171.997 174.900 -0.009 0.000 1.203 118 G CA -1.623 43.473 45.100 -0.006 0.000 0.954 118 G HN -0.108 nan 8.290 nan 0.000 0.480 119 P HA 0.198 nan 4.420 nan 0.000 0.268 119 P C -2.298 174.998 177.300 -0.006 0.000 1.204 119 P CA -0.760 62.337 63.100 -0.006 0.000 0.768 119 P CB 0.848 32.550 31.700 0.002 0.000 0.842 120 P HA 0.245 nan 4.420 nan 0.000 0.271 120 P C -2.501 174.801 177.300 0.004 0.000 1.218 120 P CA -1.617 61.479 63.100 -0.006 0.000 0.780 120 P CB -0.905 30.787 31.700 -0.013 0.000 0.901 121 P HA -0.074 nan 4.420 nan 0.000 0.255 121 P C 1.031 178.340 177.300 0.015 0.000 1.161 121 P CA 0.481 63.586 63.100 0.009 0.000 0.768 121 P CB -0.044 31.660 31.700 0.007 0.000 0.746 122 A N 4.755 127.585 122.820 0.017 0.000 1.927 122 A HA -0.289 4.032 4.320 0.002 0.000 0.220 122 A C 1.955 179.552 177.584 0.020 0.000 1.185 122 A CA 1.780 53.831 52.037 0.022 0.000 0.639 122 A CB -0.768 18.244 19.000 0.020 0.000 0.820 122 A HN 0.591 nan 8.150 nan 0.000 0.451 123 E N -1.327 118.882 120.200 0.015 0.000 2.077 123 E HA -0.256 4.095 4.350 0.002 0.000 0.193 123 E C 2.285 178.895 176.600 0.017 0.000 0.989 123 E CA 1.395 57.803 56.400 0.013 0.000 0.800 123 E CB -0.148 29.558 29.700 0.009 0.000 0.746 123 E HN 0.712 nan 8.360 nan 0.000 0.452 124 Q N 1.173 120.984 119.800 0.018 0.000 2.016 124 Q HA -0.167 4.174 4.340 0.002 0.000 0.200 124 Q C 2.125 178.145 176.000 0.033 0.000 0.978 124 Q CA 1.134 56.950 55.803 0.022 0.000 0.833 124 Q CB -0.443 28.304 28.738 0.016 0.000 0.895 124 Q HN 0.246 nan 8.270 nan 0.000 0.427 125 L N -0.064 121.182 121.223 0.039 0.000 2.042 125 L HA -0.130 4.211 4.340 0.002 0.000 0.210 125 L C 2.101 179.015 176.870 0.074 0.000 1.076 125 L CA 1.780 56.660 54.840 0.067 0.000 0.749 125 L CB -1.064 41.041 42.059 0.076 0.000 0.893 125 L HN 0.461 nan 8.230 nan 0.000 0.432 126 L N -0.521 120.726 121.223 0.039 0.000 2.046 126 L HA -0.180 4.161 4.340 0.002 0.000 0.208 126 L C 2.773 179.652 176.870 0.015 0.000 1.077 126 L CA 2.148 56.992 54.840 0.006 0.000 0.747 126 L CB -0.930 41.127 42.059 -0.003 0.000 0.896 126 L HN 0.637 nan 8.230 nan 0.000 0.432 127 S N -1.789 113.929 115.700 0.029 0.000 2.383 127 S HA -0.223 4.248 4.470 0.002 0.000 0.227 127 S C 1.885 176.523 174.600 0.064 0.000 1.026 127 S CA 1.075 59.298 58.200 0.038 0.000 0.981 127 S CB -0.580 62.639 63.200 0.032 0.000 0.818 127 S HN 0.643 nan 8.310 nan 0.000 0.472 128 Q N 1.086 120.931 119.800 0.076 0.000 2.079 128 Q HA 0.102 4.443 4.340 0.002 0.000 0.200 128 Q C 2.636 178.736 176.000 0.166 0.000 0.974 128 Q CA 1.327 57.194 55.803 0.108 0.000 0.840 128 Q CB -0.510 28.282 28.738 0.091 0.000 0.898 128 Q HN 0.765 nan 8.270 nan 0.000 0.430 129 A N 1.192 124.099 122.820 0.144 0.000 1.902 129 A HA -0.193 4.128 4.320 0.002 0.000 0.217 129 A C 1.996 179.660 177.584 0.133 0.000 1.181 129 A CA 1.262 53.384 52.037 0.141 0.000 0.623 129 A CB -0.377 18.509 19.000 -0.190 0.000 0.818 129 A HN 0.189 nan 8.150 nan 0.000 0.443 130 R N -0.690 119.853 120.500 0.072 0.000 2.081 130 R HA -0.168 4.173 4.340 0.002 0.000 0.235 130 R C 2.042 178.422 176.300 0.135 0.000 1.131 130 R CA 1.684 57.833 56.100 0.082 0.000 0.960 130 R CB -0.418 29.909 30.300 0.045 0.000 0.856 130 R HN 0.719 nan 8.270 nan 0.000 0.436 131 D N -0.068 120.420 120.400 0.145 0.000 2.097 131 D HA -0.212 4.429 4.640 0.002 0.000 0.195 131 D C 1.651 178.075 176.300 0.208 0.000 0.989 131 D CA 1.056 55.150 54.000 0.156 0.000 0.827 131 D CB -0.073 40.814 40.800 0.146 0.000 0.966 131 D HN 0.117 nan 8.370 nan 0.000 0.456 132 F N 0.945 120.979 119.950 0.140 0.000 2.075 132 F HA -0.108 4.420 4.527 0.002 0.000 0.297 132 F C 2.015 177.946 175.800 0.218 0.000 1.113 132 F CA 1.156 59.272 58.000 0.193 0.000 1.218 132 F CB -0.366 38.752 39.000 0.197 0.000 0.984 132 F HN -0.010 nan 8.300 nan 0.000 0.472 133 I N 0.964 121.553 120.570 0.033 0.000 2.264 133 I HA -0.320 3.851 4.170 0.002 0.000 0.248 133 I C 2.031 178.149 176.117 0.002 0.000 1.111 133 I CA 1.246 62.540 61.300 -0.009 0.000 1.382 133 I CB -1.594 36.515 38.000 0.181 0.000 1.060 133 I HN 0.276 nan 8.210 nan 0.000 0.418 134 N N 0.826 119.565 118.700 0.065 0.000 2.120 134 N HA -0.180 4.562 4.740 0.002 0.000 0.188 134 N C 1.852 177.312 175.510 -0.083 0.000 1.024 134 N CA 1.104 54.183 53.050 0.047 0.000 0.852 134 N CB -0.263 38.303 38.487 0.133 0.000 1.003 134 N HN 0.507 nan 8.380 nan 0.000 0.424 135 Q N -0.462 119.303 119.800 -0.057 0.000 2.050 135 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 135 Q C 1.836 177.631 176.000 -0.342 0.000 0.980 135 Q CA 1.325 57.104 55.803 -0.040 0.000 0.840 135 Q CB -0.292 28.561 28.738 0.191 0.000 0.898 135 Q HN 0.440 nan 8.270 nan 0.000 0.424 136 Y N 0.189 120.042 120.300 -0.744 0.000 2.070 136 Y HA -0.321 4.230 4.550 0.002 0.000 0.280 136 Y C 1.783 177.140 175.900 -0.905 0.000 1.148 136 Y CA 1.783 59.143 58.100 -1.233 0.000 1.125 136 Y CB -0.611 37.200 38.460 -1.083 0.000 0.975 136 Y HN 0.096 nan 8.280 nan 0.000 0.492 137 Y N -0.731 119.142 120.300 -0.712 0.000 2.403 137 Y HA -0.191 4.360 4.550 0.002 0.000 0.291 137 Y C 2.983 178.554 175.900 -0.549 0.000 1.143 137 Y CA 1.543 59.223 58.100 -0.701 0.000 1.257 137 Y CB -0.465 37.528 38.460 -0.779 0.000 0.984 137 Y HN 0.238 nan 8.280 nan 0.000 0.550 138 S N -0.752 114.734 115.700 -0.356 0.000 2.406 138 S HA -0.158 4.313 4.470 0.002 0.000 0.228 138 S C 2.303 176.749 174.600 -0.257 0.000 1.020 138 S CA 1.191 59.260 58.200 -0.219 0.000 0.965 138 S CB -0.503 62.620 63.200 -0.128 0.000 0.798 138 S HN 0.562 nan 8.310 nan 0.000 0.488 139 S N 2.017 117.459 115.700 -0.430 0.000 2.406 139 S HA -0.005 4.466 4.470 0.002 0.000 0.228 139 S C 1.625 176.011 174.600 -0.356 0.000 1.020 139 S CA 0.907 58.894 58.200 -0.356 0.000 0.965 139 S CB -0.908 61.984 63.200 -0.514 0.000 0.798 139 S HN 0.792 nan 8.310 nan 0.000 0.488 140 I N -1.941 118.317 120.570 -0.520 0.000 3.855 140 I HA 0.407 4.578 4.170 0.002 0.000 0.327 140 I C -0.211 175.769 176.117 -0.228 0.000 1.359 140 I CA -0.646 60.420 61.300 -0.389 0.000 1.142 140 I CB -0.690 36.985 38.000 -0.541 0.000 1.041 140 I HN -0.001 nan 8.210 nan 0.000 0.403 141 K N 2.147 122.436 120.400 -0.185 0.000 3.148 141 K HA -0.173 4.148 4.320 0.002 0.000 0.267 141 K C -0.043 176.520 176.600 -0.062 0.000 0.996 141 K CA 0.613 56.839 56.287 -0.101 0.000 0.737 141 K CB -1.354 31.102 32.500 -0.073 0.000 1.308 141 K HN 0.633 nan 8.250 nan 0.000 0.470 142 R N -0.050 120.423 120.500 -0.045 0.000 2.637 142 R HA 0.075 4.416 4.340 0.002 0.000 0.446 142 R C -0.253 176.094 176.300 0.078 0.000 1.024 142 R CA -0.312 55.814 56.100 0.043 0.000 1.080 142 R CB 1.314 31.688 30.300 0.123 0.000 1.421 142 R HN 0.124 nan 8.270 nan 0.000 0.593 143 S N -0.126 115.598 115.700 0.040 0.000 2.533 143 S HA 0.311 4.782 4.470 0.002 0.000 0.282 143 S C 1.397 176.099 174.600 0.170 0.000 1.304 143 S CA 1.462 59.738 58.200 0.126 0.000 1.063 143 S CB 0.723 63.959 63.200 0.061 0.000 0.881 143 S HN 0.720 nan 8.310 nan 0.000 0.493 144 G N 3.317 112.293 108.800 0.294 0.000 2.253 144 G HA2 -0.312 3.649 3.960 0.002 0.000 0.251 144 G HA3 -0.312 3.649 3.960 0.002 0.000 0.251 144 G C 0.420 175.300 174.900 -0.034 0.000 0.998 144 G CA 0.486 45.595 45.100 0.015 0.000 0.621 144 G HN 1.649 nan 8.290 nan 0.000 0.524 145 S N -0.182 115.520 115.700 0.003 0.000 2.592 145 S HA 0.264 4.735 4.470 0.002 0.000 0.256 145 S C 1.364 175.920 174.600 -0.074 0.000 1.369 145 S CA 0.995 59.180 58.200 -0.026 0.000 0.984 145 S CB 0.870 64.073 63.200 0.005 0.000 0.919 145 S HN 0.668 nan 8.310 nan 0.000 0.576 146 Q N 0.542 120.309 119.800 -0.055 0.000 2.046 146 Q HA -0.099 4.242 4.340 0.002 0.000 0.200 146 Q C 2.367 178.315 176.000 -0.087 0.000 0.975 146 Q CA 1.404 57.169 55.803 -0.064 0.000 0.836 146 Q CB -0.809 27.911 28.738 -0.031 0.000 0.896 146 Q HN 0.920 nan 8.270 nan 0.000 0.428 147 A N 0.365 123.147 122.820 -0.064 0.000 1.908 147 A HA -0.281 4.040 4.320 0.002 0.000 0.218 147 A C 1.892 179.280 177.584 -0.327 0.000 1.181 147 A CA 1.882 53.886 52.037 -0.055 0.000 0.627 147 A CB -1.196 17.882 19.000 0.130 0.000 0.818 147 A HN 0.733 nan 8.150 nan 0.000 0.445 148 H N -0.486 118.076 119.070 -0.847 0.000 2.319 148 H HA -0.151 4.406 4.556 0.002 0.000 0.299 148 H C 2.078 177.091 175.328 -0.525 0.000 1.092 148 H CA 1.601 56.886 56.048 -1.273 0.000 1.302 148 H CB 0.047 29.275 29.762 -0.890 0.000 1.373 148 H HN 0.647 nan 8.280 nan 0.000 0.497 149 E N 0.305 120.314 120.200 -0.319 0.000 2.072 149 E HA -0.163 4.188 4.350 0.002 0.000 0.191 149 E C 2.190 178.703 176.600 -0.144 0.000 0.985 149 E CA 1.075 57.316 56.400 -0.265 0.000 0.801 149 E CB 0.011 29.587 29.700 -0.207 0.000 0.750 149 E HN 0.649 nan 8.360 nan 0.000 0.452 150 E N 0.487 120.625 120.200 -0.104 0.000 2.150 150 E HA -0.182 4.169 4.350 0.002 0.000 0.193 150 E C 2.116 178.712 176.600 -0.007 0.000 0.985 150 E CA 0.587 56.962 56.400 -0.042 0.000 0.814 150 E CB 0.044 29.734 29.700 -0.017 0.000 0.752 150 E HN -0.049 nan 8.360 nan 0.000 0.466 151 R N 1.240 121.745 120.500 0.009 0.000 2.075 151 R HA -0.063 4.278 4.340 0.002 0.000 0.232 151 R C 2.049 178.383 176.300 0.057 0.000 1.126 151 R CA 1.139 57.294 56.100 0.092 0.000 0.963 151 R CB -0.612 29.836 30.300 0.247 0.000 0.858 151 R HN 0.147 nan 8.270 nan 0.000 0.435 152 L N 0.261 121.497 121.223 0.022 0.000 2.083 152 L HA -0.200 4.141 4.340 0.002 0.000 0.209 152 L C 2.524 179.374 176.870 -0.034 0.000 1.083 152 L CA 1.647 56.481 54.840 -0.010 0.000 0.752 152 L CB -0.420 41.607 42.059 -0.054 0.000 0.899 152 L HN 0.330 nan 8.230 nan 0.000 0.433 153 Q N -0.344 119.436 119.800 -0.033 0.000 2.079 153 Q HA -0.206 4.135 4.340 0.002 0.000 0.200 153 Q C 2.119 178.114 176.000 -0.009 0.000 0.974 153 Q CA 1.399 57.186 55.803 -0.026 0.000 0.840 153 Q CB -0.025 28.698 28.738 -0.025 0.000 0.898 153 Q HN 0.524 nan 8.270 nan 0.000 0.430 154 E N -0.063 120.142 120.200 0.008 0.000 2.023 154 E HA -0.193 4.158 4.350 0.002 0.000 0.196 154 E C 2.123 178.734 176.600 0.019 0.000 1.003 154 E CA 1.577 57.996 56.400 0.031 0.000 0.809 154 E CB -0.083 29.653 29.700 0.060 0.000 0.755 154 E HN 0.121 nan 8.360 nan 0.000 0.449 155 V N 1.310 121.208 119.914 -0.027 0.000 2.332 155 V HA -0.289 3.832 4.120 0.002 0.000 0.248 155 V C 2.356 178.379 176.094 -0.117 0.000 1.055 155 V CA 2.195 64.403 62.300 -0.153 0.000 1.038 155 V CB -0.528 31.089 31.823 -0.343 0.000 0.651 155 V HN 0.244 nan 8.190 nan 0.000 0.450 156 E N 0.616 120.770 120.200 -0.076 0.000 2.038 156 E HA -0.214 4.137 4.350 0.002 0.000 0.195 156 E C 2.180 178.773 176.600 -0.012 0.000 1.000 156 E CA 1.811 58.183 56.400 -0.046 0.000 0.803 156 E CB -0.576 29.102 29.700 -0.036 0.000 0.750 156 E HN 0.510 nan 8.360 nan 0.000 0.448 157 A N 0.476 123.297 122.820 0.001 0.000 1.908 157 A HA -0.259 4.062 4.320 0.002 0.000 0.218 157 A C 2.225 179.833 177.584 0.040 0.000 1.181 157 A CA 1.940 53.988 52.037 0.019 0.000 0.627 157 A CB -0.714 18.299 19.000 0.023 0.000 0.818 157 A HN 0.427 nan 8.150 nan 0.000 0.445 158 E N -0.566 119.670 120.200 0.060 0.000 2.072 158 E HA -0.093 4.258 4.350 0.002 0.000 0.191 158 E C 1.924 178.586 176.600 0.103 0.000 0.985 158 E CA 1.126 57.588 56.400 0.104 0.000 0.801 158 E CB -0.051 29.753 29.700 0.173 0.000 0.750 158 E HN 0.351 nan 8.360 nan 0.000 0.452 159 V N 1.003 120.967 119.914 0.083 0.000 2.358 159 V HA -0.240 3.881 4.120 0.002 0.000 0.246 159 V C 2.351 178.476 176.094 0.052 0.000 1.047 159 V CA 1.744 64.091 62.300 0.080 0.000 1.035 159 V CB -0.616 31.238 31.823 0.051 0.000 0.658 159 V HN 0.379 nan 8.190 nan 0.000 0.452 160 A N -0.652 122.189 122.820 0.035 0.000 1.972 160 A HA -0.182 4.139 4.320 0.002 0.000 0.219 160 A C 2.426 180.029 177.584 0.031 0.000 1.169 160 A CA 2.337 54.390 52.037 0.026 0.000 0.635 160 A CB -0.422 18.588 19.000 0.017 0.000 0.810 160 A HN 0.523 nan 8.150 nan 0.000 0.446 161 S N -1.531 114.192 115.700 0.039 0.000 2.456 161 S HA -0.019 4.452 4.470 0.002 0.000 0.224 161 S C 1.903 176.531 174.600 0.046 0.000 1.035 161 S CA 1.321 59.545 58.200 0.040 0.000 0.940 161 S CB 0.055 63.279 63.200 0.041 0.000 0.799 161 S HN 0.875 nan 8.310 nan 0.000 0.508 162 T N -2.581 112.009 114.554 0.060 0.000 2.959 162 T HA 0.457 4.808 4.350 0.002 0.000 0.254 162 T C 1.454 176.187 174.700 0.055 0.000 1.003 162 T CA 0.846 62.985 62.100 0.064 0.000 0.950 162 T CB 0.509 69.432 68.868 0.092 0.000 1.090 162 T HN 0.498 nan 8.240 nan 0.000 0.503 163 G N 0.282 109.115 108.800 0.055 0.000 2.176 163 G HA2 -0.165 3.797 3.960 0.002 0.000 0.253 163 G HA3 -0.165 3.797 3.960 0.002 0.000 0.253 163 G C 0.167 175.096 174.900 0.049 0.000 0.979 163 G CA 0.519 45.646 45.100 0.044 0.000 0.641 163 G HN 1.028 nan 8.290 nan 0.000 0.530 164 T N -1.540 113.057 114.554 0.071 0.000 2.665 164 T HA 0.705 5.056 4.350 0.002 0.000 0.303 164 T C -1.134 173.656 174.700 0.150 0.000 1.334 164 T CA 0.442 62.573 62.100 0.053 0.000 1.011 164 T CB 1.399 70.213 68.868 -0.090 0.000 1.573 164 T HN 1.564 nan 8.240 nan 0.000 0.492 165 Y N -0.851 119.354 120.300 -0.158 0.000 2.853 165 Y HA 0.843 5.395 4.550 0.002 0.000 0.326 165 Y C -1.654 174.028 175.900 -0.364 0.000 1.384 165 Y CA -1.190 56.861 58.100 -0.082 0.000 1.077 165 Y CB 0.856 39.327 38.460 0.019 0.000 1.395 165 Y HN 0.779 nan 8.280 nan 0.000 0.451 166 H N 0.338 119.454 119.070 0.077 0.000 2.851 166 H HA 0.643 5.200 4.556 0.002 0.000 0.372 166 H C -1.193 174.215 175.328 0.134 0.000 1.158 166 H CA -0.829 55.202 56.048 -0.028 0.000 1.159 166 H CB 2.010 31.790 29.762 0.029 0.000 1.757 166 H HN 0.716 nan 8.280 nan 0.000 0.546 167 L N 2.043 123.366 121.223 0.167 0.000 2.399 167 L HA 0.469 4.810 4.340 0.002 0.000 0.266 167 L C 0.621 177.574 176.870 0.139 0.000 1.114 167 L CA -0.818 54.141 54.840 0.198 0.000 0.804 167 L CB 0.646 42.790 42.059 0.143 0.000 1.146 167 L HN 0.395 nan 8.230 nan 0.000 0.451 168 R N 1.074 121.627 120.500 0.089 0.000 2.531 168 R HA 0.038 4.379 4.340 0.002 0.000 0.273 168 R C 0.965 177.262 176.300 -0.003 0.000 1.070 168 R CA -0.326 55.793 56.100 0.032 0.000 1.112 168 R CB 1.041 31.333 30.300 -0.013 0.000 1.049 168 R HN 0.697 nan 8.270 nan 0.000 0.508 169 E N 1.354 121.551 120.200 -0.005 0.000 2.097 169 E HA -0.240 4.112 4.350 0.002 0.000 0.196 169 E C 1.477 178.065 176.600 -0.022 0.000 1.000 169 E CA 2.172 58.561 56.400 -0.020 0.000 0.804 169 E CB 0.125 29.817 29.700 -0.013 0.000 0.740 169 E HN 0.677 nan 8.360 nan 0.000 0.454 170 S N 0.247 115.931 115.700 -0.027 0.000 2.382 170 S HA -0.221 4.250 4.470 0.002 0.000 0.228 170 S C 1.783 176.368 174.600 -0.027 0.000 1.027 170 S CA 1.399 59.602 58.200 0.004 0.000 0.991 170 S CB -0.401 62.818 63.200 0.033 0.000 0.823 170 S HN 0.394 nan 8.310 nan 0.000 0.469 171 E N 0.990 121.047 120.200 -0.238 0.000 2.106 171 E HA -0.031 4.320 4.350 0.002 0.000 0.192 171 E C 2.043 178.785 176.600 0.235 0.000 0.984 171 E CA 0.985 57.257 56.400 -0.214 0.000 0.806 171 E CB -0.345 29.229 29.700 -0.211 0.000 0.750 171 E HN 0.429 nan 8.360 nan 0.000 0.458 172 L N 0.875 122.143 121.223 0.075 0.000 2.017 172 L HA -0.163 4.178 4.340 0.002 0.000 0.208 172 L C 2.219 179.086 176.870 -0.004 0.000 1.073 172 L CA 1.392 56.215 54.840 -0.027 0.000 0.745 172 L CB -0.307 41.668 42.059 -0.139 0.000 0.894 172 L HN -0.053 nan 8.230 nan 0.000 0.432 173 V N -0.472 119.465 119.914 0.039 0.000 2.295 173 V HA -0.317 3.804 4.120 0.002 0.000 0.246 173 V C 2.337 178.524 176.094 0.156 0.000 1.049 173 V CA 2.165 64.497 62.300 0.053 0.000 1.024 173 V CB -0.930 30.925 31.823 0.053 0.000 0.648 173 V HN 0.582 nan 8.190 nan 0.000 0.447 174 F N 2.071 122.107 119.950 0.144 0.000 2.134 174 F HA -0.036 4.492 4.527 0.002 0.000 0.299 174 F C 2.135 178.086 175.800 0.253 0.000 1.097 174 F CA 1.676 59.812 58.000 0.226 0.000 1.264 174 F CB -0.858 38.342 39.000 0.333 0.000 1.001 174 F HN 0.121 nan 8.300 nan 0.000 0.479 175 G N -0.259 108.651 108.800 0.184 0.000 2.408 175 G HA2 -0.171 3.790 3.960 0.002 0.000 0.217 175 G HA3 -0.171 3.790 3.960 0.002 0.000 0.217 175 G C 1.806 176.600 174.900 -0.176 0.000 1.150 175 G CA 0.738 45.843 45.100 0.008 0.000 0.776 175 G HN 0.624 nan 8.290 nan 0.000 0.542 176 A N 0.954 123.697 122.820 -0.128 0.000 1.898 176 A HA 0.038 4.359 4.320 0.002 0.000 0.216 176 A C 2.299 179.899 177.584 0.027 0.000 1.181 176 A CA 1.863 53.830 52.037 -0.116 0.000 0.620 176 A CB -0.321 18.635 19.000 -0.073 0.000 0.819 176 A HN 0.365 nan 8.150 nan 0.000 0.442 177 K N -0.616 119.832 120.400 0.080 0.000 2.097 177 K HA -0.132 4.189 4.320 0.002 0.000 0.206 177 K C 2.235 178.927 176.600 0.154 0.000 1.049 177 K CA 1.306 57.747 56.287 0.256 0.000 0.933 177 K CB -0.126 32.550 32.500 0.295 0.000 0.717 177 K HN 0.386 nan 8.250 nan 0.000 0.442 178 Q N 0.163 119.874 119.800 -0.148 0.000 2.119 178 Q HA -0.059 4.282 4.340 0.002 0.000 0.201 178 Q C 2.184 178.065 176.000 -0.198 0.000 0.972 178 Q CA 1.412 57.031 55.803 -0.306 0.000 0.847 178 Q CB -0.204 28.233 28.738 -0.501 0.000 0.903 178 Q HN 0.331 nan 8.270 nan 0.000 0.433 179 A N 0.053 122.771 122.820 -0.170 0.000 1.930 179 A HA -0.169 4.152 4.320 0.002 0.000 0.217 179 A C 1.796 179.459 177.584 0.132 0.000 1.175 179 A CA 1.226 53.138 52.037 -0.209 0.000 0.627 179 A CB -0.831 17.737 19.000 -0.720 0.000 0.815 179 A HN 0.514 nan 8.150 nan 0.000 0.443 180 W N 0.976 122.318 121.300 0.070 0.000 2.379 180 W HA -0.092 4.569 4.660 0.002 0.000 0.307 180 W C 2.314 178.797 176.519 -0.059 0.000 1.200 180 W CA 1.413 58.802 57.345 0.074 0.000 1.297 180 W CB -0.687 28.807 29.460 0.056 0.000 1.140 180 W HN 0.356 nan 8.180 nan 0.000 0.507 181 R N 0.371 120.806 120.500 -0.108 0.000 2.117 181 R HA -0.194 4.147 4.340 0.002 0.000 0.243 181 R C 1.524 177.659 176.300 -0.275 0.000 1.143 181 R CA 1.884 57.694 56.100 -0.483 0.000 0.968 181 R CB -0.583 29.119 30.300 -0.996 0.000 0.863 181 R HN 0.121 nan 8.270 nan 0.000 0.444 182 N N 0.291 118.890 118.700 -0.168 0.000 2.467 182 N HA 0.014 4.755 4.740 0.002 0.000 0.184 182 N C -0.302 175.164 175.510 -0.074 0.000 1.106 182 N CA 0.615 53.591 53.050 -0.123 0.000 0.892 182 N CB 0.402 38.823 38.487 -0.109 0.000 0.969 182 N HN 0.164 nan 8.380 nan 0.000 0.454 183 A N 2.219 125.037 122.820 -0.002 0.000 2.473 183 A HA 0.224 4.545 4.320 0.002 0.000 0.282 183 A C -1.224 176.336 177.584 -0.041 0.000 1.163 183 A CA -0.920 51.115 52.037 -0.004 0.000 0.827 183 A CB 0.296 19.335 19.000 0.064 0.000 1.098 183 A HN 0.006 nan 8.150 nan 0.000 0.515 184 P HA -0.124 nan 4.420 nan 0.000 0.219 184 P C 1.052 178.300 177.300 -0.086 0.000 1.146 184 P CA 1.161 64.202 63.100 -0.099 0.000 0.808 184 P CB 0.152 31.761 31.700 -0.152 0.000 0.779 185 R N -2.122 118.289 120.500 -0.150 0.000 2.317 185 R HA 0.149 4.490 4.340 0.002 0.000 0.208 185 R C 0.218 176.520 176.300 0.003 0.000 0.914 185 R CA -0.124 55.903 56.100 -0.121 0.000 1.060 185 R CB -0.427 29.584 30.300 -0.483 0.000 1.015 185 R HN 0.176 nan 8.270 nan 0.000 0.498 186 C N 0.440 119.730 119.300 -0.016 0.000 2.265 186 C HA 0.235 4.696 4.460 0.002 0.000 0.332 186 C C 1.869 176.820 174.990 -0.065 0.000 1.248 186 C CA -0.720 58.313 59.018 0.025 0.000 1.727 186 C CB 0.592 28.411 27.740 0.132 0.000 2.348 186 C HN 0.295 nan 8.230 nan 0.000 0.519 187 V N 5.919 125.750 119.914 -0.140 0.000 3.306 187 V HA 0.190 4.311 4.120 0.002 0.000 0.264 187 V C 1.761 177.882 176.094 0.046 0.000 1.149 187 V CA 2.180 64.303 62.300 -0.296 0.000 1.143 187 V CB -0.144 31.529 31.823 -0.249 0.000 0.767 187 V HN 1.068 nan 8.190 nan 0.000 0.476 188 G N -0.694 108.161 108.800 0.092 0.000 3.448 188 G HA2 0.066 4.027 3.960 0.002 0.000 0.261 188 G HA3 0.066 4.027 3.960 0.002 0.000 0.261 188 G C 1.179 176.099 174.900 0.033 0.000 1.173 188 G CA -0.369 44.800 45.100 0.115 0.000 0.835 188 G HN 0.423 nan 8.290 nan 0.000 0.534 189 R N -0.162 120.278 120.500 -0.099 0.000 2.377 189 R HA 0.103 4.444 4.340 0.002 0.000 0.207 189 R C 1.963 177.859 176.300 -0.674 0.000 1.075 189 R CA 0.159 55.907 56.100 -0.587 0.000 1.035 189 R CB -0.142 29.768 30.300 -0.649 0.000 0.857 189 R HN 0.460 nan 8.270 nan 0.000 0.475 190 I N 0.875 121.241 120.570 -0.340 0.000 2.567 190 I HA -0.243 3.928 4.170 0.002 0.000 0.257 190 I C 1.265 177.302 176.117 -0.133 0.000 1.184 190 I CA 1.258 62.505 61.300 -0.088 0.000 1.451 190 I CB 0.165 38.203 38.000 0.062 0.000 1.089 190 I HN 0.209 nan 8.210 nan 0.000 0.441 191 Q N 0.545 120.198 119.800 -0.245 0.000 2.403 191 Q HA -0.110 4.231 4.340 0.002 0.000 0.203 191 Q C 1.655 177.252 176.000 -0.671 0.000 0.932 191 Q CA 0.426 56.075 55.803 -0.257 0.000 0.945 191 Q CB -0.244 28.504 28.738 0.016 0.000 1.045 191 Q HN 0.787 nan 8.270 nan 0.000 0.511 192 W N 0.302 120.906 121.300 -1.160 0.000 2.313 192 W HA -0.169 4.492 4.660 0.002 0.000 0.293 192 W C 1.144 177.413 176.519 -0.417 0.000 1.216 192 W CA 1.250 57.840 57.345 -1.258 0.000 1.223 192 W CB -1.246 27.668 29.460 -0.909 0.000 1.138 192 W HN 0.082 nan 8.180 nan 0.000 0.535 193 G N 1.070 109.283 108.800 -0.978 0.000 2.572 193 G HA2 -0.159 3.802 3.960 0.002 0.000 0.216 193 G HA3 -0.159 3.802 3.960 0.002 0.000 0.216 193 G C 0.773 175.499 174.900 -0.288 0.000 1.133 193 G CA 0.023 44.627 45.100 -0.827 0.000 0.791 193 G HN 0.250 nan 8.290 nan 0.000 0.538 194 K N 0.241 120.562 120.400 -0.132 0.000 2.357 194 K HA 0.538 4.859 4.320 0.002 0.000 0.251 194 K C -1.627 175.102 176.600 0.214 0.000 1.069 194 K CA -0.660 55.653 56.287 0.044 0.000 0.994 194 K CB 0.341 32.889 32.500 0.080 0.000 1.411 194 K HN 0.060 nan 8.250 nan 0.000 0.450 195 L N 3.147 124.466 121.223 0.161 0.000 2.476 195 L HA 0.323 4.664 4.340 0.002 0.000 0.269 195 L C -1.392 175.464 176.870 -0.023 0.000 0.965 195 L CA -0.409 54.522 54.840 0.152 0.000 0.845 195 L CB 1.939 44.157 42.059 0.265 0.000 1.259 195 L HN 0.482 nan 8.230 nan 0.000 0.403 196 Q N 3.243 122.968 119.800 -0.125 0.000 2.295 196 Q HA 0.521 4.862 4.340 0.002 0.000 0.259 196 Q C -1.542 174.080 176.000 -0.630 0.000 0.976 196 Q CA -0.030 55.518 55.803 -0.426 0.000 0.923 196 Q CB 1.204 29.577 28.738 -0.609 0.000 1.185 196 Q HN 0.514 nan 8.270 nan 0.000 0.410 197 V N 6.310 125.871 119.914 -0.589 0.000 2.328 197 V HA 0.389 4.510 4.120 0.002 0.000 0.278 197 V C -0.759 175.004 176.094 -0.553 0.000 1.021 197 V CA -0.594 61.422 62.300 -0.474 0.000 0.838 197 V CB 0.275 31.957 31.823 -0.235 0.000 0.999 197 V HN 0.625 nan 8.190 nan 0.000 0.447 198 F N 2.629 122.450 119.950 -0.216 0.000 2.391 198 F HA 0.372 4.900 4.527 0.002 0.000 0.359 198 F C 0.573 176.233 175.800 -0.233 0.000 1.122 198 F CA -1.078 56.802 58.000 -0.200 0.000 1.120 198 F CB 0.882 39.771 39.000 -0.184 0.000 1.142 198 F HN 0.424 nan 8.300 nan 0.000 0.483 199 D N 3.110 123.503 120.400 -0.010 0.000 2.336 199 D HA 0.367 5.008 4.640 0.002 0.000 0.249 199 D C 0.196 176.372 176.300 -0.207 0.000 1.213 199 D CA 0.128 54.053 54.000 -0.126 0.000 0.870 199 D CB 1.116 41.876 40.800 -0.067 0.000 1.076 199 D HN 0.620 nan 8.370 nan 0.000 0.483 200 A N 4.571 127.088 122.820 -0.506 0.000 2.594 200 A HA 0.155 4.476 4.320 0.002 0.000 0.287 200 A C 1.610 178.875 177.584 -0.531 0.000 1.227 200 A CA -0.379 51.073 52.037 -0.975 0.000 0.952 200 A CB 0.066 17.957 19.000 -1.848 0.000 1.161 200 A HN 0.556 nan 8.150 nan 0.000 0.524 201 R N 0.101 120.439 120.500 -0.269 0.000 2.285 201 R HA -0.091 4.251 4.340 0.002 0.000 0.213 201 R C 0.517 176.769 176.300 -0.079 0.000 1.068 201 R CA 1.217 57.238 56.100 -0.131 0.000 1.004 201 R CB -0.059 30.225 30.300 -0.027 0.000 0.873 201 R HN 0.553 nan 8.270 nan 0.000 0.467 202 D N -0.185 120.188 120.400 -0.046 0.000 2.538 202 D HA -0.012 4.629 4.640 0.002 0.000 0.234 202 D C -0.955 175.409 176.300 0.107 0.000 1.191 202 D CA -0.264 53.764 54.000 0.047 0.000 0.828 202 D CB -0.062 40.790 40.800 0.087 0.000 0.981 202 D HN 0.028 nan 8.370 nan 0.000 0.490 203 C N 0.871 120.195 119.300 0.039 0.000 2.303 203 C HA 0.665 5.126 4.460 0.002 0.000 0.326 203 C C 1.063 176.149 174.990 0.159 0.000 1.285 203 C CA -0.172 58.929 59.018 0.138 0.000 1.675 203 C CB 0.317 28.131 27.740 0.123 0.000 2.289 203 C HN 0.463 nan 8.230 nan 0.000 0.512 204 S N 2.677 118.530 115.700 0.255 0.000 2.846 204 S HA 0.391 4.862 4.470 0.002 0.000 0.249 204 S C -0.125 174.646 174.600 0.286 0.000 1.028 204 S CA 0.202 58.594 58.200 0.320 0.000 1.043 204 S CB -0.295 63.030 63.200 0.208 0.000 0.990 204 S HN 1.408 nan 8.310 nan 0.000 0.564 205 S N -0.639 115.232 115.700 0.284 0.000 2.567 205 S HA 0.763 5.234 4.470 0.002 0.000 0.270 205 S C 0.750 175.443 174.600 0.155 0.000 1.152 205 S CA -0.323 57.986 58.200 0.182 0.000 0.835 205 S CB 0.831 64.116 63.200 0.141 0.000 1.115 205 S HN 0.630 nan 8.310 nan 0.000 0.459 206 A N 0.879 123.763 122.820 0.106 0.000 1.972 206 A HA -0.081 4.240 4.320 0.002 0.000 0.219 206 A C 2.089 179.642 177.584 -0.053 0.000 1.169 206 A CA 1.881 53.949 52.037 0.052 0.000 0.635 206 A CB -1.042 18.055 19.000 0.161 0.000 0.810 206 A HN 0.903 nan 8.150 nan 0.000 0.446 207 Q N -0.356 119.515 119.800 0.119 0.000 2.084 207 Q HA -0.224 4.117 4.340 0.002 0.000 0.202 207 Q C 1.880 177.913 176.000 0.055 0.000 0.978 207 Q CA 1.860 57.733 55.803 0.116 0.000 0.844 207 Q CB -0.131 28.740 28.738 0.222 0.000 0.898 207 Q HN 0.796 nan 8.270 nan 0.000 0.426 208 E N -0.184 120.082 120.200 0.110 0.000 2.150 208 E HA -0.165 4.186 4.350 0.002 0.000 0.193 208 E C 2.071 178.829 176.600 0.263 0.000 0.985 208 E CA 1.070 57.573 56.400 0.170 0.000 0.814 208 E CB -0.046 29.799 29.700 0.241 0.000 0.752 208 E HN 0.449 nan 8.360 nan 0.000 0.466 209 M N 0.020 119.703 119.600 0.138 0.000 2.108 209 M HA -0.162 4.319 4.480 0.002 0.000 0.261 209 M C 2.188 178.534 176.300 0.076 0.000 1.066 209 M CA 1.469 56.786 55.300 0.030 0.000 1.107 209 M CB -0.336 32.043 32.600 -0.368 0.000 1.356 209 M HN 0.144 nan 8.290 nan 0.000 0.406 210 F N 0.893 120.641 119.950 -0.335 0.000 2.134 210 F HA -0.244 4.284 4.527 0.002 0.000 0.299 210 F C 2.253 177.963 175.800 -0.151 0.000 1.097 210 F CA 1.590 59.340 58.000 -0.416 0.000 1.264 210 F CB -0.069 38.378 39.000 -0.923 0.000 1.001 210 F HN 0.051 nan 8.300 nan 0.000 0.479 211 T N -0.480 113.947 114.554 -0.213 0.000 2.777 211 T HA -0.221 4.130 4.350 0.002 0.000 0.266 211 T C 1.501 176.059 174.700 -0.238 0.000 1.040 211 T CA 1.754 63.673 62.100 -0.301 0.000 1.141 211 T CB -0.683 68.059 68.868 -0.211 0.000 0.868 211 T HN 0.339 nan 8.240 nan 0.000 0.444 212 Y N 0.897 121.155 120.300 -0.070 0.000 2.181 212 Y HA -0.033 4.518 4.550 0.002 0.000 0.288 212 Y C 2.254 178.118 175.900 -0.060 0.000 1.146 212 Y CA 0.871 58.938 58.100 -0.054 0.000 1.164 212 Y CB -0.380 38.132 38.460 0.085 0.000 0.982 212 Y HN 0.168 nan 8.280 nan 0.000 0.515 213 I N -1.560 119.110 120.570 0.166 0.000 2.286 213 I HA -0.348 3.823 4.170 0.002 0.000 0.248 213 I C 2.223 178.294 176.117 -0.077 0.000 1.115 213 I CA 0.873 62.210 61.300 0.062 0.000 1.392 213 I CB -0.425 37.613 38.000 0.063 0.000 1.065 213 I HN 0.319 nan 8.210 nan 0.000 0.418 214 C N 0.644 119.788 119.300 -0.260 0.000 2.440 214 C HA -0.113 4.348 4.460 0.002 0.000 0.278 214 C C 2.601 177.495 174.990 -0.160 0.000 1.295 214 C CA 0.732 59.582 59.018 -0.280 0.000 1.738 214 C CB -1.341 26.103 27.740 -0.493 0.000 1.987 214 C HN 0.545 nan 8.230 nan 0.000 0.492 215 N N -0.110 118.479 118.700 -0.186 0.000 2.188 215 N HA -0.126 4.615 4.740 0.002 0.000 0.184 215 N C 1.459 176.871 175.510 -0.162 0.000 1.018 215 N CA 1.288 54.215 53.050 -0.204 0.000 0.858 215 N CB -0.738 37.552 38.487 -0.329 0.000 0.989 215 N HN 0.751 nan 8.380 nan 0.000 0.426 216 H N 0.801 119.729 119.070 -0.237 0.000 2.321 216 H HA 0.045 4.602 4.556 0.002 0.000 0.300 216 H C 2.169 177.536 175.328 0.065 0.000 1.087 216 H CA 1.513 57.500 56.048 -0.101 0.000 1.319 216 H CB -0.018 29.742 29.762 -0.003 0.000 1.379 216 H HN 0.068 nan 8.280 nan 0.000 0.501 217 I N 0.756 121.477 120.570 0.250 0.000 2.163 217 I HA -0.285 3.886 4.170 0.002 0.000 0.243 217 I C 2.386 178.585 176.117 0.137 0.000 1.085 217 I CA 1.511 62.916 61.300 0.175 0.000 1.347 217 I CB -0.277 37.748 38.000 0.043 0.000 1.044 217 I HN 0.340 nan 8.210 nan 0.000 0.408 218 K N 0.018 120.465 120.400 0.077 0.000 2.032 218 K HA -0.258 4.063 4.320 0.002 0.000 0.209 218 K C 2.247 178.901 176.600 0.089 0.000 1.048 218 K CA 1.962 58.281 56.287 0.054 0.000 0.927 218 K CB -0.526 31.981 32.500 0.011 0.000 0.712 218 K HN 0.272 nan 8.250 nan 0.000 0.441 219 Y N 1.460 121.774 120.300 0.025 0.000 2.145 219 Y HA -0.223 4.328 4.550 0.002 0.000 0.286 219 Y C 2.276 178.243 175.900 0.112 0.000 1.145 219 Y CA 1.481 59.627 58.100 0.077 0.000 1.148 219 Y CB -0.387 38.155 38.460 0.137 0.000 0.981 219 Y HN 0.052 nan 8.280 nan 0.000 0.507 220 A N -0.740 122.272 122.820 0.320 0.000 1.933 220 A HA -0.154 4.167 4.320 0.002 0.000 0.218 220 A C 2.201 179.861 177.584 0.127 0.000 1.175 220 A CA 2.206 54.396 52.037 0.254 0.000 0.628 220 A CB -1.272 17.944 19.000 0.359 0.000 0.814 220 A HN 0.522 nan 8.150 nan 0.000 0.444 221 T N -0.476 114.144 114.554 0.109 0.000 2.737 221 T HA -0.097 4.254 4.350 0.002 0.000 0.265 221 T C 1.001 175.713 174.700 0.020 0.000 1.038 221 T CA 0.954 63.103 62.100 0.081 0.000 1.144 221 T CB -0.517 68.395 68.868 0.073 0.000 0.866 221 T HN 0.751 nan 8.240 nan 0.000 0.434 222 N N 0.960 119.641 118.700 -0.032 0.000 2.714 222 N HA -0.279 4.463 4.740 0.002 0.000 0.252 222 N C -0.539 174.947 175.510 -0.040 0.000 1.014 222 N CA 0.114 53.119 53.050 -0.076 0.000 0.735 222 N CB -0.568 37.834 38.487 -0.142 0.000 0.924 222 N HN 0.405 nan 8.380 nan 0.000 0.540 223 R N -2.060 118.429 120.500 -0.019 0.000 3.741 223 R HA -0.260 4.081 4.340 0.002 0.000 0.292 223 R C 1.243 177.534 176.300 -0.016 0.000 1.176 223 R CA 1.127 57.218 56.100 -0.016 0.000 0.794 223 R CB -2.040 28.246 30.300 -0.023 0.000 1.213 223 R HN 0.863 nan 8.270 nan 0.000 0.494 224 G N -0.200 108.600 108.800 -0.001 0.000 2.278 224 G HA2 -0.323 3.638 3.960 0.002 0.000 0.210 224 G HA3 -0.323 3.638 3.960 0.002 0.000 0.210 224 G C -0.040 174.861 174.900 0.003 0.000 1.000 224 G CA 0.074 45.176 45.100 0.003 0.000 0.635 224 G HN 0.472 nan 8.290 nan 0.000 0.495 225 N N 1.262 119.951 118.700 -0.019 0.000 3.229 225 N HA 0.427 5.168 4.740 0.002 0.000 0.275 225 N C 0.229 175.726 175.510 -0.020 0.000 1.225 225 N CA -0.699 52.325 53.050 -0.043 0.000 1.119 225 N CB -0.128 38.324 38.487 -0.058 0.000 1.392 225 N HN 0.145 nan 8.380 nan 0.000 0.520 226 L N 2.126 123.372 121.223 0.038 0.000 2.543 226 L HA -0.007 4.334 4.340 0.002 0.000 0.285 226 L C 0.658 177.651 176.870 0.206 0.000 1.236 226 L CA 1.140 56.069 54.840 0.149 0.000 0.871 226 L CB 0.105 42.340 42.059 0.293 0.000 1.121 226 L HN 0.356 nan 8.230 nan 0.000 0.501 227 R N 1.518 122.146 120.500 0.213 0.000 2.532 227 R HA 0.431 4.772 4.340 0.002 0.000 0.297 227 R C -0.566 175.918 176.300 0.307 0.000 0.984 227 R CA -0.668 55.585 56.100 0.256 0.000 0.884 227 R CB 1.665 31.996 30.300 0.051 0.000 1.182 227 R HN 0.584 nan 8.270 nan 0.000 0.442 228 S N 1.498 117.380 115.700 0.304 0.000 2.560 228 S HA 0.416 4.887 4.470 0.002 0.000 0.284 228 S C -0.147 174.513 174.600 0.100 0.000 1.327 228 S CA -0.103 58.165 58.200 0.115 0.000 1.055 228 S CB 1.104 64.308 63.200 0.006 0.000 0.868 228 S HN 0.710 nan 8.310 nan 0.000 0.506 229 A N 2.395 125.228 122.820 0.021 0.000 2.610 229 A HA 0.827 5.149 4.320 0.002 0.000 0.291 229 A C -1.305 176.265 177.584 -0.024 0.000 1.086 229 A CA -0.670 51.301 52.037 -0.109 0.000 0.677 229 A CB 1.196 20.072 19.000 -0.208 0.000 1.278 229 A HN 0.801 nan 8.150 nan 0.000 0.414 230 I N 0.312 120.843 120.570 -0.064 0.000 2.692 230 I HA 0.629 4.800 4.170 0.002 0.000 0.293 230 I C -1.229 174.963 176.117 0.124 0.000 1.200 230 I CA -0.081 61.325 61.300 0.177 0.000 1.036 230 I CB 2.387 40.460 38.000 0.122 0.000 1.258 230 I HN 0.608 nan 8.210 nan 0.000 0.421 231 T N 6.279 120.978 114.554 0.241 0.000 2.792 231 T HA 0.487 4.838 4.350 0.002 0.000 0.280 231 T C -0.822 173.714 174.700 -0.273 0.000 0.990 231 T CA -0.367 61.741 62.100 0.013 0.000 0.960 231 T CB 1.637 70.542 68.868 0.062 0.000 0.939 231 T HN 0.270 nan 8.240 nan 0.000 0.439 232 V N 4.991 124.653 119.914 -0.421 0.000 2.347 232 V HA 0.496 4.617 4.120 0.002 0.000 0.280 232 V C -0.481 175.289 176.094 -0.541 0.000 1.021 232 V CA -0.813 61.235 62.300 -0.420 0.000 0.847 232 V CB 0.184 31.726 31.823 -0.468 0.000 0.990 232 V HN 0.718 nan 8.190 nan 0.000 0.444 233 F N 4.967 124.835 119.950 -0.136 0.000 2.375 233 F HA 0.523 5.051 4.527 0.002 0.000 0.317 233 F C -1.829 173.878 175.800 -0.155 0.000 1.124 233 F CA -2.491 55.361 58.000 -0.245 0.000 1.050 233 F CB 0.271 39.135 39.000 -0.226 0.000 1.314 233 F HN 0.293 nan 8.300 nan 0.000 0.511 234 P HA -0.043 nan 4.420 nan 0.000 0.263 234 P C -0.915 176.386 177.300 0.002 0.000 1.175 234 P CA -0.005 62.990 63.100 -0.175 0.000 0.761 234 P CB 0.182 31.547 31.700 -0.559 0.000 0.794 235 Q N 3.717 123.473 119.800 -0.073 0.000 2.524 235 Q HA 0.130 4.471 4.340 0.002 0.000 0.246 235 Q C -0.212 175.674 176.000 -0.189 0.000 1.063 235 Q CA -0.223 55.300 55.803 -0.467 0.000 0.945 235 Q CB 0.556 28.751 28.738 -0.906 0.000 1.292 235 Q HN 0.354 nan 8.270 nan 0.000 0.518 236 R N -0.089 120.277 120.500 -0.224 0.000 2.641 236 R HA 0.487 4.829 4.340 0.002 0.000 0.269 236 R C -0.646 175.594 176.300 -0.100 0.000 1.074 236 R CA 0.258 56.305 56.100 -0.088 0.000 1.133 236 R CB 0.688 30.929 30.300 -0.098 0.000 1.029 236 R HN 0.737 nan 8.270 nan 0.000 0.488 237 A N 3.081 125.881 122.820 -0.033 0.000 2.475 237 A HA 0.530 4.851 4.320 0.002 0.000 0.301 237 A C -2.560 175.013 177.584 -0.018 0.000 1.059 237 A CA -2.001 50.019 52.037 -0.028 0.000 0.710 237 A CB 1.563 20.574 19.000 0.019 0.000 1.288 237 A HN 0.397 nan 8.150 nan 0.000 0.408 238 P HA 0.257 nan 4.420 nan 0.000 0.264 238 P C 1.054 178.353 177.300 -0.002 0.000 1.193 238 P CA 2.106 65.198 63.100 -0.012 0.000 0.763 238 P CB 0.611 32.305 31.700 -0.009 0.000 0.810 239 G N 2.030 110.827 108.800 -0.004 0.000 2.187 239 G HA2 -0.300 3.661 3.960 0.002 0.000 0.261 239 G HA3 -0.300 3.661 3.960 0.002 0.000 0.261 239 G C 0.259 175.159 174.900 0.001 0.000 1.000 239 G CA 0.046 45.146 45.100 -0.000 0.000 0.718 239 G HN 0.709 nan 8.290 nan 0.000 0.519 240 R N -0.080 120.420 120.500 0.000 0.000 2.750 240 R HA 0.584 4.925 4.340 0.002 0.000 0.281 240 R C 0.801 177.096 176.300 -0.008 0.000 0.972 240 R CA -0.104 55.995 56.100 -0.001 0.000 0.912 240 R CB 1.052 31.359 30.300 0.012 0.000 1.187 240 R HN 0.334 nan 8.270 nan 0.000 0.464 241 G N 1.601 110.386 108.800 -0.025 0.000 2.594 241 G HA2 0.061 4.022 3.960 0.002 0.000 0.243 241 G HA3 0.061 4.022 3.960 0.002 0.000 0.243 241 G C -0.608 174.268 174.900 -0.039 0.000 1.229 241 G CA -0.340 44.741 45.100 -0.031 0.000 0.843 241 G HN 0.577 nan 8.290 nan 0.000 0.578 242 D N -0.322 120.075 120.400 -0.006 0.000 2.264 242 D HA 0.314 4.955 4.640 0.002 0.000 0.249 242 D C -0.136 176.186 176.300 0.037 0.000 1.070 242 D CA 0.040 54.072 54.000 0.052 0.000 0.912 242 D CB 1.046 41.886 40.800 0.066 0.000 1.193 242 D HN 0.097 nan 8.370 nan 0.000 0.427 243 F N 1.739 121.713 119.950 0.041 0.000 2.456 243 F HA 0.301 4.829 4.527 0.002 0.000 0.358 243 F C 1.128 176.955 175.800 0.045 0.000 1.095 243 F CA 0.145 58.160 58.000 0.024 0.000 1.216 243 F CB 0.608 39.615 39.000 0.011 0.000 1.125 243 F HN -0.160 nan 8.300 nan 0.000 0.549 244 R N 3.503 124.126 120.500 0.206 0.000 2.707 244 R HA 0.518 4.859 4.340 0.002 0.000 0.272 244 R C -1.376 175.067 176.300 0.239 0.000 1.011 244 R CA -0.875 55.355 56.100 0.217 0.000 0.893 244 R CB 2.226 32.671 30.300 0.241 0.000 1.233 244 R HN 0.605 nan 8.270 nan 0.000 0.464 245 I N 1.697 122.399 120.570 0.219 0.000 2.355 245 I HA 0.174 4.345 4.170 0.002 0.000 0.288 245 I C 0.487 176.813 176.117 0.348 0.000 0.999 245 I CA -0.455 60.971 61.300 0.210 0.000 1.163 245 I CB 1.209 39.275 38.000 0.109 0.000 1.316 245 I HN 0.524 nan 8.210 nan 0.000 0.454 246 W N 3.530 124.877 121.300 0.078 0.000 2.388 246 W HA -0.094 4.567 4.660 0.002 0.000 0.294 246 W C 1.017 177.656 176.519 0.200 0.000 1.212 246 W CA 0.212 57.678 57.345 0.201 0.000 1.271 246 W CB -0.825 28.727 29.460 0.153 0.000 1.126 246 W HN 0.409 nan 8.180 nan 0.000 0.535 247 N N 0.093 118.964 118.700 0.286 0.000 2.441 247 N HA 0.001 4.742 4.740 0.002 0.000 0.251 247 N C 1.289 176.870 175.510 0.118 0.000 1.242 247 N CA 0.907 54.046 53.050 0.148 0.000 0.898 247 N CB 0.587 39.096 38.487 0.037 0.000 1.100 247 N HN -0.073 nan 8.380 nan 0.000 0.443 248 S N 0.298 116.058 115.700 0.099 0.000 2.461 248 S HA 0.004 4.476 4.470 0.002 0.000 0.228 248 S C 0.323 174.926 174.600 0.005 0.000 1.005 248 S CA 0.541 58.786 58.200 0.074 0.000 0.942 248 S CB 0.081 63.344 63.200 0.106 0.000 0.776 248 S HN 0.649 nan 8.310 nan 0.000 0.514 249 Q N -0.829 118.955 119.800 -0.026 0.000 2.456 249 Q HA 0.496 4.837 4.340 0.002 0.000 0.284 249 Q C 0.103 176.019 176.000 -0.140 0.000 1.061 249 Q CA -0.605 55.139 55.803 -0.097 0.000 0.799 249 Q CB 1.856 30.561 28.738 -0.055 0.000 1.445 249 Q HN 0.110 nan 8.270 nan 0.000 0.411 250 L N 0.060 121.170 121.223 -0.189 0.000 2.156 250 L HA 0.057 4.398 4.340 0.002 0.000 0.208 250 L C 0.307 177.023 176.870 -0.257 0.000 1.095 250 L CA 0.787 55.517 54.840 -0.185 0.000 0.770 250 L CB 0.234 42.180 42.059 -0.189 0.000 0.914 250 L HN 0.250 nan 8.230 nan 0.000 0.439 251 V N 1.011 120.671 119.914 -0.423 0.000 2.444 251 V HA 0.474 4.595 4.120 0.002 0.000 0.294 251 V C -0.283 175.284 176.094 -0.878 0.000 1.022 251 V CA -0.682 61.192 62.300 -0.710 0.000 0.850 251 V CB 1.716 32.920 31.823 -1.032 0.000 0.992 251 V HN 0.168 nan 8.190 nan 0.000 0.426 252 R N 2.819 122.952 120.500 -0.611 0.000 2.740 252 R HA 0.536 4.877 4.340 0.002 0.000 0.273 252 R C -1.861 174.233 176.300 -0.344 0.000 0.998 252 R CA -0.822 55.045 56.100 -0.388 0.000 0.900 252 R CB 2.567 32.777 30.300 -0.151 0.000 1.223 252 R HN 0.551 nan 8.270 nan 0.000 0.466 253 Y N 0.266 120.558 120.300 -0.014 0.000 2.323 253 Y HA 0.438 4.989 4.550 0.002 0.000 0.331 253 Y C 0.859 176.715 175.900 -0.074 0.000 1.092 253 Y CA -0.712 57.382 58.100 -0.011 0.000 1.150 253 Y CB 1.431 39.936 38.460 0.075 0.000 1.200 253 Y HN 0.707 nan 8.280 nan 0.000 0.472 254 A N 1.831 124.668 122.820 0.029 0.000 2.507 254 A HA 0.493 4.814 4.320 0.002 0.000 0.235 254 A C 0.651 177.986 177.584 -0.414 0.000 1.070 254 A CA 0.414 52.312 52.037 -0.231 0.000 0.768 254 A CB -0.281 18.523 19.000 -0.326 0.000 1.011 254 A HN 0.964 nan 8.150 nan 0.000 0.502 255 G N 0.753 109.311 108.800 -0.404 0.000 2.728 255 G HA2 0.541 4.502 3.960 0.002 0.000 0.296 255 G HA3 0.541 4.502 3.960 0.002 0.000 0.296 255 G C -0.960 173.802 174.900 -0.230 0.000 1.401 255 G CA -0.289 44.626 45.100 -0.307 0.000 1.007 255 G HN 0.577 nan 8.290 nan 0.000 0.527 256 Y N 2.202 122.512 120.300 0.018 0.000 2.335 256 Y HA 0.412 4.963 4.550 0.002 0.000 0.339 256 Y C 1.115 177.014 175.900 -0.001 0.000 0.987 256 Y CA -1.178 56.934 58.100 0.021 0.000 1.140 256 Y CB 1.419 39.890 38.460 0.017 0.000 1.173 256 Y HN 0.175 nan 8.280 nan 0.000 0.486 257 R N 3.943 124.537 120.500 0.157 0.000 2.401 257 R HA 0.154 4.495 4.340 0.002 0.000 0.299 257 R C -0.401 175.941 176.300 0.071 0.000 1.064 257 R CA -0.065 56.085 56.100 0.083 0.000 1.000 257 R CB 0.694 31.031 30.300 0.061 0.000 0.973 257 R HN 0.772 nan 8.270 nan 0.000 0.438 258 Q N 1.572 121.401 119.800 0.048 0.000 2.306 258 Q HA 0.065 4.406 4.340 0.002 0.000 0.269 258 Q C 1.204 177.212 176.000 0.015 0.000 1.053 258 Q CA -0.871 54.949 55.803 0.028 0.000 0.879 258 Q CB 1.465 30.218 28.738 0.025 0.000 1.344 258 Q HN 0.533 nan 8.270 nan 0.000 0.464 259 Q N 1.505 121.308 119.800 0.005 0.000 2.062 259 Q HA -0.296 4.045 4.340 0.002 0.000 0.216 259 Q C 0.297 176.300 176.000 0.004 0.000 1.052 259 Q CA 2.502 58.306 55.803 0.001 0.000 0.910 259 Q CB -1.123 27.613 28.738 -0.003 0.000 1.043 259 Q HN 0.890 nan 8.270 nan 0.000 0.425 260 D N -0.010 120.393 120.400 0.005 0.000 3.038 260 D HA 0.232 4.873 4.640 0.002 0.000 0.243 260 D C 0.930 177.235 176.300 0.009 0.000 1.245 260 D CA 0.435 54.438 54.000 0.006 0.000 0.871 260 D CB -0.446 40.356 40.800 0.004 0.000 1.089 260 D HN 0.672 nan 8.370 nan 0.000 0.464 261 G N 0.955 109.762 108.800 0.012 0.000 2.216 261 G HA2 -0.379 3.582 3.960 0.002 0.000 0.269 261 G HA3 -0.379 3.582 3.960 0.002 0.000 0.269 261 G C 0.593 175.502 174.900 0.015 0.000 0.981 261 G CA 0.974 46.083 45.100 0.015 0.000 0.658 261 G HN 0.766 nan 8.290 nan 0.000 0.539 262 S N -1.508 114.200 115.700 0.012 0.000 2.661 262 S HA 0.757 5.228 4.470 0.002 0.000 0.265 262 S C -0.063 174.542 174.600 0.008 0.000 1.225 262 S CA -0.104 58.101 58.200 0.008 0.000 0.986 262 S CB 2.485 65.689 63.200 0.005 0.000 1.008 262 S HN 1.018 nan 8.310 nan 0.000 0.565 263 V N 0.786 120.696 119.914 -0.008 0.000 2.686 263 V HA 0.538 4.660 4.120 0.002 0.000 0.306 263 V C -0.244 175.820 176.094 -0.050 0.000 1.065 263 V CA -0.799 61.489 62.300 -0.019 0.000 0.894 263 V CB 1.794 33.590 31.823 -0.045 0.000 1.004 263 V HN 0.954 nan 8.190 nan 0.000 0.424 264 R N 2.596 123.089 120.500 -0.012 0.000 2.294 264 R HA 0.699 5.040 4.340 0.002 0.000 0.319 264 R C 0.551 176.767 176.300 -0.140 0.000 0.984 264 R CA 0.913 56.997 56.100 -0.026 0.000 0.861 264 R CB 1.189 31.552 30.300 0.106 0.000 1.104 264 R HN 1.246 nan 8.270 nan 0.000 0.451 265 G N 2.937 111.560 108.800 -0.294 0.000 2.445 265 G HA2 -0.246 3.715 3.960 0.002 0.000 0.212 265 G HA3 -0.246 3.715 3.960 0.002 0.000 0.212 265 G C -1.301 173.160 174.900 -0.732 0.000 1.217 265 G CA -0.118 44.715 45.100 -0.445 0.000 1.002 265 G HN 0.632 nan 8.290 nan 0.000 0.574 266 D N 1.647 121.777 120.400 -0.449 0.000 2.380 266 D HA 0.557 5.198 4.640 0.002 0.000 0.230 266 D C -1.079 175.112 176.300 -0.180 0.000 1.154 266 D CA -1.978 51.818 54.000 -0.340 0.000 0.859 266 D CB 1.412 42.325 40.800 0.188 0.000 1.045 266 D HN -0.013 nan 8.370 nan 0.000 0.495 267 P HA -0.084 nan 4.420 nan 0.000 0.223 267 P C 0.733 178.038 177.300 0.008 0.000 1.144 267 P CA 0.815 63.870 63.100 -0.075 0.000 0.783 267 P CB 0.319 31.983 31.700 -0.060 0.000 0.771 268 A N -0.782 122.062 122.820 0.039 0.000 2.119 268 A HA -0.045 4.276 4.320 0.002 0.000 0.216 268 A C 1.463 179.101 177.584 0.090 0.000 1.152 268 A CA 1.008 53.102 52.037 0.095 0.000 0.708 268 A CB -0.633 18.445 19.000 0.130 0.000 0.805 268 A HN 0.135 nan 8.150 nan 0.000 0.460 269 N N -0.242 118.492 118.700 0.056 0.000 2.275 269 N HA 0.147 4.888 4.740 0.002 0.000 0.236 269 N C 1.058 176.572 175.510 0.007 0.000 1.154 269 N CA 0.133 53.207 53.050 0.040 0.000 0.866 269 N CB 0.705 39.211 38.487 0.031 0.000 1.093 269 N HN 0.177 nan 8.380 nan 0.000 0.515 270 V N 1.010 120.933 119.914 0.014 0.000 2.255 270 V HA -0.247 3.874 4.120 0.002 0.000 0.247 270 V C 2.443 178.553 176.094 0.025 0.000 1.051 270 V CA 1.829 64.140 62.300 0.018 0.000 1.018 270 V CB -0.317 31.523 31.823 0.030 0.000 0.641 270 V HN 0.384 nan 8.190 nan 0.000 0.445 271 E N -0.336 119.882 120.200 0.030 0.000 2.058 271 E HA -0.278 4.073 4.350 0.002 0.000 0.194 271 E C 2.158 178.705 176.600 -0.087 0.000 0.997 271 E CA 1.885 58.282 56.400 -0.005 0.000 0.801 271 E CB -0.191 29.541 29.700 0.053 0.000 0.746 271 E HN 0.484 nan 8.360 nan 0.000 0.450 272 I N 0.793 121.323 120.570 -0.067 0.000 2.286 272 I HA -0.216 3.955 4.170 0.002 0.000 0.248 272 I C 2.107 178.184 176.117 -0.066 0.000 1.115 272 I CA 1.614 62.849 61.300 -0.109 0.000 1.392 272 I CB -0.468 37.516 38.000 -0.026 0.000 1.065 272 I HN 0.078 nan 8.210 nan 0.000 0.418 273 T N 0.449 114.991 114.554 -0.020 0.000 2.720 273 T HA -0.188 4.163 4.350 0.002 0.000 0.268 273 T C 1.739 176.527 174.700 0.147 0.000 1.037 273 T CA 1.869 64.000 62.100 0.053 0.000 1.144 273 T CB -0.277 68.632 68.868 0.069 0.000 0.864 273 T HN 0.494 nan 8.240 nan 0.000 0.444 274 E N 0.642 120.895 120.200 0.088 0.000 2.072 274 E HA -0.010 4.341 4.350 0.002 0.000 0.191 274 E C 2.250 178.886 176.600 0.061 0.000 0.985 274 E CA 0.709 57.161 56.400 0.087 0.000 0.801 274 E CB -0.254 29.472 29.700 0.043 0.000 0.750 274 E HN 0.407 nan 8.360 nan 0.000 0.452 275 L N 0.470 121.694 121.223 0.001 0.000 2.046 275 L HA -0.240 4.101 4.340 0.002 0.000 0.208 275 L C 2.607 179.569 176.870 0.154 0.000 1.077 275 L CA 0.806 55.676 54.840 0.050 0.000 0.747 275 L CB -0.463 41.560 42.059 -0.061 0.000 0.896 275 L HN 0.326 nan 8.230 nan 0.000 0.432 276 C N 0.023 119.374 119.300 0.085 0.000 2.413 276 C HA -0.172 4.289 4.460 0.002 0.000 0.276 276 C C 2.726 177.882 174.990 0.276 0.000 1.236 276 C CA 0.589 59.666 59.018 0.097 0.000 1.735 276 C CB -0.669 27.018 27.740 -0.087 0.000 2.031 276 C HN 0.428 nan 8.230 nan 0.000 0.474 277 I N 0.175 120.943 120.570 0.329 0.000 2.226 277 I HA -0.256 3.916 4.170 0.002 0.000 0.245 277 I C 2.702 178.882 176.117 0.104 0.000 1.100 277 I CA 1.499 62.953 61.300 0.257 0.000 1.374 277 I CB -0.656 37.458 38.000 0.190 0.000 1.057 277 I HN 0.423 nan 8.210 nan 0.000 0.413 278 Q N 0.139 119.972 119.800 0.055 0.000 2.135 278 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 278 Q C 1.498 177.387 176.000 -0.184 0.000 0.981 278 Q CA 1.274 57.031 55.803 -0.077 0.000 0.856 278 Q CB 0.088 28.760 28.738 -0.111 0.000 0.902 278 Q HN 0.535 nan 8.270 nan 0.000 0.425 279 H N -1.879 117.176 119.070 -0.026 0.000 2.610 279 H HA 0.206 4.763 4.556 0.002 0.000 0.302 279 H C 0.729 176.029 175.328 -0.046 0.000 1.063 279 H CA 0.699 56.705 56.048 -0.070 0.000 1.159 279 H CB 0.604 30.278 29.762 -0.146 0.000 1.427 279 H HN 0.513 nan 8.280 nan 0.000 0.553 280 G N 0.627 109.458 108.800 0.052 0.000 2.176 280 G HA2 -0.246 3.715 3.960 0.002 0.000 0.232 280 G HA3 -0.246 3.715 3.960 0.002 0.000 0.232 280 G C 0.009 174.969 174.900 0.099 0.000 0.986 280 G CA -0.039 45.084 45.100 0.039 0.000 0.643 280 G HN 0.417 nan 8.290 nan 0.000 0.522 281 W N 2.726 124.001 121.300 -0.042 0.000 2.216 281 W HA 0.616 5.277 4.660 0.002 0.000 0.326 281 W C 0.311 176.816 176.519 -0.023 0.000 1.319 281 W CA 0.461 57.786 57.345 -0.034 0.000 1.213 281 W CB 0.725 30.176 29.460 -0.014 0.000 1.171 281 W HN 0.046 nan 8.180 nan 0.000 0.557 282 T N 9.628 123.821 114.554 -0.601 0.000 2.739 282 T HA 0.182 4.533 4.350 0.002 0.000 0.298 282 T C -2.074 171.852 174.700 -1.290 0.000 0.929 282 T CA -0.911 60.797 62.100 -0.654 0.000 1.014 282 T CB 0.342 68.972 68.868 -0.397 0.000 0.914 282 T HN 0.234 nan 8.240 nan 0.000 0.509 283 P HA 0.252 nan 4.420 nan 0.000 0.272 283 P C 0.418 177.285 177.300 -0.721 0.000 1.223 283 P CA -0.212 62.177 63.100 -1.185 0.000 0.784 283 P CB 0.892 32.261 31.700 -0.552 0.000 0.923 284 G N 1.256 109.801 108.800 -0.425 0.000 2.641 284 G HA2 0.292 4.253 3.960 0.002 0.000 0.239 284 G HA3 0.292 4.253 3.960 0.002 0.000 0.239 284 G C 0.285 174.978 174.900 -0.345 0.000 1.402 284 G CA -0.507 44.487 45.100 -0.176 0.000 1.046 284 G HN 0.715 nan 8.290 nan 0.000 0.565 285 N N -0.727 117.922 118.700 -0.085 0.000 2.381 285 N HA 0.193 4.934 4.740 0.002 0.000 0.257 285 N C 0.261 175.851 175.510 0.133 0.000 1.409 285 N CA 0.088 53.078 53.050 -0.100 0.000 0.836 285 N CB 0.493 38.892 38.487 -0.146 0.000 1.384 285 N HN 0.671 nan 8.380 nan 0.000 0.490 286 G N 0.287 109.249 108.800 0.271 0.000 2.613 286 G HA2 0.398 4.360 3.960 0.002 0.000 0.303 286 G HA3 0.398 4.360 3.960 0.002 0.000 0.303 286 G C 0.444 175.429 174.900 0.141 0.000 1.312 286 G CA -0.645 44.572 45.100 0.195 0.000 1.036 286 G HN 0.115 nan 8.290 nan 0.000 0.513 287 R N -1.370 119.139 120.500 0.015 0.000 2.254 287 R HA 0.150 4.492 4.340 0.002 0.000 0.195 287 R C -0.178 175.675 176.300 -0.746 0.000 0.957 287 R CA 0.608 56.517 56.100 -0.319 0.000 1.024 287 R CB 0.146 30.214 30.300 -0.387 0.000 0.952 287 R HN 0.390 nan 8.270 nan 0.000 0.484 288 F N 0.696 120.582 119.950 -0.105 0.000 2.623 288 F HA 0.250 4.778 4.527 0.002 0.000 0.361 288 F C -0.763 175.011 175.800 -0.043 0.000 1.469 288 F CA -1.118 56.582 58.000 -0.499 0.000 1.126 288 F CB 0.664 39.152 39.000 -0.853 0.000 1.221 288 F HN -0.300 nan 8.300 nan 0.000 0.536 289 D N 1.849 122.403 120.400 0.257 0.000 2.339 289 D HA 0.160 4.801 4.640 0.002 0.000 0.241 289 D C 0.265 176.798 176.300 0.389 0.000 1.183 289 D CA 0.173 54.386 54.000 0.356 0.000 0.859 289 D CB 2.024 43.080 40.800 0.427 0.000 1.067 289 D HN -0.035 nan 8.370 nan 0.000 0.484 290 V N 4.081 124.203 119.914 0.348 0.000 2.493 290 V HA -0.058 4.063 4.120 0.002 0.000 0.292 290 V C 1.082 177.179 176.094 0.006 0.000 1.016 290 V CA -0.053 62.330 62.300 0.137 0.000 1.097 290 V CB 0.028 31.893 31.823 0.070 0.000 0.947 290 V HN 0.337 nan 8.190 nan 0.000 0.479 291 L N 8.453 129.578 121.223 -0.163 0.000 2.464 291 L HA 0.346 4.687 4.340 0.002 0.000 0.264 291 L C -1.646 174.972 176.870 -0.420 0.000 1.199 291 L CA -1.277 53.313 54.840 -0.416 0.000 0.818 291 L CB 0.721 42.560 42.059 -0.367 0.000 1.102 291 L HN 0.492 nan 8.230 nan 0.000 0.473 292 P HA 0.296 nan 4.420 nan 0.000 0.280 292 P C -1.259 175.864 177.300 -0.295 0.000 1.272 292 P CA -0.600 62.243 63.100 -0.429 0.000 0.819 292 P CB 1.165 32.500 31.700 -0.610 0.000 1.122 293 L N 0.908 122.042 121.223 -0.149 0.000 2.307 293 L HA 0.422 4.763 4.340 0.002 0.000 0.282 293 L C 0.407 177.239 176.870 -0.064 0.000 1.051 293 L CA -0.785 54.012 54.840 -0.070 0.000 0.804 293 L CB 0.645 42.720 42.059 0.025 0.000 1.197 293 L HN 0.200 nan 8.230 nan 0.000 0.431 294 L N 5.184 126.354 121.223 -0.089 0.000 2.277 294 L HA 0.484 4.825 4.340 0.002 0.000 0.284 294 L C -0.608 176.163 176.870 -0.166 0.000 1.028 294 L CA -0.259 54.446 54.840 -0.224 0.000 0.835 294 L CB 1.047 42.889 42.059 -0.362 0.000 1.215 294 L HN 0.460 nan 8.230 nan 0.000 0.425 295 L N 3.934 125.097 121.223 -0.099 0.000 2.329 295 L HA 0.543 4.884 4.340 0.002 0.000 0.279 295 L C -0.338 176.460 176.870 -0.119 0.000 1.014 295 L CA -0.457 54.345 54.840 -0.063 0.000 0.814 295 L CB 1.963 43.982 42.059 -0.066 0.000 1.257 295 L HN 0.555 nan 8.230 nan 0.000 0.424 296 Q N 2.215 121.979 119.800 -0.061 0.000 2.310 296 Q HA 0.692 5.033 4.340 0.002 0.000 0.270 296 Q C -1.209 174.744 176.000 -0.078 0.000 1.025 296 Q CA -0.583 55.184 55.803 -0.060 0.000 0.772 296 Q CB 2.283 31.066 28.738 0.076 0.000 1.253 296 Q HN 0.792 nan 8.270 nan 0.000 0.450 297 A N 4.835 127.561 122.820 -0.157 0.000 2.286 297 A HA 0.653 4.974 4.320 0.002 0.000 0.286 297 A C -2.418 174.911 177.584 -0.425 0.000 1.097 297 A CA -1.623 50.177 52.037 -0.396 0.000 0.821 297 A CB 0.135 19.000 19.000 -0.224 0.000 1.076 297 A HN 0.628 nan 8.150 nan 0.000 0.490 298 P HA -0.018 nan 4.420 nan 0.000 0.261 298 P C -0.555 176.638 177.300 -0.179 0.000 1.165 298 P CA 0.908 63.778 63.100 -0.383 0.000 0.759 298 P CB 0.108 31.566 31.700 -0.404 0.000 0.772 299 D N -0.080 120.265 120.400 -0.092 0.000 2.860 299 D HA -0.190 4.451 4.640 0.002 0.000 0.229 299 D C 0.062 176.346 176.300 -0.027 0.000 1.169 299 D CA 1.343 55.321 54.000 -0.036 0.000 0.737 299 D CB -0.466 40.316 40.800 -0.031 0.000 1.080 299 D HN 0.449 nan 8.370 nan 0.000 0.424 300 E N -0.714 119.463 120.200 -0.040 0.000 2.299 300 E HA 0.687 5.038 4.350 0.002 0.000 0.265 300 E C 0.026 176.611 176.600 -0.025 0.000 0.911 300 E CA -0.784 55.595 56.400 -0.034 0.000 0.789 300 E CB 1.607 31.271 29.700 -0.059 0.000 1.246 300 E HN 0.119 nan 8.360 nan 0.000 0.427 301 A N 2.842 125.644 122.820 -0.031 0.000 2.445 301 A HA 0.375 4.696 4.320 0.002 0.000 0.242 301 A C -1.995 175.467 177.584 -0.204 0.000 1.075 301 A CA -0.875 51.126 52.037 -0.060 0.000 0.777 301 A CB -0.496 18.498 19.000 -0.011 0.000 1.013 301 A HN 0.290 nan 8.150 nan 0.000 0.493 302 P HA 0.189 nan 4.420 nan 0.000 0.271 302 P C -0.655 176.346 177.300 -0.499 0.000 1.218 302 P CA 0.119 62.818 63.100 -0.668 0.000 0.780 302 P CB 0.753 31.541 31.700 -1.520 0.000 0.901 303 E N 0.732 120.744 120.200 -0.313 0.000 2.207 303 E HA 0.423 4.774 4.350 0.002 0.000 0.270 303 E C -0.755 175.616 176.600 -0.382 0.000 0.927 303 E CA -1.062 55.158 56.400 -0.300 0.000 0.799 303 E CB 1.408 31.000 29.700 -0.180 0.000 1.172 303 E HN 0.282 nan 8.360 nan 0.000 0.404 304 L N 3.226 124.114 121.223 -0.558 0.000 2.292 304 L HA 0.431 4.772 4.340 0.002 0.000 0.284 304 L C -1.598 174.764 176.870 -0.847 0.000 1.065 304 L CA 0.172 54.718 54.840 -0.490 0.000 0.806 304 L CB 0.112 41.996 42.059 -0.291 0.000 1.175 304 L HN 0.397 nan 8.230 nan 0.000 0.431 305 F N 4.093 123.801 119.950 -0.402 0.000 2.561 305 F HA 0.485 5.014 4.527 0.002 0.000 0.313 305 F C -0.337 175.184 175.800 -0.465 0.000 1.126 305 F CA -0.913 56.695 58.000 -0.653 0.000 0.918 305 F CB 1.844 40.034 39.000 -1.350 0.000 1.199 305 F HN 0.012 nan 8.300 nan 0.000 0.444 306 V N 4.661 124.479 119.914 -0.160 0.000 2.383 306 V HA 0.286 4.407 4.120 0.002 0.000 0.275 306 V C 0.213 176.403 176.094 0.159 0.000 1.036 306 V CA -0.740 61.562 62.300 0.003 0.000 0.889 306 V CB 1.271 33.138 31.823 0.073 0.000 0.985 306 V HN 0.554 nan 8.190 nan 0.000 0.459 307 L N 7.294 128.626 121.223 0.182 0.000 2.455 307 L HA 0.246 4.587 4.340 0.002 0.000 0.272 307 L C -2.079 174.898 176.870 0.180 0.000 1.174 307 L CA -1.419 53.574 54.840 0.254 0.000 0.869 307 L CB 0.514 42.653 42.059 0.133 0.000 1.130 307 L HN 0.433 nan 8.230 nan 0.000 0.474 308 P HA 0.056 nan 4.420 nan 0.000 0.265 308 P C -1.977 175.372 177.300 0.080 0.000 1.222 308 P CA -0.889 62.281 63.100 0.116 0.000 0.767 308 P CB 0.456 32.207 31.700 0.086 0.000 0.801 309 P HA -0.275 nan 4.420 nan 0.000 0.218 309 P C 1.420 178.750 177.300 0.051 0.000 1.154 309 P CA 1.508 64.650 63.100 0.069 0.000 0.872 309 P CB -0.180 31.564 31.700 0.072 0.000 0.790 310 E N -0.535 119.691 120.200 0.044 0.000 2.401 310 E HA -0.146 4.205 4.350 0.002 0.000 0.199 310 E C 1.433 178.048 176.600 0.025 0.000 1.023 310 E CA 1.121 57.539 56.400 0.031 0.000 0.859 310 E CB -0.941 28.774 29.700 0.025 0.000 0.780 310 E HN 0.247 nan 8.360 nan 0.000 0.523 311 L N 0.727 121.966 121.223 0.027 0.000 2.446 311 L HA 0.062 4.403 4.340 0.002 0.000 0.219 311 L C 0.827 177.710 176.870 0.023 0.000 1.116 311 L CA 0.446 55.297 54.840 0.018 0.000 0.844 311 L CB 0.397 42.459 42.059 0.005 0.000 0.970 311 L HN -0.115 nan 8.230 nan 0.000 0.457 312 V N 1.812 121.743 119.914 0.027 0.000 2.284 312 V HA 0.167 4.288 4.120 0.002 0.000 0.260 312 V C -0.000 176.121 176.094 0.046 0.000 1.084 312 V CA -0.708 61.607 62.300 0.026 0.000 0.894 312 V CB 0.757 32.587 31.823 0.012 0.000 1.119 312 V HN 0.002 nan 8.190 nan 0.000 0.484 313 L N 5.674 126.930 121.223 0.055 0.000 2.410 313 L HA 0.378 4.719 4.340 0.002 0.000 0.273 313 L C 0.234 177.144 176.870 0.066 0.000 1.144 313 L CA 0.768 55.636 54.840 0.046 0.000 0.863 313 L CB 0.235 42.317 42.059 0.038 0.000 1.140 313 L HN 0.644 nan 8.230 nan 0.000 0.463 314 E N 3.484 123.702 120.200 0.029 0.000 2.312 314 E HA 0.553 4.904 4.350 0.002 0.000 0.267 314 E C -1.416 175.134 176.600 -0.084 0.000 0.894 314 E CA -1.020 55.397 56.400 0.028 0.000 0.773 314 E CB 2.467 32.213 29.700 0.076 0.000 1.241 314 E HN 0.346 nan 8.360 nan 0.000 0.432 315 V N 3.075 122.902 119.914 -0.146 0.000 2.378 315 V HA 0.290 4.411 4.120 0.002 0.000 0.288 315 V C -2.396 173.627 176.094 -0.118 0.000 1.016 315 V CA -2.072 60.078 62.300 -0.249 0.000 0.840 315 V CB 1.246 32.663 31.823 -0.677 0.000 0.994 315 V HN 0.524 nan 8.190 nan 0.000 0.431 316 P HA 0.245 nan 4.420 nan 0.000 0.271 316 P C -0.598 176.702 177.300 0.001 0.000 1.220 316 P CA -0.027 63.038 63.100 -0.058 0.000 0.768 316 P CB 0.490 32.163 31.700 -0.045 0.000 0.848 317 L N 4.233 125.488 121.223 0.054 0.000 2.276 317 L HA 0.450 4.791 4.340 0.002 0.000 0.286 317 L C 1.045 178.091 176.870 0.294 0.000 1.061 317 L CA -0.119 54.833 54.840 0.186 0.000 0.807 317 L CB 0.439 42.667 42.059 0.281 0.000 1.177 317 L HN 0.474 nan 8.230 nan 0.000 0.429 318 E N 1.945 122.316 120.200 0.286 0.000 2.429 318 E HA 0.407 4.758 4.350 0.002 0.000 0.276 318 E C -1.390 175.310 176.600 0.166 0.000 0.953 318 E CA -0.961 55.636 56.400 0.328 0.000 0.787 318 E CB 2.354 32.178 29.700 0.207 0.000 1.307 318 E HN 0.462 nan 8.360 nan 0.000 0.458 319 H N 1.401 120.412 119.070 -0.097 0.000 2.472 319 H HA 0.234 4.791 4.556 0.002 0.000 0.338 319 H C -1.765 173.306 175.328 -0.428 0.000 1.133 319 H CA -2.247 53.561 56.048 -0.400 0.000 1.216 319 H CB 2.005 31.392 29.762 -0.624 0.000 1.497 319 H HN 0.393 nan 8.280 nan 0.000 0.500 320 P HA -0.125 nan 4.420 nan 0.000 0.219 320 P C 0.858 178.000 177.300 -0.264 0.000 1.146 320 P CA 1.760 64.355 63.100 -0.841 0.000 0.808 320 P CB 0.423 31.590 31.700 -0.889 0.000 0.779 321 T N -5.271 109.330 114.554 0.078 0.000 2.993 321 T HA 0.213 4.564 4.350 0.002 0.000 0.260 321 T C 0.686 175.338 174.700 -0.080 0.000 0.939 321 T CA -0.241 61.872 62.100 0.022 0.000 0.886 321 T CB -0.529 68.355 68.868 0.026 0.000 1.209 321 T HN -0.055 nan 8.240 nan 0.000 0.518 322 L N 2.834 123.914 121.223 -0.238 0.000 2.358 322 L HA 0.471 4.812 4.340 0.002 0.000 0.274 322 L C 1.613 178.123 176.870 -0.600 0.000 1.136 322 L CA -0.437 53.971 54.840 -0.719 0.000 0.970 322 L CB 0.994 42.164 42.059 -1.482 0.000 1.314 322 L HN 0.129 nan 8.230 nan 0.000 0.427 323 E N 3.205 123.231 120.200 -0.289 0.000 2.233 323 E HA -0.231 4.120 4.350 0.002 0.000 0.199 323 E C 1.736 178.316 176.600 -0.032 0.000 1.004 323 E CA 2.060 58.402 56.400 -0.095 0.000 0.819 323 E CB 0.095 29.805 29.700 0.016 0.000 0.738 323 E HN 0.708 nan 8.360 nan 0.000 0.478 324 W N -1.123 120.226 121.300 0.081 0.000 2.770 324 W HA 0.010 4.671 4.660 0.002 0.000 0.256 324 W C 1.439 178.013 176.519 0.091 0.000 1.291 324 W CA -0.218 57.167 57.345 0.067 0.000 1.396 324 W CB -1.050 28.430 29.460 0.034 0.000 1.114 324 W HN -0.003 nan 8.180 nan 0.000 0.637 325 F N 3.143 122.877 119.950 -0.361 0.000 2.091 325 F HA -0.191 4.337 4.527 0.002 0.000 0.299 325 F C 2.742 178.579 175.800 0.061 0.000 1.103 325 F CA 3.219 61.121 58.000 -0.163 0.000 1.228 325 F CB -0.718 38.064 39.000 -0.363 0.000 0.984 325 F HN -0.074 nan 8.300 nan 0.000 0.477 326 A N 0.156 123.090 122.820 0.190 0.000 1.986 326 A HA -0.180 4.141 4.320 0.002 0.000 0.220 326 A C 2.302 179.920 177.584 0.057 0.000 1.171 326 A CA 1.787 53.900 52.037 0.127 0.000 0.640 326 A CB -1.575 17.495 19.000 0.116 0.000 0.811 326 A HN 0.496 nan 8.150 nan 0.000 0.451 327 A N -0.615 122.257 122.820 0.086 0.000 2.178 327 A HA 0.069 4.391 4.320 0.002 0.000 0.218 327 A C 1.908 179.515 177.584 0.039 0.000 1.157 327 A CA 1.135 53.218 52.037 0.077 0.000 0.689 327 A CB -0.552 18.522 19.000 0.123 0.000 0.787 327 A HN 0.510 nan 8.150 nan 0.000 0.465 328 L N -1.181 120.028 121.223 -0.023 0.000 2.465 328 L HA 0.043 4.384 4.340 0.002 0.000 0.224 328 L C 1.755 178.617 176.870 -0.014 0.000 1.145 328 L CA 0.570 55.374 54.840 -0.060 0.000 0.834 328 L CB -0.499 41.415 42.059 -0.241 0.000 0.944 328 L HN 0.575 nan 8.230 nan 0.000 0.451 329 G N 0.962 109.751 108.800 -0.019 0.000 2.249 329 G HA2 -0.284 3.677 3.960 0.002 0.000 0.273 329 G HA3 -0.284 3.677 3.960 0.002 0.000 0.273 329 G C 0.113 174.968 174.900 -0.076 0.000 1.036 329 G CA 0.004 45.099 45.100 -0.009 0.000 0.824 329 G HN 0.250 nan 8.290 nan 0.000 0.504 330 L N -0.429 120.720 121.223 -0.123 0.000 2.399 330 L HA 0.834 5.175 4.340 0.002 0.000 0.266 330 L C 1.057 177.700 176.870 -0.379 0.000 1.114 330 L CA -0.781 53.913 54.840 -0.245 0.000 0.804 330 L CB 1.137 43.169 42.059 -0.045 0.000 1.146 330 L HN 0.590 nan 8.230 nan 0.000 0.451 331 R N 1.253 121.340 120.500 -0.688 0.000 2.728 331 R HA 0.499 4.840 4.340 0.002 0.000 0.274 331 R C -2.188 174.047 176.300 -0.108 0.000 1.030 331 R CA -1.022 54.851 56.100 -0.379 0.000 0.876 331 R CB 1.772 31.795 30.300 -0.461 0.000 1.259 331 R HN 0.649 nan 8.270 nan 0.000 0.468 332 W N 1.644 122.911 121.300 -0.055 0.000 3.248 332 W HA 0.317 4.978 4.660 0.002 0.000 0.311 332 W C -1.259 175.366 176.519 0.176 0.000 1.258 332 W CA -0.956 56.464 57.345 0.125 0.000 1.191 332 W CB 1.855 31.307 29.460 -0.013 0.000 1.389 332 W HN 0.698 nan 8.180 nan 0.000 0.561 333 Y N 1.353 121.602 120.300 -0.086 0.000 2.326 333 Y HA 0.523 5.074 4.550 0.002 0.000 0.333 333 Y C 0.832 176.985 175.900 0.421 0.000 1.240 333 Y CA 0.265 58.401 58.100 0.060 0.000 1.365 333 Y CB 0.190 38.551 38.460 -0.166 0.000 1.289 333 Y HN 0.348 nan 8.280 nan 0.000 0.548 334 A N 2.254 125.353 122.820 0.465 0.000 1.970 334 A HA 0.048 4.369 4.320 0.002 0.000 0.216 334 A C 0.596 178.522 177.584 0.571 0.000 1.170 334 A CA 0.401 52.749 52.037 0.519 0.000 0.645 334 A CB -0.337 18.805 19.000 0.237 0.000 0.816 334 A HN 0.672 nan 8.150 nan 0.000 0.447 335 L N 2.081 123.596 121.223 0.486 0.000 2.255 335 L HA 0.395 4.736 4.340 0.002 0.000 0.289 335 L C -2.525 174.489 176.870 0.240 0.000 1.046 335 L CA -2.240 52.779 54.840 0.299 0.000 0.816 335 L CB 1.362 43.527 42.059 0.177 0.000 1.197 335 L HN -0.006 nan 8.230 nan 0.000 0.427 336 P HA 0.306 nan 4.420 nan 0.000 0.284 336 P C -1.370 175.827 177.300 -0.172 0.000 1.432 336 P CA -0.345 62.597 63.100 -0.264 0.000 0.929 336 P CB 1.244 32.358 31.700 -0.978 0.000 1.158 337 A N 4.709 127.438 122.820 -0.152 0.000 2.586 337 A HA 0.387 4.709 4.320 0.002 0.000 0.320 337 A C -0.040 177.305 177.584 -0.399 0.000 1.281 337 A CA -0.661 51.210 52.037 -0.278 0.000 0.775 337 A CB 0.544 19.404 19.000 -0.234 0.000 1.122 337 A HN 0.297 nan 8.150 nan 0.000 0.470 338 V N 2.724 122.222 119.914 -0.694 0.000 2.529 338 V HA 0.160 4.281 4.120 0.002 0.000 0.292 338 V C 1.282 176.983 176.094 -0.654 0.000 1.028 338 V CA 1.358 63.229 62.300 -0.715 0.000 1.074 338 V CB 0.922 32.108 31.823 -1.061 0.000 0.958 338 V HN 1.055 nan 8.190 nan 0.000 0.481 339 S N 1.731 117.257 115.700 -0.290 0.000 2.733 339 S HA 0.053 4.524 4.470 0.002 0.000 0.247 339 S C 0.811 175.406 174.600 -0.008 0.000 1.043 339 S CA 0.071 58.189 58.200 -0.136 0.000 1.066 339 S CB -0.392 62.760 63.200 -0.080 0.000 1.045 339 S HN 0.918 nan 8.310 nan 0.000 0.586 340 N N 0.474 119.176 118.700 0.003 0.000 2.203 340 N HA 0.284 5.026 4.740 0.002 0.000 0.207 340 N C 0.155 175.731 175.510 0.110 0.000 1.130 340 N CA -0.482 52.607 53.050 0.066 0.000 0.861 340 N CB 0.109 38.636 38.487 0.066 0.000 1.005 340 N HN 0.278 nan 8.380 nan 0.000 0.507 341 M N 1.368 121.054 119.600 0.144 0.000 2.409 341 M HA 0.321 4.802 4.480 0.002 0.000 0.329 341 M C -0.615 175.832 176.300 0.245 0.000 1.180 341 M CA -0.833 54.593 55.300 0.211 0.000 1.053 341 M CB 2.510 35.276 32.600 0.276 0.000 1.586 341 M HN 0.113 nan 8.290 nan 0.000 0.461 342 L N 2.998 124.337 121.223 0.195 0.000 2.289 342 L HA 0.520 4.862 4.340 0.002 0.000 0.285 342 L C -1.319 175.638 176.870 0.144 0.000 1.049 342 L CA -0.891 54.045 54.840 0.160 0.000 0.804 342 L CB 1.110 43.216 42.059 0.078 0.000 1.195 342 L HN 0.593 nan 8.230 nan 0.000 0.428 343 L N 5.285 126.580 121.223 0.121 0.000 2.272 343 L HA 0.458 4.799 4.340 0.002 0.000 0.289 343 L C -0.551 176.304 176.870 -0.025 0.000 1.032 343 L CA 0.202 54.978 54.840 -0.107 0.000 0.810 343 L CB 1.202 43.175 42.059 -0.144 0.000 1.205 343 L HN 0.621 nan 8.230 nan 0.000 0.422 344 E N 6.649 126.757 120.200 -0.153 0.000 2.145 344 E HA 0.398 4.749 4.350 0.002 0.000 0.270 344 E C -1.604 174.894 176.600 -0.170 0.000 0.906 344 E CA -0.420 55.913 56.400 -0.111 0.000 0.761 344 E CB 1.098 30.733 29.700 -0.109 0.000 1.116 344 E HN 0.730 nan 8.360 nan 0.000 0.408 345 I N 2.549 123.024 120.570 -0.158 0.000 2.478 345 I HA 0.283 4.455 4.170 0.002 0.000 0.287 345 I C 0.857 176.727 176.117 -0.411 0.000 1.042 345 I CA -0.705 60.369 61.300 -0.377 0.000 1.067 345 I CB 2.027 39.744 38.000 -0.471 0.000 1.233 345 I HN 0.783 nan 8.210 nan 0.000 0.431 346 G N 4.182 112.756 108.800 -0.376 0.000 2.321 346 G HA2 -0.137 3.824 3.960 0.002 0.000 0.287 346 G HA3 -0.137 3.824 3.960 0.002 0.000 0.287 346 G C 1.027 175.982 174.900 0.090 0.000 1.018 346 G CA 0.792 45.879 45.100 -0.022 0.000 0.855 346 G HN 1.568 nan 8.290 nan 0.000 0.507 347 G N -2.012 106.784 108.800 -0.008 0.000 2.225 347 G HA2 -0.246 3.715 3.960 0.002 0.000 0.254 347 G HA3 -0.246 3.715 3.960 0.002 0.000 0.254 347 G C 0.515 175.349 174.900 -0.110 0.000 0.988 347 G CA 0.493 45.589 45.100 -0.008 0.000 0.625 347 G HN 1.273 nan 8.290 nan 0.000 0.527 348 L N 0.823 121.921 121.223 -0.208 0.000 2.375 348 L HA 0.588 4.929 4.340 0.002 0.000 0.271 348 L C 0.319 176.946 176.870 -0.405 0.000 1.107 348 L CA -0.364 54.234 54.840 -0.403 0.000 0.806 348 L CB 1.101 42.823 42.059 -0.561 0.000 1.146 348 L HN 0.206 nan 8.230 nan 0.000 0.447 349 E N 2.468 122.350 120.200 -0.530 0.000 2.199 349 E HA 0.383 4.734 4.350 0.002 0.000 0.265 349 E C -1.522 174.731 176.600 -0.580 0.000 0.882 349 E CA -0.439 55.727 56.400 -0.390 0.000 0.759 349 E CB 1.841 31.417 29.700 -0.208 0.000 1.148 349 E HN 0.261 nan 8.360 nan 0.000 0.412 350 F N 1.924 121.829 119.950 -0.075 0.000 2.311 350 F HA 0.108 4.636 4.527 0.002 0.000 0.371 350 F C 1.452 177.275 175.800 0.038 0.000 1.083 350 F CA -0.546 57.438 58.000 -0.026 0.000 1.113 350 F CB 1.165 40.131 39.000 -0.055 0.000 1.349 350 F HN 0.436 nan 8.300 nan 0.000 0.470 351 S N 1.250 117.039 115.700 0.148 0.000 2.507 351 S HA 0.172 4.643 4.470 0.002 0.000 0.235 351 S C 0.795 175.516 174.600 0.201 0.000 0.988 351 S CA 0.406 58.694 58.200 0.146 0.000 0.944 351 S CB -0.023 63.242 63.200 0.109 0.000 0.762 351 S HN 0.512 nan 8.310 nan 0.000 0.526 352 A N 0.420 123.405 122.820 0.275 0.000 2.522 352 A HA 0.810 5.131 4.320 0.002 0.000 0.285 352 A C -0.245 177.582 177.584 0.405 0.000 1.198 352 A CA -0.153 52.075 52.037 0.319 0.000 0.742 352 A CB 0.892 20.068 19.000 0.294 0.000 1.176 352 A HN 0.936 nan 8.150 nan 0.000 0.444 353 A N 4.096 127.108 122.820 0.320 0.000 3.300 353 A HA 0.656 4.977 4.320 0.002 0.000 0.300 353 A C -2.937 174.807 177.584 0.267 0.000 1.099 353 A CA -1.062 51.131 52.037 0.259 0.000 0.846 353 A CB 0.407 19.551 19.000 0.239 0.000 1.255 353 A HN 0.506 nan 8.150 nan 0.000 0.519 354 P HA 0.339 nan 4.420 nan 0.000 0.264 354 P C -0.739 176.604 177.300 0.071 0.000 1.193 354 P CA 0.548 63.640 63.100 -0.014 0.000 0.763 354 P CB 0.193 31.841 31.700 -0.086 0.000 0.810 355 F N 0.226 120.141 119.950 -0.058 0.000 2.603 355 F HA 0.804 5.332 4.527 0.002 0.000 0.317 355 F C -0.609 175.118 175.800 -0.121 0.000 1.066 355 F CA -1.194 56.765 58.000 -0.069 0.000 0.941 355 F CB 1.683 40.513 39.000 -0.283 0.000 1.291 355 F HN 0.437 nan 8.300 nan 0.000 0.472 356 S N 0.145 115.942 115.700 0.162 0.000 2.570 356 S HA 0.938 5.409 4.470 0.002 0.000 0.270 356 S C -0.811 173.761 174.600 -0.046 0.000 1.149 356 S CA -0.187 58.034 58.200 0.035 0.000 0.837 356 S CB 1.416 64.684 63.200 0.114 0.000 1.124 356 S HN 1.557 nan 8.310 nan 0.000 0.465 357 G N -0.156 108.577 108.800 -0.112 0.000 3.354 357 G HA2 0.712 4.673 3.960 0.002 0.000 0.174 357 G HA3 0.712 4.673 3.960 0.002 0.000 0.174 357 G C -1.651 173.271 174.900 0.038 0.000 1.140 357 G CA -0.232 44.748 45.100 -0.200 0.000 0.897 357 G HN 1.182 nan 8.290 nan 0.000 0.685 358 W N -1.207 120.111 121.300 0.030 0.000 2.962 358 W HA 0.830 5.491 4.660 0.002 0.000 0.341 358 W C -1.582 174.954 176.519 0.029 0.000 1.155 358 W CA -2.083 55.292 57.345 0.050 0.000 1.165 358 W CB 0.500 30.027 29.460 0.113 0.000 1.435 358 W HN 0.391 nan 8.180 nan 0.000 0.546 359 Y N 2.534 123.018 120.300 0.308 0.000 2.326 359 Y HA 0.289 4.841 4.550 0.002 0.000 0.333 359 Y C 0.778 176.739 175.900 0.103 0.000 1.240 359 Y CA -0.764 57.402 58.100 0.109 0.000 1.365 359 Y CB 1.136 39.565 38.460 -0.051 0.000 1.289 359 Y HN 0.456 nan 8.280 nan 0.000 0.548 360 M N 1.928 121.682 119.600 0.256 0.000 2.238 360 M HA 0.207 4.688 4.480 0.002 0.000 0.350 360 M C 1.025 177.318 176.300 -0.011 0.000 1.138 360 M CA -0.319 55.059 55.300 0.129 0.000 1.040 360 M CB 1.197 33.854 32.600 0.095 0.000 1.639 360 M HN 0.835 nan 8.290 nan 0.000 0.451 361 S N 1.378 117.030 115.700 -0.079 0.000 2.407 361 S HA -0.213 4.258 4.470 0.002 0.000 0.235 361 S C 1.471 175.925 174.600 -0.244 0.000 1.036 361 S CA 2.264 60.338 58.200 -0.210 0.000 1.013 361 S CB -1.427 61.693 63.200 -0.133 0.000 0.820 361 S HN 0.931 nan 8.310 nan 0.000 0.476 362 T N 0.174 114.614 114.554 -0.191 0.000 2.881 362 T HA -0.047 4.304 4.350 0.002 0.000 0.270 362 T C 1.571 176.105 174.700 -0.276 0.000 1.068 362 T CA 1.255 63.194 62.100 -0.268 0.000 1.131 362 T CB -0.609 68.064 68.868 -0.325 0.000 0.871 362 T HN 0.612 nan 8.240 nan 0.000 0.479 363 E N 0.898 120.953 120.200 -0.243 0.000 2.085 363 E HA -0.057 4.294 4.350 0.002 0.000 0.194 363 E C 2.054 178.363 176.600 -0.484 0.000 0.994 363 E CA 1.413 57.665 56.400 -0.247 0.000 0.801 363 E CB -0.289 29.387 29.700 -0.040 0.000 0.743 363 E HN 0.605 nan 8.360 nan 0.000 0.453 364 I N 0.027 120.175 120.570 -0.703 0.000 2.368 364 I HA -0.039 4.132 4.170 0.002 0.000 0.238 364 I C 2.614 178.365 176.117 -0.609 0.000 1.076 364 I CA 0.838 61.556 61.300 -0.968 0.000 1.397 364 I CB -0.602 36.736 38.000 -1.104 0.000 1.141 364 I HN 0.100 nan 8.210 nan 0.000 0.430 365 G N 0.359 108.906 108.800 -0.421 0.000 2.442 365 G HA2 -0.186 3.775 3.960 0.002 0.000 0.219 365 G HA3 -0.186 3.775 3.960 0.002 0.000 0.219 365 G C 1.614 176.391 174.900 -0.205 0.000 1.141 365 G CA 1.632 46.581 45.100 -0.252 0.000 0.763 365 G HN 0.306 nan 8.290 nan 0.000 0.554 366 T N -0.094 114.315 114.554 -0.241 0.000 2.990 366 T HA 0.098 4.449 4.350 0.002 0.000 0.237 366 T C 2.541 177.128 174.700 -0.189 0.000 1.009 366 T CA 0.310 62.290 62.100 -0.199 0.000 1.195 366 T CB 0.052 68.784 68.868 -0.227 0.000 0.885 366 T HN 0.015 nan 8.240 nan 0.000 0.424 367 R N 1.968 122.335 120.500 -0.222 0.000 2.055 367 R HA 0.147 4.488 4.340 0.002 0.000 0.228 367 R C 2.187 178.366 176.300 -0.201 0.000 1.143 367 R CA 1.078 57.061 56.100 -0.196 0.000 0.945 367 R CB -1.196 28.993 30.300 -0.186 0.000 0.841 367 R HN 0.316 nan 8.270 nan 0.000 0.429 368 N N 0.966 119.487 118.700 -0.298 0.000 2.120 368 N HA -0.081 4.660 4.740 0.002 0.000 0.188 368 N C 1.969 177.380 175.510 -0.165 0.000 1.024 368 N CA 1.092 53.955 53.050 -0.313 0.000 0.852 368 N CB -0.237 37.727 38.487 -0.873 0.000 1.003 368 N HN 0.181 nan 8.380 nan 0.000 0.424 369 L N -0.788 120.299 121.223 -0.227 0.000 2.249 369 L HA 0.066 4.407 4.340 0.002 0.000 0.207 369 L C 1.476 178.368 176.870 0.036 0.000 1.090 369 L CA 0.450 55.260 54.840 -0.050 0.000 0.802 369 L CB 0.122 42.133 42.059 -0.079 0.000 0.947 369 L HN 0.169 nan 8.230 nan 0.000 0.453 370 C N -1.571 117.712 119.300 -0.028 0.000 2.912 370 C HA 0.158 4.619 4.460 0.002 0.000 0.274 370 C C 0.752 175.731 174.990 -0.018 0.000 1.248 370 C CA -0.924 58.091 59.018 -0.005 0.000 1.694 370 C CB -0.360 27.363 27.740 -0.029 0.000 2.024 370 C HN 0.303 nan 8.230 nan 0.000 0.605 371 D N 2.876 123.238 120.400 -0.064 0.000 2.472 371 D HA 0.039 4.680 4.640 0.002 0.000 0.237 371 D C -1.032 175.252 176.300 -0.026 0.000 1.141 371 D CA -1.266 52.686 54.000 -0.081 0.000 0.875 371 D CB 0.620 41.257 40.800 -0.273 0.000 1.192 371 D HN 0.192 nan 8.370 nan 0.000 0.450 372 P HA -0.168 nan 4.420 nan 0.000 0.217 372 P C 0.748 178.133 177.300 0.142 0.000 1.150 372 P CA 1.415 64.589 63.100 0.123 0.000 0.832 372 P CB -0.021 31.766 31.700 0.145 0.000 0.787 373 H N -2.204 116.877 119.070 0.019 0.000 2.524 373 H HA 0.341 4.899 4.556 0.002 0.000 0.280 373 H C 1.000 176.340 175.328 0.020 0.000 1.018 373 H CA -0.243 55.815 56.048 0.015 0.000 1.165 373 H CB -0.134 29.637 29.762 0.015 0.000 1.411 373 H HN -0.020 nan 8.280 nan 0.000 0.569 374 R N -0.135 120.251 120.500 -0.190 0.000 3.006 374 R HA 0.175 4.516 4.340 0.002 0.000 0.150 374 R C 1.115 177.395 176.300 -0.034 0.000 1.285 374 R CA -0.706 55.329 56.100 -0.108 0.000 0.813 374 R CB -0.867 29.381 30.300 -0.087 0.000 1.582 374 R HN 0.099 nan 8.270 nan 0.000 0.441 375 Y N 1.524 121.827 120.300 0.005 0.000 2.421 375 Y HA -0.109 4.442 4.550 0.002 0.000 0.292 375 Y C 0.733 176.652 175.900 0.033 0.000 1.136 375 Y CA 1.083 59.204 58.100 0.035 0.000 1.255 375 Y CB -0.441 38.078 38.460 0.098 0.000 0.991 375 Y HN 0.515 nan 8.280 nan 0.000 0.552 376 N N 0.706 119.493 118.700 0.145 0.000 2.686 376 N HA -0.235 4.506 4.740 0.002 0.000 0.261 376 N C 0.397 175.987 175.510 0.134 0.000 1.001 376 N CA 0.802 53.917 53.050 0.108 0.000 0.764 376 N CB -1.281 37.251 38.487 0.076 0.000 0.898 376 N HN 0.654 nan 8.380 nan 0.000 0.544 377 I N -3.525 117.140 120.570 0.158 0.000 3.793 377 I HA 0.069 4.240 4.170 0.002 0.000 0.315 377 I C 1.514 177.735 176.117 0.174 0.000 1.275 377 I CA -0.400 60.997 61.300 0.160 0.000 1.214 377 I CB -0.093 38.010 38.000 0.171 0.000 1.018 377 I HN 0.090 nan 8.210 nan 0.000 0.439 378 L N 1.911 123.242 121.223 0.181 0.000 1.978 378 L HA -0.276 4.065 4.340 0.002 0.000 0.218 378 L C 2.639 179.728 176.870 0.365 0.000 1.075 378 L CA 2.287 57.271 54.840 0.240 0.000 0.767 378 L CB -1.098 41.070 42.059 0.181 0.000 0.890 378 L HN 0.506 nan 8.230 nan 0.000 0.434 379 E N -1.179 119.237 120.200 0.360 0.000 2.110 379 E HA -0.232 4.119 4.350 0.002 0.000 0.193 379 E C 1.740 178.387 176.600 0.078 0.000 0.988 379 E CA 1.245 57.777 56.400 0.219 0.000 0.804 379 E CB 0.059 29.813 29.700 0.091 0.000 0.745 379 E HN 0.500 nan 8.360 nan 0.000 0.458 380 D N -0.100 120.352 120.400 0.087 0.000 2.097 380 D HA -0.151 4.490 4.640 0.002 0.000 0.195 380 D C 2.042 178.363 176.300 0.035 0.000 0.989 380 D CA 1.165 55.186 54.000 0.034 0.000 0.827 380 D CB -0.222 40.607 40.800 0.049 0.000 0.966 380 D HN 0.116 nan 8.370 nan 0.000 0.456 381 V N 1.441 121.438 119.914 0.139 0.000 2.407 381 V HA -0.210 3.911 4.120 0.002 0.000 0.248 381 V C 2.523 178.729 176.094 0.186 0.000 1.055 381 V CA 1.665 64.107 62.300 0.237 0.000 1.049 381 V CB -0.797 31.247 31.823 0.367 0.000 0.662 381 V HN 0.167 nan 8.190 nan 0.000 0.455 382 A N -0.010 122.926 122.820 0.194 0.000 1.877 382 A HA -0.166 4.155 4.320 0.002 0.000 0.216 382 A C 2.395 179.971 177.584 -0.014 0.000 1.186 382 A CA 2.147 54.291 52.037 0.178 0.000 0.620 382 A CB -0.741 18.441 19.000 0.304 0.000 0.822 382 A HN 0.334 nan 8.150 nan 0.000 0.443 383 V N -0.877 118.977 119.914 -0.100 0.000 2.407 383 V HA -0.307 3.814 4.120 0.002 0.000 0.248 383 V C 2.587 178.531 176.094 -0.249 0.000 1.055 383 V CA 1.978 64.174 62.300 -0.173 0.000 1.049 383 V CB -1.038 30.685 31.823 -0.168 0.000 0.662 383 V HN 0.712 nan 8.190 nan 0.000 0.455 384 C N -0.568 118.518 119.300 -0.356 0.000 2.432 384 C HA -0.057 4.404 4.460 0.002 0.000 0.280 384 C C 2.497 177.019 174.990 -0.780 0.000 1.353 384 C CA 0.769 59.314 59.018 -0.787 0.000 1.766 384 C CB -0.960 25.994 27.740 -1.310 0.000 1.924 384 C HN 0.521 nan 8.230 nan 0.000 0.509 385 M N 0.336 119.760 119.600 -0.293 0.000 2.563 385 M HA 0.047 4.528 4.480 0.002 0.000 0.231 385 M C 0.492 176.774 176.300 -0.030 0.000 1.136 385 M CA 0.581 55.886 55.300 0.008 0.000 1.026 385 M CB -0.373 32.347 32.600 0.200 0.000 1.597 385 M HN 0.209 nan 8.290 nan 0.000 0.495 386 D N 1.889 122.215 120.400 -0.123 0.000 2.686 386 D HA -0.176 4.465 4.640 0.002 0.000 0.235 386 D C -0.859 175.413 176.300 -0.046 0.000 1.160 386 D CA 0.618 54.561 54.000 -0.096 0.000 0.645 386 D CB -0.890 39.862 40.800 -0.080 0.000 1.039 386 D HN 0.339 nan 8.370 nan 0.000 0.423 387 L N -0.256 120.947 121.223 -0.034 0.000 2.454 387 L HA 0.330 4.671 4.340 0.002 0.000 0.256 387 L C 1.125 177.954 176.870 -0.068 0.000 1.136 387 L CA -0.732 54.114 54.840 0.009 0.000 0.804 387 L CB 0.561 42.689 42.059 0.116 0.000 1.181 387 L HN -0.019 nan 8.230 nan 0.000 0.469 388 D N 0.678 121.062 120.400 -0.028 0.000 2.483 388 D HA 0.017 4.658 4.640 0.002 0.000 0.220 388 D C 0.843 177.011 176.300 -0.221 0.000 1.173 388 D CA -0.163 53.787 54.000 -0.083 0.000 0.964 388 D CB 0.694 41.493 40.800 -0.002 0.000 1.046 388 D HN 0.599 nan 8.370 nan 0.000 0.517 389 T N 0.380 114.620 114.554 -0.522 0.000 3.317 389 T HA 0.093 4.444 4.350 0.002 0.000 0.250 389 T C 1.409 175.812 174.700 -0.495 0.000 1.106 389 T CA -0.055 61.379 62.100 -1.109 0.000 0.986 389 T CB -0.058 68.012 68.868 -1.329 0.000 1.010 389 T HN 0.239 nan 8.240 nan 0.000 0.560 390 R N 0.246 120.617 120.500 -0.214 0.000 2.161 390 R HA 0.175 4.516 4.340 0.002 0.000 0.213 390 R C 1.032 177.344 176.300 0.020 0.000 1.055 390 R CA 0.643 56.693 56.100 -0.083 0.000 0.996 390 R CB 0.100 30.367 30.300 -0.056 0.000 0.901 390 R HN 0.394 nan 8.270 nan 0.000 0.456 391 T N -1.556 113.055 114.554 0.096 0.000 2.883 391 T HA 0.123 4.474 4.350 0.002 0.000 0.301 391 T C 1.059 175.938 174.700 0.298 0.000 1.158 391 T CA -0.495 61.702 62.100 0.162 0.000 1.007 391 T CB 1.859 70.787 68.868 0.101 0.000 1.186 391 T HN 0.178 nan 8.240 nan 0.000 0.499 392 T N 0.222 114.903 114.554 0.211 0.000 2.857 392 T HA -0.072 4.279 4.350 0.002 0.000 0.266 392 T C 2.127 176.879 174.700 0.087 0.000 1.048 392 T CA 1.688 63.873 62.100 0.142 0.000 1.139 392 T CB -0.839 68.067 68.868 0.063 0.000 0.874 392 T HN 0.705 nan 8.240 nan 0.000 0.455 393 S N 2.291 118.042 115.700 0.085 0.000 2.537 393 S HA -0.098 4.373 4.470 0.002 0.000 0.240 393 S C 2.118 176.763 174.600 0.076 0.000 0.981 393 S CA 0.986 59.221 58.200 0.060 0.000 0.948 393 S CB -0.965 62.264 63.200 0.050 0.000 0.759 393 S HN 0.781 nan 8.310 nan 0.000 0.531 394 S N 1.536 117.316 115.700 0.133 0.000 2.527 394 S HA 0.237 4.708 4.470 0.002 0.000 0.222 394 S C 0.958 175.637 174.600 0.131 0.000 0.985 394 S CA 0.210 58.497 58.200 0.146 0.000 0.921 394 S CB -0.945 62.379 63.200 0.207 0.000 0.772 394 S HN 0.631 nan 8.310 nan 0.000 0.529 395 L N 0.898 122.164 121.223 0.072 0.000 3.717 395 L HA -0.175 4.166 4.340 0.002 0.000 0.414 395 L C 1.638 178.495 176.870 -0.022 0.000 1.228 395 L CA 0.669 55.487 54.840 -0.037 0.000 0.918 395 L CB -2.489 39.562 42.059 -0.014 0.000 1.865 395 L HN 0.729 nan 8.230 nan 0.000 0.922 396 W N 0.046 121.358 121.300 0.020 0.000 2.363 396 W HA -0.149 4.511 4.660 0.001 0.000 0.296 396 W C 1.728 178.266 176.519 0.032 0.000 1.212 396 W CA 1.371 58.731 57.345 0.026 0.000 1.260 396 W CB -0.741 28.731 29.460 0.021 0.000 1.131 396 W HN 0.287 nan 8.180 nan 0.000 0.530 397 K N 1.044 120.936 120.400 -0.845 0.000 2.057 397 K HA -0.159 4.162 4.320 0.002 0.000 0.207 397 K C 1.525 177.963 176.600 -0.271 0.000 1.049 397 K CA 2.312 58.166 56.287 -0.722 0.000 0.931 397 K CB -0.366 31.555 32.500 -0.965 0.000 0.714 397 K HN 0.061 nan 8.250 nan 0.000 0.440 398 D N 0.720 120.986 120.400 -0.223 0.000 2.117 398 D HA -0.123 4.518 4.640 0.002 0.000 0.197 398 D C 1.688 177.969 176.300 -0.033 0.000 0.987 398 D CA 1.198 55.131 54.000 -0.111 0.000 0.829 398 D CB 0.042 40.788 40.800 -0.090 0.000 0.961 398 D HN 0.111 nan 8.370 nan 0.000 0.460 399 K N 0.430 120.836 120.400 0.010 0.000 2.057 399 K HA -0.017 4.304 4.320 0.002 0.000 0.206 399 K C 2.204 178.861 176.600 0.096 0.000 1.050 399 K CA 1.107 57.433 56.287 0.066 0.000 0.935 399 K CB -0.140 32.422 32.500 0.104 0.000 0.715 399 K HN 0.086 nan 8.250 nan 0.000 0.439 400 A N 1.536 124.432 122.820 0.127 0.000 1.902 400 A HA -0.110 4.211 4.320 0.002 0.000 0.217 400 A C 2.376 180.034 177.584 0.123 0.000 1.181 400 A CA 1.796 53.940 52.037 0.178 0.000 0.623 400 A CB -0.700 18.447 19.000 0.243 0.000 0.818 400 A HN 0.332 nan 8.150 nan 0.000 0.443 401 A N -0.458 122.391 122.820 0.049 0.000 1.883 401 A HA -0.062 4.259 4.320 0.002 0.000 0.217 401 A C 2.242 179.829 177.584 0.004 0.000 1.186 401 A CA 1.955 53.995 52.037 0.006 0.000 0.624 401 A CB -1.046 17.922 19.000 -0.055 0.000 0.822 401 A HN 0.417 nan 8.150 nan 0.000 0.444 402 V N 0.386 120.308 119.914 0.014 0.000 2.295 402 V HA -0.225 3.896 4.120 0.002 0.000 0.246 402 V C 2.556 178.666 176.094 0.027 0.000 1.049 402 V CA 2.174 64.487 62.300 0.021 0.000 1.024 402 V CB -0.743 31.101 31.823 0.036 0.000 0.648 402 V HN 0.538 nan 8.190 nan 0.000 0.447 403 E N -0.098 120.140 120.200 0.064 0.000 2.106 403 E HA -0.131 4.220 4.350 0.002 0.000 0.192 403 E C 2.131 178.719 176.600 -0.021 0.000 0.984 403 E CA 1.188 57.637 56.400 0.081 0.000 0.806 403 E CB -0.278 29.501 29.700 0.132 0.000 0.750 403 E HN 0.590 nan 8.360 nan 0.000 0.458 404 I N 1.241 121.830 120.570 0.031 0.000 2.252 404 I HA -0.266 3.905 4.170 0.002 0.000 0.245 404 I C 1.710 177.790 176.117 -0.061 0.000 1.102 404 I CA 1.009 62.327 61.300 0.031 0.000 1.385 404 I CB -0.283 37.809 38.000 0.154 0.000 1.064 404 I HN 0.035 nan 8.210 nan 0.000 0.414 405 N N 0.601 119.264 118.700 -0.062 0.000 2.244 405 N HA -0.161 4.580 4.740 0.002 0.000 0.183 405 N C 1.667 177.123 175.510 -0.090 0.000 1.016 405 N CA 0.791 53.790 53.050 -0.086 0.000 0.866 405 N CB -0.154 38.291 38.487 -0.070 0.000 0.980 405 N HN 0.154 nan 8.380 nan 0.000 0.430 406 L N 0.658 121.817 121.223 -0.107 0.000 2.056 406 L HA 0.016 4.357 4.340 0.002 0.000 0.207 406 L C 1.990 178.717 176.870 -0.239 0.000 1.078 406 L CA 1.361 56.104 54.840 -0.163 0.000 0.749 406 L CB -0.820 41.112 42.059 -0.212 0.000 0.901 406 L HN 0.149 nan 8.230 nan 0.000 0.433 407 A N -1.170 121.445 122.820 -0.342 0.000 1.902 407 A HA -0.155 4.166 4.320 0.002 0.000 0.217 407 A C 2.254 179.784 177.584 -0.091 0.000 1.181 407 A CA 2.005 53.821 52.037 -0.367 0.000 0.623 407 A CB -1.105 17.407 19.000 -0.814 0.000 0.818 407 A HN 0.300 nan 8.150 nan 0.000 0.443 408 V N 0.078 119.952 119.914 -0.066 0.000 2.255 408 V HA -0.287 3.834 4.120 0.002 0.000 0.247 408 V C 2.589 178.703 176.094 0.033 0.000 1.051 408 V CA 2.090 64.391 62.300 0.002 0.000 1.018 408 V CB -0.845 30.893 31.823 -0.141 0.000 0.641 408 V HN 0.574 nan 8.190 nan 0.000 0.445 409 L N -0.524 120.680 121.223 -0.032 0.000 1.989 409 L HA -0.244 4.097 4.340 0.002 0.000 0.211 409 L C 2.654 179.556 176.870 0.053 0.000 1.071 409 L CA 2.284 57.122 54.840 -0.002 0.000 0.749 409 L CB -0.870 41.179 42.059 -0.016 0.000 0.890 409 L HN 0.488 nan 8.230 nan 0.000 0.431 410 H N -0.282 118.749 119.070 -0.065 0.000 2.319 410 H HA -0.158 4.399 4.556 0.002 0.000 0.299 410 H C 2.308 177.630 175.328 -0.011 0.000 1.092 410 H CA 2.046 58.049 56.048 -0.075 0.000 1.302 410 H CB -0.041 29.613 29.762 -0.180 0.000 1.373 410 H HN 0.177 nan 8.280 nan 0.000 0.497 411 S N -0.479 115.146 115.700 -0.125 0.000 2.355 411 S HA -0.106 4.365 4.470 0.002 0.000 0.222 411 S C 2.052 176.624 174.600 -0.047 0.000 1.031 411 S CA 1.225 59.347 58.200 -0.130 0.000 0.993 411 S CB -0.562 62.668 63.200 0.050 0.000 0.859 411 S HN 0.395 nan 8.310 nan 0.000 0.453 412 F N 1.847 121.741 119.950 -0.094 0.000 2.134 412 F HA -0.149 4.379 4.527 0.002 0.000 0.299 412 F C 2.815 178.568 175.800 -0.079 0.000 1.097 412 F CA 1.157 59.128 58.000 -0.049 0.000 1.264 412 F CB -0.266 38.731 39.000 -0.005 0.000 1.001 412 F HN 0.200 nan 8.300 nan 0.000 0.479 413 Q N -0.389 119.456 119.800 0.075 0.000 2.119 413 Q HA -0.210 4.131 4.340 0.002 0.000 0.201 413 Q C 2.121 178.070 176.000 -0.085 0.000 0.972 413 Q CA 1.245 57.042 55.803 -0.010 0.000 0.847 413 Q CB -0.257 28.471 28.738 -0.017 0.000 0.903 413 Q HN 0.362 nan 8.270 nan 0.000 0.433 414 L N -0.010 121.102 121.223 -0.184 0.000 2.072 414 L HA -0.014 4.327 4.340 0.002 0.000 0.205 414 L C 1.813 178.602 176.870 -0.134 0.000 1.079 414 L CA 1.789 56.508 54.840 -0.202 0.000 0.752 414 L CB -0.452 41.398 42.059 -0.348 0.000 0.906 414 L HN 0.082 nan 8.230 nan 0.000 0.436 415 A N -1.209 121.526 122.820 -0.142 0.000 2.259 415 A HA 0.016 4.337 4.320 0.002 0.000 0.208 415 A C 0.955 178.479 177.584 -0.101 0.000 1.201 415 A CA 0.094 52.052 52.037 -0.133 0.000 0.824 415 A CB -0.634 18.247 19.000 -0.198 0.000 0.838 415 A HN 0.460 nan 8.150 nan 0.000 0.485 416 K N -0.907 119.449 120.400 -0.073 0.000 3.148 416 K HA -0.134 4.187 4.320 0.002 0.000 0.267 416 K C -0.856 175.723 176.600 -0.035 0.000 0.996 416 K CA 0.710 56.969 56.287 -0.048 0.000 0.737 416 K CB -1.887 30.584 32.500 -0.047 0.000 1.308 416 K HN 0.270 nan 8.250 nan 0.000 0.470 417 V N 1.015 120.924 119.914 -0.008 0.000 2.495 417 V HA 0.153 4.274 4.120 0.002 0.000 0.298 417 V C 0.701 176.895 176.094 0.167 0.000 1.031 417 V CA -0.753 61.577 62.300 0.050 0.000 0.871 417 V CB 2.035 33.828 31.823 -0.050 0.000 0.988 417 V HN 0.256 nan 8.190 nan 0.000 0.432 418 T N 6.212 120.825 114.554 0.098 0.000 2.908 418 T HA 0.402 4.753 4.350 0.002 0.000 0.301 418 T C -0.259 174.514 174.700 0.122 0.000 1.019 418 T CA 0.934 63.021 62.100 -0.021 0.000 1.152 418 T CB -0.002 68.733 68.868 -0.221 0.000 0.966 418 T HN 0.565 nan 8.240 nan 0.000 0.540 419 I N 2.424 122.996 120.570 0.003 0.000 2.947 419 I HA 0.612 4.783 4.170 0.002 0.000 0.301 419 I C -1.655 174.483 176.117 0.034 0.000 1.453 419 I CA -0.923 60.415 61.300 0.065 0.000 0.984 419 I CB 1.935 39.906 38.000 -0.049 0.000 1.333 419 I HN 0.444 nan 8.210 nan 0.000 0.475 420 V N 4.969 124.963 119.914 0.133 0.000 2.638 420 V HA 0.503 4.624 4.120 0.002 0.000 0.306 420 V C -1.231 174.917 176.094 0.090 0.000 1.052 420 V CA -0.277 62.105 62.300 0.135 0.000 0.885 420 V CB 2.144 34.141 31.823 0.290 0.000 0.999 420 V HN 0.871 nan 8.190 nan 0.000 0.424 421 D N 4.092 124.523 120.400 0.052 0.000 2.358 421 D HA 0.186 4.827 4.640 0.002 0.000 0.244 421 D C 1.284 177.587 176.300 0.005 0.000 1.163 421 D CA 0.165 54.183 54.000 0.031 0.000 0.945 421 D CB 0.476 41.267 40.800 -0.015 0.000 1.152 421 D HN 0.733 nan 8.370 nan 0.000 0.451 422 H N -0.089 118.902 119.070 -0.130 0.000 2.489 422 H HA -0.141 4.416 4.556 0.002 0.000 0.293 422 H C 0.896 176.105 175.328 -0.198 0.000 1.066 422 H CA 1.320 57.254 56.048 -0.191 0.000 1.305 422 H CB -0.536 29.058 29.762 -0.281 0.000 1.386 422 H HN 0.521 nan 8.280 nan 0.000 0.551 423 H N 1.073 119.952 119.070 -0.318 0.000 2.317 423 H HA 0.185 4.742 4.556 0.002 0.000 0.304 423 H C 2.542 177.844 175.328 -0.042 0.000 1.067 423 H CA 1.247 57.191 56.048 -0.173 0.000 1.352 423 H CB -0.328 29.301 29.762 -0.222 0.000 1.398 423 H HN 0.490 nan 8.280 nan 0.000 0.510 424 A N 1.511 124.382 122.820 0.085 0.000 1.908 424 A HA -0.126 4.195 4.320 0.002 0.000 0.218 424 A C 2.688 180.341 177.584 0.115 0.000 1.181 424 A CA 1.924 54.015 52.037 0.091 0.000 0.627 424 A CB -0.862 18.183 19.000 0.076 0.000 0.818 424 A HN 0.435 nan 8.150 nan 0.000 0.445 425 A N -0.257 122.629 122.820 0.111 0.000 1.877 425 A HA -0.118 4.204 4.320 0.002 0.000 0.216 425 A C 2.467 180.145 177.584 0.156 0.000 1.186 425 A CA 2.663 54.785 52.037 0.142 0.000 0.620 425 A CB -1.470 17.603 19.000 0.121 0.000 0.822 425 A HN 0.786 nan 8.150 nan 0.000 0.443 426 T N -2.582 112.045 114.554 0.123 0.000 2.821 426 T HA -0.086 4.265 4.350 0.002 0.000 0.267 426 T C 1.682 176.508 174.700 0.211 0.000 1.046 426 T CA 1.410 63.605 62.100 0.159 0.000 1.139 426 T CB -0.755 68.174 68.868 0.102 0.000 0.871 426 T HN 0.057 nan 8.240 nan 0.000 0.454 427 V N 2.776 122.790 119.914 0.165 0.000 2.407 427 V HA -0.165 3.956 4.120 0.002 0.000 0.248 427 V C 3.207 179.392 176.094 0.151 0.000 1.055 427 V CA 2.059 64.447 62.300 0.147 0.000 1.049 427 V CB -0.925 30.966 31.823 0.113 0.000 0.662 427 V HN 0.808 nan 8.190 nan 0.000 0.455 428 S N -0.394 115.407 115.700 0.167 0.000 2.406 428 S HA -0.182 4.289 4.470 0.002 0.000 0.228 428 S C 1.951 176.670 174.600 0.199 0.000 1.020 428 S CA 1.291 59.589 58.200 0.163 0.000 0.965 428 S CB -0.664 62.639 63.200 0.170 0.000 0.798 428 S HN 0.505 nan 8.310 nan 0.000 0.488 429 F N 2.147 122.159 119.950 0.104 0.000 2.186 429 F HA 0.125 4.653 4.527 0.002 0.000 0.299 429 F C 2.245 178.133 175.800 0.147 0.000 1.090 429 F CA 1.119 59.193 58.000 0.124 0.000 1.307 429 F CB -0.309 38.743 39.000 0.087 0.000 1.019 429 F HN 0.101 nan 8.300 nan 0.000 0.489 430 M N 0.303 119.982 119.600 0.132 0.000 2.117 430 M HA -0.205 4.276 4.480 0.002 0.000 0.262 430 M C 2.065 178.345 176.300 -0.033 0.000 1.065 430 M CA 1.589 56.915 55.300 0.044 0.000 1.114 430 M CB -1.207 31.463 32.600 0.117 0.000 1.361 430 M HN 0.125 nan 8.290 nan 0.000 0.408 431 K N -1.146 119.263 120.400 0.015 0.000 2.057 431 K HA -0.218 4.103 4.320 0.002 0.000 0.207 431 K C 2.020 178.600 176.600 -0.032 0.000 1.049 431 K CA 1.596 57.887 56.287 0.008 0.000 0.931 431 K CB -0.439 32.089 32.500 0.048 0.000 0.714 431 K HN 0.318 nan 8.250 nan 0.000 0.440 432 H N 1.182 120.159 119.070 -0.155 0.000 2.352 432 H HA -0.065 4.492 4.556 0.002 0.000 0.299 432 H C 1.791 176.952 175.328 -0.278 0.000 1.097 432 H CA 1.590 57.516 56.048 -0.203 0.000 1.311 432 H CB -0.219 29.375 29.762 -0.281 0.000 1.377 432 H HN 0.047 nan 8.280 nan 0.000 0.504 433 L N -0.302 120.634 121.223 -0.478 0.000 2.042 433 L HA -0.189 4.152 4.340 0.002 0.000 0.210 433 L C 2.315 179.033 176.870 -0.253 0.000 1.076 433 L CA 1.904 56.495 54.840 -0.414 0.000 0.749 433 L CB -0.497 41.384 42.059 -0.295 0.000 0.893 433 L HN 0.391 nan 8.230 nan 0.000 0.432 434 D N -0.164 120.134 120.400 -0.170 0.000 2.097 434 D HA -0.177 4.464 4.640 0.002 0.000 0.197 434 D C 1.956 178.190 176.300 -0.110 0.000 0.984 434 D CA 1.098 55.036 54.000 -0.103 0.000 0.826 434 D CB 0.111 40.877 40.800 -0.057 0.000 0.973 434 D HN 0.166 nan 8.370 nan 0.000 0.460 435 N N 0.505 119.127 118.700 -0.130 0.000 2.120 435 N HA -0.133 4.608 4.740 0.002 0.000 0.188 435 N C 1.577 177.008 175.510 -0.131 0.000 1.024 435 N CA 0.816 53.808 53.050 -0.096 0.000 0.852 435 N CB -0.241 38.216 38.487 -0.051 0.000 1.003 435 N HN 0.333 nan 8.380 nan 0.000 0.424 436 E N 0.644 120.682 120.200 -0.270 0.000 2.152 436 E HA -0.136 4.215 4.350 0.002 0.000 0.192 436 E C 1.866 178.384 176.600 -0.138 0.000 0.983 436 E CA 0.498 56.745 56.400 -0.255 0.000 0.818 436 E CB -0.108 29.329 29.700 -0.439 0.000 0.758 436 E HN 0.324 nan 8.360 nan 0.000 0.467 437 Q N 1.435 121.164 119.800 -0.120 0.000 2.124 437 Q HA -0.118 4.224 4.340 0.002 0.000 0.202 437 Q C 1.686 177.662 176.000 -0.041 0.000 0.977 437 Q CA 1.625 57.392 55.803 -0.060 0.000 0.850 437 Q CB 0.086 28.794 28.738 -0.049 0.000 0.901 437 Q HN 0.135 nan 8.270 nan 0.000 0.429 438 K N -1.003 119.370 120.400 -0.045 0.000 2.098 438 K HA 0.108 4.430 4.320 0.002 0.000 0.203 438 K C 2.035 178.623 176.600 -0.021 0.000 1.051 438 K CA 0.840 57.111 56.287 -0.028 0.000 0.957 438 K CB -0.112 32.374 32.500 -0.024 0.000 0.738 438 K HN 0.200 nan 8.250 nan 0.000 0.447 439 A N 1.547 124.354 122.820 -0.022 0.000 1.872 439 A HA -0.076 4.245 4.320 0.002 0.000 0.214 439 A C 1.815 179.394 177.584 -0.007 0.000 1.187 439 A CA 1.220 53.255 52.037 -0.002 0.000 0.614 439 A CB -0.079 18.933 19.000 0.020 0.000 0.826 439 A HN 0.156 nan 8.150 nan 0.000 0.442 440 R N -2.369 118.117 120.500 -0.023 0.000 2.509 440 R HA 0.275 4.617 4.340 0.002 0.000 0.297 440 R C 0.851 177.153 176.300 0.002 0.000 0.951 440 R CA 0.494 56.588 56.100 -0.011 0.000 1.103 440 R CB 0.629 30.916 30.300 -0.021 0.000 1.283 440 R HN 0.691 nan 8.270 nan 0.000 0.534 441 G N 0.903 109.699 108.800 -0.006 0.000 2.147 441 G HA2 -0.205 3.756 3.960 0.002 0.000 0.244 441 G HA3 -0.205 3.756 3.960 0.002 0.000 0.244 441 G C 0.216 175.141 174.900 0.042 0.000 1.005 441 G CA 0.096 45.201 45.100 0.008 0.000 0.713 441 G HN 0.720 nan 8.290 nan 0.000 0.515 442 G N -2.479 106.343 108.800 0.036 0.000 2.336 442 G HA2 0.545 4.506 3.960 0.002 0.000 0.300 442 G HA3 0.545 4.506 3.960 0.002 0.000 0.300 442 G C -0.876 174.060 174.900 0.060 0.000 1.375 442 G CA 0.345 45.497 45.100 0.087 0.000 0.885 442 G HN 1.907 nan 8.290 nan 0.000 0.599 443 C N 2.138 121.491 119.300 0.089 0.000 2.833 443 C HA 0.694 5.155 4.460 0.002 0.000 0.383 443 C C -2.523 172.442 174.990 -0.042 0.000 1.058 443 C CA -1.210 57.805 59.018 -0.005 0.000 1.259 443 C CB 1.197 28.876 27.740 -0.101 0.000 1.726 443 C HN 0.710 nan 8.230 nan 0.000 0.484 444 P HA 0.368 nan 4.420 nan 0.000 0.266 444 P C -0.576 176.610 177.300 -0.189 0.000 1.215 444 P CA 0.692 63.404 63.100 -0.647 0.000 0.763 444 P CB 0.933 32.026 31.700 -1.011 0.000 0.806 445 A N 2.877 125.655 122.820 -0.069 0.000 2.486 445 A HA 0.443 4.764 4.320 0.002 0.000 0.300 445 A C -1.037 176.595 177.584 0.080 0.000 1.048 445 A CA -0.552 51.538 52.037 0.088 0.000 0.696 445 A CB 1.375 20.542 19.000 0.278 0.000 1.278 445 A HN 0.433 nan 8.150 nan 0.000 0.405 446 D N 1.860 122.302 120.400 0.070 0.000 2.473 446 D HA 0.160 4.801 4.640 0.002 0.000 0.226 446 D C 0.816 177.250 176.300 0.224 0.000 1.089 446 D CA -0.535 53.540 54.000 0.126 0.000 0.883 446 D CB 0.341 41.159 40.800 0.031 0.000 1.029 446 D HN 0.585 nan 8.370 nan 0.000 0.517 447 W N 4.244 125.584 121.300 0.066 0.000 2.290 447 W HA -0.350 4.311 4.660 0.002 0.000 0.323 447 W C 1.951 178.504 176.519 0.058 0.000 1.260 447 W CA 2.681 60.051 57.345 0.041 0.000 1.266 447 W CB -0.045 29.415 29.460 0.001 0.000 1.149 447 W HN 0.555 nan 8.180 nan 0.000 0.482 448 A N -1.502 121.597 122.820 0.465 0.000 2.024 448 A HA -0.198 4.123 4.320 0.002 0.000 0.220 448 A C 1.443 179.070 177.584 0.073 0.000 1.164 448 A CA 1.623 53.838 52.037 0.297 0.000 0.643 448 A CB -1.247 17.956 19.000 0.339 0.000 0.806 448 A HN 0.546 nan 8.150 nan 0.000 0.451 449 W N -1.098 120.175 121.300 -0.044 0.000 2.872 449 W HA 0.232 4.893 4.660 0.002 0.000 0.266 449 W C 1.746 178.154 176.519 -0.184 0.000 1.276 449 W CA -0.187 57.108 57.345 -0.084 0.000 1.471 449 W CB 0.054 29.493 29.460 -0.036 0.000 1.071 449 W HN 0.138 nan 8.180 nan 0.000 0.619 450 I N -0.344 120.183 120.570 -0.072 0.000 2.480 450 I HA -0.032 4.139 4.170 0.002 0.000 0.251 450 I C 0.656 176.572 176.117 -0.336 0.000 1.124 450 I CA 0.713 61.838 61.300 -0.291 0.000 1.444 450 I CB -1.330 36.421 38.000 -0.416 0.000 1.098 450 I HN -0.421 nan 8.210 nan 0.000 0.428 451 V N 3.957 123.593 119.914 -0.462 0.000 2.521 451 V HA 0.101 4.222 4.120 0.002 0.000 0.286 451 V C -1.926 173.987 176.094 -0.302 0.000 1.034 451 V CA -1.080 60.934 62.300 -0.476 0.000 1.045 451 V CB 0.230 31.531 31.823 -0.871 0.000 0.974 451 V HN 0.118 nan 8.190 nan 0.000 0.480 452 P HA 0.117 nan 4.420 nan 0.000 0.268 452 P C -1.774 175.391 177.300 -0.225 0.000 1.208 452 P CA -1.081 61.893 63.100 -0.210 0.000 0.777 452 P CB 0.047 31.633 31.700 -0.190 0.000 0.875 453 P HA -0.023 nan 4.420 nan 0.000 0.230 453 P C 0.174 177.354 177.300 -0.199 0.000 1.158 453 P CA 1.206 64.179 63.100 -0.212 0.000 0.769 453 P CB 0.027 31.596 31.700 -0.218 0.000 0.807 454 I N -6.528 113.888 120.570 -0.256 0.000 2.828 454 I HA 0.460 4.631 4.170 0.002 0.000 0.302 454 I C -0.063 175.942 176.117 -0.186 0.000 1.101 454 I CA -1.268 59.900 61.300 -0.220 0.000 1.031 454 I CB 1.963 39.809 38.000 -0.258 0.000 1.231 454 I HN -0.394 nan 8.210 nan 0.000 0.427 455 S N 2.056 117.697 115.700 -0.099 0.000 3.581 455 S HA -0.197 4.274 4.470 0.002 0.000 0.354 455 S C 1.365 175.927 174.600 -0.063 0.000 1.059 455 S CA 0.758 58.938 58.200 -0.033 0.000 1.060 455 S CB -1.794 61.466 63.200 0.102 0.000 0.908 455 S HN 1.277 nan 8.310 nan 0.000 0.475 456 G N 2.443 111.173 108.800 -0.116 0.000 2.631 456 G HA2 -0.337 3.624 3.960 0.002 0.000 0.219 456 G HA3 -0.337 3.624 3.960 0.002 0.000 0.219 456 G C 1.478 176.211 174.900 -0.278 0.000 1.214 456 G CA 1.604 46.634 45.100 -0.117 0.000 0.785 456 G HN 1.315 nan 8.290 nan 0.000 0.596 457 S N 0.386 115.634 115.700 -0.754 0.000 2.555 457 S HA 0.148 4.619 4.470 0.002 0.000 0.230 457 S C 2.094 176.589 174.600 -0.176 0.000 0.978 457 S CA 0.688 58.293 58.200 -0.992 0.000 0.934 457 S CB -0.212 62.278 63.200 -1.184 0.000 0.766 457 S HN 0.328 nan 8.310 nan 0.000 0.533 458 L N 2.026 123.212 121.223 -0.062 0.000 2.552 458 L HA 0.130 4.471 4.340 0.002 0.000 0.227 458 L C 1.207 178.189 176.870 0.186 0.000 1.146 458 L CA 0.505 55.402 54.840 0.096 0.000 0.858 458 L CB -1.004 41.140 42.059 0.141 0.000 0.969 458 L HN 0.490 nan 8.230 nan 0.000 0.451 459 T N -4.531 110.117 114.554 0.156 0.000 2.918 459 T HA 0.331 4.682 4.350 0.002 0.000 0.286 459 T C -1.691 173.160 174.700 0.253 0.000 1.026 459 T CA -2.039 60.178 62.100 0.194 0.000 1.031 459 T CB 2.096 71.030 68.868 0.111 0.000 1.046 459 T HN -0.219 nan 8.240 nan 0.000 0.479 460 P HA -0.125 nan 4.420 nan 0.000 0.216 460 P C 1.837 179.327 177.300 0.317 0.000 1.150 460 P CA 1.326 64.613 63.100 0.313 0.000 0.837 460 P CB -0.367 31.469 31.700 0.226 0.000 0.786 461 V N -3.563 116.487 119.914 0.226 0.000 2.594 461 V HA -0.204 3.917 4.120 0.002 0.000 0.253 461 V C 2.415 178.592 176.094 0.139 0.000 1.069 461 V CA 1.311 63.721 62.300 0.182 0.000 1.082 461 V CB -2.279 29.589 31.823 0.074 0.000 0.680 461 V HN -0.109 nan 8.190 nan 0.000 0.469 462 F N 1.791 121.697 119.950 -0.074 0.000 2.161 462 F HA -0.172 4.356 4.527 0.001 0.000 0.300 462 F C 2.444 178.347 175.800 0.173 0.000 1.089 462 F CA 2.231 60.182 58.000 -0.082 0.000 1.282 462 F CB -0.251 38.568 39.000 -0.302 0.000 1.010 462 F HN 0.276 nan 8.300 nan 0.000 0.485 463 H N -0.866 118.536 119.070 0.553 0.000 2.533 463 H HA 0.112 4.669 4.556 0.002 0.000 0.271 463 H C 0.204 175.780 175.328 0.413 0.000 1.000 463 H CA 0.218 56.547 56.048 0.468 0.000 1.149 463 H CB -0.235 29.785 29.762 0.429 0.000 1.375 463 H HN 0.266 nan 8.280 nan 0.000 0.582 464 Q N 1.885 121.956 119.800 0.453 0.000 2.325 464 Q HA 0.172 4.513 4.340 0.002 0.000 0.262 464 Q C -0.570 175.658 176.000 0.381 0.000 0.968 464 Q CA -0.446 55.580 55.803 0.371 0.000 0.877 464 Q CB 0.894 29.818 28.738 0.311 0.000 1.253 464 Q HN 0.226 nan 8.270 nan 0.000 0.448 465 E N 3.382 123.759 120.200 0.295 0.000 2.383 465 E HA 0.301 4.652 4.350 0.002 0.000 0.264 465 E C -0.478 176.253 176.600 0.218 0.000 1.050 465 E CA 0.212 56.741 56.400 0.215 0.000 0.896 465 E CB 0.860 30.667 29.700 0.179 0.000 0.982 465 E HN 0.603 nan 8.360 nan 0.000 0.424 466 M N 1.206 120.929 119.600 0.206 0.000 2.550 466 M HA 0.396 4.877 4.480 0.002 0.000 0.292 466 M C -1.218 175.183 176.300 0.168 0.000 1.221 466 M CA -1.029 54.399 55.300 0.214 0.000 0.873 466 M CB 2.386 35.162 32.600 0.294 0.000 1.727 466 M HN 0.148 nan 8.290 nan 0.000 0.459 467 V N 1.697 121.719 119.914 0.180 0.000 2.459 467 V HA 0.475 4.596 4.120 0.002 0.000 0.295 467 V C -0.775 175.419 176.094 0.166 0.000 1.029 467 V CA -0.718 61.713 62.300 0.218 0.000 0.874 467 V CB 1.691 33.707 31.823 0.322 0.000 0.985 467 V HN 0.811 nan 8.190 nan 0.000 0.438 468 N N 3.891 122.684 118.700 0.154 0.000 2.392 468 N HA 0.654 5.395 4.740 0.002 0.000 0.283 468 N C -1.191 174.388 175.510 0.115 0.000 1.003 468 N CA -0.418 52.642 53.050 0.017 0.000 0.892 468 N CB 1.213 39.724 38.487 0.040 0.000 1.193 468 N HN 0.669 nan 8.380 nan 0.000 0.487 469 Y N 0.500 120.815 120.300 0.026 0.000 2.689 469 Y HA 0.579 5.130 4.550 0.002 0.000 0.333 469 Y C -1.105 174.795 175.900 -0.000 0.000 1.208 469 Y CA -1.273 56.834 58.100 0.012 0.000 1.055 469 Y CB 0.831 39.300 38.460 0.015 0.000 1.304 469 Y HN 0.190 nan 8.280 nan 0.000 0.455 470 I N 3.370 124.049 120.570 0.182 0.000 2.312 470 I HA 0.404 4.575 4.170 0.002 0.000 0.290 470 I C -0.716 175.477 176.117 0.125 0.000 1.008 470 I CA -0.421 60.928 61.300 0.082 0.000 1.226 470 I CB 0.969 38.994 38.000 0.043 0.000 1.371 470 I HN 0.416 nan 8.210 nan 0.000 0.468 471 L N 4.911 126.177 121.223 0.072 0.000 2.333 471 L HA 0.588 4.929 4.340 0.002 0.000 0.269 471 L C -0.036 176.841 176.870 0.012 0.000 1.010 471 L CA -0.554 54.330 54.840 0.074 0.000 0.818 471 L CB 2.095 44.201 42.059 0.078 0.000 1.306 471 L HN 0.511 nan 8.230 nan 0.000 0.430 472 S N 1.199 116.912 115.700 0.022 0.000 2.536 472 S HA 0.633 5.104 4.470 0.002 0.000 0.298 472 S C -2.592 172.026 174.600 0.031 0.000 1.083 472 S CA -1.421 56.777 58.200 -0.004 0.000 0.995 472 S CB 1.910 65.116 63.200 0.011 0.000 1.058 472 S HN 0.240 nan 8.310 nan 0.000 0.488 473 P HA 0.343 nan 4.420 nan 0.000 0.267 473 P C -1.329 175.865 177.300 -0.178 0.000 1.195 473 P CA 0.113 63.134 63.100 -0.132 0.000 0.773 473 P CB 0.429 32.019 31.700 -0.183 0.000 0.837 474 A N 1.689 124.359 122.820 -0.250 0.000 2.604 474 A HA 0.661 4.982 4.320 0.002 0.000 0.295 474 A C -1.579 175.798 177.584 -0.346 0.000 1.067 474 A CA -0.503 51.391 52.037 -0.238 0.000 0.683 474 A CB 0.786 19.712 19.000 -0.122 0.000 1.281 474 A HN 0.330 nan 8.150 nan 0.000 0.407 475 F N 1.061 120.919 119.950 -0.154 0.000 2.408 475 F HA 0.684 5.212 4.527 0.002 0.000 0.344 475 F C 0.990 176.659 175.800 -0.219 0.000 1.112 475 F CA 0.244 58.142 58.000 -0.169 0.000 1.096 475 F CB 1.729 40.589 39.000 -0.234 0.000 1.129 475 F HN 0.563 nan 8.300 nan 0.000 0.486 476 R N 1.711 122.199 120.500 -0.021 0.000 2.808 476 R HA 0.450 4.791 4.340 0.002 0.000 0.272 476 R C -1.573 174.651 176.300 -0.127 0.000 0.995 476 R CA -1.214 54.799 56.100 -0.145 0.000 0.917 476 R CB 1.778 32.041 30.300 -0.063 0.000 1.217 476 R HN 0.409 nan 8.270 nan 0.000 0.471 477 Y N 1.291 121.608 120.300 0.027 0.000 2.314 477 Y HA 0.169 4.720 4.550 0.002 0.000 0.334 477 Y C 0.617 176.513 175.900 -0.005 0.000 1.266 477 Y CA -0.057 58.051 58.100 0.014 0.000 1.391 477 Y CB 0.833 39.289 38.460 -0.006 0.000 1.306 477 Y HN 0.439 nan 8.280 nan 0.000 0.558 478 Q N 1.000 120.893 119.800 0.155 0.000 2.456 478 Q HA 0.625 4.966 4.340 0.002 0.000 0.284 478 Q C -3.152 172.823 176.000 -0.042 0.000 1.061 478 Q CA -2.518 53.308 55.803 0.039 0.000 0.799 478 Q CB 2.078 30.829 28.738 0.022 0.000 1.445 478 Q HN 0.263 nan 8.270 nan 0.000 0.411 479 P HA 0.050 nan 4.420 nan 0.000 0.267 479 P C -0.966 176.135 177.300 -0.332 0.000 1.200 479 P CA 0.064 63.046 63.100 -0.196 0.000 0.772 479 P CB 0.372 31.969 31.700 -0.173 0.000 0.855 480 D N 3.505 123.585 120.400 -0.533 0.000 2.424 480 D HA 0.006 4.647 4.640 0.002 0.000 0.244 480 D C -1.001 174.729 176.300 -0.950 0.000 1.134 480 D CA -1.134 52.278 54.000 -0.979 0.000 0.881 480 D CB 0.302 40.146 40.800 -1.594 0.000 1.191 480 D HN 0.297 nan 8.370 nan 0.000 0.445 481 P HA -0.069 nan 4.420 nan 0.000 0.231 481 P C -0.035 176.950 177.300 -0.526 0.000 1.158 481 P CA 0.736 63.463 63.100 -0.622 0.000 0.763 481 P CB 0.049 31.375 31.700 -0.623 0.000 0.805 482 W N 0.000 120.938 121.300 -0.603 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.129 57.345 -0.360 0.000 1.226 482 W CB 0.000 29.199 29.460 -0.436 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535