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 1zzs_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX 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 YMSTEIGTRD DATA SEQUENCE LCDPHRYNIL EDVAVXMDLD 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 0.000 176.425 176.600 -0.291 0.000 0.988 69 K CA 0.000 56.096 56.287 -0.319 0.000 0.838 69 K CB 0.000 32.187 32.500 -0.522 0.000 1.064 70 F N 5.179 125.148 119.950 0.032 0.000 2.467 70 F HA 0.261 4.789 4.527 0.002 0.000 0.362 70 F C -1.844 174.046 175.800 0.150 0.000 1.090 70 F CA -1.732 56.310 58.000 0.071 0.000 1.202 70 F CB 0.239 39.290 39.000 0.085 0.000 1.113 70 F HN 0.055 nan 8.300 nan 0.000 0.541 71 P HA 0.042 nan 4.420 nan 0.000 0.271 71 P C -0.697 176.672 177.300 0.115 0.000 1.216 71 P CA -0.449 62.753 63.100 0.171 0.000 0.771 71 P CB 0.915 32.681 31.700 0.109 0.000 0.864 72 R N 2.622 123.123 120.500 0.001 0.000 2.298 72 R HA 0.365 4.706 4.340 0.002 0.000 0.310 72 R C -1.056 175.098 176.300 -0.243 0.000 1.068 72 R CA -0.428 55.432 56.100 -0.400 0.000 0.957 72 R CB 0.410 30.579 30.300 -0.218 0.000 1.003 72 R HN 0.277 nan 8.270 nan 0.000 0.454 73 V N 5.385 125.112 119.914 -0.311 0.000 2.407 73 V HA 0.331 4.452 4.120 0.002 0.000 0.291 73 V C -0.263 175.739 176.094 -0.154 0.000 1.018 73 V CA -0.751 61.468 62.300 -0.134 0.000 0.842 73 V CB 1.408 33.194 31.823 -0.062 0.000 0.996 73 V HN 0.729 nan 8.190 nan 0.000 0.426 74 K N 3.823 124.160 120.400 -0.105 0.000 2.203 74 K HA 0.447 4.768 4.320 0.002 0.000 0.251 74 K C -0.537 175.988 176.600 -0.125 0.000 0.944 74 K CA -0.705 55.452 56.287 -0.216 0.000 0.829 74 K CB 1.497 33.721 32.500 -0.461 0.000 1.125 74 K HN 0.700 nan 8.250 nan 0.000 0.430 75 N N 4.027 122.637 118.700 -0.150 0.000 2.469 75 N HA 0.096 4.837 4.740 0.002 0.000 0.253 75 N C -0.282 175.195 175.510 -0.054 0.000 0.970 75 N CA -0.362 52.703 53.050 0.025 0.000 0.940 75 N CB 0.481 39.001 38.487 0.056 0.000 1.128 75 N HN 0.679 nan 8.380 nan 0.000 0.503 76 W N 2.093 123.470 121.300 0.129 0.000 2.699 76 W HA 0.064 4.726 4.660 0.002 0.000 0.249 76 W C 2.080 178.649 176.519 0.084 0.000 1.280 76 W CA 0.046 57.461 57.345 0.116 0.000 1.345 76 W CB 0.256 29.808 29.460 0.154 0.000 1.128 76 W HN 0.667 nan 8.180 nan 0.000 0.642 77 E N 0.358 120.700 120.200 0.237 0.000 2.122 77 E HA -0.101 4.251 4.350 0.002 0.000 0.190 77 E C 1.726 178.350 176.600 0.039 0.000 0.977 77 E CA 0.958 57.393 56.400 0.058 0.000 0.820 77 E CB -0.185 29.501 29.700 -0.024 0.000 0.770 77 E HN 0.265 nan 8.360 nan 0.000 0.462 78 L N -0.950 120.296 121.223 0.038 0.000 2.556 78 L HA 0.331 4.672 4.340 0.002 0.000 0.226 78 L C 1.581 178.430 176.870 -0.034 0.000 1.089 78 L CA 0.430 55.272 54.840 0.004 0.000 0.864 78 L CB 0.489 42.554 42.059 0.010 0.000 1.067 78 L HN 0.420 nan 8.230 nan 0.000 0.477 79 G N 0.665 109.418 108.800 -0.079 0.000 2.179 79 G HA2 -0.306 3.655 3.960 0.002 0.000 0.260 79 G HA3 -0.306 3.655 3.960 0.002 0.000 0.260 79 G C 0.403 175.206 174.900 -0.160 0.000 0.977 79 G CA 0.441 45.448 45.100 -0.155 0.000 0.641 79 G HN 0.461 nan 8.290 nan 0.000 0.533 80 S N -0.473 115.157 115.700 -0.117 0.000 2.592 80 S HA 0.775 5.246 4.470 0.002 0.000 0.271 80 S C 0.087 174.604 174.600 -0.138 0.000 1.326 80 S CA -0.435 57.705 58.200 -0.099 0.000 1.024 80 S CB 2.212 65.379 63.200 -0.056 0.000 0.921 80 S HN 0.596 nan 8.310 nan 0.000 0.527 81 I N 1.388 121.885 120.570 -0.122 0.000 2.730 81 I HA 0.542 4.713 4.170 0.002 0.000 0.298 81 I C -0.088 175.943 176.117 -0.144 0.000 1.089 81 I CA -0.486 60.713 61.300 -0.169 0.000 1.041 81 I CB 2.721 40.610 38.000 -0.185 0.000 1.235 81 I HN 1.001 nan 8.210 nan 0.000 0.423 82 T N 0.609 115.030 114.554 -0.221 0.000 2.865 82 T HA 0.618 4.970 4.350 0.002 0.000 0.294 82 T C -1.345 173.138 174.700 -0.361 0.000 1.119 82 T CA -0.807 61.201 62.100 -0.154 0.000 1.007 82 T CB 1.673 70.498 68.868 -0.072 0.000 1.225 82 T HN 0.279 nan 8.240 nan 0.000 0.515 83 Y N 0.219 120.505 120.300 -0.023 0.000 2.350 83 Y HA 0.453 5.004 4.550 0.002 0.000 0.338 83 Y C -0.079 175.802 175.900 -0.032 0.000 0.961 83 Y CA -0.891 57.203 58.100 -0.009 0.000 1.100 83 Y CB 1.769 40.214 38.460 -0.026 0.000 1.179 83 Y HN 0.725 nan 8.280 nan 0.000 0.454 84 D N 2.171 122.641 120.400 0.117 0.000 2.339 84 D HA 0.068 4.709 4.640 0.002 0.000 0.241 84 D C 0.727 177.066 176.300 0.064 0.000 1.183 84 D CA 0.190 54.239 54.000 0.082 0.000 0.859 84 D CB 1.243 42.116 40.800 0.121 0.000 1.067 84 D HN 0.800 nan 8.370 nan 0.000 0.484 85 T N 1.095 115.589 114.554 -0.100 0.000 3.022 85 T HA -0.045 4.306 4.350 0.002 0.000 0.250 85 T C 1.827 176.487 174.700 -0.067 0.000 1.060 85 T CA -0.242 61.693 62.100 -0.275 0.000 1.013 85 T CB 0.109 68.605 68.868 -0.621 0.000 0.982 85 T HN 0.251 nan 8.240 nan 0.000 0.508 86 L N 2.467 123.660 121.223 -0.050 0.000 2.141 86 L HA 0.063 4.404 4.340 0.002 0.000 0.209 86 L C 2.640 179.403 176.870 -0.178 0.000 1.094 86 L CA 1.181 56.005 54.840 -0.025 0.000 0.763 86 L CB -0.915 41.200 42.059 0.092 0.000 0.908 86 L HN 0.666 nan 8.230 nan 0.000 0.437 87 C N -1.548 117.446 119.300 -0.510 0.000 2.409 87 C HA -0.025 4.437 4.460 0.002 0.000 0.284 87 C C 2.776 177.553 174.990 -0.355 0.000 1.354 87 C CA 0.214 58.627 59.018 -1.009 0.000 1.787 87 C CB -2.294 24.840 27.740 -1.010 0.000 1.900 87 C HN 0.577 nan 8.230 nan 0.000 0.520 88 A N 0.287 123.047 122.820 -0.100 0.000 2.121 88 A HA -0.129 4.192 4.320 0.002 0.000 0.218 88 A C 2.243 179.824 177.584 -0.006 0.000 1.154 88 A CA 1.389 53.427 52.037 0.001 0.000 0.679 88 A CB -0.606 18.486 19.000 0.153 0.000 0.795 88 A HN 0.818 nan 8.150 nan 0.000 0.458 89 Q N -0.192 119.602 119.800 -0.011 0.000 2.403 89 Q HA 0.084 4.425 4.340 0.002 0.000 0.203 89 Q C 0.491 176.517 176.000 0.044 0.000 0.932 89 Q CA 0.049 55.869 55.803 0.028 0.000 0.945 89 Q CB 0.112 28.879 28.738 0.049 0.000 1.045 89 Q HN 0.497 nan 8.270 nan 0.000 0.511 90 S N 0.513 116.228 115.700 0.024 0.000 2.510 90 S HA 0.037 4.508 4.470 0.002 0.000 0.279 90 S C 0.694 175.322 174.600 0.046 0.000 1.284 90 S CA -0.205 58.037 58.200 0.071 0.000 1.059 90 S CB 0.632 63.888 63.200 0.093 0.000 0.901 90 S HN 0.164 nan 8.310 nan 0.000 0.491 91 Q N 2.166 121.999 119.800 0.054 0.000 2.217 91 Q HA 0.264 4.605 4.340 0.002 0.000 0.217 91 Q C -0.322 175.699 176.000 0.035 0.000 0.844 91 Q CA 0.075 55.902 55.803 0.040 0.000 0.957 91 Q CB 0.734 29.497 28.738 0.042 0.000 1.127 91 Q HN 0.735 nan 8.270 nan 0.000 0.503 92 Q N 0.955 120.780 119.800 0.042 0.000 2.356 92 Q HA 0.280 4.621 4.340 0.002 0.000 0.270 92 Q C -1.495 174.529 176.000 0.039 0.000 1.058 92 Q CA -0.370 55.453 55.803 0.033 0.000 0.802 92 Q CB 1.405 30.158 28.738 0.026 0.000 1.303 92 Q HN -0.156 nan 8.270 nan 0.000 0.444 93 D N 1.880 122.298 120.400 0.030 0.000 2.345 93 D HA 0.433 5.074 4.640 0.002 0.000 0.247 93 D C 0.184 176.503 176.300 0.033 0.000 1.108 93 D CA 0.293 54.312 54.000 0.032 0.000 0.894 93 D CB 1.289 42.102 40.800 0.023 0.000 1.203 93 D HN 0.659 nan 8.370 nan 0.000 0.430 94 G N 1.062 109.886 108.800 0.040 0.000 2.543 94 G HA2 0.336 4.297 3.960 0.002 0.000 0.267 94 G HA3 0.336 4.297 3.960 0.002 0.000 0.267 94 G C -1.357 173.563 174.900 0.032 0.000 1.406 94 G CA -0.567 44.556 45.100 0.038 0.000 1.048 94 G HN 0.385 nan 8.290 nan 0.000 0.548 95 P HA 0.161 nan 4.420 nan 0.000 0.239 95 P C 0.307 177.624 177.300 0.029 0.000 1.188 95 P CA 0.026 63.144 63.100 0.031 0.000 0.794 95 P CB 0.182 31.903 31.700 0.035 0.000 0.937 96 C N 0.851 120.170 119.300 0.031 0.000 2.500 96 C HA 0.629 5.090 4.460 0.002 0.000 0.367 96 C C 1.012 176.015 174.990 0.021 0.000 1.283 96 C CA 0.081 59.115 59.018 0.027 0.000 2.456 96 C CB 0.906 28.665 27.740 0.031 0.000 2.457 96 C HN 0.403 nan 8.230 nan 0.000 0.632 97 T N -2.172 112.392 114.554 0.016 0.000 2.816 97 T HA 0.422 4.773 4.350 0.002 0.000 0.299 97 T C -2.541 172.164 174.700 0.009 0.000 1.230 97 T CA -1.024 61.083 62.100 0.012 0.000 1.007 97 T CB 1.190 70.064 68.868 0.009 0.000 1.289 97 T HN 0.267 nan 8.240 nan 0.000 0.508 98 P HA 0.045 nan 4.420 nan 0.000 0.220 98 P C 1.446 178.747 177.300 0.003 0.000 1.148 98 P CA 0.609 63.711 63.100 0.003 0.000 0.803 98 P CB 0.131 31.831 31.700 0.001 0.000 0.782 99 R N -0.136 120.365 120.500 0.003 0.000 2.119 99 R HA -0.019 4.322 4.340 0.002 0.000 0.222 99 R C 0.528 176.830 176.300 0.003 0.000 1.088 99 R CA 0.770 56.871 56.100 0.003 0.000 0.984 99 R CB 0.197 30.498 30.300 0.003 0.000 0.884 99 R HN 0.046 nan 8.270 nan 0.000 0.447 100 R N -0.180 120.324 120.500 0.005 0.000 2.561 100 R HA 0.142 4.484 4.340 0.002 0.000 0.266 100 R C -1.884 174.422 176.300 0.010 0.000 1.091 100 R CA -0.733 55.370 56.100 0.006 0.000 0.927 100 R CB -0.000 30.304 30.300 0.007 0.000 1.240 100 R HN 0.079 nan 8.270 nan 0.000 0.449 101 C N 4.368 123.673 119.300 0.009 0.000 2.347 101 C HA 0.553 5.014 4.460 0.002 0.000 0.353 101 C C 0.788 175.791 174.990 0.021 0.000 1.273 101 C CA -0.602 58.424 59.018 0.014 0.000 1.861 101 C CB -0.886 26.858 27.740 0.007 0.000 2.420 101 C HN 0.765 nan 8.230 nan 0.000 0.542 102 L N 5.897 127.138 121.223 0.030 0.000 3.110 102 L HA 0.287 4.628 4.340 0.002 0.000 0.266 102 L C 2.001 178.903 176.870 0.053 0.000 1.257 102 L CA 0.167 55.030 54.840 0.038 0.000 1.038 102 L CB -0.096 41.983 42.059 0.035 0.000 1.395 102 L HN 1.004 nan 8.230 nan 0.000 0.566 103 G N 0.341 109.174 108.800 0.055 0.000 2.470 103 G HA2 -0.257 3.704 3.960 0.002 0.000 0.220 103 G HA3 -0.257 3.704 3.960 0.002 0.000 0.220 103 G C 1.563 176.530 174.900 0.112 0.000 1.121 103 G CA 1.158 46.303 45.100 0.076 0.000 0.766 103 G HN 0.508 nan 8.290 nan 0.000 0.553 104 S N -0.617 115.146 115.700 0.105 0.000 2.593 104 S HA 0.322 4.794 4.470 0.002 0.000 0.217 104 S C 0.654 175.341 174.600 0.146 0.000 0.966 104 S CA -0.473 57.811 58.200 0.139 0.000 0.914 104 S CB -0.037 63.226 63.200 0.105 0.000 0.776 104 S HN -0.015 nan 8.310 nan 0.000 0.523 105 L N 1.999 123.291 121.223 0.116 0.000 2.380 105 L HA 0.268 4.610 4.340 0.002 0.000 0.273 105 L C 1.412 178.369 176.870 0.145 0.000 1.138 105 L CA 0.173 55.077 54.840 0.107 0.000 0.832 105 L CB 0.882 42.983 42.059 0.071 0.000 1.124 105 L HN -0.012 nan 8.230 nan 0.000 0.454 106 V N 3.198 123.204 119.914 0.153 0.000 2.283 106 V HA -0.059 4.062 4.120 0.002 0.000 0.243 106 V C 0.756 176.911 176.094 0.102 0.000 1.039 106 V CA 1.123 63.540 62.300 0.194 0.000 1.016 106 V CB -0.288 31.648 31.823 0.189 0.000 0.650 106 V HN 0.477 nan 8.190 nan 0.000 0.449 107 L N 0.920 122.162 121.223 0.032 0.000 2.330 107 L HA 0.483 4.824 4.340 0.002 0.000 0.271 107 L C -2.280 174.622 176.870 0.054 0.000 1.013 107 L CA -1.821 53.024 54.840 0.009 0.000 0.816 107 L CB 1.183 43.180 42.059 -0.103 0.000 1.287 107 L HN 0.109 nan 8.230 nan 0.000 0.435 108 P HA 0.190 nan 4.420 nan 0.000 0.275 108 P C -0.563 176.756 177.300 0.032 0.000 1.227 108 P CA -0.619 62.516 63.100 0.059 0.000 0.781 108 P CB 1.120 32.861 31.700 0.068 0.000 0.906 120 P HA 0.311 nan 4.420 nan 0.000 0.272 120 P C -2.531 174.771 177.300 0.004 0.000 1.230 120 P CA -0.855 62.242 63.100 -0.005 0.000 0.788 120 P CB -0.756 30.939 31.700 -0.008 0.000 0.949 121 P HA -0.008 nan 4.420 nan 0.000 0.261 121 P C 0.836 178.143 177.300 0.012 0.000 1.183 121 P CA 0.287 63.391 63.100 0.007 0.000 0.761 121 P CB 0.169 31.873 31.700 0.006 0.000 0.785 122 A N 4.084 126.912 122.820 0.013 0.000 1.917 122 A HA -0.272 4.049 4.320 0.002 0.000 0.219 122 A C 2.149 179.741 177.584 0.013 0.000 1.182 122 A CA 2.048 54.094 52.037 0.016 0.000 0.633 122 A CB -1.045 17.963 19.000 0.014 0.000 0.819 122 A HN 0.650 nan 8.150 nan 0.000 0.448 123 E N -0.657 119.548 120.200 0.009 0.000 2.058 123 E HA -0.292 4.059 4.350 0.002 0.000 0.194 123 E C 2.213 178.819 176.600 0.011 0.000 0.997 123 E CA 1.526 57.931 56.400 0.007 0.000 0.801 123 E CB -0.220 29.483 29.700 0.005 0.000 0.746 123 E HN 0.769 nan 8.360 nan 0.000 0.450 124 Q N -0.010 119.798 119.800 0.014 0.000 2.020 124 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 124 Q C 2.401 178.417 176.000 0.027 0.000 0.982 124 Q CA 1.463 57.277 55.803 0.018 0.000 0.838 124 Q CB -0.161 28.586 28.738 0.015 0.000 0.899 124 Q HN 0.370 nan 8.270 nan 0.000 0.423 125 L N 0.700 121.941 121.223 0.031 0.000 2.012 125 L HA -0.199 4.142 4.340 0.002 0.000 0.210 125 L C 2.167 179.066 176.870 0.048 0.000 1.073 125 L CA 1.605 56.477 54.840 0.053 0.000 0.748 125 L CB -0.826 41.272 42.059 0.063 0.000 0.891 125 L HN 0.370 nan 8.230 nan 0.000 0.431 126 L N -0.564 120.669 121.223 0.016 0.000 2.083 126 L HA -0.183 4.159 4.340 0.002 0.000 0.209 126 L C 2.716 179.583 176.870 -0.004 0.000 1.083 126 L CA 2.104 56.932 54.840 -0.019 0.000 0.752 126 L CB -0.798 41.248 42.059 -0.022 0.000 0.899 126 L HN 0.630 nan 8.230 nan 0.000 0.433 127 S N -1.942 113.769 115.700 0.018 0.000 2.387 127 S HA -0.201 4.270 4.470 0.002 0.000 0.226 127 S C 1.884 176.519 174.600 0.059 0.000 1.026 127 S CA 0.922 59.140 58.200 0.030 0.000 0.972 127 S CB -0.554 62.663 63.200 0.028 0.000 0.814 127 S HN 0.623 nan 8.310 nan 0.000 0.477 128 Q N 1.083 120.925 119.800 0.070 0.000 2.119 128 Q HA 0.100 4.441 4.340 0.002 0.000 0.201 128 Q C 2.584 178.684 176.000 0.166 0.000 0.972 128 Q CA 1.300 57.168 55.803 0.108 0.000 0.847 128 Q CB -0.481 28.312 28.738 0.091 0.000 0.903 128 Q HN 0.764 nan 8.270 nan 0.000 0.433 129 A N 1.171 124.068 122.820 0.127 0.000 1.898 129 A HA -0.176 4.145 4.320 0.002 0.000 0.216 129 A C 1.989 179.649 177.584 0.127 0.000 1.181 129 A CA 1.157 53.264 52.037 0.117 0.000 0.620 129 A CB -0.344 18.503 19.000 -0.255 0.000 0.819 129 A HN 0.185 nan 8.150 nan 0.000 0.442 130 R N -0.594 119.942 120.500 0.061 0.000 2.081 130 R HA -0.170 4.171 4.340 0.002 0.000 0.235 130 R C 2.049 178.424 176.300 0.124 0.000 1.131 130 R CA 1.687 57.830 56.100 0.072 0.000 0.960 130 R CB -0.464 29.857 30.300 0.034 0.000 0.856 130 R HN 0.718 nan 8.270 nan 0.000 0.436 131 D N 0.069 120.550 120.400 0.135 0.000 2.123 131 D HA -0.217 4.425 4.640 0.002 0.000 0.196 131 D C 1.668 178.082 176.300 0.190 0.000 0.992 131 D CA 1.089 55.176 54.000 0.145 0.000 0.833 131 D CB -0.088 40.797 40.800 0.141 0.000 0.954 131 D HN 0.133 nan 8.370 nan 0.000 0.455 132 F N 0.841 120.875 119.950 0.139 0.000 2.075 132 F HA -0.080 4.448 4.527 0.002 0.000 0.297 132 F C 2.015 177.945 175.800 0.217 0.000 1.113 132 F CA 1.082 59.198 58.000 0.193 0.000 1.218 132 F CB -0.316 38.805 39.000 0.202 0.000 0.984 132 F HN -0.023 nan 8.300 nan 0.000 0.472 133 I N 1.020 121.597 120.570 0.011 0.000 2.264 133 I HA -0.320 3.851 4.170 0.002 0.000 0.248 133 I C 1.995 178.117 176.117 0.008 0.000 1.111 133 I CA 1.235 62.538 61.300 0.005 0.000 1.382 133 I CB -1.656 36.467 38.000 0.205 0.000 1.060 133 I HN 0.261 nan 8.210 nan 0.000 0.418 134 N N 0.875 119.606 118.700 0.053 0.000 2.084 134 N HA -0.179 4.562 4.740 0.002 0.000 0.190 134 N C 1.842 177.282 175.510 -0.117 0.000 1.030 134 N CA 1.083 54.145 53.050 0.021 0.000 0.849 134 N CB -0.342 38.214 38.487 0.114 0.000 1.012 134 N HN 0.491 nan 8.380 nan 0.000 0.423 135 Q N -0.521 119.220 119.800 -0.097 0.000 2.096 135 Q HA -0.201 4.140 4.340 0.002 0.000 0.204 135 Q C 1.817 177.568 176.000 -0.416 0.000 0.982 135 Q CA 1.418 57.170 55.803 -0.085 0.000 0.850 135 Q CB -0.293 28.535 28.738 0.150 0.000 0.901 135 Q HN 0.466 nan 8.270 nan 0.000 0.422 136 Y N 0.020 119.810 120.300 -0.850 0.000 2.114 136 Y HA -0.295 4.256 4.550 0.002 0.000 0.284 136 Y C 1.758 177.081 175.900 -0.961 0.000 1.143 136 Y CA 1.627 58.927 58.100 -1.332 0.000 1.135 136 Y CB -0.509 37.274 38.460 -1.128 0.000 0.980 136 Y HN 0.083 nan 8.280 nan 0.000 0.499 137 Y N -0.324 119.538 120.300 -0.730 0.000 2.333 137 Y HA -0.197 4.354 4.550 0.002 0.000 0.290 137 Y C 2.761 178.323 175.900 -0.564 0.000 1.144 137 Y CA 1.697 59.362 58.100 -0.724 0.000 1.228 137 Y CB -0.475 37.480 38.460 -0.842 0.000 0.985 137 Y HN 0.097 nan 8.280 nan 0.000 0.542 138 S N -0.749 114.730 115.700 -0.368 0.000 2.383 138 S HA -0.195 4.276 4.470 0.002 0.000 0.227 138 S C 2.262 176.702 174.600 -0.266 0.000 1.026 138 S CA 1.259 59.319 58.200 -0.232 0.000 0.981 138 S CB -0.536 62.582 63.200 -0.137 0.000 0.818 138 S HN 0.641 nan 8.310 nan 0.000 0.472 139 S N 2.512 117.962 115.700 -0.416 0.000 2.399 139 S HA -0.052 4.419 4.470 0.002 0.000 0.231 139 S C 1.593 175.989 174.600 -0.339 0.000 1.022 139 S CA 1.053 59.055 58.200 -0.329 0.000 0.983 139 S CB -0.789 62.146 63.200 -0.441 0.000 0.803 139 S HN 0.729 nan 8.310 nan 0.000 0.480 140 I N -2.398 117.864 120.570 -0.513 0.000 3.861 140 I HA 0.428 4.599 4.170 0.002 0.000 0.329 140 I C -0.037 175.932 176.117 -0.246 0.000 1.321 140 I CA -0.610 60.455 61.300 -0.391 0.000 1.126 140 I CB -0.584 37.090 38.000 -0.544 0.000 1.018 140 I HN 0.009 nan 8.210 nan 0.000 0.407 141 K N 1.931 122.208 120.400 -0.206 0.000 3.096 141 K HA -0.175 4.147 4.320 0.002 0.000 0.266 141 K C 0.027 176.577 176.600 -0.082 0.000 1.043 141 K CA 0.690 56.906 56.287 -0.119 0.000 0.758 141 K CB -1.354 31.095 32.500 -0.084 0.000 1.260 141 K HN 0.612 nan 8.250 nan 0.000 0.481 142 R N 0.017 120.470 120.500 -0.078 0.000 2.690 142 R HA 0.098 4.439 4.340 0.002 0.000 0.419 142 R C -0.122 176.220 176.300 0.070 0.000 1.090 142 R CA -0.266 55.846 56.100 0.020 0.000 1.064 142 R CB 1.295 31.643 30.300 0.081 0.000 1.391 142 R HN 0.125 nan 8.270 nan 0.000 0.586 143 S N -0.168 115.542 115.700 0.016 0.000 2.560 143 S HA 0.231 4.702 4.470 0.002 0.000 0.284 143 S C 1.513 176.216 174.600 0.172 0.000 1.327 143 S CA 1.424 59.666 58.200 0.071 0.000 1.055 143 S CB 0.657 63.872 63.200 0.024 0.000 0.868 143 S HN 0.713 nan 8.310 nan 0.000 0.506 144 G N 2.991 112.026 108.800 0.392 0.000 2.257 144 G HA2 -0.336 3.625 3.960 0.002 0.000 0.267 144 G HA3 -0.336 3.625 3.960 0.002 0.000 0.267 144 G C 0.452 175.362 174.900 0.017 0.000 0.984 144 G CA 0.870 46.025 45.100 0.093 0.000 0.626 144 G HN 1.695 nan 8.290 nan 0.000 0.540 145 S N -0.552 115.180 115.700 0.054 0.000 2.611 145 S HA 0.278 4.749 4.470 0.002 0.000 0.252 145 S C 1.442 176.019 174.600 -0.038 0.000 1.369 145 S CA 0.942 59.148 58.200 0.011 0.000 0.975 145 S CB 0.804 64.028 63.200 0.040 0.000 0.937 145 S HN 0.750 nan 8.310 nan 0.000 0.584 146 Q N 0.484 120.266 119.800 -0.030 0.000 2.046 146 Q HA -0.078 4.263 4.340 0.002 0.000 0.200 146 Q C 2.274 178.235 176.000 -0.065 0.000 0.975 146 Q CA 1.415 57.191 55.803 -0.045 0.000 0.836 146 Q CB -0.857 27.869 28.738 -0.020 0.000 0.896 146 Q HN 0.907 nan 8.270 nan 0.000 0.428 147 A N 0.360 123.158 122.820 -0.036 0.000 1.940 147 A HA -0.264 4.057 4.320 0.002 0.000 0.219 147 A C 1.917 179.322 177.584 -0.299 0.000 1.176 147 A CA 1.761 53.779 52.037 -0.031 0.000 0.631 147 A CB -1.120 17.971 19.000 0.152 0.000 0.814 147 A HN 0.738 nan 8.150 nan 0.000 0.446 148 H N -0.621 118.023 119.070 -0.710 0.000 2.293 148 H HA -0.138 4.419 4.556 0.002 0.000 0.300 148 H C 2.113 177.129 175.328 -0.520 0.000 1.082 148 H CA 1.573 56.940 56.048 -1.135 0.000 1.308 148 H CB 0.048 29.362 29.762 -0.748 0.000 1.375 148 H HN 0.620 nan 8.280 nan 0.000 0.495 149 E N 0.257 120.267 120.200 -0.318 0.000 2.085 149 E HA -0.177 4.174 4.350 0.002 0.000 0.194 149 E C 2.278 178.779 176.600 -0.164 0.000 0.994 149 E CA 1.207 57.442 56.400 -0.275 0.000 0.801 149 E CB 0.043 29.626 29.700 -0.196 0.000 0.743 149 E HN 0.619 nan 8.360 nan 0.000 0.453 150 E N 0.349 120.478 120.200 -0.119 0.000 2.051 150 E HA -0.207 4.144 4.350 0.002 0.000 0.192 150 E C 2.193 178.774 176.600 -0.032 0.000 0.991 150 E CA 0.769 57.135 56.400 -0.058 0.000 0.799 150 E CB -0.026 29.658 29.700 -0.026 0.000 0.748 150 E HN -0.045 nan 8.360 nan 0.000 0.449 151 R N 1.308 121.791 120.500 -0.029 0.000 2.081 151 R HA -0.104 4.237 4.340 0.002 0.000 0.235 151 R C 2.188 178.504 176.300 0.026 0.000 1.131 151 R CA 1.154 57.284 56.100 0.050 0.000 0.960 151 R CB -0.680 29.711 30.300 0.153 0.000 0.856 151 R HN 0.151 nan 8.270 nan 0.000 0.436 152 L N 0.150 121.359 121.223 -0.023 0.000 2.079 152 L HA -0.221 4.120 4.340 0.002 0.000 0.210 152 L C 2.579 179.418 176.870 -0.052 0.000 1.081 152 L CA 1.688 56.504 54.840 -0.040 0.000 0.752 152 L CB -0.426 41.569 42.059 -0.106 0.000 0.896 152 L HN 0.362 nan 8.230 nan 0.000 0.433 153 Q N -0.383 119.386 119.800 -0.052 0.000 2.079 153 Q HA -0.221 4.121 4.340 0.002 0.000 0.200 153 Q C 2.111 178.100 176.000 -0.018 0.000 0.974 153 Q CA 1.473 57.252 55.803 -0.039 0.000 0.840 153 Q CB -0.033 28.683 28.738 -0.037 0.000 0.898 153 Q HN 0.559 nan 8.270 nan 0.000 0.430 154 E N -0.122 120.079 120.200 0.001 0.000 2.051 154 E HA -0.162 4.189 4.350 0.002 0.000 0.192 154 E C 2.104 178.717 176.600 0.021 0.000 0.991 154 E CA 1.352 57.768 56.400 0.027 0.000 0.799 154 E CB 0.030 29.765 29.700 0.058 0.000 0.748 154 E HN 0.123 nan 8.360 nan 0.000 0.449 155 V N 1.452 121.354 119.914 -0.020 0.000 2.343 155 V HA -0.258 3.863 4.120 0.002 0.000 0.247 155 V C 2.334 178.358 176.094 -0.117 0.000 1.051 155 V CA 1.915 64.140 62.300 -0.126 0.000 1.036 155 V CB -0.460 31.177 31.823 -0.309 0.000 0.654 155 V HN 0.277 nan 8.190 nan 0.000 0.451 156 E N 0.128 120.278 120.200 -0.083 0.000 2.077 156 E HA -0.240 4.111 4.350 0.002 0.000 0.193 156 E C 2.279 178.866 176.600 -0.022 0.000 0.989 156 E CA 1.399 57.765 56.400 -0.057 0.000 0.800 156 E CB -0.207 29.465 29.700 -0.047 0.000 0.746 156 E HN 0.571 nan 8.360 nan 0.000 0.452 157 A N 0.947 123.763 122.820 -0.006 0.000 1.902 157 A HA -0.240 4.081 4.320 0.002 0.000 0.217 157 A C 2.019 179.623 177.584 0.034 0.000 1.181 157 A CA 1.722 53.767 52.037 0.013 0.000 0.623 157 A CB -0.522 18.489 19.000 0.018 0.000 0.818 157 A HN 0.348 nan 8.150 nan 0.000 0.443 158 E N -0.496 119.736 120.200 0.054 0.000 2.072 158 E HA -0.108 4.243 4.350 0.002 0.000 0.191 158 E C 1.933 178.588 176.600 0.090 0.000 0.985 158 E CA 1.242 57.699 56.400 0.096 0.000 0.801 158 E CB -0.069 29.730 29.700 0.165 0.000 0.750 158 E HN 0.345 nan 8.360 nan 0.000 0.452 159 V N 0.988 120.941 119.914 0.064 0.000 2.358 159 V HA -0.245 3.876 4.120 0.002 0.000 0.246 159 V C 2.338 178.455 176.094 0.038 0.000 1.047 159 V CA 1.726 64.061 62.300 0.058 0.000 1.035 159 V CB -0.631 31.204 31.823 0.020 0.000 0.658 159 V HN 0.379 nan 8.190 nan 0.000 0.452 160 A N -0.465 122.369 122.820 0.023 0.000 1.902 160 A HA -0.194 4.127 4.320 0.002 0.000 0.217 160 A C 2.464 180.063 177.584 0.025 0.000 1.181 160 A CA 2.378 54.426 52.037 0.018 0.000 0.623 160 A CB -0.531 18.475 19.000 0.010 0.000 0.818 160 A HN 0.520 nan 8.150 nan 0.000 0.443 161 S N -1.240 114.480 115.700 0.033 0.000 2.406 161 S HA -0.052 4.420 4.470 0.002 0.000 0.224 161 S C 1.983 176.608 174.600 0.042 0.000 1.030 161 S CA 1.602 59.823 58.200 0.035 0.000 0.958 161 S CB -0.138 63.085 63.200 0.038 0.000 0.811 161 S HN 0.879 nan 8.310 nan 0.000 0.489 162 T N -2.524 112.063 114.554 0.055 0.000 3.010 162 T HA 0.461 4.813 4.350 0.002 0.000 0.257 162 T C 1.429 176.161 174.700 0.054 0.000 1.020 162 T CA 0.909 63.045 62.100 0.061 0.000 0.938 162 T CB 0.538 69.458 68.868 0.086 0.000 1.049 162 T HN 0.511 nan 8.240 nan 0.000 0.522 163 G N 0.213 109.044 108.800 0.052 0.000 2.179 163 G HA2 -0.204 3.757 3.960 0.002 0.000 0.260 163 G HA3 -0.204 3.757 3.960 0.002 0.000 0.260 163 G C 0.208 175.139 174.900 0.052 0.000 0.977 163 G CA 0.558 45.683 45.100 0.043 0.000 0.641 163 G HN 1.022 nan 8.290 nan 0.000 0.533 164 T N -1.443 113.156 114.554 0.074 0.000 2.671 164 T HA 0.710 5.061 4.350 0.002 0.000 0.300 164 T C -1.150 173.650 174.700 0.166 0.000 1.238 164 T CA 0.389 62.532 62.100 0.072 0.000 1.020 164 T CB 1.491 70.325 68.868 -0.058 0.000 1.503 164 T HN 1.496 nan 8.240 nan 0.000 0.497 165 Y N -0.844 119.365 120.300 -0.151 0.000 2.764 165 Y HA 0.830 5.381 4.550 0.002 0.000 0.331 165 Y C -1.663 174.033 175.900 -0.341 0.000 1.280 165 Y CA -1.211 56.836 58.100 -0.088 0.000 1.065 165 Y CB 0.933 39.398 38.460 0.009 0.000 1.319 165 Y HN 0.749 nan 8.280 nan 0.000 0.453 166 H N 0.648 119.728 119.070 0.016 0.000 2.717 166 H HA 0.598 5.155 4.556 0.002 0.000 0.366 166 H C -1.050 174.299 175.328 0.035 0.000 1.132 166 H CA -0.791 55.203 56.048 -0.090 0.000 1.180 166 H CB 1.995 31.759 29.762 0.003 0.000 1.678 166 H HN 0.693 nan 8.280 nan 0.000 0.537 167 L N 2.587 123.850 121.223 0.067 0.000 2.395 167 L HA 0.396 4.738 4.340 0.002 0.000 0.269 167 L C 0.438 177.375 176.870 0.111 0.000 1.133 167 L CA -0.902 54.016 54.840 0.130 0.000 0.812 167 L CB 0.417 42.518 42.059 0.070 0.000 1.125 167 L HN 0.404 nan 8.230 nan 0.000 0.452 168 R N 1.175 121.724 120.500 0.082 0.000 2.560 168 R HA 0.060 4.402 4.340 0.002 0.000 0.270 168 R C 0.907 177.199 176.300 -0.013 0.000 1.074 168 R CA -0.338 55.783 56.100 0.034 0.000 1.140 168 R CB 0.396 30.705 30.300 0.015 0.000 1.073 168 R HN 0.648 nan 8.270 nan 0.000 0.527 169 E N 0.959 121.149 120.200 -0.017 0.000 2.085 169 E HA -0.218 4.133 4.350 0.002 0.000 0.194 169 E C 1.229 177.805 176.600 -0.041 0.000 0.994 169 E CA 1.996 58.374 56.400 -0.037 0.000 0.801 169 E CB 0.181 29.864 29.700 -0.029 0.000 0.743 169 E HN 0.653 nan 8.360 nan 0.000 0.453 170 S N 0.103 115.780 115.700 -0.038 0.000 2.399 170 S HA -0.191 4.280 4.470 0.002 0.000 0.231 170 S C 1.748 176.305 174.600 -0.072 0.000 1.022 170 S CA 1.312 59.507 58.200 -0.008 0.000 0.983 170 S CB -0.293 62.935 63.200 0.047 0.000 0.803 170 S HN 0.346 nan 8.310 nan 0.000 0.480 171 E N 0.850 120.884 120.200 -0.276 0.000 2.107 171 E HA 0.006 4.357 4.350 0.002 0.000 0.191 171 E C 2.002 178.698 176.600 0.160 0.000 0.982 171 E CA 0.935 57.173 56.400 -0.270 0.000 0.809 171 E CB -0.295 29.287 29.700 -0.196 0.000 0.756 171 E HN 0.433 nan 8.360 nan 0.000 0.459 172 L N 0.662 121.896 121.223 0.019 0.000 2.046 172 L HA -0.148 4.193 4.340 0.002 0.000 0.208 172 L C 2.139 178.985 176.870 -0.041 0.000 1.077 172 L CA 1.316 56.110 54.840 -0.075 0.000 0.747 172 L CB -0.188 41.763 42.059 -0.179 0.000 0.896 172 L HN -0.051 nan 8.230 nan 0.000 0.432 173 V N -0.550 119.372 119.914 0.013 0.000 2.307 173 V HA -0.297 3.824 4.120 0.002 0.000 0.245 173 V C 2.317 178.498 176.094 0.146 0.000 1.045 173 V CA 2.086 64.408 62.300 0.037 0.000 1.024 173 V CB -0.892 30.953 31.823 0.037 0.000 0.651 173 V HN 0.576 nan 8.190 nan 0.000 0.449 174 F N 2.112 122.139 119.950 0.128 0.000 2.134 174 F HA -0.054 4.475 4.527 0.002 0.000 0.299 174 F C 2.120 178.066 175.800 0.242 0.000 1.097 174 F CA 1.732 59.865 58.000 0.222 0.000 1.264 174 F CB -0.820 38.387 39.000 0.345 0.000 1.001 174 F HN 0.123 nan 8.300 nan 0.000 0.479 175 G N -0.273 108.644 108.800 0.195 0.000 2.408 175 G HA2 -0.164 3.797 3.960 0.002 0.000 0.217 175 G HA3 -0.164 3.797 3.960 0.002 0.000 0.217 175 G C 1.808 176.605 174.900 -0.171 0.000 1.150 175 G CA 0.717 45.826 45.100 0.015 0.000 0.776 175 G HN 0.623 nan 8.290 nan 0.000 0.542 176 A N 0.918 123.659 122.820 -0.132 0.000 1.898 176 A HA 0.027 4.348 4.320 0.002 0.000 0.216 176 A C 2.296 179.893 177.584 0.021 0.000 1.181 176 A CA 1.903 53.868 52.037 -0.119 0.000 0.620 176 A CB -0.338 18.616 19.000 -0.078 0.000 0.819 176 A HN 0.362 nan 8.150 nan 0.000 0.442 177 K N -0.672 119.772 120.400 0.074 0.000 2.057 177 K HA -0.142 4.179 4.320 0.002 0.000 0.207 177 K C 2.273 178.948 176.600 0.125 0.000 1.049 177 K CA 1.384 57.821 56.287 0.249 0.000 0.931 177 K CB -0.130 32.549 32.500 0.298 0.000 0.714 177 K HN 0.387 nan 8.250 nan 0.000 0.440 178 Q N 0.052 119.742 119.800 -0.184 0.000 2.119 178 Q HA -0.061 4.280 4.340 0.002 0.000 0.201 178 Q C 2.159 178.033 176.000 -0.210 0.000 0.972 178 Q CA 1.408 57.008 55.803 -0.338 0.000 0.847 178 Q CB -0.218 28.214 28.738 -0.511 0.000 0.903 178 Q HN 0.326 nan 8.270 nan 0.000 0.433 179 A N 0.103 122.816 122.820 -0.179 0.000 1.933 179 A HA -0.171 4.150 4.320 0.002 0.000 0.218 179 A C 1.803 179.451 177.584 0.107 0.000 1.175 179 A CA 1.231 53.136 52.037 -0.221 0.000 0.628 179 A CB -0.839 17.728 19.000 -0.721 0.000 0.814 179 A HN 0.511 nan 8.150 nan 0.000 0.444 180 W N 0.996 122.323 121.300 0.045 0.000 2.378 180 W HA -0.111 4.550 4.660 0.002 0.000 0.313 180 W C 2.327 178.806 176.519 -0.067 0.000 1.197 180 W CA 1.495 58.880 57.345 0.066 0.000 1.304 180 W CB -0.730 28.763 29.460 0.055 0.000 1.148 180 W HN 0.358 nan 8.180 nan 0.000 0.494 181 R N 0.363 120.787 120.500 -0.127 0.000 2.117 181 R HA -0.196 4.145 4.340 0.002 0.000 0.243 181 R C 1.493 177.622 176.300 -0.285 0.000 1.143 181 R CA 1.850 57.642 56.100 -0.514 0.000 0.968 181 R CB -0.574 29.074 30.300 -1.087 0.000 0.863 181 R HN 0.118 nan 8.270 nan 0.000 0.444 182 N N 0.210 118.806 118.700 -0.174 0.000 2.412 182 N HA 0.023 4.765 4.740 0.002 0.000 0.184 182 N C -0.368 175.099 175.510 -0.071 0.000 1.101 182 N CA 0.600 53.574 53.050 -0.126 0.000 0.881 182 N CB 0.480 38.898 38.487 -0.114 0.000 0.969 182 N HN 0.165 nan 8.380 nan 0.000 0.459 183 A N 2.009 124.833 122.820 0.007 0.000 2.444 183 A HA 0.253 4.574 4.320 0.002 0.000 0.287 183 A C -1.258 176.305 177.584 -0.035 0.000 1.195 183 A CA -0.956 51.085 52.037 0.006 0.000 0.858 183 A CB 0.337 19.380 19.000 0.071 0.000 1.117 183 A HN -0.003 nan 8.150 nan 0.000 0.521 184 P HA -0.130 nan 4.420 nan 0.000 0.219 184 P C 1.100 178.354 177.300 -0.076 0.000 1.146 184 P CA 1.158 64.203 63.100 -0.092 0.000 0.808 184 P CB 0.155 31.767 31.700 -0.146 0.000 0.779 185 R N -2.123 118.299 120.500 -0.130 0.000 2.310 185 R HA 0.136 4.477 4.340 0.002 0.000 0.202 185 R C 0.284 176.600 176.300 0.026 0.000 0.933 185 R CA -0.102 55.948 56.100 -0.084 0.000 1.054 185 R CB -0.452 29.615 30.300 -0.388 0.000 0.985 185 R HN 0.188 nan 8.270 nan 0.000 0.489 186 C N 0.586 119.882 119.300 -0.007 0.000 2.265 186 C HA 0.231 4.692 4.460 0.002 0.000 0.332 186 C C 1.832 176.775 174.990 -0.078 0.000 1.248 186 C CA -0.667 58.366 59.018 0.025 0.000 1.727 186 C CB 0.590 28.405 27.740 0.125 0.000 2.348 186 C HN 0.271 nan 8.230 nan 0.000 0.519 187 V N 6.016 125.837 119.914 -0.154 0.000 3.541 187 V HA 0.210 4.331 4.120 0.002 0.000 0.267 187 V C 1.778 177.888 176.094 0.026 0.000 1.213 187 V CA 2.014 64.116 62.300 -0.329 0.000 1.149 187 V CB -0.107 31.543 31.823 -0.289 0.000 0.822 187 V HN 1.077 nan 8.190 nan 0.000 0.462 188 G N -0.657 108.191 108.800 0.080 0.000 3.371 188 G HA2 0.036 3.997 3.960 0.002 0.000 0.248 188 G HA3 0.036 3.997 3.960 0.002 0.000 0.248 188 G C 1.259 176.202 174.900 0.072 0.000 1.161 188 G CA -0.317 44.850 45.100 0.111 0.000 0.796 188 G HN 0.432 nan 8.290 nan 0.000 0.539 189 R N -0.270 120.194 120.500 -0.060 0.000 2.293 189 R HA 0.077 4.418 4.340 0.002 0.000 0.219 189 R C 2.042 177.979 176.300 -0.605 0.000 1.091 189 R CA 0.242 56.027 56.100 -0.525 0.000 1.004 189 R CB -0.188 29.727 30.300 -0.642 0.000 0.865 189 R HN 0.453 nan 8.270 nan 0.000 0.469 190 I N 0.973 121.361 120.570 -0.302 0.000 2.567 190 I HA -0.260 3.911 4.170 0.002 0.000 0.257 190 I C 1.417 177.465 176.117 -0.116 0.000 1.184 190 I CA 1.326 62.591 61.300 -0.059 0.000 1.451 190 I CB 0.157 38.201 38.000 0.073 0.000 1.089 190 I HN 0.166 nan 8.210 nan 0.000 0.441 191 Q N 0.405 120.072 119.800 -0.223 0.000 2.403 191 Q HA -0.098 4.243 4.340 0.002 0.000 0.203 191 Q C 1.576 177.176 176.000 -0.668 0.000 0.932 191 Q CA 0.364 56.020 55.803 -0.245 0.000 0.945 191 Q CB -0.220 28.533 28.738 0.026 0.000 1.045 191 Q HN 0.801 nan 8.270 nan 0.000 0.511 192 W N 0.042 120.650 121.300 -1.153 0.000 2.331 192 W HA -0.123 4.538 4.660 0.002 0.000 0.291 192 W C 1.091 177.321 176.519 -0.482 0.000 1.214 192 W CA 1.204 57.731 57.345 -1.362 0.000 1.228 192 W CB -1.160 27.692 29.460 -1.014 0.000 1.135 192 W HN 0.079 nan 8.180 nan 0.000 0.537 193 G N 1.087 109.211 108.800 -1.127 0.000 2.744 193 G HA2 -0.134 3.828 3.960 0.002 0.000 0.211 193 G HA3 -0.134 3.828 3.960 0.002 0.000 0.211 193 G C 0.660 175.349 174.900 -0.351 0.000 1.143 193 G CA -0.124 44.404 45.100 -0.953 0.000 0.788 193 G HN 0.228 nan 8.290 nan 0.000 0.534 194 K N 0.282 120.580 120.400 -0.170 0.000 2.419 194 K HA 0.536 4.857 4.320 0.002 0.000 0.244 194 K C -1.769 174.950 176.600 0.198 0.000 1.045 194 K CA -0.701 55.596 56.287 0.017 0.000 1.004 194 K CB 0.556 33.087 32.500 0.052 0.000 1.376 194 K HN 0.064 nan 8.250 nan 0.000 0.460 195 L N 3.307 124.622 121.223 0.154 0.000 2.516 195 L HA 0.299 4.640 4.340 0.002 0.000 0.267 195 L C -1.392 175.478 176.870 0.001 0.000 0.957 195 L CA -0.370 54.573 54.840 0.171 0.000 0.860 195 L CB 1.969 44.204 42.059 0.293 0.000 1.265 195 L HN 0.501 nan 8.230 nan 0.000 0.403 196 Q N 3.357 123.106 119.800 -0.084 0.000 2.295 196 Q HA 0.542 4.883 4.340 0.002 0.000 0.259 196 Q C -1.602 174.074 176.000 -0.540 0.000 0.976 196 Q CA -0.083 55.499 55.803 -0.368 0.000 0.923 196 Q CB 1.252 29.670 28.738 -0.533 0.000 1.185 196 Q HN 0.525 nan 8.270 nan 0.000 0.410 197 V N 6.291 125.889 119.914 -0.526 0.000 2.347 197 V HA 0.401 4.522 4.120 0.002 0.000 0.280 197 V C -0.717 175.030 176.094 -0.579 0.000 1.021 197 V CA -0.545 61.497 62.300 -0.430 0.000 0.847 197 V CB 0.380 32.068 31.823 -0.225 0.000 0.990 197 V HN 0.651 nan 8.190 nan 0.000 0.444 198 F N 2.754 122.577 119.950 -0.211 0.000 2.405 198 F HA 0.377 4.905 4.527 0.002 0.000 0.355 198 F C 0.495 176.122 175.800 -0.289 0.000 1.121 198 F CA -0.999 56.866 58.000 -0.225 0.000 1.112 198 F CB 1.047 39.922 39.000 -0.209 0.000 1.126 198 F HN 0.429 nan 8.300 nan 0.000 0.481 199 D N 3.121 123.471 120.400 -0.083 0.000 2.365 199 D HA 0.387 5.029 4.640 0.002 0.000 0.237 199 D C 0.124 176.234 176.300 -0.317 0.000 1.190 199 D CA 0.042 53.923 54.000 -0.198 0.000 0.867 199 D CB 1.188 41.916 40.800 -0.120 0.000 1.050 199 D HN 0.609 nan 8.370 nan 0.000 0.491 200 A N 4.543 127.006 122.820 -0.597 0.000 2.574 200 A HA 0.156 4.478 4.320 0.002 0.000 0.283 200 A C 1.491 178.760 177.584 -0.524 0.000 1.270 200 A CA -0.392 51.044 52.037 -1.001 0.000 0.945 200 A CB 0.022 17.948 19.000 -1.790 0.000 1.127 200 A HN 0.556 nan 8.150 nan 0.000 0.522 201 R N 0.918 121.246 120.500 -0.287 0.000 2.339 201 R HA -0.044 4.297 4.340 0.002 0.000 0.199 201 R C 0.124 176.376 176.300 -0.080 0.000 1.018 201 R CA 1.077 57.092 56.100 -0.142 0.000 1.036 201 R CB 0.050 30.326 30.300 -0.040 0.000 0.899 201 R HN 0.640 nan 8.270 nan 0.000 0.473 202 D N -0.786 119.587 120.400 -0.046 0.000 2.463 202 D HA -0.018 4.623 4.640 0.002 0.000 0.224 202 D C -0.227 176.140 176.300 0.112 0.000 1.174 202 D CA -0.345 53.681 54.000 0.043 0.000 0.829 202 D CB -0.406 40.440 40.800 0.076 0.000 0.993 202 D HN -0.022 nan 8.370 nan 0.000 0.497 203 C N 1.683 121.028 119.300 0.075 0.000 2.435 203 C HA 0.459 4.920 4.460 0.002 0.000 0.375 203 C C 1.598 176.713 174.990 0.207 0.000 1.281 203 C CA 0.081 59.217 59.018 0.197 0.000 1.963 203 C CB 0.031 27.904 27.740 0.221 0.000 2.490 203 C HN 0.443 nan 8.230 nan 0.000 0.557 204 S N 2.526 118.397 115.700 0.285 0.000 2.666 204 S HA 0.303 4.774 4.470 0.002 0.000 0.239 204 S C 0.028 174.803 174.600 0.291 0.000 1.031 204 S CA 0.178 58.578 58.200 0.334 0.000 1.015 204 S CB -0.206 63.119 63.200 0.209 0.000 0.981 204 S HN 1.165 nan 8.310 nan 0.000 0.547 205 S N -0.447 115.419 115.700 0.277 0.000 2.596 205 S HA 0.812 5.283 4.470 0.002 0.000 0.270 205 S C 0.791 175.488 174.600 0.162 0.000 1.155 205 S CA -0.335 57.971 58.200 0.177 0.000 0.827 205 S CB 1.007 64.287 63.200 0.133 0.000 1.130 205 S HN 0.473 nan 8.310 nan 0.000 0.467 206 A N 0.715 123.600 122.820 0.109 0.000 1.972 206 A HA -0.081 4.240 4.320 0.002 0.000 0.219 206 A C 2.098 179.643 177.584 -0.066 0.000 1.169 206 A CA 2.167 54.243 52.037 0.064 0.000 0.635 206 A CB -1.118 17.986 19.000 0.174 0.000 0.810 206 A HN 0.905 nan 8.150 nan 0.000 0.446 207 Q N 0.412 120.261 119.800 0.081 0.000 2.124 207 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 207 Q C 1.733 177.731 176.000 -0.003 0.000 0.977 207 Q CA 2.266 58.087 55.803 0.030 0.000 0.850 207 Q CB -0.400 28.449 28.738 0.186 0.000 0.901 207 Q HN 0.748 nan 8.270 nan 0.000 0.429 208 E N -0.500 119.741 120.200 0.068 0.000 2.106 208 E HA -0.149 4.202 4.350 0.002 0.000 0.192 208 E C 2.042 178.757 176.600 0.192 0.000 0.984 208 E CA 1.285 57.749 56.400 0.107 0.000 0.806 208 E CB -0.155 29.658 29.700 0.187 0.000 0.750 208 E HN 0.465 nan 8.360 nan 0.000 0.458 209 M N 0.040 119.720 119.600 0.132 0.000 2.108 209 M HA -0.163 4.318 4.480 0.002 0.000 0.261 209 M C 2.197 178.527 176.300 0.050 0.000 1.066 209 M CA 1.464 56.797 55.300 0.056 0.000 1.107 209 M CB -0.343 32.080 32.600 -0.296 0.000 1.356 209 M HN 0.129 nan 8.290 nan 0.000 0.406 210 F N 0.997 120.739 119.950 -0.347 0.000 2.126 210 F HA -0.245 4.283 4.527 0.002 0.000 0.299 210 F C 2.272 177.966 175.800 -0.176 0.000 1.096 210 F CA 1.737 59.483 58.000 -0.423 0.000 1.255 210 F CB -0.149 38.276 39.000 -0.957 0.000 0.997 210 F HN 0.056 nan 8.300 nan 0.000 0.479 211 T N -0.504 113.901 114.554 -0.248 0.000 2.746 211 T HA -0.245 4.106 4.350 0.002 0.000 0.267 211 T C 1.554 176.094 174.700 -0.267 0.000 1.039 211 T CA 1.859 63.762 62.100 -0.328 0.000 1.142 211 T CB -0.751 67.959 68.868 -0.264 0.000 0.866 211 T HN 0.376 nan 8.240 nan 0.000 0.444 212 Y N 0.715 120.966 120.300 -0.082 0.000 2.224 212 Y HA -0.001 4.550 4.550 0.002 0.000 0.289 212 Y C 2.268 178.134 175.900 -0.056 0.000 1.146 212 Y CA 0.661 58.731 58.100 -0.049 0.000 1.182 212 Y CB -0.337 38.198 38.460 0.126 0.000 0.983 212 Y HN 0.159 nan 8.280 nan 0.000 0.524 213 I N -1.525 119.134 120.570 0.148 0.000 2.315 213 I HA -0.339 3.832 4.170 0.002 0.000 0.248 213 I C 2.238 178.296 176.117 -0.098 0.000 1.117 213 I CA 0.794 62.121 61.300 0.045 0.000 1.404 213 I CB -0.406 37.607 38.000 0.023 0.000 1.071 213 I HN 0.317 nan 8.210 nan 0.000 0.419 214 C N 0.694 119.810 119.300 -0.306 0.000 2.429 214 C HA -0.122 4.339 4.460 0.002 0.000 0.277 214 C C 2.605 177.495 174.990 -0.168 0.000 1.262 214 C CA 0.805 59.637 59.018 -0.311 0.000 1.733 214 C CB -1.335 26.096 27.740 -0.517 0.000 2.010 214 C HN 0.544 nan 8.230 nan 0.000 0.483 215 N N -0.163 118.426 118.700 -0.185 0.000 2.244 215 N HA -0.126 4.615 4.740 0.002 0.000 0.183 215 N C 1.415 176.815 175.510 -0.183 0.000 1.016 215 N CA 1.276 54.209 53.050 -0.195 0.000 0.866 215 N CB -0.724 37.590 38.487 -0.287 0.000 0.980 215 N HN 0.753 nan 8.380 nan 0.000 0.430 216 H N 0.769 119.688 119.070 -0.251 0.000 2.293 216 H HA 0.067 4.624 4.556 0.002 0.000 0.300 216 H C 2.140 177.486 175.328 0.030 0.000 1.082 216 H CA 1.596 57.558 56.048 -0.143 0.000 1.308 216 H CB -0.076 29.662 29.762 -0.041 0.000 1.375 216 H HN 0.060 nan 8.280 nan 0.000 0.495 217 I N 0.727 121.447 120.570 0.250 0.000 2.208 217 I HA -0.291 3.880 4.170 0.002 0.000 0.245 217 I C 2.362 178.549 176.117 0.117 0.000 1.097 217 I CA 1.507 62.917 61.300 0.182 0.000 1.363 217 I CB -0.272 37.764 38.000 0.061 0.000 1.051 217 I HN 0.346 nan 8.210 nan 0.000 0.413 218 K N -0.082 120.354 120.400 0.060 0.000 2.057 218 K HA -0.234 4.087 4.320 0.002 0.000 0.207 218 K C 2.229 178.869 176.600 0.065 0.000 1.049 218 K CA 1.728 58.040 56.287 0.041 0.000 0.931 218 K CB -0.454 32.051 32.500 0.008 0.000 0.714 218 K HN 0.284 nan 8.250 nan 0.000 0.440 219 Y N 1.576 121.871 120.300 -0.008 0.000 2.114 219 Y HA -0.252 4.299 4.550 0.002 0.000 0.284 219 Y C 2.301 178.243 175.900 0.071 0.000 1.143 219 Y CA 1.647 59.772 58.100 0.041 0.000 1.135 219 Y CB -0.333 38.180 38.460 0.088 0.000 0.980 219 Y HN 0.047 nan 8.280 nan 0.000 0.499 220 A N -0.760 122.181 122.820 0.202 0.000 1.902 220 A HA -0.157 4.164 4.320 0.002 0.000 0.217 220 A C 2.199 179.829 177.584 0.077 0.000 1.181 220 A CA 2.206 54.336 52.037 0.154 0.000 0.623 220 A CB -1.288 17.858 19.000 0.243 0.000 0.818 220 A HN 0.526 nan 8.150 nan 0.000 0.443 221 T N -0.494 114.106 114.554 0.077 0.000 2.737 221 T HA -0.106 4.245 4.350 0.002 0.000 0.265 221 T C 1.030 175.732 174.700 0.004 0.000 1.038 221 T CA 1.020 63.158 62.100 0.064 0.000 1.144 221 T CB -0.506 68.400 68.868 0.064 0.000 0.866 221 T HN 0.736 nan 8.240 nan 0.000 0.434 222 N N 0.773 119.445 118.700 -0.047 0.000 2.716 222 N HA -0.277 4.464 4.740 0.002 0.000 0.250 222 N C -0.589 174.892 175.510 -0.048 0.000 1.033 222 N CA 0.197 53.196 53.050 -0.085 0.000 0.727 222 N CB -0.518 37.879 38.487 -0.151 0.000 0.950 222 N HN 0.413 nan 8.380 nan 0.000 0.541 223 R N -2.359 118.126 120.500 -0.025 0.000 3.758 223 R HA -0.248 4.093 4.340 0.002 0.000 0.299 223 R C 1.208 177.494 176.300 -0.023 0.000 1.182 223 R CA 1.148 57.235 56.100 -0.022 0.000 0.809 223 R CB -2.065 28.218 30.300 -0.027 0.000 1.249 223 R HN 0.808 nan 8.270 nan 0.000 0.497 224 G N -0.592 108.203 108.800 -0.009 0.000 2.259 224 G HA2 -0.314 3.647 3.960 0.002 0.000 0.217 224 G HA3 -0.314 3.647 3.960 0.002 0.000 0.217 224 G C -0.075 174.816 174.900 -0.015 0.000 1.001 224 G CA 0.002 45.099 45.100 -0.006 0.000 0.627 224 G HN 0.339 nan 8.290 nan 0.000 0.501 225 N N 1.468 120.145 118.700 -0.038 0.000 3.188 225 N HA 0.467 5.208 4.740 0.002 0.000 0.279 225 N C 0.423 175.904 175.510 -0.049 0.000 1.213 225 N CA -0.435 52.574 53.050 -0.068 0.000 1.138 225 N CB -0.315 38.128 38.487 -0.074 0.000 1.417 225 N HN 0.237 nan 8.380 nan 0.000 0.526 226 L N 1.807 123.030 121.223 -0.000 0.000 2.543 226 L HA 0.071 4.412 4.340 0.002 0.000 0.285 226 L C 0.892 177.877 176.870 0.191 0.000 1.236 226 L CA 1.001 55.914 54.840 0.122 0.000 0.871 226 L CB 0.180 42.406 42.059 0.278 0.000 1.121 226 L HN 0.301 nan 8.230 nan 0.000 0.501 227 R N 1.368 121.991 120.500 0.205 0.000 2.575 227 R HA 0.426 4.767 4.340 0.002 0.000 0.293 227 R C -0.650 175.828 176.300 0.296 0.000 0.983 227 R CA -0.686 55.561 56.100 0.245 0.000 0.887 227 R CB 1.726 32.034 30.300 0.012 0.000 1.184 227 R HN 0.578 nan 8.270 nan 0.000 0.445 228 S N 1.500 117.379 115.700 0.298 0.000 2.549 228 S HA 0.423 4.894 4.470 0.002 0.000 0.286 228 S C -0.234 174.435 174.600 0.115 0.000 1.314 228 S CA -0.120 58.148 58.200 0.115 0.000 1.062 228 S CB 1.100 64.316 63.200 0.026 0.000 0.865 228 S HN 0.692 nan 8.310 nan 0.000 0.498 229 A N 2.751 125.600 122.820 0.048 0.000 2.612 229 A HA 0.821 5.142 4.320 0.002 0.000 0.293 229 A C -1.253 176.392 177.584 0.103 0.000 1.075 229 A CA -0.651 51.376 52.037 -0.016 0.000 0.680 229 A CB 1.201 20.145 19.000 -0.094 0.000 1.279 229 A HN 0.796 nan 8.150 nan 0.000 0.411 230 I N 0.453 121.077 120.570 0.090 0.000 2.722 230 I HA 0.644 4.816 4.170 0.002 0.000 0.295 230 I C -1.149 175.094 176.117 0.211 0.000 1.161 230 I CA -0.122 61.332 61.300 0.257 0.000 1.032 230 I CB 2.425 40.517 38.000 0.155 0.000 1.244 230 I HN 0.614 nan 8.210 nan 0.000 0.421 231 T N 6.170 120.874 114.554 0.249 0.000 2.792 231 T HA 0.486 4.837 4.350 0.002 0.000 0.280 231 T C -0.832 173.686 174.700 -0.304 0.000 0.990 231 T CA -0.376 61.723 62.100 -0.002 0.000 0.960 231 T CB 1.665 70.532 68.868 -0.002 0.000 0.939 231 T HN 0.262 nan 8.240 nan 0.000 0.439 232 V N 4.907 124.542 119.914 -0.465 0.000 2.357 232 V HA 0.491 4.612 4.120 0.002 0.000 0.284 232 V C -0.499 175.230 176.094 -0.609 0.000 1.018 232 V CA -0.810 61.212 62.300 -0.464 0.000 0.841 232 V CB 0.234 31.760 31.823 -0.495 0.000 0.991 232 V HN 0.724 nan 8.190 nan 0.000 0.437 233 F N 5.058 124.932 119.950 -0.127 0.000 2.362 233 F HA 0.511 5.039 4.527 0.002 0.000 0.311 233 F C -1.818 173.901 175.800 -0.135 0.000 1.161 233 F CA -2.472 55.395 58.000 -0.222 0.000 1.085 233 F CB 0.206 39.088 39.000 -0.197 0.000 1.311 233 F HN 0.293 nan 8.300 nan 0.000 0.524 234 P HA -0.032 nan 4.420 nan 0.000 0.263 234 P C -0.967 176.359 177.300 0.043 0.000 1.175 234 P CA -0.049 62.972 63.100 -0.131 0.000 0.761 234 P CB 0.183 31.612 31.700 -0.452 0.000 0.794 235 Q N 3.518 123.294 119.800 -0.041 0.000 2.492 235 Q HA 0.139 4.481 4.340 0.002 0.000 0.238 235 Q C -0.242 175.652 176.000 -0.177 0.000 1.045 235 Q CA -0.289 55.252 55.803 -0.438 0.000 0.934 235 Q CB 0.540 28.749 28.738 -0.881 0.000 1.276 235 Q HN 0.346 nan 8.270 nan 0.000 0.521 236 R N 0.027 120.398 120.500 -0.215 0.000 2.643 236 R HA 0.439 4.781 4.340 0.002 0.000 0.270 236 R C -0.651 175.590 176.300 -0.098 0.000 1.061 236 R CA 0.306 56.356 56.100 -0.085 0.000 1.107 236 R CB 0.647 30.890 30.300 -0.095 0.000 0.999 236 R HN 0.721 nan 8.270 nan 0.000 0.460 237 A N 3.650 126.454 122.820 -0.027 0.000 2.414 237 A HA 0.531 4.852 4.320 0.002 0.000 0.306 237 A C -2.472 175.105 177.584 -0.011 0.000 1.054 237 A CA -1.973 50.051 52.037 -0.021 0.000 0.724 237 A CB 1.299 20.315 19.000 0.027 0.000 1.267 237 A HN 0.426 nan 8.150 nan 0.000 0.418 238 P HA 0.248 nan 4.420 nan 0.000 0.262 238 P C 1.039 178.341 177.300 0.003 0.000 1.182 238 P CA 2.043 65.139 63.100 -0.006 0.000 0.761 238 P CB 0.491 32.189 31.700 -0.003 0.000 0.795 239 G N 1.967 110.768 108.800 0.001 0.000 2.233 239 G HA2 -0.299 3.663 3.960 0.002 0.000 0.270 239 G HA3 -0.299 3.663 3.960 0.002 0.000 0.270 239 G C 0.233 175.137 174.900 0.007 0.000 1.011 239 G CA 0.084 45.187 45.100 0.004 0.000 0.762 239 G HN 0.745 nan 8.290 nan 0.000 0.511 240 R N -0.135 120.370 120.500 0.008 0.000 2.686 240 R HA 0.577 4.918 4.340 0.002 0.000 0.283 240 R C 0.802 177.103 176.300 0.003 0.000 0.978 240 R CA -0.114 55.992 56.100 0.009 0.000 0.897 240 R CB 1.046 31.359 30.300 0.023 0.000 1.192 240 R HN 0.380 nan 8.270 nan 0.000 0.457 241 G N 1.810 110.604 108.800 -0.011 0.000 2.614 241 G HA2 0.029 3.990 3.960 0.002 0.000 0.239 241 G HA3 0.029 3.990 3.960 0.002 0.000 0.239 241 G C -0.518 174.370 174.900 -0.019 0.000 1.240 241 G CA -0.307 44.783 45.100 -0.016 0.000 0.842 241 G HN 0.593 nan 8.290 nan 0.000 0.584 242 D N -0.389 120.014 120.400 0.006 0.000 2.313 242 D HA 0.298 4.939 4.640 0.002 0.000 0.247 242 D C -0.112 176.210 176.300 0.038 0.000 1.094 242 D CA 0.047 54.082 54.000 0.059 0.000 0.925 242 D CB 0.966 41.808 40.800 0.069 0.000 1.188 242 D HN 0.103 nan 8.370 nan 0.000 0.430 243 F N 1.534 121.518 119.950 0.057 0.000 2.427 243 F HA 0.289 4.817 4.527 0.002 0.000 0.352 243 F C 1.087 176.925 175.800 0.063 0.000 1.100 243 F CA 0.183 58.212 58.000 0.048 0.000 1.191 243 F CB 0.603 39.635 39.000 0.053 0.000 1.128 243 F HN -0.167 nan 8.300 nan 0.000 0.533 244 R N 3.656 124.282 120.500 0.210 0.000 2.707 244 R HA 0.517 4.858 4.340 0.002 0.000 0.272 244 R C -1.386 175.058 176.300 0.240 0.000 1.011 244 R CA -0.897 55.334 56.100 0.218 0.000 0.893 244 R CB 2.200 32.644 30.300 0.239 0.000 1.233 244 R HN 0.603 nan 8.270 nan 0.000 0.464 245 I N 1.522 122.220 120.570 0.214 0.000 2.339 245 I HA 0.193 4.364 4.170 0.002 0.000 0.290 245 I C 0.441 176.767 176.117 0.349 0.000 0.994 245 I CA -0.418 61.005 61.300 0.205 0.000 1.191 245 I CB 1.325 39.383 38.000 0.096 0.000 1.343 245 I HN 0.529 nan 8.210 nan 0.000 0.458 246 W N 3.361 124.700 121.300 0.066 0.000 2.436 246 W HA -0.039 4.623 4.660 0.002 0.000 0.284 246 W C 0.930 177.558 176.519 0.182 0.000 1.225 246 W CA -0.028 57.425 57.345 0.181 0.000 1.271 246 W CB -0.830 28.729 29.460 0.164 0.000 1.114 246 W HN 0.403 nan 8.180 nan 0.000 0.559 247 N N 0.039 118.902 118.700 0.270 0.000 2.453 247 N HA 0.003 4.744 4.740 0.002 0.000 0.253 247 N C 1.348 176.923 175.510 0.109 0.000 1.252 247 N CA 0.901 54.032 53.050 0.136 0.000 0.917 247 N CB 0.654 39.159 38.487 0.030 0.000 1.117 247 N HN -0.095 nan 8.380 nan 0.000 0.442 248 S N 0.398 116.151 115.700 0.087 0.000 2.436 248 S HA -0.005 4.466 4.470 0.002 0.000 0.228 248 S C 0.311 174.908 174.600 -0.005 0.000 1.014 248 S CA 0.594 58.832 58.200 0.063 0.000 0.950 248 S CB 0.077 63.332 63.200 0.092 0.000 0.784 248 S HN 0.651 nan 8.310 nan 0.000 0.504 249 Q N -0.792 118.987 119.800 -0.035 0.000 2.456 249 Q HA 0.511 4.852 4.340 0.002 0.000 0.284 249 Q C 0.148 176.066 176.000 -0.138 0.000 1.061 249 Q CA -0.575 55.166 55.803 -0.104 0.000 0.799 249 Q CB 1.933 30.629 28.738 -0.070 0.000 1.445 249 Q HN 0.102 nan 8.270 nan 0.000 0.411 250 L N 0.049 121.167 121.223 -0.175 0.000 2.141 250 L HA 0.027 4.368 4.340 0.002 0.000 0.209 250 L C 0.358 177.091 176.870 -0.229 0.000 1.094 250 L CA 0.851 55.591 54.840 -0.166 0.000 0.763 250 L CB 0.156 42.116 42.059 -0.166 0.000 0.908 250 L HN 0.263 nan 8.230 nan 0.000 0.437 251 V N 0.948 120.638 119.914 -0.372 0.000 2.444 251 V HA 0.509 4.631 4.120 0.002 0.000 0.294 251 V C -0.330 175.201 176.094 -0.938 0.000 1.022 251 V CA -0.696 61.216 62.300 -0.647 0.000 0.850 251 V CB 1.648 32.981 31.823 -0.818 0.000 0.992 251 V HN 0.164 nan 8.190 nan 0.000 0.426 252 R N 2.663 122.747 120.500 -0.694 0.000 2.680 252 R HA 0.495 4.836 4.340 0.002 0.000 0.269 252 R C -1.800 174.302 176.300 -0.329 0.000 1.026 252 R CA -0.818 55.002 56.100 -0.467 0.000 0.889 252 R CB 2.116 32.320 30.300 -0.160 0.000 1.241 252 R HN 0.552 nan 8.270 nan 0.000 0.463 253 Y N 0.292 120.593 120.300 0.001 0.000 2.310 253 Y HA 0.494 5.045 4.550 0.002 0.000 0.326 253 Y C 1.028 176.906 175.900 -0.036 0.000 1.151 253 Y CA -0.688 57.430 58.100 0.030 0.000 1.195 253 Y CB 1.093 39.651 38.460 0.162 0.000 1.210 253 Y HN 0.699 nan 8.280 nan 0.000 0.483 254 A N 1.686 124.551 122.820 0.076 0.000 2.448 254 A HA 0.524 4.845 4.320 0.002 0.000 0.239 254 A C 0.606 177.978 177.584 -0.354 0.000 1.080 254 A CA 0.374 52.291 52.037 -0.202 0.000 0.779 254 A CB -0.291 18.518 19.000 -0.319 0.000 1.026 254 A HN 0.955 nan 8.150 nan 0.000 0.499 255 G N 0.259 108.803 108.800 -0.427 0.000 2.730 255 G HA2 0.548 4.509 3.960 0.002 0.000 0.291 255 G HA3 0.548 4.509 3.960 0.002 0.000 0.291 255 G C -1.141 173.568 174.900 -0.317 0.000 1.456 255 G CA -0.280 44.625 45.100 -0.325 0.000 0.996 255 G HN 0.551 nan 8.290 nan 0.000 0.528 256 Y N 2.481 122.790 120.300 0.015 0.000 2.342 256 Y HA 0.446 4.997 4.550 0.002 0.000 0.338 256 Y C 0.919 176.815 175.900 -0.005 0.000 0.965 256 Y CA -1.294 56.815 58.100 0.015 0.000 1.159 256 Y CB 1.267 39.733 38.460 0.009 0.000 1.157 256 Y HN 0.168 nan 8.280 nan 0.000 0.486 257 R N 3.399 123.983 120.500 0.140 0.000 2.489 257 R HA 0.117 4.458 4.340 0.002 0.000 0.287 257 R C -0.085 176.255 176.300 0.067 0.000 1.053 257 R CA -0.024 56.121 56.100 0.075 0.000 1.036 257 R CB 0.508 30.840 30.300 0.053 0.000 0.966 257 R HN 0.728 nan 8.270 nan 0.000 0.432 258 Q N 2.047 121.872 119.800 0.043 0.000 2.194 258 Q HA 0.144 4.485 4.340 0.002 0.000 0.245 258 Q C 1.340 177.348 176.000 0.013 0.000 0.993 258 Q CA -0.611 55.206 55.803 0.023 0.000 0.930 258 Q CB 0.916 29.664 28.738 0.017 0.000 1.238 258 Q HN 0.456 nan 8.270 nan 0.000 0.486 259 Q N 0.872 120.674 119.800 0.003 0.000 1.998 259 Q HA -0.221 4.120 4.340 0.002 0.000 0.209 259 Q C 0.986 176.989 176.000 0.004 0.000 1.002 259 Q CA 1.968 57.771 55.803 0.001 0.000 0.858 259 Q CB -0.221 28.514 28.738 -0.005 0.000 0.932 259 Q HN 0.654 nan 8.270 nan 0.000 0.416 260 D N -0.566 119.836 120.400 0.003 0.000 2.407 260 D HA -0.064 4.577 4.640 0.002 0.000 0.234 260 D C 1.052 177.357 176.300 0.008 0.000 1.029 260 D CA 1.009 55.012 54.000 0.004 0.000 0.937 260 D CB -0.194 40.608 40.800 0.003 0.000 0.882 260 D HN 0.573 nan 8.370 nan 0.000 0.531 261 G N 0.765 109.571 108.800 0.010 0.000 2.179 261 G HA2 -0.320 3.641 3.960 0.002 0.000 0.260 261 G HA3 -0.320 3.641 3.960 0.002 0.000 0.260 261 G C 0.462 175.370 174.900 0.013 0.000 0.977 261 G CA 0.514 45.622 45.100 0.013 0.000 0.641 261 G HN 0.731 nan 8.290 nan 0.000 0.533 262 S N -1.076 114.631 115.700 0.012 0.000 2.645 262 S HA 0.763 5.235 4.470 0.002 0.000 0.266 262 S C 0.038 174.644 174.600 0.010 0.000 1.258 262 S CA -0.117 58.089 58.200 0.009 0.000 0.990 262 S CB 2.542 65.746 63.200 0.007 0.000 0.967 262 S HN 1.063 nan 8.310 nan 0.000 0.556 263 V N 1.251 121.163 119.914 -0.004 0.000 2.604 263 V HA 0.549 4.671 4.120 0.002 0.000 0.305 263 V C 0.029 176.108 176.094 -0.025 0.000 1.043 263 V CA -0.857 61.437 62.300 -0.010 0.000 0.888 263 V CB 1.619 33.417 31.823 -0.043 0.000 0.995 263 V HN 0.958 nan 8.190 nan 0.000 0.429 264 R N 2.636 123.150 120.500 0.024 0.000 2.294 264 R HA 0.672 5.014 4.340 0.002 0.000 0.319 264 R C 0.518 176.801 176.300 -0.027 0.000 0.984 264 R CA 0.907 57.025 56.100 0.029 0.000 0.861 264 R CB 1.054 31.428 30.300 0.124 0.000 1.104 264 R HN 1.200 nan 8.270 nan 0.000 0.451 265 G N 2.896 111.598 108.800 -0.164 0.000 2.466 265 G HA2 -0.245 3.716 3.960 0.002 0.000 0.218 265 G HA3 -0.245 3.716 3.960 0.002 0.000 0.218 265 G C -1.322 173.241 174.900 -0.562 0.000 1.237 265 G CA -0.153 44.783 45.100 -0.272 0.000 0.954 265 G HN 0.636 nan 8.290 nan 0.000 0.580 266 D N 1.471 121.648 120.400 -0.372 0.000 2.347 266 D HA 0.552 5.193 4.640 0.002 0.000 0.235 266 D C -0.981 175.207 176.300 -0.187 0.000 1.149 266 D CA -1.960 51.823 54.000 -0.361 0.000 0.850 266 D CB 1.456 42.335 40.800 0.131 0.000 1.061 266 D HN -0.011 nan 8.370 nan 0.000 0.487 267 P HA -0.086 nan 4.420 nan 0.000 0.219 267 P C 0.859 178.154 177.300 -0.007 0.000 1.146 267 P CA 0.907 63.959 63.100 -0.079 0.000 0.808 267 P CB 0.268 31.931 31.700 -0.061 0.000 0.779 268 A N -0.569 122.263 122.820 0.020 0.000 2.121 268 A HA -0.109 4.212 4.320 0.002 0.000 0.218 268 A C 1.538 179.163 177.584 0.068 0.000 1.154 268 A CA 1.279 53.360 52.037 0.073 0.000 0.679 268 A CB -0.836 18.228 19.000 0.107 0.000 0.795 268 A HN 0.152 nan 8.150 nan 0.000 0.458 269 N N -0.467 118.254 118.700 0.036 0.000 2.234 269 N HA 0.146 4.887 4.740 0.002 0.000 0.227 269 N C 1.045 176.540 175.510 -0.025 0.000 1.151 269 N CA 0.144 53.204 53.050 0.016 0.000 0.865 269 N CB 0.666 39.163 38.487 0.016 0.000 1.066 269 N HN 0.187 nan 8.380 nan 0.000 0.515 270 V N 0.941 120.845 119.914 -0.018 0.000 2.295 270 V HA -0.231 3.890 4.120 0.002 0.000 0.246 270 V C 2.421 178.502 176.094 -0.022 0.000 1.049 270 V CA 1.761 64.049 62.300 -0.021 0.000 1.024 270 V CB -0.259 31.563 31.823 -0.000 0.000 0.648 270 V HN 0.372 nan 8.190 nan 0.000 0.447 271 E N -0.328 119.860 120.200 -0.020 0.000 2.031 271 E HA -0.267 4.084 4.350 0.002 0.000 0.193 271 E C 2.148 178.640 176.600 -0.179 0.000 0.994 271 E CA 1.785 58.139 56.400 -0.075 0.000 0.800 271 E CB -0.173 29.515 29.700 -0.020 0.000 0.752 271 E HN 0.488 nan 8.360 nan 0.000 0.447 272 I N 0.725 121.201 120.570 -0.156 0.000 2.315 272 I HA -0.211 3.960 4.170 0.002 0.000 0.248 272 I C 2.064 178.114 176.117 -0.113 0.000 1.117 272 I CA 1.517 62.706 61.300 -0.186 0.000 1.404 272 I CB -0.373 37.575 38.000 -0.087 0.000 1.071 272 I HN 0.085 nan 8.210 nan 0.000 0.419 273 T N 0.336 114.849 114.554 -0.067 0.000 2.746 273 T HA -0.194 4.157 4.350 0.002 0.000 0.267 273 T C 1.742 176.500 174.700 0.097 0.000 1.039 273 T CA 1.884 63.987 62.100 0.005 0.000 1.142 273 T CB -0.283 68.574 68.868 -0.018 0.000 0.866 273 T HN 0.476 nan 8.240 nan 0.000 0.444 274 E N 0.642 120.867 120.200 0.042 0.000 2.106 274 E HA -0.023 4.328 4.350 0.002 0.000 0.192 274 E C 2.225 178.847 176.600 0.038 0.000 0.984 274 E CA 0.730 57.161 56.400 0.052 0.000 0.806 274 E CB -0.266 29.439 29.700 0.009 0.000 0.750 274 E HN 0.403 nan 8.360 nan 0.000 0.458 275 L N 0.317 121.527 121.223 -0.022 0.000 2.046 275 L HA -0.230 4.111 4.340 0.002 0.000 0.208 275 L C 2.560 179.526 176.870 0.159 0.000 1.077 275 L CA 0.780 55.646 54.840 0.044 0.000 0.747 275 L CB -0.393 41.622 42.059 -0.073 0.000 0.896 275 L HN 0.323 nan 8.230 nan 0.000 0.432 276 C N -0.105 119.240 119.300 0.076 0.000 2.429 276 C HA -0.156 4.306 4.460 0.002 0.000 0.277 276 C C 2.727 177.875 174.990 0.264 0.000 1.262 276 C CA 0.524 59.596 59.018 0.090 0.000 1.733 276 C CB -0.648 27.039 27.740 -0.088 0.000 2.010 276 C HN 0.422 nan 8.230 nan 0.000 0.483 277 I N 0.354 121.100 120.570 0.293 0.000 2.202 277 I HA -0.255 3.916 4.170 0.002 0.000 0.242 277 I C 2.792 178.971 176.117 0.103 0.000 1.091 277 I CA 1.583 63.027 61.300 0.239 0.000 1.368 277 I CB -0.714 37.397 38.000 0.184 0.000 1.058 277 I HN 0.442 nan 8.210 nan 0.000 0.410 278 Q N 0.440 120.270 119.800 0.050 0.000 2.297 278 Q HA -0.220 4.121 4.340 0.002 0.000 0.208 278 Q C 1.217 177.093 176.000 -0.206 0.000 0.981 278 Q CA 1.314 57.071 55.803 -0.077 0.000 0.876 278 Q CB 0.017 28.691 28.738 -0.107 0.000 0.921 278 Q HN 0.604 nan 8.270 nan 0.000 0.446 279 H N -1.554 117.503 119.070 -0.021 0.000 2.507 279 H HA 0.194 4.751 4.556 0.002 0.000 0.294 279 H C 0.695 175.998 175.328 -0.042 0.000 1.064 279 H CA 0.636 56.645 56.048 -0.065 0.000 1.138 279 H CB 0.867 30.547 29.762 -0.137 0.000 1.515 279 H HN 0.507 nan 8.280 nan 0.000 0.547 280 G N 0.857 109.690 108.800 0.055 0.000 2.157 280 G HA2 -0.246 3.715 3.960 0.002 0.000 0.239 280 G HA3 -0.246 3.715 3.960 0.002 0.000 0.239 280 G C -0.099 174.871 174.900 0.117 0.000 0.982 280 G CA 0.020 45.148 45.100 0.046 0.000 0.650 280 G HN 0.406 nan 8.290 nan 0.000 0.527 281 W N 2.149 123.428 121.300 -0.036 0.000 2.238 281 W HA 0.649 5.310 4.660 0.002 0.000 0.321 281 W C 0.248 176.757 176.519 -0.015 0.000 1.293 281 W CA 0.115 57.443 57.345 -0.030 0.000 1.204 281 W CB 0.878 30.332 29.460 -0.011 0.000 1.167 281 W HN 0.045 nan 8.180 nan 0.000 0.553 282 T N 9.456 123.704 114.554 -0.510 0.000 2.727 282 T HA 0.212 4.563 4.350 0.002 0.000 0.298 282 T C -2.063 171.908 174.700 -1.215 0.000 0.942 282 T CA -0.925 60.824 62.100 -0.585 0.000 0.997 282 T CB 0.557 69.215 68.868 -0.350 0.000 0.917 282 T HN 0.241 nan 8.240 nan 0.000 0.487 283 P HA 0.279 nan 4.420 nan 0.000 0.272 283 P C 0.371 177.244 177.300 -0.713 0.000 1.230 283 P CA -0.254 62.133 63.100 -1.188 0.000 0.788 283 P CB 0.860 32.258 31.700 -0.503 0.000 0.949 284 G N 0.971 109.505 108.800 -0.443 0.000 2.606 284 G HA2 0.352 4.313 3.960 0.002 0.000 0.262 284 G HA3 0.352 4.313 3.960 0.002 0.000 0.262 284 G C 0.155 174.787 174.900 -0.447 0.000 1.394 284 G CA -0.538 44.433 45.100 -0.214 0.000 1.044 284 G HN 0.683 nan 8.290 nan 0.000 0.553 285 N N -1.305 117.240 118.700 -0.260 0.000 2.286 285 N HA 0.215 4.956 4.740 0.002 0.000 0.245 285 N C 0.358 175.848 175.510 -0.035 0.000 1.363 285 N CA 0.119 52.947 53.050 -0.369 0.000 0.822 285 N CB 0.295 38.606 38.487 -0.293 0.000 1.345 285 N HN 0.685 nan 8.380 nan 0.000 0.494 286 G N 0.011 108.899 108.800 0.145 0.000 2.535 286 G HA2 0.345 4.306 3.960 0.002 0.000 0.303 286 G HA3 0.345 4.306 3.960 0.002 0.000 0.303 286 G C 0.431 175.409 174.900 0.130 0.000 1.237 286 G CA -0.672 44.510 45.100 0.135 0.000 0.986 286 G HN 0.105 nan 8.290 nan 0.000 0.494 287 R N -1.293 119.174 120.500 -0.055 0.000 2.210 287 R HA 0.134 4.475 4.340 0.002 0.000 0.203 287 R C -0.056 175.790 176.300 -0.757 0.000 1.010 287 R CA 0.568 56.449 56.100 -0.364 0.000 1.008 287 R CB 0.126 30.107 30.300 -0.531 0.000 0.923 287 R HN 0.439 nan 8.270 nan 0.000 0.469 288 F N 0.784 120.658 119.950 -0.126 0.000 2.623 288 F HA 0.249 4.777 4.527 0.002 0.000 0.361 288 F C -0.728 174.950 175.800 -0.203 0.000 1.469 288 F CA -0.979 56.648 58.000 -0.622 0.000 1.126 288 F CB 0.764 39.282 39.000 -0.804 0.000 1.221 288 F HN -0.312 nan 8.300 nan 0.000 0.536 289 D N 1.704 122.226 120.400 0.203 0.000 2.316 289 D HA 0.198 4.840 4.640 0.002 0.000 0.245 289 D C 0.189 176.739 176.300 0.417 0.000 1.171 289 D CA 0.084 54.292 54.000 0.348 0.000 0.856 289 D CB 2.273 43.336 40.800 0.439 0.000 1.090 289 D HN -0.063 nan 8.370 nan 0.000 0.476 290 V N 3.724 123.860 119.914 0.369 0.000 2.529 290 V HA -0.013 4.109 4.120 0.002 0.000 0.292 290 V C 1.030 177.137 176.094 0.021 0.000 1.028 290 V CA -0.223 62.181 62.300 0.174 0.000 1.074 290 V CB 0.256 32.132 31.823 0.088 0.000 0.958 290 V HN 0.348 nan 8.190 nan 0.000 0.481 291 L N 8.238 129.372 121.223 -0.147 0.000 2.452 291 L HA 0.341 4.682 4.340 0.002 0.000 0.267 291 L C -1.640 174.979 176.870 -0.419 0.000 1.188 291 L CA -1.303 53.294 54.840 -0.405 0.000 0.821 291 L CB 0.991 42.846 42.059 -0.340 0.000 1.102 291 L HN 0.502 nan 8.230 nan 0.000 0.470 292 P HA 0.244 nan 4.420 nan 0.000 0.278 292 P C -1.151 175.976 177.300 -0.287 0.000 1.266 292 P CA -0.568 62.270 63.100 -0.436 0.000 0.807 292 P CB 1.035 32.350 31.700 -0.640 0.000 1.094 293 L N 0.815 121.957 121.223 -0.135 0.000 2.312 293 L HA 0.391 4.732 4.340 0.002 0.000 0.281 293 L C 0.495 177.331 176.870 -0.058 0.000 1.070 293 L CA -0.705 54.105 54.840 -0.050 0.000 0.805 293 L CB 0.536 42.638 42.059 0.072 0.000 1.174 293 L HN 0.217 nan 8.230 nan 0.000 0.434 294 L N 5.198 126.372 121.223 -0.083 0.000 2.283 294 L HA 0.466 4.807 4.340 0.002 0.000 0.281 294 L C -0.664 176.106 176.870 -0.166 0.000 1.033 294 L CA -0.277 54.432 54.840 -0.219 0.000 0.848 294 L CB 0.954 42.814 42.059 -0.331 0.000 1.226 294 L HN 0.470 nan 8.230 nan 0.000 0.429 295 L N 4.014 125.183 121.223 -0.090 0.000 2.317 295 L HA 0.519 4.860 4.340 0.002 0.000 0.281 295 L C -0.298 176.502 176.870 -0.118 0.000 1.024 295 L CA -0.435 54.375 54.840 -0.049 0.000 0.810 295 L CB 1.831 43.882 42.059 -0.013 0.000 1.240 295 L HN 0.546 nan 8.230 nan 0.000 0.427 296 Q N 2.437 122.199 119.800 -0.063 0.000 2.325 296 Q HA 0.678 5.019 4.340 0.002 0.000 0.270 296 Q C -1.083 174.856 176.000 -0.103 0.000 1.020 296 Q CA -0.556 55.206 55.803 -0.069 0.000 0.785 296 Q CB 2.144 30.931 28.738 0.082 0.000 1.259 296 Q HN 0.795 nan 8.270 nan 0.000 0.452 297 A N 4.845 127.551 122.820 -0.190 0.000 2.271 297 A HA 0.649 4.970 4.320 0.002 0.000 0.288 297 A C -2.411 174.904 177.584 -0.449 0.000 1.094 297 A CA -1.630 50.124 52.037 -0.471 0.000 0.828 297 A CB 0.078 18.914 19.000 -0.273 0.000 1.091 297 A HN 0.642 nan 8.150 nan 0.000 0.493 298 P HA 0.038 nan 4.420 nan 0.000 0.260 298 P C -0.647 176.558 177.300 -0.158 0.000 1.172 298 P CA 0.798 63.694 63.100 -0.339 0.000 0.760 298 P CB 0.099 31.606 31.700 -0.322 0.000 0.773 299 D N 0.320 120.672 120.400 -0.079 0.000 2.911 299 D HA -0.190 4.451 4.640 0.002 0.000 0.227 299 D C -0.140 176.146 176.300 -0.022 0.000 1.164 299 D CA 1.321 55.304 54.000 -0.029 0.000 0.782 299 D CB -0.777 40.009 40.800 -0.024 0.000 1.094 299 D HN 0.571 nan 8.370 nan 0.000 0.425 300 E N -0.793 119.386 120.200 -0.035 0.000 2.359 300 E HA 0.689 5.040 4.350 0.002 0.000 0.266 300 E C -0.174 176.413 176.600 -0.023 0.000 0.920 300 E CA -0.875 55.507 56.400 -0.030 0.000 0.788 300 E CB 1.627 31.295 29.700 -0.054 0.000 1.279 300 E HN 0.122 nan 8.360 nan 0.000 0.438 301 A N 2.256 125.060 122.820 -0.028 0.000 2.386 301 A HA 0.366 4.687 4.320 0.002 0.000 0.248 301 A C -2.112 175.355 177.584 -0.195 0.000 1.082 301 A CA -1.008 50.996 52.037 -0.055 0.000 0.789 301 A CB -0.335 18.665 19.000 -0.001 0.000 1.025 301 A HN 0.324 nan 8.150 nan 0.000 0.490 302 P HA 0.213 nan 4.420 nan 0.000 0.272 302 P C -0.702 176.323 177.300 -0.459 0.000 1.223 302 P CA 0.095 62.813 63.100 -0.637 0.000 0.784 302 P CB 0.741 31.587 31.700 -1.423 0.000 0.923 303 E N 0.627 120.644 120.200 -0.305 0.000 2.207 303 E HA 0.463 4.814 4.350 0.002 0.000 0.270 303 E C -0.813 175.540 176.600 -0.412 0.000 0.927 303 E CA -1.058 55.158 56.400 -0.306 0.000 0.799 303 E CB 1.594 31.188 29.700 -0.178 0.000 1.172 303 E HN 0.281 nan 8.360 nan 0.000 0.404 304 L N 2.880 123.738 121.223 -0.608 0.000 2.289 304 L HA 0.467 4.808 4.340 0.002 0.000 0.285 304 L C -1.617 174.676 176.870 -0.962 0.000 1.049 304 L CA 0.015 54.525 54.840 -0.551 0.000 0.804 304 L CB 0.257 42.120 42.059 -0.327 0.000 1.195 304 L HN 0.406 nan 8.230 nan 0.000 0.428 305 F N 4.013 123.721 119.950 -0.403 0.000 2.561 305 F HA 0.496 5.024 4.527 0.002 0.000 0.313 305 F C -0.308 175.224 175.800 -0.447 0.000 1.126 305 F CA -0.884 56.724 58.000 -0.653 0.000 0.918 305 F CB 1.838 40.013 39.000 -1.376 0.000 1.199 305 F HN 0.019 nan 8.300 nan 0.000 0.444 306 V N 4.477 124.295 119.914 -0.161 0.000 2.465 306 V HA 0.305 4.427 4.120 0.002 0.000 0.279 306 V C 0.163 176.344 176.094 0.145 0.000 1.045 306 V CA -0.745 61.550 62.300 -0.008 0.000 0.938 306 V CB 1.542 33.404 31.823 0.064 0.000 0.986 306 V HN 0.545 nan 8.190 nan 0.000 0.467 307 L N 6.986 128.311 121.223 0.171 0.000 2.367 307 L HA 0.297 4.639 4.340 0.002 0.000 0.275 307 L C -2.135 174.840 176.870 0.176 0.000 1.129 307 L CA -1.508 53.476 54.840 0.240 0.000 0.839 307 L CB 0.759 42.896 42.059 0.130 0.000 1.133 307 L HN 0.443 nan 8.230 nan 0.000 0.453 308 P HA 0.060 nan 4.420 nan 0.000 0.266 308 P C -2.007 175.345 177.300 0.087 0.000 1.215 308 P CA -0.899 62.273 63.100 0.122 0.000 0.763 308 P CB 0.431 32.191 31.700 0.100 0.000 0.806 309 P HA -0.256 nan 4.420 nan 0.000 0.217 309 P C 1.361 178.694 177.300 0.056 0.000 1.151 309 P CA 1.481 64.625 63.100 0.074 0.000 0.849 309 P CB -0.157 31.589 31.700 0.076 0.000 0.787 310 E N -0.680 119.548 120.200 0.048 0.000 2.333 310 E HA -0.135 4.216 4.350 0.002 0.000 0.198 310 E C 1.453 178.070 176.600 0.028 0.000 1.007 310 E CA 1.077 57.498 56.400 0.034 0.000 0.845 310 E CB -1.008 28.710 29.700 0.029 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.507 311 L N 0.662 121.903 121.223 0.030 0.000 2.446 311 L HA 0.063 4.405 4.340 0.002 0.000 0.219 311 L C 0.779 177.664 176.870 0.026 0.000 1.116 311 L CA 0.418 55.271 54.840 0.021 0.000 0.844 311 L CB 0.313 42.377 42.059 0.010 0.000 0.970 311 L HN -0.129 nan 8.230 nan 0.000 0.457 312 V N 1.725 121.658 119.914 0.031 0.000 2.304 312 V HA 0.189 4.310 4.120 0.002 0.000 0.262 312 V C -0.018 176.103 176.094 0.045 0.000 1.061 312 V CA -0.739 61.579 62.300 0.030 0.000 0.872 312 V CB 0.920 32.754 31.823 0.019 0.000 1.077 312 V HN -0.002 nan 8.190 nan 0.000 0.480 313 L N 5.690 126.942 121.223 0.050 0.000 2.410 313 L HA 0.382 4.723 4.340 0.002 0.000 0.273 313 L C 0.244 177.144 176.870 0.050 0.000 1.144 313 L CA 0.847 55.709 54.840 0.037 0.000 0.863 313 L CB 0.285 42.362 42.059 0.029 0.000 1.140 313 L HN 0.647 nan 8.230 nan 0.000 0.463 314 E N 3.260 123.470 120.200 0.017 0.000 2.299 314 E HA 0.593 4.944 4.350 0.002 0.000 0.265 314 E C -1.429 175.111 176.600 -0.100 0.000 0.911 314 E CA -1.031 55.376 56.400 0.010 0.000 0.789 314 E CB 2.439 32.178 29.700 0.065 0.000 1.246 314 E HN 0.354 nan 8.360 nan 0.000 0.427 315 V N 2.837 122.651 119.914 -0.167 0.000 2.407 315 V HA 0.310 4.431 4.120 0.002 0.000 0.291 315 V C -2.439 173.571 176.094 -0.140 0.000 1.018 315 V CA -2.052 60.083 62.300 -0.276 0.000 0.842 315 V CB 1.349 32.731 31.823 -0.734 0.000 0.996 315 V HN 0.527 nan 8.190 nan 0.000 0.426 316 P HA 0.310 nan 4.420 nan 0.000 0.276 316 P C -0.680 176.615 177.300 -0.008 0.000 1.235 316 P CA -0.143 62.920 63.100 -0.062 0.000 0.772 316 P CB 0.573 32.247 31.700 -0.044 0.000 0.871 317 L N 4.103 125.356 121.223 0.051 0.000 2.276 317 L HA 0.418 4.759 4.340 0.002 0.000 0.286 317 L C 0.918 177.948 176.870 0.267 0.000 1.061 317 L CA -0.135 54.802 54.840 0.162 0.000 0.807 317 L CB 0.440 42.655 42.059 0.260 0.000 1.177 317 L HN 0.412 nan 8.230 nan 0.000 0.429 318 E N 1.887 122.210 120.200 0.205 0.000 2.433 318 E HA 0.460 4.811 4.350 0.002 0.000 0.273 318 E C -1.270 175.359 176.600 0.049 0.000 0.950 318 E CA -0.962 55.577 56.400 0.231 0.000 0.796 318 E CB 2.515 32.320 29.700 0.174 0.000 1.330 318 E HN 0.437 nan 8.360 nan 0.000 0.455 319 H N 1.492 120.456 119.070 -0.178 0.000 2.492 319 H HA 0.210 4.767 4.556 0.002 0.000 0.345 319 H C -1.864 173.187 175.328 -0.461 0.000 1.136 319 H CA -2.328 53.460 56.048 -0.434 0.000 1.202 319 H CB 2.007 31.397 29.762 -0.620 0.000 1.524 319 H HN 0.336 nan 8.280 nan 0.000 0.506 320 P HA -0.112 nan 4.420 nan 0.000 0.220 320 P C 0.898 178.037 177.300 -0.267 0.000 1.148 320 P CA 1.607 64.203 63.100 -0.840 0.000 0.803 320 P CB 0.431 31.582 31.700 -0.915 0.000 0.782 321 T N -4.804 109.779 114.554 0.049 0.000 2.966 321 T HA 0.216 4.568 4.350 0.002 0.000 0.254 321 T C 0.731 175.395 174.700 -0.060 0.000 0.961 321 T CA -0.214 61.899 62.100 0.023 0.000 0.915 321 T CB -0.556 68.331 68.868 0.031 0.000 1.186 321 T HN -0.060 nan 8.240 nan 0.000 0.505 322 L N 4.026 125.132 121.223 -0.195 0.000 2.328 322 L HA 0.375 4.717 4.340 0.002 0.000 0.280 322 L C 1.828 178.342 176.870 -0.593 0.000 1.111 322 L CA -0.723 53.724 54.840 -0.655 0.000 0.909 322 L CB 0.828 42.084 42.059 -1.338 0.000 1.277 322 L HN 0.242 nan 8.230 nan 0.000 0.433 323 E N 3.891 123.916 120.200 -0.291 0.000 2.130 323 E HA -0.261 4.091 4.350 0.002 0.000 0.196 323 E C 1.608 178.181 176.600 -0.046 0.000 0.998 323 E CA 1.675 58.015 56.400 -0.101 0.000 0.806 323 E CB -0.375 29.336 29.700 0.019 0.000 0.738 323 E HN 0.833 nan 8.360 nan 0.000 0.459 324 W N -0.251 121.099 121.300 0.082 0.000 2.699 324 W HA 0.096 4.757 4.660 0.002 0.000 0.249 324 W C 1.603 178.169 176.519 0.078 0.000 1.280 324 W CA -0.179 57.203 57.345 0.061 0.000 1.345 324 W CB -1.144 28.331 29.460 0.025 0.000 1.128 324 W HN -0.119 nan 8.180 nan 0.000 0.642 325 F N 3.010 122.739 119.950 -0.367 0.000 2.102 325 F HA -0.099 4.429 4.527 0.002 0.000 0.298 325 F C 2.717 178.541 175.800 0.040 0.000 1.105 325 F CA 3.004 60.891 58.000 -0.189 0.000 1.239 325 F CB -0.598 38.168 39.000 -0.390 0.000 0.991 325 F HN -0.085 nan 8.300 nan 0.000 0.474 326 A N 0.035 122.984 122.820 0.215 0.000 2.084 326 A HA -0.132 4.189 4.320 0.002 0.000 0.221 326 A C 2.248 179.884 177.584 0.086 0.000 1.161 326 A CA 1.566 53.697 52.037 0.158 0.000 0.653 326 A CB -1.407 17.668 19.000 0.124 0.000 0.802 326 A HN 0.464 nan 8.150 nan 0.000 0.457 327 A N -0.454 122.425 122.820 0.098 0.000 2.119 327 A HA 0.146 4.467 4.320 0.002 0.000 0.217 327 A C 1.886 179.498 177.584 0.047 0.000 1.153 327 A CA 0.921 53.009 52.037 0.085 0.000 0.692 327 A CB -0.481 18.595 19.000 0.126 0.000 0.799 327 A HN 0.492 nan 8.150 nan 0.000 0.458 328 L N -1.017 120.197 121.223 -0.015 0.000 2.362 328 L HA -0.001 4.340 4.340 0.002 0.000 0.219 328 L C 1.816 178.695 176.870 0.017 0.000 1.134 328 L CA 0.654 55.464 54.840 -0.050 0.000 0.807 328 L CB -0.652 41.262 42.059 -0.241 0.000 0.927 328 L HN 0.572 nan 8.230 nan 0.000 0.447 329 G N 0.666 109.479 108.800 0.021 0.000 2.179 329 G HA2 -0.283 3.678 3.960 0.002 0.000 0.257 329 G HA3 -0.283 3.678 3.960 0.002 0.000 0.257 329 G C 0.206 175.113 174.900 0.012 0.000 1.010 329 G CA 0.012 45.141 45.100 0.048 0.000 0.736 329 G HN 0.267 nan 8.290 nan 0.000 0.513 330 L N -0.265 120.931 121.223 -0.046 0.000 2.418 330 L HA 0.784 5.125 4.340 0.002 0.000 0.265 330 L C 1.093 177.738 176.870 -0.374 0.000 1.143 330 L CA -0.617 54.098 54.840 -0.208 0.000 0.809 330 L CB 0.871 42.928 42.059 -0.003 0.000 1.124 330 L HN 0.541 nan 8.230 nan 0.000 0.456 331 R N 1.204 121.260 120.500 -0.740 0.000 2.716 331 R HA 0.492 4.834 4.340 0.002 0.000 0.271 331 R C -2.122 174.088 176.300 -0.150 0.000 1.028 331 R CA -0.999 54.861 56.100 -0.400 0.000 0.883 331 R CB 1.842 31.874 30.300 -0.447 0.000 1.250 331 R HN 0.669 nan 8.270 nan 0.000 0.465 332 W N 1.758 122.994 121.300 -0.107 0.000 3.118 332 W HA 0.391 5.052 4.660 0.002 0.000 0.328 332 W C -1.191 175.370 176.519 0.070 0.000 1.239 332 W CA -1.019 56.334 57.345 0.014 0.000 1.176 332 W CB 2.075 31.463 29.460 -0.120 0.000 1.433 332 W HN 0.685 nan 8.180 nan 0.000 0.562 333 Y N 0.879 121.036 120.300 -0.240 0.000 2.316 333 Y HA 0.571 5.122 4.550 0.002 0.000 0.324 333 Y C 0.829 176.926 175.900 0.329 0.000 1.267 333 Y CA -0.069 58.008 58.100 -0.038 0.000 1.311 333 Y CB 0.208 38.515 38.460 -0.255 0.000 1.267 333 Y HN 0.357 nan 8.280 nan 0.000 0.516 334 A N 1.939 125.009 122.820 0.417 0.000 1.930 334 A HA 0.031 4.352 4.320 0.002 0.000 0.215 334 A C 0.561 178.503 177.584 0.596 0.000 1.176 334 A CA 0.549 52.879 52.037 0.489 0.000 0.632 334 A CB -0.358 18.777 19.000 0.226 0.000 0.819 334 A HN 0.671 nan 8.150 nan 0.000 0.445 335 L N 2.005 123.518 121.223 0.484 0.000 2.262 335 L HA 0.416 4.757 4.340 0.002 0.000 0.288 335 L C -2.527 174.486 176.870 0.238 0.000 1.035 335 L CA -2.288 52.739 54.840 0.310 0.000 0.820 335 L CB 1.494 43.668 42.059 0.192 0.000 1.204 335 L HN 0.008 nan 8.230 nan 0.000 0.424 336 P HA 0.354 nan 4.420 nan 0.000 0.293 336 P C -1.437 175.772 177.300 -0.151 0.000 1.300 336 P CA -0.455 62.496 63.100 -0.248 0.000 0.792 336 P CB 1.594 32.761 31.700 -0.889 0.000 0.925 337 A N 4.203 126.934 122.820 -0.148 0.000 2.984 337 A HA 0.347 4.668 4.320 0.002 0.000 0.320 337 A C -0.251 177.097 177.584 -0.393 0.000 1.142 337 A CA -0.580 51.299 52.037 -0.264 0.000 0.772 337 A CB 0.359 19.241 19.000 -0.197 0.000 1.195 337 A HN 0.287 nan 8.150 nan 0.000 0.459 338 V N 2.320 121.839 119.914 -0.659 0.000 2.617 338 V HA 0.144 4.265 4.120 0.002 0.000 0.304 338 V C 1.348 177.069 176.094 -0.622 0.000 1.040 338 V CA 1.598 63.490 62.300 -0.681 0.000 1.149 338 V CB 0.962 32.199 31.823 -0.977 0.000 0.914 338 V HN 1.106 nan 8.190 nan 0.000 0.487 339 S N 1.580 117.113 115.700 -0.279 0.000 2.733 339 S HA 0.071 4.542 4.470 0.002 0.000 0.247 339 S C 0.739 175.335 174.600 -0.006 0.000 1.043 339 S CA 0.060 58.181 58.200 -0.132 0.000 1.066 339 S CB -0.364 62.783 63.200 -0.087 0.000 1.045 339 S HN 0.922 nan 8.310 nan 0.000 0.586 340 N N 0.439 119.143 118.700 0.006 0.000 2.187 340 N HA 0.315 5.056 4.740 0.002 0.000 0.212 340 N C 0.116 175.694 175.510 0.113 0.000 1.152 340 N CA -0.515 52.572 53.050 0.063 0.000 0.872 340 N CB 0.147 38.666 38.487 0.052 0.000 1.025 340 N HN 0.268 nan 8.380 nan 0.000 0.514 341 M N 1.288 120.983 119.600 0.158 0.000 2.359 341 M HA 0.324 4.805 4.480 0.002 0.000 0.322 341 M C -0.569 175.887 176.300 0.259 0.000 1.166 341 M CA -0.833 54.608 55.300 0.236 0.000 1.067 341 M CB 2.343 35.132 32.600 0.314 0.000 1.523 341 M HN 0.118 nan 8.290 nan 0.000 0.467 342 L N 2.618 123.968 121.223 0.213 0.000 2.307 342 L HA 0.517 4.858 4.340 0.002 0.000 0.282 342 L C -1.319 175.643 176.870 0.155 0.000 1.051 342 L CA -0.886 54.054 54.840 0.168 0.000 0.804 342 L CB 1.132 43.241 42.059 0.084 0.000 1.197 342 L HN 0.569 nan 8.230 nan 0.000 0.431 343 L N 5.238 126.537 121.223 0.127 0.000 2.272 343 L HA 0.459 4.800 4.340 0.002 0.000 0.289 343 L C -0.552 176.304 176.870 -0.024 0.000 1.032 343 L CA 0.201 54.982 54.840 -0.099 0.000 0.810 343 L CB 1.184 43.174 42.059 -0.115 0.000 1.205 343 L HN 0.625 nan 8.230 nan 0.000 0.422 344 E N 6.581 126.691 120.200 -0.149 0.000 2.145 344 E HA 0.409 4.760 4.350 0.002 0.000 0.270 344 E C -1.614 174.891 176.600 -0.157 0.000 0.906 344 E CA -0.418 55.919 56.400 -0.105 0.000 0.761 344 E CB 1.137 30.776 29.700 -0.101 0.000 1.116 344 E HN 0.732 nan 8.360 nan 0.000 0.408 345 I N 2.595 123.079 120.570 -0.144 0.000 2.512 345 I HA 0.267 4.438 4.170 0.002 0.000 0.287 345 I C 0.789 176.677 176.117 -0.382 0.000 1.069 345 I CA -0.619 60.473 61.300 -0.346 0.000 1.056 345 I CB 2.058 39.797 38.000 -0.435 0.000 1.229 345 I HN 0.794 nan 8.210 nan 0.000 0.429 346 G N 4.167 112.763 108.800 -0.340 0.000 2.321 346 G HA2 -0.136 3.825 3.960 0.002 0.000 0.287 346 G HA3 -0.136 3.825 3.960 0.002 0.000 0.287 346 G C 1.032 175.998 174.900 0.110 0.000 1.018 346 G CA 0.792 45.891 45.100 -0.002 0.000 0.855 346 G HN 1.576 nan 8.290 nan 0.000 0.507 347 G N -2.069 106.738 108.800 0.012 0.000 2.225 347 G HA2 -0.242 3.720 3.960 0.002 0.000 0.254 347 G HA3 -0.242 3.720 3.960 0.002 0.000 0.254 347 G C 0.512 175.361 174.900 -0.085 0.000 0.988 347 G CA 0.551 45.658 45.100 0.013 0.000 0.625 347 G HN 1.301 nan 8.290 nan 0.000 0.527 348 L N 0.645 121.755 121.223 -0.188 0.000 2.375 348 L HA 0.643 4.984 4.340 0.002 0.000 0.271 348 L C 0.295 176.922 176.870 -0.404 0.000 1.107 348 L CA -0.510 54.096 54.840 -0.390 0.000 0.806 348 L CB 1.137 42.850 42.059 -0.577 0.000 1.146 348 L HN 0.177 nan 8.230 nan 0.000 0.447 349 E N 2.122 122.002 120.200 -0.535 0.000 2.191 349 E HA 0.386 4.737 4.350 0.002 0.000 0.263 349 E C -1.568 174.706 176.600 -0.544 0.000 0.881 349 E CA -0.419 55.752 56.400 -0.381 0.000 0.757 349 E CB 1.838 31.420 29.700 -0.197 0.000 1.147 349 E HN 0.258 nan 8.360 nan 0.000 0.414 350 F N 1.901 121.811 119.950 -0.066 0.000 2.308 350 F HA 0.110 4.638 4.527 0.002 0.000 0.370 350 F C 1.478 177.306 175.800 0.047 0.000 1.100 350 F CA -0.535 57.455 58.000 -0.017 0.000 1.108 350 F CB 1.252 40.221 39.000 -0.050 0.000 1.293 350 F HN 0.432 nan 8.300 nan 0.000 0.478 351 S N 1.336 117.137 115.700 0.168 0.000 2.515 351 S HA 0.232 4.703 4.470 0.002 0.000 0.231 351 S C 0.773 175.502 174.600 0.215 0.000 0.987 351 S CA 0.321 58.616 58.200 0.159 0.000 0.936 351 S CB 0.025 63.296 63.200 0.119 0.000 0.766 351 S HN 0.514 nan 8.310 nan 0.000 0.528 352 A N 0.510 123.507 122.820 0.294 0.000 2.410 352 A HA 0.828 5.149 4.320 0.002 0.000 0.289 352 A C -0.229 177.611 177.584 0.427 0.000 1.200 352 A CA -0.195 52.045 52.037 0.340 0.000 0.751 352 A CB 0.998 20.189 19.000 0.319 0.000 1.161 352 A HN 0.980 nan 8.150 nan 0.000 0.459 353 A N 4.150 127.172 122.820 0.336 0.000 3.399 353 A HA 0.625 4.946 4.320 0.002 0.000 0.262 353 A C -3.030 174.721 177.584 0.278 0.000 1.145 353 A CA -0.894 51.302 52.037 0.265 0.000 0.916 353 A CB 0.402 19.546 19.000 0.238 0.000 1.360 353 A HN 0.517 nan 8.150 nan 0.000 0.628 354 P HA 0.417 nan 4.420 nan 0.000 0.268 354 P C -0.725 176.606 177.300 0.051 0.000 1.204 354 P CA 0.443 63.534 63.100 -0.016 0.000 0.768 354 P CB 0.286 31.923 31.700 -0.105 0.000 0.842 355 F N -0.147 119.753 119.950 -0.083 0.000 2.603 355 F HA 0.790 5.318 4.527 0.002 0.000 0.317 355 F C -0.732 175.003 175.800 -0.107 0.000 1.066 355 F CA -1.187 56.770 58.000 -0.070 0.000 0.941 355 F CB 1.692 40.538 39.000 -0.255 0.000 1.291 355 F HN 0.411 nan 8.300 nan 0.000 0.472 356 S N 0.127 115.943 115.700 0.194 0.000 2.537 356 S HA 0.887 5.358 4.470 0.002 0.000 0.270 356 S C -0.717 173.872 174.600 -0.019 0.000 1.142 356 S CA -0.186 58.054 58.200 0.067 0.000 0.870 356 S CB 1.381 64.680 63.200 0.166 0.000 1.112 356 S HN 1.420 nan 8.310 nan 0.000 0.466 357 G N 0.334 109.070 108.800 -0.107 0.000 3.088 357 G HA2 0.748 4.709 3.960 0.002 0.000 0.197 357 G HA3 0.748 4.709 3.960 0.002 0.000 0.197 357 G C -1.238 173.697 174.900 0.058 0.000 1.611 357 G CA -0.228 44.738 45.100 -0.224 0.000 0.771 357 G HN 1.143 nan 8.290 nan 0.000 0.789 358 W N -1.791 119.517 121.300 0.014 0.000 3.075 358 W HA 0.788 5.449 4.660 0.002 0.000 0.334 358 W C -1.783 174.741 176.519 0.009 0.000 1.243 358 W CA -2.058 55.311 57.345 0.040 0.000 1.170 358 W CB 0.411 29.935 29.460 0.108 0.000 1.452 358 W HN 0.359 nan 8.180 nan 0.000 0.572 359 Y N 2.511 123.007 120.300 0.326 0.000 2.326 359 Y HA 0.350 4.901 4.550 0.002 0.000 0.333 359 Y C 0.819 176.785 175.900 0.109 0.000 1.240 359 Y CA -0.640 57.533 58.100 0.123 0.000 1.365 359 Y CB 1.205 39.642 38.460 -0.039 0.000 1.289 359 Y HN 0.451 nan 8.280 nan 0.000 0.548 360 M N 1.826 121.584 119.600 0.263 0.000 2.238 360 M HA 0.207 4.689 4.480 0.002 0.000 0.350 360 M C 0.986 177.289 176.300 0.006 0.000 1.138 360 M CA -0.288 55.091 55.300 0.132 0.000 1.040 360 M CB 1.198 33.851 32.600 0.088 0.000 1.639 360 M HN 0.826 nan 8.290 nan 0.000 0.451 361 S N 1.139 116.797 115.700 -0.070 0.000 2.402 361 S HA -0.177 4.295 4.470 0.002 0.000 0.233 361 S C 1.474 175.937 174.600 -0.228 0.000 1.030 361 S CA 2.037 60.115 58.200 -0.203 0.000 1.003 361 S CB -1.307 61.806 63.200 -0.144 0.000 0.813 361 S HN 0.925 nan 8.310 nan 0.000 0.477 362 T N 0.239 114.688 114.554 -0.175 0.000 2.962 362 T HA -0.016 4.336 4.350 0.002 0.000 0.270 362 T C 1.533 176.084 174.700 -0.249 0.000 1.088 362 T CA 1.152 63.102 62.100 -0.249 0.000 1.127 362 T CB -0.554 68.122 68.868 -0.320 0.000 0.883 362 T HN 0.605 nan 8.240 nan 0.000 0.493 363 E N 1.024 121.100 120.200 -0.206 0.000 2.077 363 E HA -0.052 4.299 4.350 0.002 0.000 0.193 363 E C 2.076 178.443 176.600 -0.389 0.000 0.989 363 E CA 1.401 57.688 56.400 -0.188 0.000 0.800 363 E CB -0.307 29.414 29.700 0.034 0.000 0.746 363 E HN 0.586 nan 8.360 nan 0.000 0.452 364 I N 0.417 120.622 120.570 -0.608 0.000 2.270 364 I HA -0.068 4.103 4.170 0.002 0.000 0.239 364 I C 2.643 178.411 176.117 -0.583 0.000 1.080 364 I CA 0.967 61.728 61.300 -0.898 0.000 1.383 364 I CB -0.623 36.730 38.000 -1.078 0.000 1.097 364 I HN 0.112 nan 8.210 nan 0.000 0.420 365 G N 0.305 108.863 108.800 -0.403 0.000 2.422 365 G HA2 -0.186 3.775 3.960 0.002 0.000 0.218 365 G HA3 -0.186 3.775 3.960 0.002 0.000 0.218 365 G C 1.630 176.416 174.900 -0.191 0.000 1.146 365 G CA 1.606 46.560 45.100 -0.244 0.000 0.769 365 G HN 0.314 nan 8.290 nan 0.000 0.547 366 T N -0.163 114.258 114.554 -0.221 0.000 2.988 366 T HA 0.105 4.456 4.350 0.002 0.000 0.240 366 T C 2.526 177.123 174.700 -0.172 0.000 1.014 366 T CA 0.303 62.294 62.100 -0.180 0.000 1.155 366 T CB 0.097 68.841 68.868 -0.206 0.000 0.872 366 T HN 0.033 nan 8.240 nan 0.000 0.440 367 R N 1.763 122.140 120.500 -0.205 0.000 2.052 367 R HA 0.112 4.453 4.340 0.002 0.000 0.224 367 R C 2.022 178.214 176.300 -0.180 0.000 1.149 367 R CA 1.096 57.089 56.100 -0.179 0.000 0.962 367 R CB -0.958 29.239 30.300 -0.172 0.000 0.856 367 R HN 0.364 nan 8.270 nan 0.000 0.433 368 D N 1.024 121.265 120.400 -0.266 0.000 2.117 368 D HA -0.088 4.553 4.640 0.002 0.000 0.197 368 D C 2.102 178.337 176.300 -0.109 0.000 0.987 368 D CA 1.056 54.900 54.000 -0.260 0.000 0.829 368 D CB 0.001 40.308 40.800 -0.821 0.000 0.961 368 D HN 0.150 nan 8.370 nan 0.000 0.460 369 L N -0.219 120.889 121.223 -0.192 0.000 2.249 369 L HA 0.016 4.357 4.340 0.002 0.000 0.207 369 L C 2.147 179.047 176.870 0.050 0.000 1.090 369 L CA 0.459 55.287 54.840 -0.020 0.000 0.802 369 L CB 0.138 42.160 42.059 -0.063 0.000 0.947 369 L HN 0.062 nan 8.230 nan 0.000 0.453 370 C N -1.392 117.899 119.300 -0.015 0.000 2.780 370 C HA 0.140 4.601 4.460 0.002 0.000 0.267 370 C C 0.771 175.759 174.990 -0.004 0.000 1.266 370 C CA -0.925 58.097 59.018 0.007 0.000 1.709 370 C CB -0.513 27.217 27.740 -0.017 0.000 1.975 370 C HN 0.313 nan 8.230 nan 0.000 0.582 371 D N 2.223 122.594 120.400 -0.050 0.000 2.472 371 D HA 0.068 4.709 4.640 0.002 0.000 0.237 371 D C -1.439 174.862 176.300 0.002 0.000 1.141 371 D CA -1.083 52.877 54.000 -0.066 0.000 0.875 371 D CB 0.606 41.224 40.800 -0.304 0.000 1.192 371 D HN 0.132 nan 8.370 nan 0.000 0.450 372 P HA -0.120 nan 4.420 nan 0.000 0.218 372 P C 0.671 178.070 177.300 0.165 0.000 1.149 372 P CA 1.177 64.364 63.100 0.144 0.000 0.817 372 P CB 0.026 31.820 31.700 0.155 0.000 0.785 373 H N -2.600 116.482 119.070 0.020 0.000 2.519 373 H HA 0.350 4.907 4.556 0.002 0.000 0.289 373 H C 0.856 176.192 175.328 0.014 0.000 1.040 373 H CA -0.091 55.966 56.048 0.014 0.000 1.165 373 H CB -0.056 29.714 29.762 0.013 0.000 1.462 373 H HN -0.023 nan 8.280 nan 0.000 0.555 374 R N -0.231 120.170 120.500 -0.165 0.000 3.066 374 R HA 0.183 4.524 4.340 0.002 0.000 0.143 374 R C 1.042 177.310 176.300 -0.053 0.000 1.187 374 R CA -0.709 55.319 56.100 -0.120 0.000 0.722 374 R CB -0.829 29.410 30.300 -0.101 0.000 1.366 374 R HN 0.094 nan 8.270 nan 0.000 0.421 375 Y N 1.593 121.916 120.300 0.038 0.000 2.497 375 Y HA -0.112 4.439 4.550 0.002 0.000 0.292 375 Y C 0.730 176.663 175.900 0.056 0.000 1.137 375 Y CA 1.147 59.289 58.100 0.071 0.000 1.285 375 Y CB -0.322 38.225 38.460 0.145 0.000 0.991 375 Y HN 0.498 nan 8.280 nan 0.000 0.556 376 N N 0.608 119.402 118.700 0.156 0.000 2.705 376 N HA -0.233 4.509 4.740 0.002 0.000 0.255 376 N C 0.406 176.002 175.510 0.143 0.000 1.008 376 N CA 0.822 53.944 53.050 0.120 0.000 0.742 376 N CB -1.344 37.196 38.487 0.089 0.000 0.906 376 N HN 0.665 nan 8.380 nan 0.000 0.541 377 I N -3.663 117.004 120.570 0.162 0.000 3.793 377 I HA 0.059 4.230 4.170 0.002 0.000 0.315 377 I C 1.535 177.753 176.117 0.167 0.000 1.275 377 I CA -0.359 61.035 61.300 0.158 0.000 1.214 377 I CB -0.095 38.002 38.000 0.163 0.000 1.018 377 I HN 0.072 nan 8.210 nan 0.000 0.439 378 L N 1.904 123.234 121.223 0.178 0.000 1.978 378 L HA -0.260 4.081 4.340 0.002 0.000 0.218 378 L C 2.615 179.684 176.870 0.331 0.000 1.075 378 L CA 2.228 57.209 54.840 0.235 0.000 0.767 378 L CB -1.097 41.078 42.059 0.194 0.000 0.890 378 L HN 0.472 nan 8.230 nan 0.000 0.434 379 E N -1.064 119.333 120.200 0.327 0.000 2.118 379 E HA -0.234 4.117 4.350 0.002 0.000 0.195 379 E C 1.756 178.393 176.600 0.062 0.000 0.992 379 E CA 1.350 57.871 56.400 0.201 0.000 0.804 379 E CB 0.049 29.812 29.700 0.105 0.000 0.741 379 E HN 0.525 nan 8.360 nan 0.000 0.458 380 D N -0.135 120.308 120.400 0.071 0.000 2.097 380 D HA -0.149 4.492 4.640 0.002 0.000 0.195 380 D C 2.069 178.377 176.300 0.013 0.000 0.989 380 D CA 1.081 55.090 54.000 0.016 0.000 0.827 380 D CB -0.203 40.616 40.800 0.031 0.000 0.966 380 D HN 0.134 nan 8.370 nan 0.000 0.456 381 V N 1.685 121.667 119.914 0.114 0.000 2.358 381 V HA -0.213 3.908 4.120 0.002 0.000 0.246 381 V C 2.605 178.794 176.094 0.159 0.000 1.047 381 V CA 1.700 64.123 62.300 0.206 0.000 1.035 381 V CB -0.799 31.227 31.823 0.338 0.000 0.658 381 V HN 0.166 nan 8.190 nan 0.000 0.452 382 A N -0.273 122.648 122.820 0.168 0.000 1.908 382 A HA -0.081 4.240 4.320 0.002 0.000 0.218 382 A C 1.553 179.114 177.584 -0.037 0.000 1.181 382 A CA 1.402 53.525 52.037 0.143 0.000 0.627 382 A CB -0.571 18.579 19.000 0.251 0.000 0.818 382 A HN 0.326 nan 8.150 nan 0.000 0.445 386 D N 2.298 122.626 120.400 -0.122 0.000 2.800 386 D HA -0.137 4.504 4.640 0.002 0.000 0.232 386 D C -0.899 175.366 176.300 -0.058 0.000 1.137 386 D CA 0.705 54.643 54.000 -0.102 0.000 0.718 386 D CB -0.810 39.938 40.800 -0.085 0.000 1.084 386 D HN 0.426 nan 8.370 nan 0.000 0.432 387 L N -0.050 121.146 121.223 -0.045 0.000 2.456 387 L HA 0.271 4.612 4.340 0.002 0.000 0.257 387 L C 1.101 177.919 176.870 -0.087 0.000 1.162 387 L CA -0.511 54.325 54.840 -0.007 0.000 0.808 387 L CB 0.435 42.549 42.059 0.091 0.000 1.136 387 L HN -0.005 nan 8.230 nan 0.000 0.466 388 D N 0.494 120.865 120.400 -0.047 0.000 2.422 388 D HA 0.015 4.656 4.640 0.002 0.000 0.227 388 D C 0.857 177.010 176.300 -0.246 0.000 1.190 388 D CA -0.196 53.745 54.000 -0.099 0.000 0.905 388 D CB 0.820 41.613 40.800 -0.013 0.000 1.034 388 D HN 0.583 nan 8.370 nan 0.000 0.507 389 T N 0.801 115.042 114.554 -0.521 0.000 3.219 389 T HA 0.120 4.471 4.350 0.002 0.000 0.249 389 T C 1.504 175.917 174.700 -0.479 0.000 1.099 389 T CA -0.094 61.348 62.100 -1.097 0.000 0.988 389 T CB 0.013 68.084 68.868 -1.329 0.000 0.999 389 T HN 0.240 nan 8.240 nan 0.000 0.550 390 R N 1.403 121.783 120.500 -0.201 0.000 2.115 390 R HA 0.080 4.421 4.340 0.002 0.000 0.226 390 R C 0.856 177.182 176.300 0.043 0.000 1.100 390 R CA 1.277 57.338 56.100 -0.065 0.000 0.980 390 R CB -0.107 30.167 30.300 -0.042 0.000 0.875 390 R HN 0.632 nan 8.270 nan 0.000 0.445 391 T N -3.832 110.794 114.554 0.120 0.000 2.896 391 T HA 0.166 4.518 4.350 0.002 0.000 0.297 391 T C 0.898 175.782 174.700 0.307 0.000 1.108 391 T CA -0.619 61.586 62.100 0.175 0.000 1.004 391 T CB 1.953 70.885 68.868 0.106 0.000 1.159 391 T HN 0.088 nan 8.240 nan 0.000 0.499 392 T N -1.299 113.386 114.554 0.217 0.000 2.995 392 T HA -0.077 4.274 4.350 0.002 0.000 0.269 392 T C 2.033 176.781 174.700 0.080 0.000 1.091 392 T CA 1.160 63.338 62.100 0.129 0.000 1.128 392 T CB -0.877 68.011 68.868 0.034 0.000 0.891 392 T HN 0.794 nan 8.240 nan 0.000 0.492 393 S N 2.174 117.928 115.700 0.091 0.000 2.547 393 S HA -0.075 4.396 4.470 0.002 0.000 0.235 393 S C 2.075 176.723 174.600 0.080 0.000 0.980 393 S CA 0.792 59.030 58.200 0.064 0.000 0.941 393 S CB -0.842 62.390 63.200 0.053 0.000 0.763 393 S HN 0.759 nan 8.310 nan 0.000 0.532 394 S N 1.485 117.268 115.700 0.140 0.000 2.558 394 S HA 0.270 4.741 4.470 0.002 0.000 0.217 394 S C 0.926 175.608 174.600 0.137 0.000 0.975 394 S CA 0.061 58.350 58.200 0.149 0.000 0.912 394 S CB -0.897 62.428 63.200 0.207 0.000 0.776 394 S HN 0.572 nan 8.310 nan 0.000 0.526 395 L N 0.939 122.210 121.223 0.080 0.000 3.843 395 L HA -0.174 4.168 4.340 0.002 0.000 0.411 395 L C 1.631 178.511 176.870 0.018 0.000 1.205 395 L CA 0.730 55.560 54.840 -0.016 0.000 0.945 395 L CB -2.417 39.643 42.059 0.002 0.000 1.929 395 L HN 0.752 nan 8.230 nan 0.000 0.934 396 W N -0.025 121.287 121.300 0.020 0.000 2.374 396 W HA -0.144 4.517 4.660 0.001 0.000 0.288 396 W C 1.712 178.250 176.519 0.031 0.000 1.218 396 W CA 1.259 58.619 57.345 0.025 0.000 1.245 396 W CB -0.692 28.780 29.460 0.020 0.000 1.126 396 W HN 0.277 nan 8.180 nan 0.000 0.545 397 K N 1.052 121.038 120.400 -0.690 0.000 2.057 397 K HA -0.156 4.165 4.320 0.002 0.000 0.206 397 K C 1.529 178.000 176.600 -0.214 0.000 1.050 397 K CA 2.317 58.237 56.287 -0.613 0.000 0.935 397 K CB -0.323 31.659 32.500 -0.863 0.000 0.715 397 K HN 0.046 nan 8.250 nan 0.000 0.439 398 D N 0.688 120.982 120.400 -0.177 0.000 2.117 398 D HA -0.120 4.521 4.640 0.002 0.000 0.198 398 D C 1.660 177.955 176.300 -0.008 0.000 0.982 398 D CA 1.189 55.140 54.000 -0.082 0.000 0.828 398 D CB 0.026 40.784 40.800 -0.071 0.000 0.967 398 D HN 0.101 nan 8.370 nan 0.000 0.464 399 K N 0.458 120.879 120.400 0.034 0.000 2.057 399 K HA -0.023 4.298 4.320 0.002 0.000 0.207 399 K C 2.189 178.855 176.600 0.110 0.000 1.049 399 K CA 1.129 57.464 56.287 0.080 0.000 0.931 399 K CB -0.142 32.426 32.500 0.113 0.000 0.714 399 K HN 0.091 nan 8.250 nan 0.000 0.440 400 A N 1.545 124.453 122.820 0.145 0.000 1.898 400 A HA -0.094 4.227 4.320 0.002 0.000 0.216 400 A C 2.387 180.053 177.584 0.136 0.000 1.181 400 A CA 1.749 53.899 52.037 0.188 0.000 0.620 400 A CB -0.703 18.451 19.000 0.256 0.000 0.819 400 A HN 0.324 nan 8.150 nan 0.000 0.442 401 A N -0.408 122.452 122.820 0.068 0.000 1.883 401 A HA -0.073 4.248 4.320 0.002 0.000 0.217 401 A C 2.235 179.832 177.584 0.021 0.000 1.186 401 A CA 1.981 54.032 52.037 0.024 0.000 0.624 401 A CB -1.083 17.895 19.000 -0.036 0.000 0.822 401 A HN 0.431 nan 8.150 nan 0.000 0.444 402 V N 0.394 120.326 119.914 0.029 0.000 2.332 402 V HA -0.235 3.886 4.120 0.002 0.000 0.248 402 V C 2.543 178.665 176.094 0.048 0.000 1.055 402 V CA 2.192 64.513 62.300 0.036 0.000 1.038 402 V CB -0.756 31.096 31.823 0.049 0.000 0.651 402 V HN 0.536 nan 8.190 nan 0.000 0.450 403 E N -0.164 120.086 120.200 0.084 0.000 2.150 403 E HA -0.124 4.228 4.350 0.002 0.000 0.193 403 E C 2.119 178.739 176.600 0.033 0.000 0.985 403 E CA 1.148 57.617 56.400 0.114 0.000 0.814 403 E CB -0.260 29.512 29.700 0.120 0.000 0.752 403 E HN 0.595 nan 8.360 nan 0.000 0.466 404 I N 1.259 121.864 120.570 0.060 0.000 2.252 404 I HA -0.264 3.907 4.170 0.002 0.000 0.245 404 I C 1.752 177.830 176.117 -0.065 0.000 1.102 404 I CA 0.981 62.303 61.300 0.037 0.000 1.385 404 I CB -0.267 37.826 38.000 0.155 0.000 1.064 404 I HN 0.031 nan 8.210 nan 0.000 0.414 405 N N 0.586 119.253 118.700 -0.054 0.000 2.166 405 N HA -0.189 4.552 4.740 0.002 0.000 0.186 405 N C 1.677 177.135 175.510 -0.087 0.000 1.019 405 N CA 0.929 53.931 53.050 -0.081 0.000 0.856 405 N CB -0.196 38.257 38.487 -0.058 0.000 0.993 405 N HN 0.149 nan 8.380 nan 0.000 0.426 406 L N 0.632 121.799 121.223 -0.093 0.000 2.056 406 L HA 0.013 4.354 4.340 0.002 0.000 0.207 406 L C 2.004 178.727 176.870 -0.245 0.000 1.078 406 L CA 1.317 56.065 54.840 -0.152 0.000 0.749 406 L CB -0.833 41.119 42.059 -0.178 0.000 0.901 406 L HN 0.159 nan 8.230 nan 0.000 0.433 407 A N -1.278 121.338 122.820 -0.340 0.000 1.902 407 A HA -0.160 4.161 4.320 0.002 0.000 0.217 407 A C 2.275 179.777 177.584 -0.137 0.000 1.181 407 A CA 2.001 53.799 52.037 -0.398 0.000 0.623 407 A CB -1.072 17.415 19.000 -0.855 0.000 0.818 407 A HN 0.283 nan 8.150 nan 0.000 0.443 408 V N 0.002 119.853 119.914 -0.105 0.000 2.295 408 V HA -0.268 3.853 4.120 0.002 0.000 0.246 408 V C 2.587 178.687 176.094 0.010 0.000 1.049 408 V CA 2.025 64.309 62.300 -0.026 0.000 1.024 408 V CB -0.762 30.963 31.823 -0.163 0.000 0.648 408 V HN 0.573 nan 8.190 nan 0.000 0.447 409 L N -0.593 120.600 121.223 -0.050 0.000 2.017 409 L HA -0.240 4.101 4.340 0.002 0.000 0.208 409 L C 2.631 179.523 176.870 0.037 0.000 1.073 409 L CA 2.233 57.061 54.840 -0.020 0.000 0.745 409 L CB -0.807 41.235 42.059 -0.028 0.000 0.894 409 L HN 0.478 nan 8.230 nan 0.000 0.432 410 H N -0.336 118.682 119.070 -0.086 0.000 2.319 410 H HA -0.153 4.405 4.556 0.002 0.000 0.299 410 H C 2.336 177.646 175.328 -0.030 0.000 1.092 410 H CA 2.008 57.999 56.048 -0.095 0.000 1.302 410 H CB -0.024 29.616 29.762 -0.204 0.000 1.373 410 H HN 0.162 nan 8.280 nan 0.000 0.497 411 S N -0.564 115.078 115.700 -0.098 0.000 2.368 411 S HA -0.115 4.356 4.470 0.002 0.000 0.225 411 S C 2.006 176.576 174.600 -0.050 0.000 1.030 411 S CA 1.276 59.413 58.200 -0.105 0.000 0.999 411 S CB -0.458 62.769 63.200 0.045 0.000 0.844 411 S HN 0.395 nan 8.310 nan 0.000 0.459 412 F N 1.758 121.641 119.950 -0.112 0.000 2.206 412 F HA -0.066 4.463 4.527 0.002 0.000 0.298 412 F C 2.734 178.476 175.800 -0.096 0.000 1.090 412 F CA 0.852 58.810 58.000 -0.070 0.000 1.323 412 F CB -0.202 38.782 39.000 -0.027 0.000 1.028 412 F HN 0.187 nan 8.300 nan 0.000 0.492 413 Q N -0.362 119.469 119.800 0.052 0.000 2.167 413 Q HA -0.183 4.159 4.340 0.002 0.000 0.202 413 Q C 2.097 178.036 176.000 -0.102 0.000 0.970 413 Q CA 1.062 56.849 55.803 -0.028 0.000 0.855 413 Q CB -0.233 28.485 28.738 -0.034 0.000 0.911 413 Q HN 0.364 nan 8.270 nan 0.000 0.438 414 L N 0.266 121.370 121.223 -0.199 0.000 2.072 414 L HA -0.018 4.323 4.340 0.002 0.000 0.205 414 L C 1.919 178.701 176.870 -0.147 0.000 1.079 414 L CA 1.745 56.452 54.840 -0.221 0.000 0.752 414 L CB -0.435 41.400 42.059 -0.373 0.000 0.906 414 L HN 0.085 nan 8.230 nan 0.000 0.436 415 A N -1.201 121.528 122.820 -0.152 0.000 2.238 415 A HA 0.006 4.327 4.320 0.002 0.000 0.208 415 A C 0.983 178.502 177.584 -0.109 0.000 1.177 415 A CA 0.240 52.191 52.037 -0.143 0.000 0.804 415 A CB -0.533 18.338 19.000 -0.215 0.000 0.823 415 A HN 0.481 nan 8.150 nan 0.000 0.482 416 K N -1.047 119.304 120.400 -0.083 0.000 3.150 416 K HA -0.125 4.196 4.320 0.002 0.000 0.267 416 K C -0.850 175.723 176.600 -0.045 0.000 1.028 416 K CA 0.640 56.892 56.287 -0.058 0.000 0.753 416 K CB -2.093 30.373 32.500 -0.057 0.000 1.288 416 K HN 0.248 nan 8.250 nan 0.000 0.473 417 V N 1.058 120.961 119.914 -0.019 0.000 2.495 417 V HA 0.161 4.282 4.120 0.002 0.000 0.298 417 V C 0.731 176.915 176.094 0.151 0.000 1.031 417 V CA -0.729 61.595 62.300 0.039 0.000 0.871 417 V CB 2.030 33.826 31.823 -0.044 0.000 0.988 417 V HN 0.264 nan 8.190 nan 0.000 0.432 418 T N 6.254 120.848 114.554 0.068 0.000 2.934 418 T HA 0.405 4.756 4.350 0.002 0.000 0.306 418 T C -0.251 174.498 174.700 0.083 0.000 1.042 418 T CA 0.890 62.949 62.100 -0.068 0.000 1.145 418 T CB 0.063 68.734 68.868 -0.329 0.000 0.982 418 T HN 0.560 nan 8.240 nan 0.000 0.544 419 I N 2.265 122.822 120.570 -0.022 0.000 2.882 419 I HA 0.582 4.754 4.170 0.002 0.000 0.298 419 I C -1.579 174.555 176.117 0.028 0.000 1.462 419 I CA -0.940 60.382 61.300 0.037 0.000 1.000 419 I CB 1.921 39.855 38.000 -0.110 0.000 1.340 419 I HN 0.445 nan 8.210 nan 0.000 0.462 420 V N 5.097 125.092 119.914 0.134 0.000 2.656 420 V HA 0.504 4.625 4.120 0.002 0.000 0.307 420 V C -1.131 175.014 176.094 0.085 0.000 1.051 420 V CA -0.266 62.114 62.300 0.135 0.000 0.893 420 V CB 2.189 34.183 31.823 0.286 0.000 0.999 420 V HN 0.865 nan 8.190 nan 0.000 0.426 421 D N 3.919 124.350 120.400 0.051 0.000 2.354 421 D HA 0.193 4.834 4.640 0.002 0.000 0.247 421 D C 1.267 177.576 176.300 0.015 0.000 1.138 421 D CA 0.159 54.179 54.000 0.034 0.000 0.958 421 D CB 0.489 41.285 40.800 -0.007 0.000 1.144 421 D HN 0.731 nan 8.370 nan 0.000 0.458 422 H N -0.058 118.945 119.070 -0.112 0.000 2.456 422 H HA -0.142 4.416 4.556 0.002 0.000 0.296 422 H C 0.954 176.163 175.328 -0.199 0.000 1.079 422 H CA 1.315 57.255 56.048 -0.179 0.000 1.322 422 H CB -0.540 29.062 29.762 -0.266 0.000 1.388 422 H HN 0.520 nan 8.280 nan 0.000 0.538 423 H N 1.151 120.019 119.070 -0.337 0.000 2.333 423 H HA 0.139 4.696 4.556 0.002 0.000 0.302 423 H C 2.531 177.833 175.328 -0.042 0.000 1.075 423 H CA 1.352 57.293 56.048 -0.178 0.000 1.348 423 H CB -0.284 29.341 29.762 -0.228 0.000 1.393 423 H HN 0.513 nan 8.280 nan 0.000 0.509 424 A N 1.354 124.222 122.820 0.080 0.000 1.902 424 A HA -0.085 4.236 4.320 0.002 0.000 0.217 424 A C 2.689 180.341 177.584 0.113 0.000 1.181 424 A CA 1.748 53.839 52.037 0.090 0.000 0.623 424 A CB -0.796 18.251 19.000 0.077 0.000 0.818 424 A HN 0.429 nan 8.150 nan 0.000 0.443 425 A N -0.205 122.680 122.820 0.108 0.000 1.877 425 A HA -0.109 4.212 4.320 0.002 0.000 0.216 425 A C 2.461 180.137 177.584 0.153 0.000 1.186 425 A CA 2.598 54.717 52.037 0.138 0.000 0.620 425 A CB -1.416 17.653 19.000 0.115 0.000 0.822 425 A HN 0.758 nan 8.150 nan 0.000 0.443 426 T N -2.721 111.906 114.554 0.121 0.000 2.821 426 T HA -0.075 4.277 4.350 0.002 0.000 0.267 426 T C 1.689 176.513 174.700 0.206 0.000 1.046 426 T CA 1.365 63.561 62.100 0.160 0.000 1.139 426 T CB -0.728 68.201 68.868 0.103 0.000 0.871 426 T HN 0.047 nan 8.240 nan 0.000 0.454 427 V N 2.824 122.835 119.914 0.161 0.000 2.343 427 V HA -0.171 3.951 4.120 0.002 0.000 0.247 427 V C 3.218 179.401 176.094 0.148 0.000 1.051 427 V CA 2.095 64.482 62.300 0.145 0.000 1.036 427 V CB -0.929 30.961 31.823 0.113 0.000 0.654 427 V HN 0.809 nan 8.190 nan 0.000 0.451 428 S N -0.342 115.455 115.700 0.163 0.000 2.402 428 S HA -0.205 4.266 4.470 0.002 0.000 0.229 428 S C 1.960 176.679 174.600 0.199 0.000 1.021 428 S CA 1.420 59.718 58.200 0.162 0.000 0.974 428 S CB -0.690 62.611 63.200 0.168 0.000 0.800 428 S HN 0.508 nan 8.310 nan 0.000 0.484 429 F N 2.195 122.205 119.950 0.100 0.000 2.186 429 F HA 0.126 4.655 4.527 0.002 0.000 0.299 429 F C 2.254 178.140 175.800 0.144 0.000 1.090 429 F CA 1.124 59.195 58.000 0.118 0.000 1.307 429 F CB -0.323 38.726 39.000 0.081 0.000 1.019 429 F HN 0.105 nan 8.300 nan 0.000 0.489 430 M N 0.069 119.738 119.600 0.115 0.000 2.159 430 M HA -0.179 4.302 4.480 0.002 0.000 0.263 430 M C 2.188 178.465 176.300 -0.038 0.000 1.063 430 M CA 1.490 56.804 55.300 0.024 0.000 1.110 430 M CB -1.180 31.482 32.600 0.103 0.000 1.374 430 M HN 0.099 nan 8.290 nan 0.000 0.411 431 K N -0.356 120.050 120.400 0.011 0.000 2.057 431 K HA -0.204 4.117 4.320 0.002 0.000 0.206 431 K C 1.991 178.570 176.600 -0.034 0.000 1.050 431 K CA 1.635 57.925 56.287 0.004 0.000 0.935 431 K CB -0.424 32.102 32.500 0.044 0.000 0.715 431 K HN 0.335 nan 8.250 nan 0.000 0.439 432 H N 0.093 119.074 119.070 -0.150 0.000 2.353 432 H HA -0.033 4.524 4.556 0.002 0.000 0.300 432 H C 1.649 176.812 175.328 -0.275 0.000 1.090 432 H CA 2.133 58.063 56.048 -0.198 0.000 1.327 432 H CB -0.139 29.470 29.762 -0.256 0.000 1.383 432 H HN 0.172 nan 8.280 nan 0.000 0.508 433 L N -0.297 120.649 121.223 -0.461 0.000 2.046 433 L HA -0.172 4.169 4.340 0.002 0.000 0.208 433 L C 2.298 179.013 176.870 -0.258 0.000 1.077 433 L CA 1.903 56.499 54.840 -0.406 0.000 0.747 433 L CB -0.462 41.422 42.059 -0.291 0.000 0.896 433 L HN 0.401 nan 8.230 nan 0.000 0.432 434 D N -0.204 120.090 120.400 -0.177 0.000 2.117 434 D HA -0.184 4.457 4.640 0.002 0.000 0.198 434 D C 1.934 178.160 176.300 -0.123 0.000 0.982 434 D CA 1.082 55.014 54.000 -0.113 0.000 0.828 434 D CB 0.123 40.883 40.800 -0.066 0.000 0.967 434 D HN 0.142 nan 8.370 nan 0.000 0.464 435 N N 0.461 119.075 118.700 -0.143 0.000 2.104 435 N HA -0.131 4.610 4.740 0.002 0.000 0.190 435 N C 1.543 176.965 175.510 -0.147 0.000 1.024 435 N CA 0.840 53.822 53.050 -0.112 0.000 0.853 435 N CB -0.209 38.234 38.487 -0.073 0.000 1.008 435 N HN 0.349 nan 8.380 nan 0.000 0.424 436 E N 0.448 120.480 120.200 -0.281 0.000 2.158 436 E HA -0.123 4.228 4.350 0.002 0.000 0.191 436 E C 1.832 178.340 176.600 -0.154 0.000 0.982 436 E CA 0.414 56.658 56.400 -0.260 0.000 0.823 436 E CB -0.065 29.378 29.700 -0.428 0.000 0.766 436 E HN 0.322 nan 8.360 nan 0.000 0.468 437 Q N 1.625 121.342 119.800 -0.138 0.000 2.084 437 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 437 Q C 1.771 177.731 176.000 -0.067 0.000 0.978 437 Q CA 1.681 57.433 55.803 -0.085 0.000 0.844 437 Q CB 0.043 28.738 28.738 -0.073 0.000 0.898 437 Q HN 0.113 nan 8.270 nan 0.000 0.426 438 K N -0.828 119.533 120.400 -0.066 0.000 2.062 438 K HA 0.025 4.346 4.320 0.002 0.000 0.205 438 K C 2.012 178.588 176.600 -0.040 0.000 1.051 438 K CA 1.011 57.270 56.287 -0.047 0.000 0.941 438 K CB -0.150 32.327 32.500 -0.039 0.000 0.719 438 K HN 0.239 nan 8.250 nan 0.000 0.440 439 A N 1.217 124.012 122.820 -0.042 0.000 1.897 439 A HA -0.053 4.268 4.320 0.002 0.000 0.215 439 A C 1.754 179.321 177.584 -0.027 0.000 1.181 439 A CA 1.113 53.137 52.037 -0.021 0.000 0.620 439 A CB 0.011 19.013 19.000 0.004 0.000 0.821 439 A HN 0.163 nan 8.150 nan 0.000 0.443 440 R N -2.691 117.781 120.500 -0.047 0.000 2.541 440 R HA 0.269 4.610 4.340 0.002 0.000 0.332 440 R C 0.824 177.098 176.300 -0.043 0.000 0.951 440 R CA 0.515 56.590 56.100 -0.041 0.000 1.136 440 R CB 0.748 31.021 30.300 -0.046 0.000 1.449 440 R HN 0.684 nan 8.270 nan 0.000 0.531 441 G N 0.825 109.593 108.800 -0.053 0.000 2.136 441 G HA2 -0.175 3.787 3.960 0.002 0.000 0.242 441 G HA3 -0.175 3.787 3.960 0.002 0.000 0.242 441 G C 0.232 175.115 174.900 -0.029 0.000 0.989 441 G CA 0.014 45.078 45.100 -0.059 0.000 0.682 441 G HN 0.735 nan 8.290 nan 0.000 0.522 442 G N -2.334 106.457 108.800 -0.016 0.000 2.341 442 G HA2 0.550 4.511 3.960 0.002 0.000 0.293 442 G HA3 0.550 4.511 3.960 0.002 0.000 0.293 442 G C -0.782 174.135 174.900 0.027 0.000 1.298 442 G CA 0.568 45.690 45.100 0.037 0.000 0.868 442 G HN 2.051 nan 8.290 nan 0.000 0.540 443 C N 1.721 121.070 119.300 0.082 0.000 2.924 443 C HA 0.696 5.157 4.460 0.002 0.000 0.400 443 C C -2.631 172.340 174.990 -0.032 0.000 1.032 443 C CA -0.963 58.055 59.018 -0.000 0.000 1.236 443 C CB 1.268 28.951 27.740 -0.096 0.000 1.660 443 C HN 0.761 nan 8.230 nan 0.000 0.510 444 P HA 0.438 nan 4.420 nan 0.000 0.271 444 P C -0.652 176.545 177.300 -0.173 0.000 1.220 444 P CA 0.542 63.268 63.100 -0.624 0.000 0.768 444 P CB 1.198 32.300 31.700 -0.998 0.000 0.848 445 A N 2.501 125.284 122.820 -0.061 0.000 2.517 445 A HA 0.414 4.735 4.320 0.002 0.000 0.297 445 A C -1.214 176.423 177.584 0.089 0.000 1.050 445 A CA -0.568 51.524 52.037 0.092 0.000 0.694 445 A CB 1.320 20.499 19.000 0.298 0.000 1.277 445 A HN 0.450 nan 8.150 nan 0.000 0.400 446 D N 1.811 122.256 120.400 0.074 0.000 2.443 446 D HA 0.162 4.803 4.640 0.002 0.000 0.221 446 D C 0.788 177.223 176.300 0.224 0.000 1.097 446 D CA -0.461 53.614 54.000 0.126 0.000 0.865 446 D CB 0.427 41.246 40.800 0.032 0.000 1.034 446 D HN 0.591 nan 8.370 nan 0.000 0.511 447 W N 4.271 125.614 121.300 0.071 0.000 2.318 447 W HA -0.266 4.395 4.660 0.002 0.000 0.313 447 W C 1.919 178.478 176.519 0.068 0.000 1.221 447 W CA 2.164 59.541 57.345 0.053 0.000 1.266 447 W CB 0.066 29.534 29.460 0.013 0.000 1.150 447 W HN 0.565 nan 8.180 nan 0.000 0.496 448 A N -1.338 121.774 122.820 0.486 0.000 2.070 448 A HA -0.188 4.134 4.320 0.002 0.000 0.220 448 A C 1.436 179.094 177.584 0.123 0.000 1.159 448 A CA 1.564 53.805 52.037 0.339 0.000 0.656 448 A CB -1.172 18.055 19.000 0.378 0.000 0.800 448 A HN 0.540 nan 8.150 nan 0.000 0.453 449 W N -1.030 120.244 121.300 -0.043 0.000 2.762 449 W HA 0.214 4.875 4.660 0.002 0.000 0.265 449 W C 1.822 178.229 176.519 -0.187 0.000 1.263 449 W CA -0.107 57.187 57.345 -0.084 0.000 1.411 449 W CB 0.019 29.455 29.460 -0.039 0.000 1.065 449 W HN 0.129 nan 8.180 nan 0.000 0.609 450 I N -0.158 120.369 120.570 -0.072 0.000 2.406 450 I HA -0.066 4.105 4.170 0.002 0.000 0.249 450 I C 0.650 176.562 176.117 -0.341 0.000 1.122 450 I CA 0.781 61.910 61.300 -0.285 0.000 1.431 450 I CB -1.453 36.308 38.000 -0.399 0.000 1.087 450 I HN -0.425 nan 8.210 nan 0.000 0.424 451 V N 4.003 123.626 119.914 -0.485 0.000 2.521 451 V HA 0.069 4.190 4.120 0.002 0.000 0.286 451 V C -1.912 173.997 176.094 -0.309 0.000 1.034 451 V CA -1.014 60.991 62.300 -0.492 0.000 1.045 451 V CB 0.111 31.392 31.823 -0.903 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.116 nan 4.420 nan 0.000 0.269 452 P C -1.747 175.416 177.300 -0.229 0.000 1.215 452 P CA -1.095 61.873 63.100 -0.221 0.000 0.780 452 P CB 0.070 31.646 31.700 -0.206 0.000 0.898 453 P HA -0.026 nan 4.420 nan 0.000 0.230 453 P C 0.156 177.338 177.300 -0.197 0.000 1.158 453 P CA 1.184 64.158 63.100 -0.210 0.000 0.769 453 P CB 0.019 31.590 31.700 -0.216 0.000 0.807 454 I N -6.727 113.688 120.570 -0.258 0.000 2.828 454 I HA 0.469 4.640 4.170 0.002 0.000 0.302 454 I C -0.081 175.920 176.117 -0.193 0.000 1.101 454 I CA -1.256 59.914 61.300 -0.216 0.000 1.031 454 I CB 2.001 39.857 38.000 -0.241 0.000 1.231 454 I HN -0.405 nan 8.210 nan 0.000 0.427 455 S N 2.218 117.859 115.700 -0.098 0.000 3.581 455 S HA -0.190 4.281 4.470 0.002 0.000 0.354 455 S C 1.363 175.931 174.600 -0.055 0.000 1.059 455 S CA 0.798 58.980 58.200 -0.030 0.000 1.060 455 S CB -1.668 61.597 63.200 0.108 0.000 0.908 455 S HN 1.265 nan 8.310 nan 0.000 0.475 456 G N 2.319 111.056 108.800 -0.106 0.000 2.631 456 G HA2 -0.327 3.634 3.960 0.002 0.000 0.219 456 G HA3 -0.327 3.634 3.960 0.002 0.000 0.219 456 G C 1.467 176.232 174.900 -0.225 0.000 1.214 456 G CA 1.570 46.611 45.100 -0.098 0.000 0.785 456 G HN 1.289 nan 8.290 nan 0.000 0.596 457 S N 0.389 115.699 115.700 -0.650 0.000 2.555 457 S HA 0.142 4.613 4.470 0.002 0.000 0.230 457 S C 2.070 176.593 174.600 -0.128 0.000 0.978 457 S CA 0.706 58.383 58.200 -0.872 0.000 0.934 457 S CB -0.220 62.296 63.200 -1.140 0.000 0.766 457 S HN 0.334 nan 8.310 nan 0.000 0.533 458 L N 2.007 123.215 121.223 -0.026 0.000 2.554 458 L HA 0.151 4.492 4.340 0.002 0.000 0.226 458 L C 1.201 178.197 176.870 0.209 0.000 1.137 458 L CA 0.394 55.307 54.840 0.121 0.000 0.863 458 L CB -1.011 41.147 42.059 0.165 0.000 0.985 458 L HN 0.456 nan 8.230 nan 0.000 0.451 459 T N -4.232 110.428 114.554 0.176 0.000 2.925 459 T HA 0.320 4.671 4.350 0.002 0.000 0.285 459 T C -1.652 173.209 174.700 0.269 0.000 1.021 459 T CA -2.012 60.210 62.100 0.204 0.000 1.042 459 T CB 1.974 70.907 68.868 0.109 0.000 1.037 459 T HN -0.198 nan 8.240 nan 0.000 0.481 460 P HA -0.094 nan 4.420 nan 0.000 0.220 460 P C 1.794 179.293 177.300 0.331 0.000 1.148 460 P CA 1.090 64.384 63.100 0.324 0.000 0.803 460 P CB -0.329 31.508 31.700 0.229 0.000 0.782 461 V N -3.778 116.278 119.914 0.236 0.000 2.626 461 V HA -0.184 3.937 4.120 0.002 0.000 0.252 461 V C 2.371 178.558 176.094 0.154 0.000 1.067 461 V CA 1.168 63.581 62.300 0.187 0.000 1.081 461 V CB -2.244 29.624 31.823 0.075 0.000 0.686 461 V HN -0.115 nan 8.190 nan 0.000 0.468 462 F N 1.702 121.621 119.950 -0.051 0.000 2.161 462 F HA -0.146 4.382 4.527 0.002 0.000 0.300 462 F C 2.406 178.285 175.800 0.130 0.000 1.089 462 F CA 2.128 60.093 58.000 -0.058 0.000 1.282 462 F CB -0.215 38.618 39.000 -0.277 0.000 1.010 462 F HN 0.279 nan 8.300 nan 0.000 0.485 463 H N -0.921 118.470 119.070 0.534 0.000 2.533 463 H HA 0.120 4.677 4.556 0.002 0.000 0.271 463 H C 0.211 175.786 175.328 0.411 0.000 1.000 463 H CA 0.198 56.516 56.048 0.450 0.000 1.149 463 H CB -0.168 29.845 29.762 0.418 0.000 1.375 463 H HN 0.257 nan 8.280 nan 0.000 0.582 464 Q N 1.894 121.965 119.800 0.452 0.000 2.347 464 Q HA 0.171 4.512 4.340 0.002 0.000 0.262 464 Q C -0.611 175.618 176.000 0.382 0.000 0.980 464 Q CA -0.438 55.591 55.803 0.375 0.000 0.867 464 Q CB 0.846 29.772 28.738 0.314 0.000 1.242 464 Q HN 0.220 nan 8.270 nan 0.000 0.453 465 E N 3.381 123.757 120.200 0.293 0.000 2.398 465 E HA 0.255 4.607 4.350 0.002 0.000 0.263 465 E C -0.469 176.261 176.600 0.217 0.000 1.046 465 E CA 0.305 56.830 56.400 0.208 0.000 0.908 465 E CB 0.822 30.626 29.700 0.172 0.000 0.963 465 E HN 0.597 nan 8.360 nan 0.000 0.431 466 M N 1.410 121.137 119.600 0.212 0.000 2.572 466 M HA 0.415 4.896 4.480 0.002 0.000 0.299 466 M C -1.193 175.213 176.300 0.177 0.000 1.205 466 M CA -1.041 54.394 55.300 0.225 0.000 0.876 466 M CB 2.369 35.159 32.600 0.316 0.000 1.728 466 M HN 0.162 nan 8.290 nan 0.000 0.458 467 V N 1.732 121.760 119.914 0.190 0.000 2.495 467 V HA 0.482 4.603 4.120 0.002 0.000 0.298 467 V C -0.745 175.463 176.094 0.191 0.000 1.031 467 V CA -0.754 61.685 62.300 0.232 0.000 0.871 467 V CB 1.791 33.813 31.823 0.332 0.000 0.988 467 V HN 0.797 nan 8.190 nan 0.000 0.432 468 N N 3.700 122.502 118.700 0.171 0.000 2.372 468 N HA 0.671 5.413 4.740 0.002 0.000 0.291 468 N C -1.261 174.327 175.510 0.131 0.000 1.024 468 N CA -0.394 52.670 53.050 0.024 0.000 0.873 468 N CB 1.409 39.922 38.487 0.042 0.000 1.206 468 N HN 0.671 nan 8.380 nan 0.000 0.486 469 Y N 0.221 120.539 120.300 0.031 0.000 2.677 469 Y HA 0.551 5.102 4.550 0.002 0.000 0.334 469 Y C -1.052 174.851 175.900 0.005 0.000 1.196 469 Y CA -1.237 56.875 58.100 0.020 0.000 1.059 469 Y CB 0.816 39.293 38.460 0.028 0.000 1.315 469 Y HN 0.196 nan 8.280 nan 0.000 0.455 470 I N 3.576 124.237 120.570 0.152 0.000 2.304 470 I HA 0.386 4.557 4.170 0.002 0.000 0.291 470 I C -0.649 175.536 176.117 0.113 0.000 1.018 470 I CA -0.433 60.903 61.300 0.060 0.000 1.260 470 I CB 0.910 38.929 38.000 0.032 0.000 1.390 470 I HN 0.425 nan 8.210 nan 0.000 0.475 471 L N 4.852 126.113 121.223 0.063 0.000 2.334 471 L HA 0.562 4.903 4.340 0.002 0.000 0.270 471 L C 0.110 176.989 176.870 0.014 0.000 1.018 471 L CA -0.514 54.370 54.840 0.074 0.000 0.811 471 L CB 1.989 44.089 42.059 0.068 0.000 1.271 471 L HN 0.521 nan 8.230 nan 0.000 0.443 472 S N 1.030 116.747 115.700 0.029 0.000 2.513 472 S HA 0.617 5.088 4.470 0.002 0.000 0.299 472 S C -2.578 172.048 174.600 0.042 0.000 1.087 472 S CA -1.445 56.759 58.200 0.007 0.000 1.012 472 S CB 1.864 65.079 63.200 0.026 0.000 1.044 472 S HN 0.230 nan 8.310 nan 0.000 0.485 473 P HA 0.365 nan 4.420 nan 0.000 0.267 473 P C -1.334 175.862 177.300 -0.173 0.000 1.201 473 P CA 0.044 63.074 63.100 -0.117 0.000 0.775 473 P CB 0.502 32.102 31.700 -0.166 0.000 0.854 474 A N 1.813 124.488 122.820 -0.241 0.000 2.606 474 A HA 0.689 5.010 4.320 0.002 0.000 0.293 474 A C -1.554 175.815 177.584 -0.358 0.000 1.082 474 A CA -0.502 51.392 52.037 -0.238 0.000 0.685 474 A CB 0.842 19.768 19.000 -0.123 0.000 1.284 474 A HN 0.342 nan 8.150 nan 0.000 0.408 475 F N 1.113 120.979 119.950 -0.141 0.000 2.408 475 F HA 0.662 5.190 4.527 0.002 0.000 0.344 475 F C 1.029 176.713 175.800 -0.194 0.000 1.112 475 F CA 0.159 58.072 58.000 -0.145 0.000 1.096 475 F CB 1.695 40.578 39.000 -0.196 0.000 1.129 475 F HN 0.530 nan 8.300 nan 0.000 0.486 476 R N 1.830 122.337 120.500 0.011 0.000 2.837 476 R HA 0.430 4.771 4.340 0.002 0.000 0.271 476 R C -1.532 174.714 176.300 -0.090 0.000 0.993 476 R CA -1.250 54.776 56.100 -0.125 0.000 0.931 476 R CB 1.841 32.106 30.300 -0.058 0.000 1.206 476 R HN 0.412 nan 8.270 nan 0.000 0.474 477 Y N 1.282 121.599 120.300 0.029 0.000 2.314 477 Y HA 0.151 4.703 4.550 0.002 0.000 0.334 477 Y C 0.713 176.610 175.900 -0.004 0.000 1.266 477 Y CA -0.164 57.945 58.100 0.014 0.000 1.391 477 Y CB 0.759 39.214 38.460 -0.008 0.000 1.306 477 Y HN 0.439 nan 8.280 nan 0.000 0.558 478 Q N 0.581 120.476 119.800 0.160 0.000 2.462 478 Q HA 0.640 4.982 4.340 0.002 0.000 0.285 478 Q C -3.061 172.911 176.000 -0.046 0.000 1.035 478 Q CA -2.390 53.436 55.803 0.039 0.000 0.799 478 Q CB 1.588 30.339 28.738 0.021 0.000 1.452 478 Q HN 0.302 nan 8.270 nan 0.000 0.404 479 P HA 0.096 nan 4.420 nan 0.000 0.269 479 P C -0.970 176.124 177.300 -0.343 0.000 1.209 479 P CA -0.009 62.970 63.100 -0.202 0.000 0.776 479 P CB 0.367 31.959 31.700 -0.180 0.000 0.876 480 D N 3.239 123.316 120.400 -0.539 0.000 2.443 480 D HA -0.004 4.637 4.640 0.002 0.000 0.239 480 D C -1.089 174.606 176.300 -1.009 0.000 1.136 480 D CA -0.869 52.541 54.000 -0.984 0.000 0.879 480 D CB 0.298 40.141 40.800 -1.594 0.000 1.195 480 D HN 0.304 nan 8.370 nan 0.000 0.443 481 P HA -0.043 nan 4.420 nan 0.000 0.230 481 P C 0.048 176.903 177.300 -0.742 0.000 1.158 481 P CA 0.623 63.231 63.100 -0.821 0.000 0.769 481 P CB 0.103 31.258 31.700 -0.907 0.000 0.807 482 W N 0.000 120.863 121.300 -0.728 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.106 57.345 -0.398 0.000 1.226 482 W CB 0.000 29.254 29.460 -0.343 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535