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 2vgi_1_A DATA FIRST_RESID 57 DATA SEQUENCE QQQQLPAAMA DTFLEHLCLL DIDSEPVAAR STSIIATIGP ASRSVERLKE DATA SEQUENCE MIKAGMNIAR LNFSHGSHEY HAESIANVRE AVESFAGSPL SYRPVAIALD DATA SEQUENCE TKGPEIRTGI LQGGPESEVE LVKGSQVLVT VDPAFRTRGN ANTVWVDYPN DATA SEQUENCE IVRVVPVGGR IYIDDGLISL VVQKIGPEGL VTQVENGGVL GSRKGVNLPG DATA SEQUENCE AQVDLPGLSE QDVRDLRFGV EHGVDIVFAS FVRKASDVAA VRAALGPEGH DATA SEQUENCE GIKIISKIEN HEGVKRFDEI LEVSDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNLAGKP VVCATQMLES MITKPRPTRA ETSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGNFPVE AVKMQHAIAR EAEAAVYHRQ LFEELRRAAP LSRDPTEVTA DATA SEQUENCE IGAVEAAFKC CAAAIIVLTT TGRSAQLLSW YRPRAAVIAV TRSAQAARQV DATA SEQUENCE HLCRGVFPLL YREPPEAIWA DDVDRRVQFG IESGKLRGFL RVGDLVIVVT DATA SEQUENCE GWRPGSGYTN IMRVLSI 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 176.018 176.000 0.030 0.000 1.003 57 Q CA 0.000 55.820 55.803 0.028 0.000 1.022 57 Q CB 0.000 28.760 28.738 0.036 0.000 1.108 58 Q N 0.087 119.909 119.800 0.037 0.000 2.293 58 Q HA 0.411 4.750 4.340 -0.002 0.000 0.216 58 Q C -0.479 175.553 176.000 0.054 0.000 1.003 58 Q CA -0.570 55.257 55.803 0.040 0.000 0.995 58 Q CB 0.543 29.304 28.738 0.038 0.000 1.172 58 Q HN 0.503 nan 8.270 nan 0.000 0.518 59 Q N 0.614 120.448 119.800 0.057 0.000 2.346 59 Q HA -0.369 3.970 4.340 -0.002 0.000 0.302 59 Q C -0.701 175.358 176.000 0.099 0.000 1.196 59 Q CA 0.631 56.480 55.803 0.078 0.000 0.929 59 Q CB -1.464 27.328 28.738 0.089 0.000 1.245 59 Q HN 0.480 nan 8.270 nan 0.000 0.502 60 Q N -2.727 117.118 119.800 0.076 0.000 2.494 60 Q HA -0.248 4.091 4.340 -0.002 0.000 0.266 60 Q C 0.793 176.865 176.000 0.120 0.000 1.053 60 Q CA 1.237 57.088 55.803 0.080 0.000 1.029 60 Q CB -1.484 27.305 28.738 0.086 0.000 1.423 60 Q HN 0.465 nan 8.270 nan 0.000 0.516 61 L N 0.294 121.584 121.223 0.111 0.000 2.021 61 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 61 L C -0.308 176.635 176.870 0.121 0.000 1.074 61 L CA 2.962 57.877 54.840 0.124 0.000 0.760 61 L CB -2.007 40.110 42.059 0.096 0.000 0.889 61 L HN 0.245 nan 8.230 nan 0.000 0.433 62 P HA -0.085 nan 4.420 nan 0.000 0.215 62 P C 1.566 178.920 177.300 0.090 0.000 1.157 62 P CA 1.794 64.936 63.100 0.071 0.000 0.859 62 P CB -0.140 31.582 31.700 0.036 0.000 0.786 63 A N 0.014 122.873 122.820 0.066 0.000 2.139 63 A HA -0.131 4.188 4.320 -0.002 0.000 0.221 63 A C 2.217 180.027 177.584 0.378 0.000 1.159 63 A CA 1.950 54.039 52.037 0.086 0.000 0.662 63 A CB -1.552 17.369 19.000 -0.130 0.000 0.796 63 A HN 0.227 nan 8.150 nan 0.000 0.463 64 A N -2.052 120.964 122.820 0.327 0.000 2.119 64 A HA 0.228 4.547 4.320 -0.002 0.000 0.216 64 A C 1.764 179.554 177.584 0.343 0.000 1.152 64 A CA 1.399 53.674 52.037 0.396 0.000 0.708 64 A CB -0.223 18.956 19.000 0.299 0.000 0.805 64 A HN 0.411 nan 8.150 nan 0.000 0.460 65 M N -0.411 119.344 119.600 0.257 0.000 2.428 65 M HA 0.370 4.849 4.480 -0.002 0.000 0.239 65 M C 0.850 177.268 176.300 0.196 0.000 1.121 65 M CA -0.045 55.368 55.300 0.187 0.000 1.019 65 M CB 0.042 32.716 32.600 0.123 0.000 1.485 65 M HN 0.300 nan 8.290 nan 0.000 0.484 66 A N 0.137 123.107 122.820 0.249 0.000 2.462 66 A HA 0.086 4.405 4.320 -0.002 0.000 0.243 66 A C 0.897 178.616 177.584 0.225 0.000 1.076 66 A CA -0.155 51.984 52.037 0.170 0.000 0.773 66 A CB 0.118 19.169 19.000 0.084 0.000 1.010 66 A HN 0.418 nan 8.150 nan 0.000 0.493 67 D N 0.223 120.707 120.400 0.140 0.000 2.219 67 D HA -0.068 4.571 4.640 -0.002 0.000 0.205 67 D C 1.100 177.501 176.300 0.168 0.000 0.970 67 D CA 2.009 56.090 54.000 0.135 0.000 0.851 67 D CB 0.121 40.967 40.800 0.077 0.000 0.943 67 D HN 0.772 nan 8.370 nan 0.000 0.488 68 T N -3.883 110.757 114.554 0.143 0.000 2.858 68 T HA 0.264 4.613 4.350 -0.002 0.000 0.285 68 T C 0.713 175.479 174.700 0.111 0.000 1.052 68 T CA -0.896 61.297 62.100 0.156 0.000 1.009 68 T CB 1.196 70.120 68.868 0.093 0.000 1.241 68 T HN -0.076 nan 8.240 nan 0.000 0.542 69 F N 0.114 120.050 119.950 -0.023 0.000 2.146 69 F HA 0.044 4.569 4.527 -0.003 0.000 0.298 69 F C 2.003 177.749 175.800 -0.090 0.000 1.096 69 F CA 0.874 58.783 58.000 -0.151 0.000 1.275 69 F CB -0.080 38.903 39.000 -0.029 0.000 1.008 69 F HN 0.453 nan 8.300 nan 0.000 0.480 70 L N 1.223 122.331 121.223 -0.192 0.000 2.012 70 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 70 L C 2.342 179.065 176.870 -0.244 0.000 1.073 70 L CA 2.238 56.914 54.840 -0.274 0.000 0.748 70 L CB -1.128 40.863 42.059 -0.114 0.000 0.891 70 L HN 0.356 nan 8.230 nan 0.000 0.431 71 E N -1.783 118.333 120.200 -0.141 0.000 2.110 71 E HA -0.335 4.014 4.350 -0.002 0.000 0.193 71 E C 2.213 178.725 176.600 -0.147 0.000 0.988 71 E CA 1.275 57.612 56.400 -0.106 0.000 0.804 71 E CB -0.196 29.483 29.700 -0.035 0.000 0.745 71 E HN 0.749 nan 8.360 nan 0.000 0.458 72 H N 0.568 119.441 119.070 -0.327 0.000 2.290 72 H HA -0.142 4.413 4.556 -0.002 0.000 0.298 72 H C 2.003 177.117 175.328 -0.356 0.000 1.087 72 H CA 2.268 58.070 56.048 -0.410 0.000 1.291 72 H CB -0.341 28.943 29.762 -0.797 0.000 1.369 72 H HN 0.148 nan 8.280 nan 0.000 0.492 73 L N -0.527 120.308 121.223 -0.645 0.000 1.955 73 L HA -0.252 4.086 4.340 -0.002 0.000 0.213 73 L C 2.794 179.442 176.870 -0.371 0.000 1.072 73 L CA 1.460 55.960 54.840 -0.566 0.000 0.755 73 L CB -1.075 40.685 42.059 -0.500 0.000 0.888 73 L HN 0.421 nan 8.230 nan 0.000 0.432 74 C N 0.087 119.220 119.300 -0.277 0.000 2.396 74 C HA -0.201 4.258 4.460 -0.002 0.000 0.288 74 C C 2.576 177.469 174.990 -0.162 0.000 1.253 74 C CA 0.859 59.767 59.018 -0.183 0.000 1.834 74 C CB -1.194 26.463 27.740 -0.139 0.000 2.035 74 C HN 0.426 nan 8.230 nan 0.000 0.514 75 L N -0.856 120.245 121.223 -0.203 0.000 2.616 75 L HA 0.209 4.548 4.340 -0.002 0.000 0.229 75 L C 0.647 177.421 176.870 -0.160 0.000 1.110 75 L CA -0.105 54.644 54.840 -0.152 0.000 0.884 75 L CB -0.196 41.799 42.059 -0.107 0.000 1.115 75 L HN 0.257 nan 8.230 nan 0.000 0.481 76 L N 1.246 122.330 121.223 -0.231 0.000 2.540 76 L HA -0.035 4.303 4.340 -0.002 0.000 0.276 76 L C -0.042 176.766 176.870 -0.103 0.000 1.212 76 L CA 0.546 55.280 54.840 -0.178 0.000 0.893 76 L CB 0.030 41.967 42.059 -0.204 0.000 1.138 76 L HN 0.005 nan 8.230 nan 0.000 0.491 77 D N 3.003 123.363 120.400 -0.066 0.000 2.502 77 D HA 0.286 4.925 4.640 -0.002 0.000 0.249 77 D C 0.604 176.886 176.300 -0.030 0.000 1.092 77 D CA -0.538 53.436 54.000 -0.042 0.000 0.839 77 D CB 1.691 42.475 40.800 -0.026 0.000 1.264 77 D HN 0.422 nan 8.370 nan 0.000 0.511 78 I N -0.585 119.968 120.570 -0.028 0.000 3.684 78 I HA 0.210 4.379 4.170 -0.002 0.000 0.304 78 I C 0.122 176.232 176.117 -0.012 0.000 1.278 78 I CA 0.164 61.451 61.300 -0.021 0.000 1.272 78 I CB 0.253 38.239 38.000 -0.022 0.000 1.029 78 I HN 0.002 nan 8.210 nan 0.000 0.458 79 D N 1.121 121.515 120.400 -0.010 0.000 2.501 79 D HA 0.087 4.726 4.640 -0.002 0.000 0.226 79 D C 0.575 176.876 176.300 0.001 0.000 1.198 79 D CA 0.278 54.276 54.000 -0.004 0.000 0.830 79 D CB 0.804 41.601 40.800 -0.004 0.000 1.014 79 D HN 0.128 nan 8.370 nan 0.000 0.496 80 S N 1.539 117.239 115.700 0.001 0.000 3.700 80 S HA 0.036 4.505 4.470 -0.002 0.000 0.192 80 S C 0.141 174.750 174.600 0.016 0.000 1.430 80 S CA -0.551 57.655 58.200 0.010 0.000 0.999 80 S CB -0.246 62.961 63.200 0.011 0.000 1.411 80 S HN -0.083 nan 8.310 nan 0.000 0.491 81 E N 3.906 124.115 120.200 0.016 0.000 2.966 81 E HA 0.002 4.350 4.350 -0.002 0.000 0.254 81 E C -2.069 174.548 176.600 0.027 0.000 0.923 81 E CA -1.145 55.267 56.400 0.020 0.000 0.960 81 E CB -0.309 29.404 29.700 0.021 0.000 0.901 81 E HN 0.439 nan 8.360 nan 0.000 0.525 82 P HA 0.090 nan 4.420 nan 0.000 0.272 82 P C -0.279 177.046 177.300 0.041 0.000 1.254 82 P CA -0.264 62.858 63.100 0.035 0.000 0.795 82 P CB 0.661 32.376 31.700 0.024 0.000 1.022 83 V N -0.112 119.831 119.914 0.048 0.000 3.921 83 V HA 0.533 4.652 4.120 -0.002 0.000 0.276 83 V C -0.907 175.216 176.094 0.048 0.000 0.894 83 V CA 0.158 62.488 62.300 0.049 0.000 1.302 83 V CB 0.469 32.317 31.823 0.043 0.000 0.764 83 V HN 0.919 nan 8.190 nan 0.000 0.489 84 A N 2.837 125.691 122.820 0.055 0.000 2.590 84 A HA 0.910 5.229 4.320 -0.002 0.000 0.294 84 A C -0.375 177.246 177.584 0.062 0.000 1.046 84 A CA 0.038 52.095 52.037 0.033 0.000 0.684 84 A CB 1.202 20.223 19.000 0.034 0.000 1.279 84 A HN 1.800 nan 8.150 nan 0.000 0.415 85 A N 1.155 123.978 122.820 0.004 0.000 2.477 85 A HA 0.543 4.862 4.320 -0.002 0.000 0.246 85 A C 0.776 178.491 177.584 0.218 0.000 1.078 85 A CA 0.450 52.563 52.037 0.127 0.000 0.770 85 A CB -0.119 18.798 19.000 -0.137 0.000 1.011 85 A HN 1.570 nan 8.150 nan 0.000 0.494 86 R N 1.505 122.158 120.500 0.255 0.000 2.570 86 R HA 0.216 4.555 4.340 -0.002 0.000 0.277 86 R C 0.349 176.778 176.300 0.216 0.000 1.039 86 R CA 0.750 56.949 56.100 0.165 0.000 1.065 86 R CB 0.347 30.686 30.300 0.065 0.000 0.964 86 R HN 0.648 nan 8.270 nan 0.000 0.428 87 S N 0.765 116.545 115.700 0.135 0.000 2.559 87 S HA 0.074 4.543 4.470 -0.002 0.000 0.226 87 S C -0.160 174.446 174.600 0.011 0.000 1.000 87 S CA -0.515 57.726 58.200 0.069 0.000 0.948 87 S CB 0.447 63.716 63.200 0.115 0.000 0.870 87 S HN 0.652 nan 8.310 nan 0.000 0.497 88 T N 2.883 117.456 114.554 0.031 0.000 2.817 88 T HA 0.453 4.802 4.350 -0.002 0.000 0.293 88 T C 0.052 174.759 174.700 0.011 0.000 0.964 88 T CA -0.170 61.943 62.100 0.021 0.000 1.085 88 T CB 1.373 70.257 68.868 0.027 0.000 0.921 88 T HN 0.154 nan 8.240 nan 0.000 0.502 89 S N 2.047 117.747 115.700 -0.000 0.000 2.601 89 S HA 0.462 4.931 4.470 -0.002 0.000 0.271 89 S C 0.184 174.777 174.600 -0.012 0.000 1.305 89 S CA -0.671 57.515 58.200 -0.024 0.000 1.022 89 S CB 0.265 63.456 63.200 -0.016 0.000 0.940 89 S HN 0.492 nan 8.310 nan 0.000 0.525 90 I N 3.041 123.591 120.570 -0.033 0.000 2.339 90 I HA 0.373 4.542 4.170 -0.002 0.000 0.290 90 I C -0.797 175.311 176.117 -0.015 0.000 0.994 90 I CA -0.371 60.922 61.300 -0.011 0.000 1.191 90 I CB 1.123 39.124 38.000 0.002 0.000 1.343 90 I HN 0.426 nan 8.210 nan 0.000 0.458 91 I N 5.932 126.511 120.570 0.015 0.000 2.336 91 I HA 0.481 4.650 4.170 -0.002 0.000 0.292 91 I C 0.287 176.425 176.117 0.035 0.000 0.991 91 I CA -0.041 61.287 61.300 0.047 0.000 1.227 91 I CB 1.584 39.636 38.000 0.086 0.000 1.366 91 I HN 0.598 nan 8.210 nan 0.000 0.466 92 A N 4.452 127.298 122.820 0.043 0.000 2.330 92 A HA 0.733 5.052 4.320 -0.002 0.000 0.327 92 A C -0.211 177.412 177.584 0.065 0.000 1.155 92 A CA -0.481 51.582 52.037 0.044 0.000 0.803 92 A CB 0.817 19.838 19.000 0.035 0.000 1.208 92 A HN 0.602 nan 8.150 nan 0.000 0.477 93 T N 3.566 118.158 114.554 0.063 0.000 2.817 93 T HA 0.369 4.717 4.350 -0.002 0.000 0.293 93 T C 0.320 175.070 174.700 0.084 0.000 0.964 93 T CA -0.092 62.059 62.100 0.084 0.000 1.085 93 T CB 0.182 69.097 68.868 0.080 0.000 0.921 93 T HN 0.392 nan 8.240 nan 0.000 0.502 94 I N 3.442 124.072 120.570 0.100 0.000 2.441 94 I HA 0.511 4.679 4.170 -0.002 0.000 0.287 94 I C 0.993 177.189 176.117 0.131 0.000 1.049 94 I CA 0.159 61.518 61.300 0.097 0.000 1.381 94 I CB 0.407 38.461 38.000 0.090 0.000 1.409 94 I HN 0.789 nan 8.210 nan 0.000 0.523 95 G N 7.021 115.886 108.800 0.108 0.000 2.782 95 G HA2 0.521 4.480 3.960 -0.002 0.000 0.304 95 G HA3 0.521 4.480 3.960 -0.002 0.000 0.304 95 G C -2.532 172.428 174.900 0.100 0.000 1.315 95 G CA -0.401 44.778 45.100 0.132 0.000 0.791 95 G HN 0.268 nan 8.290 nan 0.000 0.519 96 P HA -0.028 nan 4.420 nan 0.000 0.216 96 P C 1.941 179.257 177.300 0.026 0.000 1.153 96 P CA 2.090 65.227 63.100 0.062 0.000 0.848 96 P CB 0.014 31.738 31.700 0.039 0.000 0.787 97 A N -0.102 122.728 122.820 0.017 0.000 2.178 97 A HA -0.056 4.263 4.320 -0.002 0.000 0.218 97 A C 1.510 179.099 177.584 0.008 0.000 1.157 97 A CA 1.739 53.776 52.037 -0.000 0.000 0.689 97 A CB -1.000 17.996 19.000 -0.007 0.000 0.787 97 A HN 0.369 nan 8.150 nan 0.000 0.465 98 S N -2.673 113.039 115.700 0.021 0.000 2.828 98 S HA 0.411 4.880 4.470 -0.002 0.000 0.240 98 S C 0.448 175.059 174.600 0.019 0.000 0.912 98 S CA -0.328 57.886 58.200 0.022 0.000 1.100 98 S CB 0.045 63.264 63.200 0.032 0.000 1.271 98 S HN 0.449 nan 8.310 nan 0.000 0.476 99 R N 1.686 122.189 120.500 0.006 0.000 2.225 99 R HA 0.234 4.572 4.340 -0.002 0.000 0.194 99 R C 0.939 177.226 176.300 -0.020 0.000 0.957 99 R CA 0.805 56.894 56.100 -0.019 0.000 1.042 99 R CB 0.254 30.525 30.300 -0.049 0.000 1.004 99 R HN 0.580 nan 8.270 nan 0.000 0.509 100 S N -0.364 115.330 115.700 -0.010 0.000 2.563 100 S HA -0.024 4.445 4.470 -0.002 0.000 0.284 100 S C 1.416 176.018 174.600 0.003 0.000 1.331 100 S CA -0.485 57.711 58.200 -0.007 0.000 1.047 100 S CB 1.476 64.674 63.200 -0.003 0.000 0.859 100 S HN -0.011 nan 8.310 nan 0.000 0.514 101 V N 2.578 122.494 119.914 0.004 0.000 2.515 101 V HA -0.078 4.041 4.120 -0.002 0.000 0.250 101 V C 2.665 178.770 176.094 0.018 0.000 1.058 101 V CA 1.887 64.195 62.300 0.013 0.000 1.064 101 V CB -0.949 30.878 31.823 0.007 0.000 0.675 101 V HN 0.838 nan 8.190 nan 0.000 0.461 102 E N 0.120 120.326 120.200 0.010 0.000 2.072 102 E HA -0.185 4.163 4.350 -0.002 0.000 0.190 102 E C 2.311 178.927 176.600 0.026 0.000 0.982 102 E CA 1.016 57.423 56.400 0.012 0.000 0.803 102 E CB -0.215 29.487 29.700 0.003 0.000 0.755 102 E HN 0.497 nan 8.360 nan 0.000 0.453 103 R N 0.363 120.877 120.500 0.022 0.000 2.066 103 R HA -0.101 4.238 4.340 -0.002 0.000 0.232 103 R C 2.264 178.588 176.300 0.040 0.000 1.131 103 R CA 0.732 56.848 56.100 0.027 0.000 0.955 103 R CB -0.343 29.967 30.300 0.017 0.000 0.851 103 R HN 0.053 nan 8.270 nan 0.000 0.432 104 L N 1.440 122.688 121.223 0.041 0.000 1.971 104 L HA -0.216 4.123 4.340 -0.002 0.000 0.215 104 L C 1.991 178.912 176.870 0.085 0.000 1.072 104 L CA 1.944 56.816 54.840 0.053 0.000 0.758 104 L CB -1.159 40.931 42.059 0.051 0.000 0.889 104 L HN 0.232 nan 8.230 nan 0.000 0.433 105 K N -0.434 120.033 120.400 0.113 0.000 2.066 105 K HA -0.301 4.018 4.320 -0.002 0.000 0.221 105 K C 1.910 178.621 176.600 0.185 0.000 1.056 105 K CA 2.364 58.770 56.287 0.199 0.000 0.950 105 K CB -0.289 32.276 32.500 0.109 0.000 0.726 105 K HN 0.430 nan 8.250 nan 0.000 0.456 106 E N 0.299 120.563 120.200 0.107 0.000 2.038 106 E HA -0.198 4.151 4.350 -0.002 0.000 0.195 106 E C 2.070 178.702 176.600 0.053 0.000 1.000 106 E CA 1.665 58.114 56.400 0.080 0.000 0.803 106 E CB -0.111 29.623 29.700 0.057 0.000 0.750 106 E HN 0.309 nan 8.360 nan 0.000 0.448 107 M N 0.318 119.943 119.600 0.042 0.000 2.346 107 M HA -0.161 4.317 4.480 -0.002 0.000 0.263 107 M C 2.068 178.360 176.300 -0.014 0.000 1.064 107 M CA 0.993 56.304 55.300 0.019 0.000 1.083 107 M CB -0.134 32.481 32.600 0.024 0.000 1.399 107 M HN 0.181 nan 8.290 nan 0.000 0.435 108 I N -0.138 120.420 120.570 -0.020 0.000 2.235 108 I HA -0.215 3.953 4.170 -0.002 0.000 0.241 108 I C 2.174 178.202 176.117 -0.149 0.000 1.085 108 I CA 1.184 62.423 61.300 -0.102 0.000 1.378 108 I CB -0.585 37.328 38.000 -0.145 0.000 1.076 108 I HN 0.251 nan 8.210 nan 0.000 0.415 109 K N 1.156 121.489 120.400 -0.112 0.000 2.173 109 K HA -0.192 4.126 4.320 -0.002 0.000 0.207 109 K C 1.990 178.528 176.600 -0.103 0.000 1.046 109 K CA 1.653 57.877 56.287 -0.105 0.000 0.929 109 K CB -0.201 32.310 32.500 0.019 0.000 0.720 109 K HN 0.325 nan 8.250 nan 0.000 0.453 110 A N -0.252 122.522 122.820 -0.076 0.000 2.167 110 A HA 0.108 4.426 4.320 -0.002 0.000 0.214 110 A C 1.476 178.967 177.584 -0.154 0.000 1.151 110 A CA 1.251 53.234 52.037 -0.089 0.000 0.735 110 A CB -0.054 18.930 19.000 -0.027 0.000 0.802 110 A HN 0.453 nan 8.150 nan 0.000 0.467 111 G N -2.152 106.561 108.800 -0.145 0.000 2.227 111 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.168 111 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.168 111 G C 0.277 175.124 174.900 -0.087 0.000 1.006 111 G CA 0.033 45.052 45.100 -0.135 0.000 0.684 111 G HN 0.472 nan 8.290 nan 0.000 0.489 112 M N 0.446 119.999 119.600 -0.078 0.000 2.235 112 M HA 0.240 4.718 4.480 -0.002 0.000 0.316 112 M C 1.131 177.343 176.300 -0.147 0.000 1.035 112 M CA 1.706 56.960 55.300 -0.077 0.000 1.084 112 M CB 0.182 32.752 32.600 -0.049 0.000 1.529 112 M HN 0.266 nan 8.290 nan 0.000 0.440 113 N N 1.935 120.527 118.700 -0.181 0.000 2.249 113 N HA 0.390 5.129 4.740 -0.002 0.000 0.239 113 N C -0.995 174.364 175.510 -0.253 0.000 1.185 113 N CA -0.193 52.632 53.050 -0.375 0.000 0.825 113 N CB 0.887 39.021 38.487 -0.588 0.000 1.372 113 N HN 0.444 nan 8.380 nan 0.000 0.472 114 I N 0.836 121.343 120.570 -0.105 0.000 2.569 114 I HA 0.581 4.750 4.170 -0.002 0.000 0.290 114 I C -1.201 174.936 176.117 0.034 0.000 1.088 114 I CA -1.029 60.265 61.300 -0.010 0.000 1.047 114 I CB 2.152 40.186 38.000 0.056 0.000 1.237 114 I HN -0.071 nan 8.210 nan 0.000 0.421 115 A N 6.164 129.014 122.820 0.051 0.000 2.305 115 A HA 0.702 5.020 4.320 -0.002 0.000 0.322 115 A C -0.426 177.227 177.584 0.116 0.000 1.187 115 A CA -0.574 51.507 52.037 0.072 0.000 0.825 115 A CB 1.085 20.120 19.000 0.059 0.000 1.164 115 A HN 0.796 nan 8.150 nan 0.000 0.498 116 R N 2.947 123.534 120.500 0.145 0.000 2.310 116 R HA 0.518 4.857 4.340 -0.002 0.000 0.324 116 R C -1.306 175.092 176.300 0.163 0.000 0.955 116 R CA -0.468 55.754 56.100 0.203 0.000 0.830 116 R CB 0.547 30.984 30.300 0.229 0.000 1.154 116 R HN 0.748 nan 8.270 nan 0.000 0.458 117 L N 4.021 125.342 121.223 0.162 0.000 2.290 117 L HA 0.244 4.582 4.340 -0.002 0.000 0.284 117 L C 0.178 177.115 176.870 0.111 0.000 1.078 117 L CA -0.592 54.296 54.840 0.080 0.000 0.815 117 L CB 0.989 43.112 42.059 0.106 0.000 1.162 117 L HN 0.555 nan 8.230 nan 0.000 0.435 118 N N 3.089 121.816 118.700 0.044 0.000 2.801 118 N HA 0.138 4.877 4.740 -0.002 0.000 0.235 118 N C 0.258 175.821 175.510 0.088 0.000 1.069 118 N CA -0.387 52.745 53.050 0.138 0.000 0.946 118 N CB 0.210 38.808 38.487 0.186 0.000 1.212 118 N HN 0.325 nan 8.380 nan 0.000 0.509 119 F N 0.848 120.779 119.950 -0.032 0.000 2.753 119 F HA -0.004 4.522 4.527 -0.002 0.000 0.299 119 F C 2.048 177.868 175.800 0.033 0.000 1.265 119 F CA 0.342 58.356 58.000 0.023 0.000 1.453 119 F CB -0.208 38.784 39.000 -0.014 0.000 1.118 119 F HN 0.409 nan 8.300 nan 0.000 0.579 120 S N -1.826 113.918 115.700 0.073 0.000 2.489 120 S HA 0.001 4.470 4.470 -0.002 0.000 0.228 120 S C 0.355 174.623 174.600 -0.553 0.000 0.995 120 S CA 0.455 58.552 58.200 -0.172 0.000 0.934 120 S CB -0.154 62.930 63.200 -0.193 0.000 0.771 120 S HN 0.286 nan 8.310 nan 0.000 0.522 121 H N -0.375 118.716 119.070 0.036 0.000 2.806 121 H HA 0.516 5.071 4.556 -0.002 0.000 0.367 121 H C 0.320 175.545 175.328 -0.172 0.000 1.136 121 H CA -0.108 55.899 56.048 -0.068 0.000 1.178 121 H CB 1.380 31.083 29.762 -0.098 0.000 1.718 121 H HN 0.313 nan 8.280 nan 0.000 0.540 122 G N 1.435 110.111 108.800 -0.208 0.000 2.692 122 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.686 122 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.686 122 G C -0.040 174.620 174.900 -0.399 0.000 1.243 122 G CA -0.351 44.432 45.100 -0.530 0.000 0.782 122 G HN 0.830 nan 8.290 nan 0.000 0.625 123 S N 0.457 115.964 115.700 -0.321 0.000 2.596 123 S HA 0.355 4.823 4.470 -0.002 0.000 0.260 123 S C 1.359 175.876 174.600 -0.138 0.000 1.336 123 S CA 0.582 58.661 58.200 -0.202 0.000 0.993 123 S CB 0.787 63.919 63.200 -0.115 0.000 0.923 123 S HN 0.764 nan 8.310 nan 0.000 0.567 124 H N 1.249 120.251 119.070 -0.115 0.000 2.352 124 H HA -0.039 4.516 4.556 -0.002 0.000 0.299 124 H C 1.996 177.299 175.328 -0.042 0.000 1.097 124 H CA 2.078 57.997 56.048 -0.215 0.000 1.311 124 H CB -0.753 28.965 29.762 -0.073 0.000 1.377 124 H HN 0.738 nan 8.280 nan 0.000 0.504 125 E N 0.107 120.415 120.200 0.179 0.000 2.097 125 E HA -0.216 4.132 4.350 -0.002 0.000 0.196 125 E C 2.182 178.837 176.600 0.090 0.000 1.000 125 E CA 1.221 57.717 56.400 0.160 0.000 0.804 125 E CB -0.761 29.006 29.700 0.112 0.000 0.740 125 E HN 0.589 nan 8.360 nan 0.000 0.454 126 Y N 0.584 120.808 120.300 -0.126 0.000 2.181 126 Y HA -0.259 4.290 4.550 -0.002 0.000 0.288 126 Y C 2.174 177.938 175.900 -0.227 0.000 1.146 126 Y CA 1.929 59.889 58.100 -0.234 0.000 1.164 126 Y CB -0.033 38.184 38.460 -0.405 0.000 0.982 126 Y HN 0.175 nan 8.280 nan 0.000 0.515 127 H N -0.620 118.435 119.070 -0.024 0.000 2.470 127 H HA 0.125 4.679 4.556 -0.002 0.000 0.289 127 H C 2.339 177.715 175.328 0.080 0.000 1.033 127 H CA 0.798 56.802 56.048 -0.073 0.000 1.331 127 H CB -0.623 28.992 29.762 -0.244 0.000 1.414 127 H HN 0.508 nan 8.280 nan 0.000 0.545 128 A N 1.174 124.161 122.820 0.278 0.000 1.948 128 A HA -0.216 4.102 4.320 -0.002 0.000 0.220 128 A C 2.258 179.885 177.584 0.072 0.000 1.177 128 A CA 1.899 54.046 52.037 0.183 0.000 0.636 128 A CB -0.342 18.790 19.000 0.221 0.000 0.815 128 A HN 0.421 nan 8.150 nan 0.000 0.449 129 E N -0.571 119.627 120.200 -0.004 0.000 2.216 129 E HA -0.042 4.307 4.350 -0.002 0.000 0.192 129 E C 2.215 178.777 176.600 -0.065 0.000 0.988 129 E CA 0.867 57.235 56.400 -0.054 0.000 0.834 129 E CB 0.036 29.653 29.700 -0.138 0.000 0.772 129 E HN 0.611 nan 8.360 nan 0.000 0.479 130 S N 0.567 116.221 115.700 -0.076 0.000 2.357 130 S HA -0.082 4.387 4.470 -0.002 0.000 0.221 130 S C 1.982 176.600 174.600 0.030 0.000 1.031 130 S CA 0.662 58.839 58.200 -0.040 0.000 0.982 130 S CB -0.090 63.111 63.200 0.002 0.000 0.853 130 S HN 0.191 nan 8.310 nan 0.000 0.458 131 I N 2.123 122.734 120.570 0.068 0.000 2.127 131 I HA -0.245 3.924 4.170 -0.002 0.000 0.241 131 I C 2.757 178.910 176.117 0.060 0.000 1.075 131 I CA 1.245 62.590 61.300 0.075 0.000 1.334 131 I CB -0.597 37.451 38.000 0.080 0.000 1.040 131 I HN 0.258 nan 8.210 nan 0.000 0.405 132 A N 0.782 123.634 122.820 0.054 0.000 1.948 132 A HA -0.265 4.054 4.320 -0.002 0.000 0.220 132 A C 2.039 179.646 177.584 0.038 0.000 1.177 132 A CA 2.412 54.480 52.037 0.051 0.000 0.636 132 A CB -1.071 17.959 19.000 0.049 0.000 0.815 132 A HN 0.573 nan 8.150 nan 0.000 0.449 133 N N -0.620 118.094 118.700 0.024 0.000 2.173 133 N HA -0.045 4.694 4.740 -0.002 0.000 0.184 133 N C 1.642 177.173 175.510 0.036 0.000 1.025 133 N CA 1.013 54.075 53.050 0.020 0.000 0.852 133 N CB -0.181 38.305 38.487 -0.001 0.000 0.998 133 N HN 0.225 nan 8.380 nan 0.000 0.427 134 V N 2.101 122.040 119.914 0.041 0.000 2.220 134 V HA -0.318 3.801 4.120 -0.002 0.000 0.250 134 V C 2.215 178.345 176.094 0.061 0.000 1.056 134 V CA 1.790 64.119 62.300 0.050 0.000 1.016 134 V CB -0.598 31.255 31.823 0.051 0.000 0.639 134 V HN 0.301 nan 8.190 nan 0.000 0.446 135 R N -0.458 120.080 120.500 0.064 0.000 2.140 135 R HA -0.287 4.052 4.340 -0.002 0.000 0.250 135 R C 2.361 178.711 176.300 0.083 0.000 1.150 135 R CA 2.189 58.336 56.100 0.077 0.000 0.966 135 R CB -0.438 29.907 30.300 0.075 0.000 0.869 135 R HN 0.717 nan 8.270 nan 0.000 0.445 136 E N 0.478 120.718 120.200 0.066 0.000 2.028 136 E HA -0.162 4.187 4.350 -0.002 0.000 0.191 136 E C 2.060 178.700 176.600 0.066 0.000 0.988 136 E CA 0.992 57.427 56.400 0.058 0.000 0.799 136 E CB -0.073 29.649 29.700 0.037 0.000 0.755 136 E HN 0.355 nan 8.360 nan 0.000 0.447 137 A N 0.704 123.567 122.820 0.072 0.000 1.927 137 A HA -0.202 4.116 4.320 -0.002 0.000 0.220 137 A C 2.394 180.101 177.584 0.204 0.000 1.185 137 A CA 1.859 53.961 52.037 0.108 0.000 0.639 137 A CB -0.816 18.251 19.000 0.112 0.000 0.820 137 A HN 0.254 nan 8.150 nan 0.000 0.451 138 V N 0.143 120.153 119.914 0.161 0.000 2.358 138 V HA -0.137 3.981 4.120 -0.002 0.000 0.246 138 V C 2.053 178.284 176.094 0.230 0.000 1.047 138 V CA 1.880 64.275 62.300 0.158 0.000 1.035 138 V CB -0.685 31.170 31.823 0.054 0.000 0.658 138 V HN 0.512 nan 8.190 nan 0.000 0.452 139 E N 0.701 121.023 120.200 0.203 0.000 2.511 139 E HA -0.028 4.320 4.350 -0.002 0.000 0.196 139 E C 2.213 178.915 176.600 0.170 0.000 1.066 139 E CA 0.882 57.429 56.400 0.245 0.000 0.871 139 E CB -0.384 29.427 29.700 0.185 0.000 0.863 139 E HN 0.772 nan 8.360 nan 0.000 0.520 140 S N -0.328 115.428 115.700 0.094 0.000 2.474 140 S HA -0.064 4.405 4.470 -0.002 0.000 0.235 140 S C 1.104 175.565 174.600 -0.231 0.000 0.997 140 S CA 0.345 58.468 58.200 -0.128 0.000 0.949 140 S CB -0.403 62.616 63.200 -0.301 0.000 0.766 140 S HN 0.153 nan 8.310 nan 0.000 0.517 141 F N 1.032 121.028 119.950 0.076 0.000 2.668 141 F HA 0.632 5.158 4.527 -0.002 0.000 0.301 141 F C 1.894 177.821 175.800 0.212 0.000 1.106 141 F CA -0.703 57.355 58.000 0.096 0.000 1.289 141 F CB -0.391 38.637 39.000 0.047 0.000 1.006 141 F HN 0.212 nan 8.300 nan 0.000 0.535 142 A N 0.489 123.550 122.820 0.402 0.000 2.234 142 A HA -0.019 4.300 4.320 -0.002 0.000 0.216 142 A C 2.510 180.214 177.584 0.201 0.000 1.167 142 A CA 1.350 53.596 52.037 0.350 0.000 0.698 142 A CB -1.255 17.866 19.000 0.201 0.000 0.779 142 A HN 0.466 nan 8.150 nan 0.000 0.475 143 G N -1.300 107.606 108.800 0.177 0.000 2.527 143 G HA2 0.091 4.050 3.960 -0.002 0.000 0.219 143 G HA3 0.091 4.050 3.960 -0.002 0.000 0.219 143 G C 0.446 175.412 174.900 0.110 0.000 1.117 143 G CA 1.099 46.264 45.100 0.109 0.000 0.759 143 G HN 0.491 nan 8.290 nan 0.000 0.556 144 S N -0.604 115.187 115.700 0.152 0.000 2.382 144 S HA 0.343 4.812 4.470 -0.002 0.000 0.228 144 S C -2.111 172.583 174.600 0.158 0.000 0.996 144 S CA -0.680 57.596 58.200 0.126 0.000 1.094 144 S CB 2.190 65.454 63.200 0.107 0.000 1.209 144 S HN -0.126 nan 8.310 nan 0.000 0.420 145 P HA -0.122 nan 4.420 nan 0.000 0.218 145 P C 1.066 178.483 177.300 0.195 0.000 1.147 145 P CA 1.100 64.315 63.100 0.192 0.000 0.827 145 P CB 0.064 31.908 31.700 0.239 0.000 0.778 146 L N -1.875 119.405 121.223 0.096 0.000 2.313 146 L HA -0.025 4.314 4.340 -0.002 0.000 0.214 146 L C 2.319 179.191 176.870 0.004 0.000 1.119 146 L CA 1.439 56.266 54.840 -0.022 0.000 0.809 146 L CB -0.627 41.392 42.059 -0.066 0.000 0.933 146 L HN 0.070 nan 8.230 nan 0.000 0.449 147 S N -1.350 114.398 115.700 0.079 0.000 2.506 147 S HA -0.020 4.449 4.470 -0.002 0.000 0.219 147 S C 0.740 175.407 174.600 0.112 0.000 1.031 147 S CA -0.560 57.678 58.200 0.064 0.000 0.911 147 S CB -0.046 63.190 63.200 0.062 0.000 0.812 147 S HN 0.315 nan 8.310 nan 0.000 0.497 148 Y N 3.591 123.932 120.300 0.069 0.000 2.887 148 Y HA 0.041 4.590 4.550 -0.002 0.000 0.350 148 Y C 0.234 176.170 175.900 0.060 0.000 1.294 148 Y CA 0.641 58.793 58.100 0.086 0.000 1.622 148 Y CB 0.128 38.662 38.460 0.124 0.000 1.201 148 Y HN 0.145 nan 8.280 nan 0.000 0.546 149 R N 8.408 128.636 120.500 -0.453 0.000 2.272 149 R HA 0.329 4.668 4.340 -0.002 0.000 0.323 149 R C -2.462 173.567 176.300 -0.452 0.000 1.002 149 R CA -1.987 53.932 56.100 -0.302 0.000 0.900 149 R CB 0.750 30.909 30.300 -0.236 0.000 1.151 149 R HN 0.473 nan 8.270 nan 0.000 0.507 150 P HA 0.021 nan 4.420 nan 0.000 0.268 150 P C -0.778 176.551 177.300 0.048 0.000 1.208 150 P CA -0.171 62.878 63.100 -0.084 0.000 0.777 150 P CB 0.863 32.664 31.700 0.169 0.000 0.875 151 V N 1.150 121.089 119.914 0.042 0.000 2.841 151 V HA 0.607 4.726 4.120 -0.002 0.000 0.310 151 V C 0.142 176.279 176.094 0.073 0.000 1.090 151 V CA -0.897 61.424 62.300 0.036 0.000 0.930 151 V CB 1.983 33.786 31.823 -0.034 0.000 1.014 151 V HN 0.746 nan 8.190 nan 0.000 0.425 152 A N 5.154 128.017 122.820 0.072 0.000 2.287 152 A HA 0.838 5.157 4.320 -0.002 0.000 0.273 152 A C -0.504 177.100 177.584 0.033 0.000 1.091 152 A CA -0.329 51.745 52.037 0.061 0.000 0.817 152 A CB 0.414 19.449 19.000 0.057 0.000 1.069 152 A HN 0.708 nan 8.150 nan 0.000 0.492 153 I N 0.511 121.091 120.570 0.017 0.000 2.478 153 I HA 0.510 4.679 4.170 -0.002 0.000 0.287 153 I C 0.022 176.122 176.117 -0.029 0.000 1.042 153 I CA -0.277 61.036 61.300 0.021 0.000 1.067 153 I CB 1.770 39.797 38.000 0.044 0.000 1.233 153 I HN 0.684 nan 8.210 nan 0.000 0.431 154 A N 7.345 130.145 122.820 -0.034 0.000 2.343 154 A HA 0.710 5.029 4.320 -0.002 0.000 0.316 154 A C -1.062 176.493 177.584 -0.049 0.000 1.104 154 A CA -0.533 51.394 52.037 -0.184 0.000 0.768 154 A CB 1.601 20.363 19.000 -0.396 0.000 1.213 154 A HN 0.787 nan 8.150 nan 0.000 0.456 155 L N 2.858 124.024 121.223 -0.094 0.000 2.265 155 L HA 0.412 4.750 4.340 -0.002 0.000 0.289 155 L C -0.767 176.144 176.870 0.068 0.000 1.033 155 L CA -0.548 54.300 54.840 0.014 0.000 0.814 155 L CB 0.926 42.916 42.059 -0.116 0.000 1.203 155 L HN 0.721 nan 8.230 nan 0.000 0.423 156 D N 4.472 125.010 120.400 0.230 0.000 2.441 156 D HA 0.051 4.690 4.640 -0.002 0.000 0.221 156 D C 0.016 176.427 176.300 0.186 0.000 1.156 156 D CA -0.095 54.065 54.000 0.266 0.000 0.896 156 D CB 1.014 41.987 40.800 0.289 0.000 1.028 156 D HN 0.542 nan 8.370 nan 0.000 0.509 157 T N 2.567 117.184 114.554 0.105 0.000 2.939 157 T HA -0.109 4.240 4.350 -0.002 0.000 0.319 157 T C 1.247 176.024 174.700 0.128 0.000 1.082 157 T CA 0.235 62.377 62.100 0.071 0.000 1.133 157 T CB 0.794 69.681 68.868 0.031 0.000 1.019 157 T HN 0.457 nan 8.240 nan 0.000 0.548 158 K N 2.491 122.982 120.400 0.152 0.000 2.186 158 K HA 0.108 4.427 4.320 -0.002 0.000 0.202 158 K C 1.096 177.800 176.600 0.174 0.000 1.052 158 K CA 0.964 57.345 56.287 0.156 0.000 0.965 158 K CB -0.683 31.905 32.500 0.146 0.000 0.746 158 K HN 0.967 nan 8.250 nan 0.000 0.457 159 G N 1.335 110.236 108.800 0.168 0.000 2.806 159 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.236 159 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.236 159 G C -2.431 172.580 174.900 0.186 0.000 1.387 159 G CA -0.222 45.016 45.100 0.229 0.000 0.884 159 G HN 0.231 nan 8.290 nan 0.000 0.560 160 P HA 0.206 nan 4.420 nan 0.000 0.228 160 P C 0.448 177.658 177.300 -0.150 0.000 1.748 160 P CA 0.059 63.145 63.100 -0.024 0.000 0.909 160 P CB -0.367 31.281 31.700 -0.087 0.000 1.882 161 E N 1.113 121.293 120.200 -0.033 0.000 2.447 161 E HA 0.111 4.459 4.350 -0.002 0.000 0.259 161 E C 0.428 176.988 176.600 -0.067 0.000 1.196 161 E CA 0.010 56.381 56.400 -0.048 0.000 0.995 161 E CB 0.564 30.298 29.700 0.057 0.000 0.974 161 E HN 0.296 nan 8.360 nan 0.000 0.465 162 I N 1.213 121.741 120.570 -0.069 0.000 2.796 162 I HA 0.224 4.393 4.170 -0.002 0.000 0.279 162 I C -0.123 175.992 176.117 -0.004 0.000 1.289 162 I CA -0.621 60.650 61.300 -0.050 0.000 1.021 162 I CB 0.195 38.114 38.000 -0.135 0.000 1.414 162 I HN 0.260 nan 8.210 nan 0.000 0.562 163 R N 1.584 122.108 120.500 0.040 0.000 2.560 163 R HA 0.536 4.875 4.340 -0.002 0.000 0.270 163 R C 0.415 176.781 176.300 0.110 0.000 1.074 163 R CA -0.506 55.642 56.100 0.081 0.000 1.140 163 R CB 0.601 30.965 30.300 0.106 0.000 1.073 163 R HN 0.456 nan 8.270 nan 0.000 0.527 164 T N -1.768 112.873 114.554 0.143 0.000 2.881 164 T HA 0.373 4.722 4.350 -0.002 0.000 0.278 164 T C 0.890 175.807 174.700 0.362 0.000 0.982 164 T CA -0.562 61.669 62.100 0.218 0.000 0.989 164 T CB 1.213 70.181 68.868 0.165 0.000 1.058 164 T HN 0.652 nan 8.240 nan 0.000 0.529 165 G N 0.156 109.291 108.800 0.558 0.000 2.647 165 G HA2 0.369 4.327 3.960 -0.002 0.000 0.234 165 G HA3 0.369 4.327 3.960 -0.002 0.000 0.234 165 G C -0.167 174.824 174.900 0.153 0.000 1.252 165 G CA -0.694 44.630 45.100 0.374 0.000 0.846 165 G HN 0.767 nan 8.290 nan 0.000 0.589 166 I N 1.122 121.715 120.570 0.039 0.000 2.556 166 I HA 0.033 4.202 4.170 -0.002 0.000 0.284 166 I C 0.790 176.911 176.117 0.007 0.000 1.114 166 I CA -0.428 60.879 61.300 0.011 0.000 1.418 166 I CB 0.815 38.795 38.000 -0.033 0.000 1.394 166 I HN 0.210 nan 8.210 nan 0.000 0.552 167 L N 5.928 127.164 121.223 0.023 0.000 2.461 167 L HA 0.038 4.377 4.340 -0.002 0.000 0.259 167 L C 0.611 177.482 176.870 0.001 0.000 1.248 167 L CA 0.111 54.966 54.840 0.025 0.000 0.823 167 L CB -0.271 41.805 42.059 0.028 0.000 1.111 167 L HN 0.631 nan 8.230 nan 0.000 0.516 168 Q N 0.726 120.531 119.800 0.007 0.000 2.242 168 Q HA 0.215 4.554 4.340 -0.002 0.000 0.284 168 Q C 0.959 176.950 176.000 -0.015 0.000 1.130 168 Q CA 0.993 56.792 55.803 -0.007 0.000 0.940 168 Q CB -0.201 28.540 28.738 0.006 0.000 1.146 168 Q HN 0.882 nan 8.270 nan 0.000 0.388 169 G N 3.368 112.151 108.800 -0.029 0.000 2.439 169 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.305 169 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.305 169 G C 0.260 175.148 174.900 -0.021 0.000 0.966 169 G CA 0.406 45.489 45.100 -0.029 0.000 0.890 169 G HN 0.813 nan 8.290 nan 0.000 0.513 170 G N -0.920 107.869 108.800 -0.017 0.000 3.712 170 G HA2 0.633 4.592 3.960 -0.002 0.000 0.327 170 G HA3 0.633 4.592 3.960 -0.002 0.000 0.327 170 G C -1.364 173.531 174.900 -0.008 0.000 1.566 170 G CA -0.527 44.567 45.100 -0.010 0.000 0.953 170 G HN 0.101 nan 8.290 nan 0.000 0.488 171 P HA 0.021 nan 4.420 nan 0.000 0.225 171 P C 1.172 178.467 177.300 -0.009 0.000 1.156 171 P CA 0.930 64.023 63.100 -0.011 0.000 0.787 171 P CB 0.723 32.411 31.700 -0.020 0.000 0.802 172 E N -1.263 118.931 120.200 -0.009 0.000 2.251 172 E HA 0.086 4.435 4.350 -0.002 0.000 0.194 172 E C 0.517 177.116 176.600 -0.002 0.000 0.964 172 E CA 0.112 56.507 56.400 -0.008 0.000 0.868 172 E CB -0.281 29.413 29.700 -0.010 0.000 0.828 172 E HN 0.028 nan 8.360 nan 0.000 0.481 173 S N 1.920 117.619 115.700 -0.001 0.000 2.558 173 S HA -0.016 4.453 4.470 -0.002 0.000 0.287 173 S C -0.141 174.465 174.600 0.010 0.000 1.321 173 S CA 0.383 58.586 58.200 0.004 0.000 1.048 173 S CB 0.139 63.341 63.200 0.003 0.000 0.844 173 S HN 0.125 nan 8.310 nan 0.000 0.512 174 E N 1.440 121.646 120.200 0.011 0.000 2.182 174 E HA 0.416 4.764 4.350 -0.002 0.000 0.258 174 E C -0.755 175.854 176.600 0.016 0.000 0.879 174 E CA -0.724 55.685 56.400 0.015 0.000 0.754 174 E CB 1.074 30.782 29.700 0.014 0.000 1.162 174 E HN 0.212 nan 8.360 nan 0.000 0.419 175 V N 2.046 121.972 119.914 0.021 0.000 3.503 175 V HA 0.041 4.160 4.120 -0.002 0.000 0.300 175 V C 0.489 176.594 176.094 0.018 0.000 1.099 175 V CA 0.187 62.499 62.300 0.021 0.000 1.117 175 V CB 1.170 33.010 31.823 0.028 0.000 1.122 175 V HN 0.750 nan 8.190 nan 0.000 0.476 176 E N 1.786 121.995 120.200 0.015 0.000 2.244 176 E HA 0.286 4.635 4.350 -0.002 0.000 0.260 176 E C -1.463 175.142 176.600 0.010 0.000 0.884 176 E CA -0.526 55.881 56.400 0.012 0.000 0.777 176 E CB 1.490 31.195 29.700 0.009 0.000 1.197 176 E HN 0.510 nan 8.360 nan 0.000 0.416 177 L N 4.426 125.653 121.223 0.008 0.000 2.361 177 L HA 0.225 4.564 4.340 -0.002 0.000 0.278 177 L C -0.109 176.759 176.870 -0.003 0.000 1.113 177 L CA -0.351 54.490 54.840 0.002 0.000 0.849 177 L CB 1.032 43.090 42.059 -0.001 0.000 1.155 177 L HN 0.288 nan 8.230 nan 0.000 0.452 178 V N 4.719 124.630 119.914 -0.004 0.000 2.407 178 V HA 0.172 4.290 4.120 -0.002 0.000 0.278 178 V C 0.573 176.660 176.094 -0.012 0.000 1.037 178 V CA -0.945 61.351 62.300 -0.007 0.000 0.900 178 V CB 1.360 33.181 31.823 -0.003 0.000 0.983 178 V HN 0.679 nan 8.190 nan 0.000 0.459 179 K N 3.205 123.596 120.400 -0.015 0.000 2.586 179 K HA 0.092 4.410 4.320 -0.002 0.000 0.280 179 K C 1.244 177.834 176.600 -0.016 0.000 0.972 179 K CA 1.320 57.595 56.287 -0.020 0.000 1.040 179 K CB -0.040 32.449 32.500 -0.018 0.000 0.870 179 K HN 1.229 nan 8.250 nan 0.000 0.497 180 G N 2.104 110.893 108.800 -0.019 0.000 2.179 180 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.257 180 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.257 180 G C -0.239 174.652 174.900 -0.014 0.000 1.010 180 G CA 0.625 45.716 45.100 -0.016 0.000 0.736 180 G HN 0.792 nan 8.290 nan 0.000 0.513 181 S N -0.904 114.787 115.700 -0.015 0.000 2.475 181 S HA 0.696 5.165 4.470 -0.002 0.000 0.298 181 S C -0.196 174.396 174.600 -0.014 0.000 1.119 181 S CA -0.683 57.510 58.200 -0.011 0.000 1.085 181 S CB 2.417 65.613 63.200 -0.008 0.000 1.028 181 S HN 0.346 nan 8.310 nan 0.000 0.489 182 Q N 1.206 120.999 119.800 -0.012 0.000 2.361 182 Q HA 0.441 4.780 4.340 -0.002 0.000 0.276 182 Q C -1.035 174.957 176.000 -0.013 0.000 1.022 182 Q CA 0.293 56.087 55.803 -0.014 0.000 0.898 182 Q CB 0.713 29.444 28.738 -0.013 0.000 1.246 182 Q HN 0.666 nan 8.270 nan 0.000 0.410 183 V N 4.324 124.227 119.914 -0.017 0.000 2.638 183 V HA 0.290 4.409 4.120 -0.002 0.000 0.306 183 V C -1.232 174.847 176.094 -0.025 0.000 1.052 183 V CA -0.967 61.324 62.300 -0.015 0.000 0.885 183 V CB 1.959 33.775 31.823 -0.012 0.000 0.999 183 V HN 0.597 nan 8.190 nan 0.000 0.424 184 L N 6.385 127.590 121.223 -0.030 0.000 2.261 184 L HA 0.487 4.825 4.340 -0.002 0.000 0.289 184 L C -0.030 176.814 176.870 -0.043 0.000 1.059 184 L CA 0.135 54.943 54.840 -0.054 0.000 0.816 184 L CB 1.284 43.285 42.059 -0.096 0.000 1.191 184 L HN 0.460 nan 8.230 nan 0.000 0.431 185 V N 4.750 124.639 119.914 -0.041 0.000 2.555 185 V HA 0.450 4.569 4.120 -0.002 0.000 0.286 185 V C 0.663 176.715 176.094 -0.071 0.000 1.044 185 V CA -0.272 62.004 62.300 -0.040 0.000 1.026 185 V CB 0.940 32.738 31.823 -0.041 0.000 0.981 185 V HN 0.934 nan 8.190 nan 0.000 0.480 186 T N 1.326 115.843 114.554 -0.062 0.000 2.926 186 T HA 0.639 4.988 4.350 -0.002 0.000 0.289 186 T C 0.095 174.738 174.700 -0.096 0.000 1.054 186 T CA -0.234 61.820 62.100 -0.076 0.000 1.015 186 T CB 1.913 70.695 68.868 -0.143 0.000 1.167 186 T HN 0.773 nan 8.240 nan 0.000 0.526 187 V N -2.588 117.302 119.914 -0.041 0.000 3.017 187 V HA 0.402 4.521 4.120 -0.002 0.000 0.354 187 V C -0.549 175.652 176.094 0.179 0.000 1.389 187 V CA -0.594 61.647 62.300 -0.099 0.000 1.163 187 V CB -0.061 31.679 31.823 -0.138 0.000 1.178 187 V HN 0.822 nan 8.190 nan 0.000 0.547 188 D N 2.865 123.508 120.400 0.405 0.000 2.313 188 D HA 0.399 5.038 4.640 -0.002 0.000 0.239 188 D C -1.309 175.325 176.300 0.557 0.000 1.142 188 D CA -1.774 52.501 54.000 0.459 0.000 0.847 188 D CB 2.486 43.598 40.800 0.520 0.000 1.082 188 D HN 0.127 nan 8.370 nan 0.000 0.480 189 P HA -0.304 nan 4.420 nan 0.000 0.224 189 P C 0.943 178.239 177.300 -0.007 0.000 1.154 189 P CA 1.564 64.776 63.100 0.187 0.000 0.868 189 P CB 0.251 32.014 31.700 0.104 0.000 0.782 190 A N -0.601 122.253 122.820 0.056 0.000 1.841 190 A HA -0.187 4.132 4.320 -0.002 0.000 0.216 190 A C 1.891 179.256 177.584 -0.365 0.000 1.199 190 A CA 1.835 53.746 52.037 -0.210 0.000 0.621 190 A CB -1.730 17.058 19.000 -0.353 0.000 0.835 190 A HN 0.146 nan 8.150 nan 0.000 0.445 191 F N -0.288 119.635 119.950 -0.046 0.000 2.699 191 F HA 0.105 4.631 4.527 -0.002 0.000 0.298 191 F C 1.957 177.564 175.800 -0.322 0.000 1.154 191 F CA 0.482 58.456 58.000 -0.043 0.000 1.457 191 F CB -0.564 38.514 39.000 0.130 0.000 1.106 191 F HN 0.202 nan 8.300 nan 0.000 0.585 192 R N 0.054 120.031 120.500 -0.872 0.000 2.293 192 R HA -0.309 4.030 4.340 -0.002 0.000 0.270 192 R C 1.916 177.798 176.300 -0.697 0.000 1.192 192 R CA 2.015 57.189 56.100 -1.544 0.000 1.017 192 R CB -0.388 29.215 30.300 -1.161 0.000 0.887 192 R HN 0.404 nan 8.270 nan 0.000 0.480 193 T N -2.287 112.046 114.554 -0.369 0.000 3.048 193 T HA 0.174 4.523 4.350 -0.002 0.000 0.254 193 T C 0.802 175.440 174.700 -0.103 0.000 0.942 193 T CA -0.333 61.642 62.100 -0.209 0.000 0.931 193 T CB 0.279 69.027 68.868 -0.200 0.000 1.220 193 T HN 0.205 nan 8.240 nan 0.000 0.503 194 R N 1.967 122.412 120.500 -0.091 0.000 3.298 194 R HA 0.367 4.706 4.340 -0.002 0.000 0.249 194 R C 0.983 177.344 176.300 0.102 0.000 1.563 194 R CA -0.081 55.996 56.100 -0.038 0.000 1.378 194 R CB -0.231 29.954 30.300 -0.191 0.000 1.250 194 R HN 0.376 nan 8.270 nan 0.000 0.580 195 G N 0.931 109.782 108.800 0.085 0.000 2.414 195 G HA2 -0.000 3.958 3.960 -0.002 0.000 0.236 195 G HA3 -0.000 3.958 3.960 -0.002 0.000 0.236 195 G C -0.158 174.796 174.900 0.090 0.000 1.293 195 G CA -0.332 44.836 45.100 0.114 0.000 0.869 195 G HN 0.482 nan 8.290 nan 0.000 0.556 196 N N -0.206 118.552 118.700 0.097 0.000 3.439 196 N HA 0.602 5.341 4.740 -0.002 0.000 0.343 196 N C 0.813 176.357 175.510 0.056 0.000 1.597 196 N CA -0.128 52.963 53.050 0.068 0.000 0.733 196 N CB 0.793 39.323 38.487 0.072 0.000 1.973 196 N HN 0.416 nan 8.380 nan 0.000 0.646 197 A N -1.453 121.392 122.820 0.042 0.000 2.195 197 A HA 0.186 4.505 4.320 -0.002 0.000 0.210 197 A C 0.753 178.353 177.584 0.026 0.000 1.165 197 A CA 0.284 52.339 52.037 0.031 0.000 0.806 197 A CB -0.612 18.401 19.000 0.022 0.000 0.847 197 A HN 0.585 nan 8.150 nan 0.000 0.482 198 N N -0.561 118.158 118.700 0.032 0.000 2.220 198 N HA 0.075 4.813 4.740 -0.002 0.000 0.195 198 N C -0.593 174.929 175.510 0.020 0.000 1.123 198 N CA 0.524 53.587 53.050 0.021 0.000 0.874 198 N CB 0.842 39.340 38.487 0.019 0.000 0.995 198 N HN 0.198 nan 8.380 nan 0.000 0.498 199 T N 0.732 115.312 114.554 0.044 0.000 2.921 199 T HA 0.490 4.839 4.350 -0.002 0.000 0.297 199 T C -0.559 174.200 174.700 0.098 0.000 1.013 199 T CA -0.650 61.482 62.100 0.053 0.000 0.990 199 T CB 2.506 71.412 68.868 0.063 0.000 1.023 199 T HN -0.058 nan 8.240 nan 0.000 0.447 200 V N 0.654 120.626 119.914 0.096 0.000 2.962 200 V HA 0.920 5.038 4.120 -0.002 0.000 0.313 200 V C -1.569 174.656 176.094 0.218 0.000 1.099 200 V CA -1.150 61.242 62.300 0.153 0.000 0.971 200 V CB 2.140 34.026 31.823 0.104 0.000 1.028 200 V HN 0.964 nan 8.190 nan 0.000 0.430 201 W N 2.823 124.162 121.300 0.066 0.000 2.639 201 W HA 0.825 5.484 4.660 -0.002 0.000 0.347 201 W C -1.455 175.101 176.519 0.062 0.000 1.067 201 W CA -0.846 56.543 57.345 0.074 0.000 1.218 201 W CB 1.969 31.496 29.460 0.112 0.000 1.393 201 W HN 0.667 nan 8.180 nan 0.000 0.557 202 V N 5.238 124.782 119.914 -0.617 0.000 2.623 202 V HA 0.119 4.237 4.120 -0.002 0.000 0.304 202 V C -0.035 175.352 176.094 -1.178 0.000 1.054 202 V CA -0.611 61.349 62.300 -0.566 0.000 0.882 202 V CB 1.970 33.617 31.823 -0.293 0.000 1.002 202 V HN 0.663 nan 8.190 nan 0.000 0.424 203 D N 3.363 123.297 120.400 -0.776 0.000 2.379 203 D HA -0.133 4.506 4.640 -0.002 0.000 0.243 203 D C 0.035 176.187 176.300 -0.247 0.000 1.088 203 D CA 0.614 54.301 54.000 -0.522 0.000 0.925 203 D CB -0.258 40.549 40.800 0.012 0.000 0.888 203 D HN 0.488 nan 8.370 nan 0.000 0.529 204 Y N 0.013 120.088 120.300 -0.376 0.000 2.787 204 Y HA 0.315 4.863 4.550 -0.002 0.000 0.352 204 Y C -1.985 173.785 175.900 -0.217 0.000 1.027 204 Y CA -2.406 55.558 58.100 -0.226 0.000 1.219 204 Y CB 1.447 39.805 38.460 -0.171 0.000 1.110 204 Y HN -0.227 nan 8.280 nan 0.000 0.614 205 P HA -0.255 nan 4.420 nan 0.000 0.216 205 P C 1.014 178.126 177.300 -0.314 0.000 1.167 205 P CA 1.732 64.628 63.100 -0.340 0.000 0.914 205 P CB 0.445 31.961 31.700 -0.305 0.000 0.793 206 N N -0.663 117.693 118.700 -0.574 0.000 2.513 206 N HA -0.117 4.621 4.740 -0.002 0.000 0.187 206 N C 1.670 177.209 175.510 0.048 0.000 1.056 206 N CA 0.352 53.237 53.050 -0.274 0.000 0.907 206 N CB -0.962 37.340 38.487 -0.309 0.000 0.954 206 N HN 0.199 nan 8.380 nan 0.000 0.445 207 I N 0.776 121.493 120.570 0.245 0.000 2.462 207 I HA -0.296 3.873 4.170 -0.002 0.000 0.259 207 I C 1.890 178.046 176.117 0.065 0.000 1.156 207 I CA 0.914 62.346 61.300 0.221 0.000 1.417 207 I CB 0.120 38.226 38.000 0.176 0.000 1.088 207 I HN 0.024 nan 8.210 nan 0.000 0.442 208 V N -0.609 119.316 119.914 0.019 0.000 2.283 208 V HA -0.173 3.945 4.120 -0.002 0.000 0.243 208 V C 2.567 178.663 176.094 0.004 0.000 1.039 208 V CA 1.622 63.919 62.300 -0.004 0.000 1.016 208 V CB -0.964 30.844 31.823 -0.025 0.000 0.650 208 V HN 0.430 nan 8.190 nan 0.000 0.449 209 R N 0.816 121.320 120.500 0.006 0.000 2.357 209 R HA 0.075 4.414 4.340 -0.002 0.000 0.202 209 R C 1.218 177.530 176.300 0.020 0.000 1.047 209 R CA 1.419 57.523 56.100 0.007 0.000 1.034 209 R CB -0.528 29.770 30.300 -0.003 0.000 0.875 209 R HN 0.562 nan 8.270 nan 0.000 0.473 210 V N -0.190 119.744 119.914 0.034 0.000 3.502 210 V HA 0.175 4.293 4.120 -0.002 0.000 0.288 210 V C 0.084 176.184 176.094 0.009 0.000 1.461 210 V CA -0.077 62.242 62.300 0.031 0.000 1.029 210 V CB 1.325 33.186 31.823 0.063 0.000 0.843 210 V HN -0.076 nan 8.190 nan 0.000 0.438 211 V N 3.899 123.817 119.914 0.006 0.000 2.378 211 V HA 0.482 4.601 4.120 -0.002 0.000 0.288 211 V C -2.501 173.590 176.094 -0.004 0.000 1.016 211 V CA -1.692 60.606 62.300 -0.003 0.000 0.840 211 V CB 1.790 33.610 31.823 -0.006 0.000 0.994 211 V HN 0.228 nan 8.190 nan 0.000 0.431 212 P HA 0.348 nan 4.420 nan 0.000 0.290 212 P C -0.236 177.061 177.300 -0.006 0.000 1.275 212 P CA -0.509 62.588 63.100 -0.005 0.000 0.841 212 P CB 1.501 33.198 31.700 -0.005 0.000 1.042 213 V N 2.265 122.174 119.914 -0.007 0.000 2.886 213 V HA 0.009 4.128 4.120 -0.002 0.000 0.294 213 V C 1.907 177.997 176.094 -0.006 0.000 1.219 213 V CA 2.380 64.675 62.300 -0.008 0.000 1.334 213 V CB -1.150 30.669 31.823 -0.007 0.000 0.828 213 V HN 1.140 nan 8.190 nan 0.000 0.480 214 G N 3.336 112.132 108.800 -0.007 0.000 2.258 214 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.233 214 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.233 214 G C 0.607 175.507 174.900 -0.001 0.000 1.006 214 G CA 0.090 45.187 45.100 -0.005 0.000 0.620 214 G HN 1.551 nan 8.290 nan 0.000 0.511 215 G N -0.042 108.759 108.800 0.001 0.000 2.594 215 G HA2 0.493 4.452 3.960 -0.002 0.000 0.243 215 G HA3 0.493 4.452 3.960 -0.002 0.000 0.243 215 G C 0.053 174.962 174.900 0.016 0.000 1.229 215 G CA 0.442 45.548 45.100 0.009 0.000 0.843 215 G HN 0.676 nan 8.290 nan 0.000 0.578 216 R N 0.443 120.971 120.500 0.047 0.000 2.474 216 R HA 0.612 4.951 4.340 -0.002 0.000 0.295 216 R C -0.637 175.734 176.300 0.118 0.000 0.980 216 R CA -0.630 55.509 56.100 0.065 0.000 0.934 216 R CB 0.846 31.232 30.300 0.143 0.000 1.101 216 R HN 0.363 nan 8.270 nan 0.000 0.469 217 I N 4.611 125.212 120.570 0.051 0.000 2.512 217 I HA 0.254 4.423 4.170 -0.002 0.000 0.287 217 I C -1.379 174.769 176.117 0.052 0.000 1.069 217 I CA -0.788 60.565 61.300 0.088 0.000 1.056 217 I CB 1.769 39.779 38.000 0.016 0.000 1.229 217 I HN 0.664 nan 8.210 nan 0.000 0.429 218 Y N 5.927 126.213 120.300 -0.025 0.000 2.377 218 Y HA 0.547 5.095 4.550 -0.002 0.000 0.339 218 Y C 0.159 176.055 175.900 -0.007 0.000 1.011 218 Y CA -0.544 57.549 58.100 -0.011 0.000 1.093 218 Y CB 1.914 40.369 38.460 -0.008 0.000 1.201 218 Y HN 0.257 nan 8.280 nan 0.000 0.455 219 I N 2.559 123.196 120.570 0.111 0.000 2.569 219 I HA 0.167 4.336 4.170 -0.002 0.000 0.296 219 I C -0.709 175.462 176.117 0.090 0.000 1.028 219 I CA -0.923 60.423 61.300 0.077 0.000 1.082 219 I CB 1.771 39.791 38.000 0.034 0.000 1.264 219 I HN 0.717 nan 8.210 nan 0.000 0.429 220 D N 5.023 125.475 120.400 0.087 0.000 4.004 220 D HA -0.285 4.354 4.640 -0.002 0.000 0.208 220 D C 0.346 176.704 176.300 0.096 0.000 1.026 220 D CA 1.288 55.339 54.000 0.085 0.000 1.116 220 D CB -0.294 40.547 40.800 0.067 0.000 0.813 220 D HN 0.784 nan 8.370 nan 0.000 0.430 221 D N 2.206 122.667 120.400 0.101 0.000 2.911 221 D HA -0.181 4.458 4.640 -0.002 0.000 0.227 221 D C 1.364 177.739 176.300 0.125 0.000 1.164 221 D CA 2.717 56.775 54.000 0.096 0.000 0.782 221 D CB -1.147 39.699 40.800 0.076 0.000 1.094 221 D HN 1.316 nan 8.370 nan 0.000 0.425 222 G N -1.200 107.719 108.800 0.198 0.000 2.249 222 G HA2 -0.430 3.528 3.960 -0.002 0.000 0.269 222 G HA3 -0.430 3.528 3.960 -0.002 0.000 0.269 222 G C 1.249 176.297 174.900 0.246 0.000 0.979 222 G CA 0.984 46.319 45.100 0.392 0.000 0.644 222 G HN 0.598 nan 8.290 nan 0.000 0.546 223 L N -0.546 120.753 121.223 0.126 0.000 2.083 223 L HA 0.186 4.525 4.340 -0.002 0.000 0.209 223 L C 1.624 178.503 176.870 0.016 0.000 1.083 223 L CA 0.699 55.578 54.840 0.065 0.000 0.752 223 L CB -0.479 41.611 42.059 0.051 0.000 0.899 223 L HN 0.187 nan 8.230 nan 0.000 0.433 224 I N 0.275 120.849 120.570 0.007 0.000 2.385 224 I HA 0.192 4.360 4.170 -0.002 0.000 0.294 224 I C 0.118 176.149 176.117 -0.142 0.000 0.988 224 I CA 0.180 61.454 61.300 -0.043 0.000 1.265 224 I CB 1.740 39.731 38.000 -0.014 0.000 1.388 224 I HN 0.042 nan 8.210 nan 0.000 0.480 225 S N 7.746 123.323 115.700 -0.206 0.000 2.521 225 S HA 0.841 5.309 4.470 -0.002 0.000 0.295 225 S C -1.129 173.323 174.600 -0.246 0.000 1.098 225 S CA -0.556 57.413 58.200 -0.385 0.000 0.999 225 S CB 1.282 64.216 63.200 -0.444 0.000 1.034 225 S HN 0.463 nan 8.310 nan 0.000 0.483 226 L N 3.237 124.311 121.223 -0.249 0.000 2.472 226 L HA 0.681 5.020 4.340 -0.002 0.000 0.260 226 L C -1.284 175.526 176.870 -0.101 0.000 0.963 226 L CA -1.036 53.726 54.840 -0.129 0.000 0.829 226 L CB 2.422 44.434 42.059 -0.079 0.000 1.348 226 L HN 0.456 nan 8.230 nan 0.000 0.408 227 V N 2.495 122.369 119.914 -0.066 0.000 2.407 227 V HA 0.228 4.347 4.120 -0.002 0.000 0.291 227 V C 0.164 176.242 176.094 -0.027 0.000 1.018 227 V CA -0.714 61.563 62.300 -0.038 0.000 0.842 227 V CB 2.180 33.983 31.823 -0.033 0.000 0.996 227 V HN 0.476 nan 8.190 nan 0.000 0.426 228 V N 6.771 126.673 119.914 -0.019 0.000 2.456 228 V HA -0.060 4.058 4.120 -0.002 0.000 0.247 228 V C 1.499 177.584 176.094 -0.016 0.000 1.056 228 V CA 0.843 63.133 62.300 -0.017 0.000 1.203 228 V CB 0.118 31.934 31.823 -0.013 0.000 1.185 228 V HN 1.058 nan 8.190 nan 0.000 0.477 229 Q N 2.955 122.744 119.800 -0.018 0.000 2.222 229 Q HA 0.253 4.591 4.340 -0.002 0.000 0.206 229 Q C 0.072 176.062 176.000 -0.015 0.000 0.877 229 Q CA -0.170 55.623 55.803 -0.016 0.000 0.958 229 Q CB 0.536 29.264 28.738 -0.016 0.000 1.075 229 Q HN 0.383 nan 8.270 nan 0.000 0.483 230 K N 1.410 121.799 120.400 -0.017 0.000 2.535 230 K HA 0.186 4.505 4.320 -0.002 0.000 0.310 230 K C -1.786 174.802 176.600 -0.019 0.000 1.178 230 K CA -0.321 55.956 56.287 -0.016 0.000 1.052 230 K CB 1.365 33.855 32.500 -0.017 0.000 1.364 230 K HN 0.296 nan 8.250 nan 0.000 0.475 231 I N 2.341 122.902 120.570 -0.016 0.000 2.474 231 I HA 0.613 4.781 4.170 -0.002 0.000 0.287 231 I C 0.366 176.473 176.117 -0.017 0.000 1.048 231 I CA 0.919 62.209 61.300 -0.017 0.000 1.383 231 I CB 0.854 38.847 38.000 -0.013 0.000 1.412 231 I HN 0.774 nan 8.210 nan 0.000 0.531 232 G N 7.074 115.862 108.800 -0.020 0.000 2.494 232 G HA2 0.279 4.238 3.960 -0.002 0.000 0.308 232 G HA3 0.279 4.238 3.960 -0.002 0.000 0.308 232 G C -2.563 172.325 174.900 -0.021 0.000 1.263 232 G CA -0.273 44.816 45.100 -0.018 0.000 0.840 232 G HN 0.304 nan 8.290 nan 0.000 0.479 233 P HA 0.013 nan 4.420 nan 0.000 0.222 233 P C 0.664 177.952 177.300 -0.019 0.000 1.142 233 P CA 2.150 65.241 63.100 -0.015 0.000 0.788 233 P CB 0.275 31.968 31.700 -0.012 0.000 0.767 234 E N -3.457 116.724 120.200 -0.031 0.000 2.597 234 E HA 0.171 4.520 4.350 -0.002 0.000 0.256 234 E C 1.100 177.661 176.600 -0.065 0.000 1.120 234 E CA 0.220 56.595 56.400 -0.043 0.000 1.824 234 E CB -0.790 28.881 29.700 -0.048 0.000 3.035 234 E HN 0.036 nan 8.360 nan 0.000 1.045 235 G N 1.007 109.762 108.800 -0.076 0.000 2.522 235 G HA2 0.654 4.612 3.960 -0.002 0.000 0.304 235 G HA3 0.654 4.612 3.960 -0.002 0.000 0.304 235 G C -0.934 173.931 174.900 -0.057 0.000 1.210 235 G CA -0.822 44.227 45.100 -0.085 0.000 0.960 235 G HN 0.030 nan 8.290 nan 0.000 0.497 236 L N 0.255 121.446 121.223 -0.053 0.000 2.305 236 L HA 0.330 4.669 4.340 -0.002 0.000 0.284 236 L C -0.218 176.628 176.870 -0.039 0.000 1.013 236 L CA -0.906 53.911 54.840 -0.039 0.000 0.819 236 L CB 2.203 44.243 42.059 -0.032 0.000 1.227 236 L HN 0.263 nan 8.230 nan 0.000 0.417 237 V N 1.053 120.947 119.914 -0.034 0.000 2.387 237 V HA 0.328 4.447 4.120 -0.002 0.000 0.260 237 V C 0.635 176.714 176.094 -0.026 0.000 1.054 237 V CA -0.499 61.782 62.300 -0.031 0.000 0.967 237 V CB 0.083 31.889 31.823 -0.028 0.000 1.036 237 V HN 0.837 nan 8.190 nan 0.000 0.481 238 T N 1.924 116.461 114.554 -0.028 0.000 2.945 238 T HA 0.551 4.900 4.350 -0.002 0.000 0.286 238 T C -0.551 174.133 174.700 -0.028 0.000 1.025 238 T CA -0.692 61.391 62.100 -0.028 0.000 1.039 238 T CB 2.155 71.004 68.868 -0.031 0.000 1.068 238 T HN 0.637 nan 8.240 nan 0.000 0.497 239 Q N 1.257 121.039 119.800 -0.030 0.000 2.293 239 Q HA 0.452 4.791 4.340 -0.002 0.000 0.261 239 Q C -0.871 175.104 176.000 -0.042 0.000 0.960 239 Q CA -0.852 54.932 55.803 -0.031 0.000 0.882 239 Q CB 1.773 30.495 28.738 -0.026 0.000 1.275 239 Q HN 0.669 nan 8.270 nan 0.000 0.445 240 V N 4.882 124.773 119.914 -0.039 0.000 2.359 240 V HA -0.075 4.044 4.120 -0.002 0.000 0.248 240 V C 1.327 177.387 176.094 -0.058 0.000 1.091 240 V CA 0.749 63.019 62.300 -0.050 0.000 1.103 240 V CB 0.185 31.986 31.823 -0.037 0.000 1.176 240 V HN 0.869 nan 8.190 nan 0.000 0.488 241 E N 4.014 124.166 120.200 -0.080 0.000 2.208 241 E HA -0.077 4.272 4.350 -0.002 0.000 0.193 241 E C 0.575 177.124 176.600 -0.085 0.000 0.988 241 E CA 0.572 56.924 56.400 -0.079 0.000 0.828 241 E CB 0.340 29.982 29.700 -0.098 0.000 0.763 241 E HN 0.663 nan 8.360 nan 0.000 0.478 242 N N -0.438 118.197 118.700 -0.108 0.000 2.238 242 N HA 0.333 5.071 4.740 -0.002 0.000 0.302 242 N C -0.710 174.764 175.510 -0.060 0.000 1.072 242 N CA -0.229 52.768 53.050 -0.088 0.000 0.792 242 N CB 1.920 40.340 38.487 -0.112 0.000 1.425 242 N HN 0.131 nan 8.380 nan 0.000 0.478 243 G N -0.886 107.892 108.800 -0.037 0.000 2.511 243 G HA2 0.742 4.701 3.960 -0.002 0.000 0.316 243 G HA3 0.742 4.701 3.960 -0.002 0.000 0.316 243 G C -0.070 174.823 174.900 -0.012 0.000 1.210 243 G CA -0.123 44.965 45.100 -0.021 0.000 0.969 243 G HN 0.727 nan 8.290 nan 0.000 0.492 244 G N -2.492 106.306 108.800 -0.004 0.000 2.392 244 G HA2 0.282 4.240 3.960 -0.002 0.000 0.677 244 G HA3 0.282 4.240 3.960 -0.002 0.000 0.677 244 G C -0.899 174.006 174.900 0.008 0.000 1.334 244 G CA -0.367 44.735 45.100 0.003 0.000 0.961 244 G HN 1.253 nan 8.290 nan 0.000 0.616 245 V N 0.821 120.743 119.914 0.012 0.000 2.508 245 V HA 0.488 4.606 4.120 -0.002 0.000 0.281 245 V C 0.835 176.942 176.094 0.021 0.000 1.041 245 V CA -0.146 62.163 62.300 0.015 0.000 1.016 245 V CB 0.995 32.827 31.823 0.015 0.000 0.984 245 V HN 0.915 nan 8.190 nan 0.000 0.478 246 L N 5.367 126.605 121.223 0.025 0.000 2.343 246 L HA 0.854 5.193 4.340 -0.002 0.000 0.275 246 L C 0.663 177.555 176.870 0.036 0.000 1.056 246 L CA 0.553 55.413 54.840 0.033 0.000 0.804 246 L CB 1.424 43.506 42.059 0.037 0.000 1.203 246 L HN 0.670 nan 8.230 nan 0.000 0.440 247 G N 1.790 110.615 108.800 0.043 0.000 2.568 247 G HA2 0.422 4.381 3.960 -0.002 0.000 0.293 247 G HA3 0.422 4.381 3.960 -0.002 0.000 0.293 247 G C -0.800 174.133 174.900 0.055 0.000 1.347 247 G CA -0.656 44.469 45.100 0.043 0.000 1.039 247 G HN 0.656 nan 8.290 nan 0.000 0.523 248 S N -0.472 115.257 115.700 0.048 0.000 2.580 248 S HA 0.275 4.744 4.470 -0.002 0.000 0.274 248 S C 0.540 175.188 174.600 0.080 0.000 1.329 248 S CA -0.361 57.874 58.200 0.059 0.000 1.036 248 S CB 0.583 63.804 63.200 0.035 0.000 0.919 248 S HN 0.539 nan 8.310 nan 0.000 0.515 249 R N 0.793 121.357 120.500 0.108 0.000 2.955 249 R HA -0.205 4.134 4.340 -0.002 0.000 0.239 249 R C -0.703 175.672 176.300 0.125 0.000 0.848 249 R CA 0.559 56.738 56.100 0.131 0.000 0.586 249 R CB -1.397 28.980 30.300 0.127 0.000 1.098 249 R HN 0.368 nan 8.270 nan 0.000 0.499 250 K N -0.225 120.243 120.400 0.112 0.000 2.168 250 K HA 0.500 4.819 4.320 -0.002 0.000 0.239 250 K C 0.738 177.396 176.600 0.098 0.000 0.999 250 K CA -0.002 56.348 56.287 0.104 0.000 0.900 250 K CB 1.045 33.597 32.500 0.086 0.000 1.111 250 K HN 0.286 nan 8.250 nan 0.000 0.452 251 G N -0.124 108.733 108.800 0.096 0.000 2.444 251 G HA2 0.468 4.426 3.960 -0.002 0.000 0.268 251 G HA3 0.468 4.426 3.960 -0.002 0.000 0.268 251 G C -1.016 173.925 174.900 0.069 0.000 1.203 251 G CA -0.393 44.757 45.100 0.084 0.000 0.835 251 G HN 0.269 nan 8.290 nan 0.000 0.543 252 V N 2.631 122.566 119.914 0.034 0.000 2.680 252 V HA 0.536 4.654 4.120 -0.002 0.000 0.309 252 V C -0.574 175.501 176.094 -0.031 0.000 1.052 252 V CA -1.050 61.258 62.300 0.013 0.000 0.908 252 V CB 1.979 33.791 31.823 -0.018 0.000 1.001 252 V HN 0.811 nan 8.190 nan 0.000 0.431 253 N N 3.743 122.436 118.700 -0.011 0.000 2.329 253 N HA 0.691 5.429 4.740 -0.002 0.000 0.282 253 N C -1.586 173.895 175.510 -0.049 0.000 1.198 253 N CA -0.549 52.462 53.050 -0.066 0.000 0.790 253 N CB 2.977 41.416 38.487 -0.080 0.000 1.579 253 N HN 0.463 nan 8.380 nan 0.000 0.475 254 L N 1.158 122.318 121.223 -0.104 0.000 2.514 254 L HA 0.394 4.732 4.340 -0.002 0.000 0.257 254 L C -2.577 174.239 176.870 -0.091 0.000 1.101 254 L CA -1.509 53.288 54.840 -0.071 0.000 0.911 254 L CB 1.494 43.486 42.059 -0.113 0.000 1.162 254 L HN 0.186 nan 8.230 nan 0.000 0.477 255 P HA 0.108 nan 4.420 nan 0.000 0.272 255 P C 1.195 178.454 177.300 -0.070 0.000 1.254 255 P CA 0.300 63.337 63.100 -0.105 0.000 0.795 255 P CB 0.666 32.279 31.700 -0.145 0.000 1.022 256 G N -1.178 107.574 108.800 -0.080 0.000 2.249 256 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.273 256 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.273 256 G C 0.420 175.291 174.900 -0.048 0.000 0.995 256 G CA 0.687 45.748 45.100 -0.066 0.000 0.671 256 G HN 0.890 nan 8.290 nan 0.000 0.539 257 A N -0.410 122.378 122.820 -0.054 0.000 2.337 257 A HA 0.759 5.078 4.320 -0.002 0.000 0.329 257 A C 0.238 177.786 177.584 -0.061 0.000 1.146 257 A CA 0.197 52.202 52.037 -0.052 0.000 0.800 257 A CB 0.849 19.811 19.000 -0.063 0.000 1.220 257 A HN 0.913 nan 8.150 nan 0.000 0.472 258 Q N 2.222 121.995 119.800 -0.045 0.000 2.430 258 Q HA 0.517 4.856 4.340 -0.002 0.000 0.245 258 Q C -1.320 174.650 176.000 -0.050 0.000 1.021 258 Q CA -0.509 55.273 55.803 -0.036 0.000 0.867 258 Q CB 0.825 29.557 28.738 -0.009 0.000 1.210 258 Q HN 0.355 nan 8.270 nan 0.000 0.487 259 V N 4.033 123.888 119.914 -0.099 0.000 2.637 259 V HA -0.022 4.097 4.120 -0.002 0.000 0.296 259 V C 0.997 177.068 176.094 -0.039 0.000 1.046 259 V CA 0.326 62.541 62.300 -0.141 0.000 1.066 259 V CB 1.180 32.827 31.823 -0.295 0.000 0.968 259 V HN 0.991 nan 8.190 nan 0.000 0.483 260 D N 2.960 123.390 120.400 0.050 0.000 2.398 260 D HA 0.025 4.664 4.640 -0.002 0.000 0.210 260 D C 0.418 176.763 176.300 0.076 0.000 1.094 260 D CA -0.393 53.650 54.000 0.073 0.000 0.839 260 D CB 0.382 41.241 40.800 0.097 0.000 0.963 260 D HN 0.283 nan 8.370 nan 0.000 0.506 261 L N 3.049 124.323 121.223 0.086 0.000 2.490 261 L HA 0.220 4.559 4.340 -0.002 0.000 0.274 261 L C -1.821 175.071 176.870 0.037 0.000 1.201 261 L CA -1.457 53.431 54.840 0.080 0.000 0.869 261 L CB 0.082 42.183 42.059 0.069 0.000 1.123 261 L HN -0.057 nan 8.230 nan 0.000 0.484 262 P HA 0.046 nan 4.420 nan 0.000 0.264 262 P C 0.820 178.145 177.300 0.042 0.000 1.193 262 P CA 0.013 63.134 63.100 0.034 0.000 0.763 262 P CB 0.522 32.241 31.700 0.032 0.000 0.810 263 G N 2.847 111.676 108.800 0.048 0.000 2.469 263 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.220 263 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.220 263 G C 0.219 175.162 174.900 0.071 0.000 1.136 263 G CA 0.587 45.731 45.100 0.073 0.000 0.759 263 G HN 0.458 nan 8.290 nan 0.000 0.562 264 L N 1.431 122.684 121.223 0.050 0.000 2.388 264 L HA 0.439 4.778 4.340 -0.002 0.000 0.267 264 L C 0.539 177.433 176.870 0.040 0.000 0.995 264 L CA -0.586 54.280 54.840 0.043 0.000 0.864 264 L CB 1.620 43.697 42.059 0.029 0.000 1.216 264 L HN 0.185 nan 8.230 nan 0.000 0.430 265 S N 1.489 117.218 115.700 0.048 0.000 2.655 265 S HA 0.271 4.740 4.470 -0.002 0.000 0.265 265 S C 1.064 175.691 174.600 0.045 0.000 1.240 265 S CA -0.179 58.049 58.200 0.046 0.000 0.986 265 S CB 0.852 64.084 63.200 0.054 0.000 0.985 265 S HN 0.673 nan 8.310 nan 0.000 0.562 266 E N -0.022 120.205 120.200 0.045 0.000 2.038 266 E HA -0.244 4.104 4.350 -0.002 0.000 0.195 266 E C 2.133 178.771 176.600 0.064 0.000 1.000 266 E CA 1.649 58.078 56.400 0.048 0.000 0.803 266 E CB -0.266 29.461 29.700 0.045 0.000 0.750 266 E HN 0.707 nan 8.360 nan 0.000 0.448 267 Q N 1.188 121.032 119.800 0.072 0.000 1.998 267 Q HA -0.238 4.101 4.340 -0.002 0.000 0.209 267 Q C 1.624 177.684 176.000 0.101 0.000 1.002 267 Q CA 2.345 58.207 55.803 0.098 0.000 0.858 267 Q CB -0.448 28.346 28.738 0.093 0.000 0.932 267 Q HN 0.286 nan 8.270 nan 0.000 0.416 268 D N -0.877 119.569 120.400 0.077 0.000 2.170 268 D HA -0.183 4.456 4.640 -0.002 0.000 0.193 268 D C 1.940 178.256 176.300 0.027 0.000 1.004 268 D CA 1.621 55.652 54.000 0.052 0.000 0.860 268 D CB -0.440 40.390 40.800 0.050 0.000 0.931 268 D HN 0.189 nan 8.370 nan 0.000 0.448 269 V N 0.839 120.775 119.914 0.037 0.000 2.287 269 V HA -0.251 3.868 4.120 -0.002 0.000 0.248 269 V C 2.618 178.736 176.094 0.040 0.000 1.053 269 V CA 1.663 63.979 62.300 0.026 0.000 1.027 269 V CB -0.342 31.500 31.823 0.031 0.000 0.646 269 V HN 0.138 nan 8.190 nan 0.000 0.447 270 R N -0.322 120.228 120.500 0.083 0.000 2.091 270 R HA -0.179 4.160 4.340 -0.002 0.000 0.238 270 R C 2.062 178.424 176.300 0.104 0.000 1.136 270 R CA 1.904 58.086 56.100 0.137 0.000 0.959 270 R CB -0.398 30.035 30.300 0.221 0.000 0.856 270 R HN 0.564 nan 8.270 nan 0.000 0.437 271 D N 0.518 120.954 120.400 0.060 0.000 2.117 271 D HA -0.143 4.495 4.640 -0.002 0.000 0.197 271 D C 1.948 178.124 176.300 -0.206 0.000 0.987 271 D CA 0.997 54.914 54.000 -0.138 0.000 0.829 271 D CB -0.237 40.443 40.800 -0.200 0.000 0.961 271 D HN 0.185 nan 8.370 nan 0.000 0.460 272 L N 0.444 121.592 121.223 -0.125 0.000 2.079 272 L HA -0.156 4.183 4.340 -0.002 0.000 0.210 272 L C 2.478 179.319 176.870 -0.047 0.000 1.081 272 L CA 0.936 55.715 54.840 -0.102 0.000 0.752 272 L CB -0.273 41.742 42.059 -0.074 0.000 0.896 272 L HN -0.052 nan 8.230 nan 0.000 0.433 273 R N -0.293 120.203 120.500 -0.008 0.000 2.081 273 R HA -0.168 4.170 4.340 -0.002 0.000 0.235 273 R C 2.139 178.458 176.300 0.033 0.000 1.131 273 R CA 1.434 57.541 56.100 0.010 0.000 0.960 273 R CB -1.199 29.123 30.300 0.036 0.000 0.856 273 R HN 0.326 nan 8.270 nan 0.000 0.436 274 F N 1.029 120.909 119.950 -0.117 0.000 2.102 274 F HA -0.125 4.401 4.527 -0.002 0.000 0.298 274 F C 2.224 178.037 175.800 0.022 0.000 1.105 274 F CA 1.874 59.834 58.000 -0.066 0.000 1.239 274 F CB -0.666 38.144 39.000 -0.316 0.000 0.991 274 F HN 0.099 nan 8.300 nan 0.000 0.474 275 G N 0.396 109.274 108.800 0.129 0.000 2.491 275 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 275 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 275 G C 1.678 176.540 174.900 -0.063 0.000 1.180 275 G CA 1.575 46.686 45.100 0.018 0.000 0.774 275 G HN 0.369 nan 8.290 nan 0.000 0.562 276 V N 0.842 120.714 119.914 -0.071 0.000 2.255 276 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 276 V C 2.624 178.648 176.094 -0.117 0.000 1.051 276 V CA 2.294 64.546 62.300 -0.080 0.000 1.018 276 V CB -0.750 31.031 31.823 -0.070 0.000 0.641 276 V HN 0.468 nan 8.190 nan 0.000 0.445 277 E N -0.714 119.387 120.200 -0.165 0.000 2.187 277 E HA -0.252 4.097 4.350 -0.002 0.000 0.199 277 E C 1.888 178.242 176.600 -0.409 0.000 1.004 277 E CA 1.576 57.806 56.400 -0.284 0.000 0.813 277 E CB -0.182 29.316 29.700 -0.335 0.000 0.736 277 E HN 0.729 nan 8.360 nan 0.000 0.468 278 H N -1.603 117.263 119.070 -0.341 0.000 2.652 278 H HA 0.173 4.728 4.556 -0.002 0.000 0.274 278 H C 0.964 176.198 175.328 -0.157 0.000 1.021 278 H CA 0.645 56.515 56.048 -0.296 0.000 1.187 278 H CB 1.345 30.820 29.762 -0.479 0.000 1.505 278 H HN 0.285 nan 8.280 nan 0.000 0.530 279 G N 2.075 110.854 108.800 -0.034 0.000 2.171 279 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.238 279 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.238 279 G C 0.596 175.495 174.900 -0.003 0.000 1.039 279 G CA 0.391 45.479 45.100 -0.020 0.000 0.759 279 G HN 0.372 nan 8.290 nan 0.000 0.501 280 V N -3.059 116.851 119.914 -0.006 0.000 3.376 280 V HA 0.623 4.741 4.120 -0.002 0.000 0.303 280 V C 1.017 177.090 176.094 -0.035 0.000 1.100 280 V CA 1.088 63.383 62.300 -0.009 0.000 1.126 280 V CB 1.079 32.895 31.823 -0.012 0.000 1.085 280 V HN 0.109 nan 8.190 nan 0.000 0.480 281 D N 0.668 121.037 120.400 -0.053 0.000 2.454 281 D HA 0.433 5.072 4.640 -0.002 0.000 0.214 281 D C -0.106 176.129 176.300 -0.108 0.000 1.088 281 D CA 0.473 54.438 54.000 -0.059 0.000 0.855 281 D CB 0.390 41.170 40.800 -0.033 0.000 1.025 281 D HN 0.595 nan 8.370 nan 0.000 0.502 282 I N 0.288 120.753 120.570 -0.175 0.000 2.722 282 I HA 0.221 4.390 4.170 -0.002 0.000 0.292 282 I C -1.335 174.580 176.117 -0.336 0.000 1.267 282 I CA -0.986 60.144 61.300 -0.282 0.000 1.036 282 I CB 3.054 40.788 38.000 -0.443 0.000 1.281 282 I HN -0.400 nan 8.210 nan 0.000 0.423 283 V N 5.451 125.195 119.914 -0.284 0.000 2.347 283 V HA 0.391 4.509 4.120 -0.002 0.000 0.280 283 V C -0.652 175.331 176.094 -0.186 0.000 1.021 283 V CA -0.488 61.678 62.300 -0.223 0.000 0.847 283 V CB 0.948 32.696 31.823 -0.126 0.000 0.990 283 V HN 0.330 nan 8.190 nan 0.000 0.444 284 F N 3.368 123.302 119.950 -0.026 0.000 2.421 284 F HA 0.584 5.109 4.527 -0.002 0.000 0.358 284 F C 0.812 176.589 175.800 -0.040 0.000 1.115 284 F CA -0.787 57.195 58.000 -0.030 0.000 1.160 284 F CB 1.060 40.048 39.000 -0.020 0.000 1.123 284 F HN 0.527 nan 8.300 nan 0.000 0.508 285 A N 3.225 126.122 122.820 0.128 0.000 2.366 285 A HA 0.453 4.772 4.320 -0.002 0.000 0.322 285 A C 0.341 177.929 177.584 0.007 0.000 1.397 285 A CA -0.504 51.565 52.037 0.052 0.000 0.984 285 A CB -0.287 18.729 19.000 0.026 0.000 1.149 285 A HN 0.628 nan 8.150 nan 0.000 0.540 286 S N 1.386 117.077 115.700 -0.014 0.000 2.563 286 S HA 0.234 4.703 4.470 -0.002 0.000 0.294 286 S C 0.185 174.755 174.600 -0.050 0.000 1.279 286 S CA 0.530 58.641 58.200 -0.148 0.000 1.069 286 S CB -0.660 62.512 63.200 -0.046 0.000 0.828 286 S HN 0.831 nan 8.310 nan 0.000 0.497 287 F N -0.094 119.868 119.950 0.021 0.000 2.988 287 F HA -0.194 4.331 4.527 -0.002 0.000 0.287 287 F C 0.527 176.334 175.800 0.011 0.000 0.781 287 F CA -0.308 57.699 58.000 0.012 0.000 1.221 287 F CB -2.167 36.837 39.000 0.008 0.000 1.392 287 F HN 0.305 nan 8.300 nan 0.000 0.425 288 V N 1.566 121.529 119.914 0.081 0.000 2.557 288 V HA -0.038 4.081 4.120 -0.002 0.000 0.301 288 V C 1.357 177.495 176.094 0.074 0.000 1.026 288 V CA 1.442 63.779 62.300 0.061 0.000 1.137 288 V CB 0.999 32.832 31.823 0.016 0.000 0.917 288 V HN 0.456 nan 8.190 nan 0.000 0.484 289 R N 3.200 123.741 120.500 0.068 0.000 2.531 289 R HA 0.381 4.719 4.340 -0.002 0.000 0.316 289 R C -0.103 176.214 176.300 0.027 0.000 0.955 289 R CA -0.497 55.639 56.100 0.059 0.000 1.120 289 R CB 0.386 30.733 30.300 0.077 0.000 1.361 289 R HN 0.710 nan 8.270 nan 0.000 0.534 290 K N -1.397 119.009 120.400 0.011 0.000 2.636 290 K HA 0.469 4.788 4.320 -0.002 0.000 0.268 290 K C -0.278 176.313 176.600 -0.016 0.000 0.958 290 K CA -0.293 55.991 56.287 -0.005 0.000 0.875 290 K CB 0.989 33.491 32.500 0.002 0.000 1.382 290 K HN -0.123 nan 8.250 nan 0.000 0.405 291 A N 1.455 124.257 122.820 -0.030 0.000 2.024 291 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 291 A C 2.109 179.678 177.584 -0.027 0.000 1.164 291 A CA 2.251 54.264 52.037 -0.039 0.000 0.643 291 A CB -1.042 17.927 19.000 -0.052 0.000 0.806 291 A HN 0.960 nan 8.150 nan 0.000 0.451 292 S N 0.451 116.141 115.700 -0.017 0.000 2.402 292 S HA -0.253 4.216 4.470 -0.002 0.000 0.233 292 S C 1.387 175.983 174.600 -0.007 0.000 1.030 292 S CA 1.646 59.840 58.200 -0.010 0.000 1.003 292 S CB -0.620 62.578 63.200 -0.004 0.000 0.813 292 S HN 0.525 nan 8.310 nan 0.000 0.477 293 D N 1.022 121.420 120.400 -0.002 0.000 2.182 293 D HA -0.068 4.571 4.640 -0.002 0.000 0.201 293 D C 2.069 178.366 176.300 -0.004 0.000 0.986 293 D CA 1.279 55.282 54.000 0.005 0.000 0.847 293 D CB -0.506 40.305 40.800 0.019 0.000 0.942 293 D HN 0.456 nan 8.370 nan 0.000 0.467 294 V N 0.018 119.922 119.914 -0.017 0.000 2.649 294 V HA 0.071 4.190 4.120 -0.002 0.000 0.248 294 V C 2.063 178.138 176.094 -0.032 0.000 1.054 294 V CA 1.540 63.824 62.300 -0.026 0.000 1.073 294 V CB -0.138 31.663 31.823 -0.037 0.000 0.699 294 V HN 0.116 nan 8.190 nan 0.000 0.463 295 A N 0.763 123.566 122.820 -0.028 0.000 1.917 295 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 295 A C 2.520 180.087 177.584 -0.028 0.000 1.182 295 A CA 2.655 54.675 52.037 -0.028 0.000 0.633 295 A CB -1.287 17.701 19.000 -0.020 0.000 0.819 295 A HN 1.039 nan 8.150 nan 0.000 0.448 296 A N -0.472 122.337 122.820 -0.018 0.000 1.852 296 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 296 A C 2.230 179.799 177.584 -0.025 0.000 1.215 296 A CA 2.405 54.433 52.037 -0.015 0.000 0.641 296 A CB -1.420 17.579 19.000 -0.002 0.000 0.838 296 A HN 0.577 nan 8.150 nan 0.000 0.450 297 V N -0.058 119.841 119.914 -0.026 0.000 2.220 297 V HA -0.362 3.757 4.120 -0.002 0.000 0.250 297 V C 2.703 178.759 176.094 -0.062 0.000 1.056 297 V CA 2.749 65.026 62.300 -0.038 0.000 1.016 297 V CB -0.851 30.950 31.823 -0.037 0.000 0.639 297 V HN 0.665 nan 8.190 nan 0.000 0.446 298 R N -0.459 119.997 120.500 -0.073 0.000 2.117 298 R HA -0.221 4.118 4.340 -0.002 0.000 0.243 298 R C 2.285 178.512 176.300 -0.121 0.000 1.143 298 R CA 1.695 57.727 56.100 -0.114 0.000 0.968 298 R CB -0.524 29.707 30.300 -0.114 0.000 0.863 298 R HN 0.572 nan 8.270 nan 0.000 0.444 299 A N 0.598 123.372 122.820 -0.077 0.000 1.841 299 A HA -0.187 4.132 4.320 -0.002 0.000 0.216 299 A C 2.375 179.925 177.584 -0.057 0.000 1.199 299 A CA 1.960 53.962 52.037 -0.059 0.000 0.621 299 A CB -1.191 17.790 19.000 -0.031 0.000 0.835 299 A HN 0.515 nan 8.150 nan 0.000 0.445 300 A N -0.923 121.870 122.820 -0.044 0.000 1.917 300 A HA -0.132 4.187 4.320 -0.002 0.000 0.219 300 A C 2.027 179.578 177.584 -0.054 0.000 1.182 300 A CA 1.930 53.945 52.037 -0.037 0.000 0.633 300 A CB -0.681 18.303 19.000 -0.026 0.000 0.819 300 A HN 0.448 nan 8.150 nan 0.000 0.448 301 L N -1.266 119.909 121.223 -0.079 0.000 2.089 301 L HA -0.010 4.329 4.340 -0.002 0.000 0.213 301 L C 1.615 178.427 176.870 -0.097 0.000 1.079 301 L CA 1.665 56.446 54.840 -0.098 0.000 0.758 301 L CB -1.851 40.129 42.059 -0.131 0.000 0.891 301 L HN 0.889 nan 8.230 nan 0.000 0.433 302 G N -2.522 106.213 108.800 -0.108 0.000 2.829 302 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.628 302 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.628 302 G C -1.714 173.141 174.900 -0.075 0.000 1.412 302 G CA -0.260 44.796 45.100 -0.074 0.000 0.864 302 G HN 0.141 nan 8.290 nan 0.000 0.544 303 P HA -0.006 nan 4.420 nan 0.000 0.215 303 P C 1.536 178.912 177.300 0.126 0.000 1.157 303 P CA 1.825 65.000 63.100 0.125 0.000 0.863 303 P CB -0.062 31.688 31.700 0.082 0.000 0.787 304 E N -0.622 119.603 120.200 0.041 0.000 2.455 304 E HA -0.041 4.308 4.350 -0.002 0.000 0.202 304 E C 1.035 177.643 176.600 0.013 0.000 1.045 304 E CA 1.087 57.500 56.400 0.021 0.000 0.872 304 E CB -0.643 29.050 29.700 -0.011 0.000 0.792 304 E HN 0.288 nan 8.360 nan 0.000 0.542 305 G N 0.309 109.108 108.800 -0.001 0.000 4.849 305 G HA2 0.181 4.140 3.960 -0.002 0.000 0.247 305 G HA3 0.181 4.140 3.960 -0.002 0.000 0.247 305 G C -0.208 174.648 174.900 -0.073 0.000 1.128 305 G CA -0.516 44.565 45.100 -0.031 0.000 0.864 305 G HN 0.065 nan 8.290 nan 0.000 0.567 306 H N 0.155 119.204 119.070 -0.035 0.000 2.491 306 H HA 0.007 4.562 4.556 -0.002 0.000 0.290 306 H C 2.625 177.930 175.328 -0.038 0.000 1.050 306 H CA 1.650 57.676 56.048 -0.035 0.000 1.309 306 H CB 0.516 30.259 29.762 -0.032 0.000 1.392 306 H HN 0.464 nan 8.280 nan 0.000 0.554 307 G N 0.616 109.460 108.800 0.074 0.000 2.450 307 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.220 307 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.220 307 G C 0.663 175.557 174.900 -0.009 0.000 1.130 307 G CA 0.193 45.308 45.100 0.025 0.000 0.760 307 G HN 0.275 nan 8.290 nan 0.000 0.557 308 I N 1.637 122.187 120.570 -0.033 0.000 2.533 308 I HA 0.104 4.273 4.170 -0.002 0.000 0.284 308 I C -0.015 176.062 176.117 -0.067 0.000 1.109 308 I CA -0.664 60.600 61.300 -0.060 0.000 1.412 308 I CB 0.965 38.917 38.000 -0.079 0.000 1.396 308 I HN -0.118 nan 8.210 nan 0.000 0.543 309 K N 7.224 127.580 120.400 -0.073 0.000 2.382 309 K HA 0.348 4.667 4.320 -0.002 0.000 0.275 309 K C -0.295 176.249 176.600 -0.093 0.000 1.009 309 K CA 0.014 56.257 56.287 -0.075 0.000 0.970 309 K CB 0.655 33.112 32.500 -0.071 0.000 0.934 309 K HN 0.475 nan 8.250 nan 0.000 0.479 310 I N 4.524 125.052 120.570 -0.070 0.000 2.355 310 I HA 0.200 4.368 4.170 -0.002 0.000 0.288 310 I C -0.196 175.908 176.117 -0.022 0.000 0.999 310 I CA -0.825 60.440 61.300 -0.058 0.000 1.163 310 I CB 1.127 39.095 38.000 -0.054 0.000 1.316 310 I HN 0.194 nan 8.210 nan 0.000 0.454 311 I N 5.147 125.730 120.570 0.022 0.000 2.388 311 I HA 0.170 4.339 4.170 -0.002 0.000 0.281 311 I C 0.557 176.739 176.117 0.108 0.000 1.046 311 I CA -0.257 61.111 61.300 0.112 0.000 1.187 311 I CB 0.842 39.036 38.000 0.324 0.000 1.351 311 I HN 0.438 nan 8.210 nan 0.000 0.472 312 S N 6.421 122.145 115.700 0.040 0.000 2.498 312 S HA 0.142 4.610 4.470 -0.002 0.000 0.281 312 S C 0.499 175.109 174.600 0.016 0.000 1.265 312 S CA -0.307 57.903 58.200 0.016 0.000 1.071 312 S CB 0.302 63.489 63.200 -0.022 0.000 0.894 312 S HN 0.325 nan 8.310 nan 0.000 0.491 313 K N 3.065 123.459 120.400 -0.011 0.000 2.339 313 K HA 0.223 4.541 4.320 -0.002 0.000 0.286 313 K C -0.380 176.181 176.600 -0.065 0.000 1.050 313 K CA -0.313 55.932 56.287 -0.070 0.000 0.956 313 K CB 0.482 32.886 32.500 -0.161 0.000 0.990 313 K HN 0.423 nan 8.250 nan 0.000 0.475 314 I N 3.380 123.927 120.570 -0.039 0.000 2.304 314 I HA 0.103 4.271 4.170 -0.002 0.000 0.291 314 I C 0.770 176.856 176.117 -0.051 0.000 1.018 314 I CA 0.324 61.621 61.300 -0.005 0.000 1.260 314 I CB 0.824 38.863 38.000 0.064 0.000 1.390 314 I HN 0.725 nan 8.210 nan 0.000 0.475 315 E N 4.308 124.488 120.200 -0.034 0.000 2.715 315 E HA 0.100 4.449 4.350 -0.002 0.000 0.224 315 E C -0.583 176.100 176.600 0.139 0.000 0.962 315 E CA -0.142 56.243 56.400 -0.026 0.000 1.145 315 E CB 0.750 30.253 29.700 -0.329 0.000 1.083 315 E HN 0.861 nan 8.360 nan 0.000 0.506 316 N N -2.471 116.305 118.700 0.126 0.000 3.261 316 N HA 0.017 4.756 4.740 -0.002 0.000 0.248 316 N C 0.281 175.863 175.510 0.121 0.000 1.498 316 N CA -0.671 52.460 53.050 0.135 0.000 0.884 316 N CB 0.475 39.060 38.487 0.163 0.000 1.428 316 N HN -0.193 nan 8.380 nan 0.000 0.517 317 H N -0.116 118.968 119.070 0.022 0.000 2.257 317 H HA -0.231 4.323 4.556 -0.002 0.000 0.292 317 H C 1.196 176.539 175.328 0.025 0.000 1.075 317 H CA 2.798 58.853 56.048 0.010 0.000 1.212 317 H CB 0.017 29.777 29.762 -0.003 0.000 1.354 317 H HN 0.824 nan 8.280 nan 0.000 0.497 318 E N -0.410 119.821 120.200 0.051 0.000 2.068 318 E HA -0.207 4.142 4.350 -0.002 0.000 0.207 318 E C 2.444 179.035 176.600 -0.016 0.000 1.032 318 E CA 1.716 58.114 56.400 -0.003 0.000 0.839 318 E CB -0.662 29.064 29.700 0.044 0.000 0.758 318 E HN 0.611 nan 8.360 nan 0.000 0.457 319 G N 0.072 108.890 108.800 0.030 0.000 2.505 319 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.220 319 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.220 319 G C 1.671 176.600 174.900 0.049 0.000 1.145 319 G CA 1.259 46.385 45.100 0.043 0.000 0.761 319 G HN 0.293 nan 8.290 nan 0.000 0.571 320 V N 0.434 120.348 119.914 -0.001 0.000 2.427 320 V HA -0.093 4.026 4.120 -0.002 0.000 0.248 320 V C 2.835 178.910 176.094 -0.032 0.000 1.051 320 V CA 1.803 64.097 62.300 -0.011 0.000 1.048 320 V CB -0.282 31.495 31.823 -0.076 0.000 0.666 320 V HN 0.159 nan 8.190 nan 0.000 0.456 321 K N 0.701 121.017 120.400 -0.139 0.000 2.097 321 K HA -0.036 4.283 4.320 -0.002 0.000 0.205 321 K C 1.785 178.371 176.600 -0.023 0.000 1.050 321 K CA 1.206 57.414 56.287 -0.133 0.000 0.938 321 K CB -0.219 32.154 32.500 -0.212 0.000 0.718 321 K HN 0.464 nan 8.250 nan 0.000 0.442 322 R N -0.249 120.254 120.500 0.004 0.000 2.586 322 R HA 0.094 4.433 4.340 -0.002 0.000 0.306 322 R C 1.422 177.741 176.300 0.031 0.000 1.079 322 R CA -0.288 55.819 56.100 0.013 0.000 1.083 322 R CB -0.371 29.926 30.300 -0.006 0.000 1.306 322 R HN 0.079 nan 8.270 nan 0.000 0.567 323 F N 2.333 122.252 119.950 -0.050 0.000 2.154 323 F HA -0.238 4.288 4.527 -0.002 0.000 0.301 323 F C 1.413 177.195 175.800 -0.031 0.000 1.087 323 F CA 1.707 59.682 58.000 -0.041 0.000 1.274 323 F CB 0.178 39.150 39.000 -0.047 0.000 1.009 323 F HN -0.004 nan 8.300 nan 0.000 0.485 324 D N 0.626 121.013 120.400 -0.022 0.000 2.084 324 D HA -0.219 4.420 4.640 -0.002 0.000 0.196 324 D C 2.220 178.411 176.300 -0.183 0.000 0.985 324 D CA 1.731 55.664 54.000 -0.112 0.000 0.826 324 D CB -0.666 40.159 40.800 0.041 0.000 0.978 324 D HN 0.669 nan 8.370 nan 0.000 0.456 325 E N 1.167 121.300 120.200 -0.111 0.000 2.058 325 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 325 E C 2.278 178.784 176.600 -0.157 0.000 0.997 325 E CA 0.988 57.327 56.400 -0.102 0.000 0.801 325 E CB -0.582 29.082 29.700 -0.061 0.000 0.746 325 E HN 0.196 nan 8.360 nan 0.000 0.450 326 I N 1.833 122.281 120.570 -0.202 0.000 2.118 326 I HA -0.307 3.862 4.170 -0.002 0.000 0.241 326 I C 2.734 178.676 176.117 -0.292 0.000 1.070 326 I CA 1.326 62.491 61.300 -0.224 0.000 1.327 326 I CB -0.523 37.348 38.000 -0.216 0.000 1.034 326 I HN 0.220 nan 8.210 nan 0.000 0.405 327 L N 0.332 121.252 121.223 -0.504 0.000 2.079 327 L HA -0.260 4.079 4.340 -0.002 0.000 0.210 327 L C 2.498 179.224 176.870 -0.239 0.000 1.081 327 L CA 1.816 56.380 54.840 -0.461 0.000 0.752 327 L CB -0.423 41.272 42.059 -0.606 0.000 0.896 327 L HN 0.418 nan 8.230 nan 0.000 0.433 328 E N -0.858 119.224 120.200 -0.196 0.000 2.204 328 E HA -0.157 4.192 4.350 -0.002 0.000 0.194 328 E C 1.702 178.241 176.600 -0.101 0.000 0.989 328 E CA 1.022 57.348 56.400 -0.124 0.000 0.824 328 E CB 0.275 29.917 29.700 -0.097 0.000 0.756 328 E HN 0.405 nan 8.360 nan 0.000 0.477 329 V N 0.253 120.104 119.914 -0.104 0.000 3.578 329 V HA 0.099 4.218 4.120 -0.002 0.000 0.290 329 V C 0.251 176.299 176.094 -0.075 0.000 1.376 329 V CA 0.031 62.285 62.300 -0.078 0.000 1.083 329 V CB 0.826 32.609 31.823 -0.066 0.000 0.911 329 V HN 0.007 nan 8.190 nan 0.000 0.433 330 S N -0.062 115.585 115.700 -0.089 0.000 2.766 330 S HA 0.421 4.890 4.470 -0.002 0.000 0.307 330 S C 0.308 174.868 174.600 -0.067 0.000 1.121 330 S CA -0.626 57.530 58.200 -0.072 0.000 0.980 330 S CB 1.595 64.751 63.200 -0.074 0.000 1.159 330 S HN 0.287 nan 8.310 nan 0.000 0.546 331 D N 0.167 120.536 120.400 -0.050 0.000 2.360 331 D HA 0.328 4.967 4.640 -0.002 0.000 0.210 331 D C 0.769 177.047 176.300 -0.036 0.000 1.047 331 D CA 0.480 54.450 54.000 -0.049 0.000 0.854 331 D CB 0.621 41.394 40.800 -0.044 0.000 0.936 331 D HN 0.632 nan 8.370 nan 0.000 0.514 332 G N -0.106 108.682 108.800 -0.020 0.000 2.341 332 G HA2 0.431 4.389 3.960 -0.002 0.000 0.299 332 G HA3 0.431 4.389 3.960 -0.002 0.000 0.299 332 G C -1.919 172.996 174.900 0.026 0.000 1.274 332 G CA -0.549 44.557 45.100 0.011 0.000 0.853 332 G HN -0.060 nan 8.290 nan 0.000 0.493 333 I N 0.276 120.882 120.570 0.061 0.000 2.913 333 I HA 0.551 4.720 4.170 -0.002 0.000 0.302 333 I C -0.782 175.371 176.117 0.061 0.000 1.246 333 I CA -0.660 60.683 61.300 0.071 0.000 1.010 333 I CB 2.172 40.249 38.000 0.129 0.000 1.259 333 I HN 0.644 nan 8.210 nan 0.000 0.434 334 M N 4.955 124.572 119.600 0.028 0.000 2.253 334 M HA 0.452 4.930 4.480 -0.002 0.000 0.314 334 M C -1.545 174.730 176.300 -0.041 0.000 1.019 334 M CA -0.753 54.521 55.300 -0.043 0.000 0.932 334 M CB 1.778 34.297 32.600 -0.135 0.000 1.606 334 M HN 0.241 nan 8.290 nan 0.000 0.430 335 V N 4.859 124.747 119.914 -0.043 0.000 2.339 335 V HA 0.295 4.414 4.120 -0.002 0.000 0.261 335 V C 0.552 176.607 176.094 -0.064 0.000 1.058 335 V CA -0.337 61.941 62.300 -0.037 0.000 0.897 335 V CB 0.516 32.324 31.823 -0.025 0.000 1.052 335 V HN 0.881 nan 8.190 nan 0.000 0.480 336 A N 5.348 128.121 122.820 -0.078 0.000 3.078 336 A HA 0.339 4.658 4.320 -0.002 0.000 0.279 336 A C 1.534 179.079 177.584 -0.065 0.000 1.594 336 A CA -0.389 51.586 52.037 -0.104 0.000 1.301 336 A CB -0.422 18.475 19.000 -0.171 0.000 1.162 336 A HN 0.860 nan 8.150 nan 0.000 0.585 337 R N 1.005 121.479 120.500 -0.043 0.000 2.133 337 R HA -0.196 4.142 4.340 -0.002 0.000 0.247 337 R C 2.337 178.631 176.300 -0.010 0.000 1.151 337 R CA 1.813 57.902 56.100 -0.018 0.000 0.971 337 R CB -0.365 29.929 30.300 -0.009 0.000 0.866 337 R HN 0.742 nan 8.270 nan 0.000 0.447 338 G N 1.194 109.984 108.800 -0.016 0.000 2.863 338 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.217 338 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.217 338 G C 0.909 175.817 174.900 0.014 0.000 1.315 338 G CA 1.673 46.773 45.100 0.001 0.000 0.796 338 G HN 0.317 nan 8.290 nan 0.000 0.669 339 D N -0.048 120.363 120.400 0.018 0.000 2.162 339 D HA -0.014 4.625 4.640 -0.002 0.000 0.205 339 D C 2.521 178.851 176.300 0.050 0.000 0.964 339 D CA 0.549 54.597 54.000 0.079 0.000 0.847 339 D CB -0.182 40.759 40.800 0.235 0.000 0.988 339 D HN 0.185 nan 8.370 nan 0.000 0.480 340 L N 1.533 122.772 121.223 0.027 0.000 2.129 340 L HA -0.086 4.252 4.340 -0.002 0.000 0.212 340 L C 1.978 178.849 176.870 0.002 0.000 1.087 340 L CA 1.738 56.591 54.840 0.021 0.000 0.757 340 L CB -0.608 41.452 42.059 0.002 0.000 0.896 340 L HN 0.004 nan 8.230 nan 0.000 0.434 341 G N -1.422 107.375 108.800 -0.005 0.000 3.026 341 G HA2 0.071 4.030 3.960 -0.002 0.000 0.208 341 G HA3 0.071 4.030 3.960 -0.002 0.000 0.208 341 G C 1.244 176.112 174.900 -0.054 0.000 1.169 341 G CA 0.543 45.635 45.100 -0.012 0.000 0.788 341 G HN 0.507 nan 8.290 nan 0.000 0.533 342 I N -1.026 119.492 120.570 -0.086 0.000 3.971 342 I HA 0.126 4.295 4.170 -0.002 0.000 0.303 342 I C 1.820 177.787 176.117 -0.250 0.000 1.233 342 I CA 0.011 61.179 61.300 -0.220 0.000 1.346 342 I CB 0.058 37.930 38.000 -0.214 0.000 1.273 342 I HN -0.055 nan 8.210 nan 0.000 0.448 343 E N 2.278 122.408 120.200 -0.117 0.000 2.204 343 E HA -0.009 4.340 4.350 -0.002 0.000 0.195 343 E C 0.831 177.386 176.600 -0.075 0.000 0.990 343 E CA 0.956 57.308 56.400 -0.079 0.000 0.821 343 E CB 0.155 29.863 29.700 0.014 0.000 0.750 343 E HN 0.616 nan 8.360 nan 0.000 0.477 344 I N -3.087 117.447 120.570 -0.061 0.000 3.206 344 I HA 0.510 4.679 4.170 -0.002 0.000 0.313 344 I C -2.729 173.355 176.117 -0.054 0.000 1.103 344 I CA -3.019 58.252 61.300 -0.048 0.000 0.985 344 I CB 2.082 40.094 38.000 0.021 0.000 1.240 344 I HN -0.372 nan 8.210 nan 0.000 0.464 345 P HA 0.169 nan 4.420 nan 0.000 0.269 345 P C 0.136 177.440 177.300 0.007 0.000 1.209 345 P CA -0.117 62.975 63.100 -0.014 0.000 0.776 345 P CB 1.062 32.763 31.700 0.002 0.000 0.876 346 A N 2.770 125.600 122.820 0.017 0.000 2.121 346 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 346 A C 1.438 179.067 177.584 0.076 0.000 1.154 346 A CA 1.264 53.323 52.037 0.037 0.000 0.679 346 A CB -0.828 18.194 19.000 0.036 0.000 0.795 346 A HN 0.555 nan 8.150 nan 0.000 0.458 347 E N 0.407 120.658 120.200 0.084 0.000 2.418 347 E HA -0.056 4.293 4.350 -0.002 0.000 0.197 347 E C 1.411 178.138 176.600 0.211 0.000 1.026 347 E CA 1.013 57.500 56.400 0.145 0.000 0.862 347 E CB -0.161 29.611 29.700 0.120 0.000 0.799 347 E HN 0.620 nan 8.360 nan 0.000 0.518 348 K N 0.119 120.576 120.400 0.095 0.000 2.353 348 K HA 0.143 4.462 4.320 -0.002 0.000 0.195 348 K C 1.537 178.098 176.600 -0.065 0.000 1.031 348 K CA 0.078 56.362 56.287 -0.005 0.000 1.079 348 K CB 0.525 33.011 32.500 -0.023 0.000 0.857 348 K HN -0.038 nan 8.250 nan 0.000 0.535 349 V N 2.083 122.011 119.914 0.024 0.000 2.231 349 V HA -0.332 3.787 4.120 -0.002 0.000 0.248 349 V C 2.134 178.209 176.094 -0.031 0.000 1.054 349 V CA 2.311 64.615 62.300 0.007 0.000 1.015 349 V CB -0.838 31.014 31.823 0.048 0.000 0.638 349 V HN 0.391 nan 8.190 nan 0.000 0.444 350 F N 1.059 120.999 119.950 -0.018 0.000 2.141 350 F HA -0.257 4.269 4.527 -0.002 0.000 0.300 350 F C 1.901 177.684 175.800 -0.029 0.000 1.079 350 F CA 1.959 59.946 58.000 -0.020 0.000 1.264 350 F CB -1.162 37.831 39.000 -0.012 0.000 1.011 350 F HN 0.123 nan 8.300 nan 0.000 0.487 351 L N 0.793 121.389 121.223 -1.045 0.000 2.005 351 L HA -0.096 4.243 4.340 -0.002 0.000 0.207 351 L C 3.069 179.735 176.870 -0.339 0.000 1.072 351 L CA 1.298 55.719 54.840 -0.699 0.000 0.744 351 L CB -1.487 40.188 42.059 -0.641 0.000 0.895 351 L HN 0.322 nan 8.230 nan 0.000 0.433 352 A N -0.087 122.583 122.820 -0.249 0.000 1.865 352 A HA -0.327 3.992 4.320 -0.002 0.000 0.217 352 A C 2.315 179.796 177.584 -0.172 0.000 1.191 352 A CA 2.165 54.087 52.037 -0.191 0.000 0.623 352 A CB -0.862 18.061 19.000 -0.127 0.000 0.826 352 A HN 0.542 nan 8.150 nan 0.000 0.444 353 Q N -0.150 119.584 119.800 -0.110 0.000 2.062 353 Q HA -0.291 4.048 4.340 -0.002 0.000 0.209 353 Q C 2.022 177.971 176.000 -0.084 0.000 0.996 353 Q CA 2.407 58.167 55.803 -0.072 0.000 0.859 353 Q CB -0.245 28.486 28.738 -0.011 0.000 0.920 353 Q HN 0.683 nan 8.270 nan 0.000 0.415 354 K N -0.027 120.325 120.400 -0.080 0.000 2.026 354 K HA -0.143 4.176 4.320 -0.002 0.000 0.208 354 K C 2.289 178.827 176.600 -0.103 0.000 1.048 354 K CA 1.404 57.657 56.287 -0.057 0.000 0.929 354 K CB -0.323 32.168 32.500 -0.015 0.000 0.713 354 K HN 0.389 nan 8.250 nan 0.000 0.439 355 M N 0.913 120.415 119.600 -0.164 0.000 2.082 355 M HA -0.229 4.250 4.480 -0.002 0.000 0.258 355 M C 2.063 178.190 176.300 -0.289 0.000 1.069 355 M CA 1.812 56.984 55.300 -0.212 0.000 1.102 355 M CB -0.212 32.232 32.600 -0.260 0.000 1.336 355 M HN 0.225 nan 8.290 nan 0.000 0.404 356 M N -0.083 119.302 119.600 -0.358 0.000 2.077 356 M HA -0.206 4.272 4.480 -0.002 0.000 0.261 356 M C 2.159 178.378 176.300 -0.135 0.000 1.070 356 M CA 1.543 56.577 55.300 -0.442 0.000 1.125 356 M CB -0.514 31.883 32.600 -0.338 0.000 1.339 356 M HN 0.280 nan 8.290 nan 0.000 0.409 357 I N 0.062 120.591 120.570 -0.068 0.000 2.236 357 I HA -0.288 3.880 4.170 -0.002 0.000 0.249 357 I C 2.465 178.585 176.117 0.006 0.000 1.102 357 I CA 1.625 62.921 61.300 -0.005 0.000 1.365 357 I CB -1.150 36.847 38.000 -0.005 0.000 1.051 357 I HN 0.424 nan 8.210 nan 0.000 0.420 358 G N 0.540 109.323 108.800 -0.029 0.000 2.453 358 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.215 358 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.215 358 G C 1.750 176.667 174.900 0.029 0.000 1.201 358 G CA 0.581 45.676 45.100 -0.009 0.000 0.784 358 G HN 0.249 nan 8.290 nan 0.000 0.545 359 R N -0.564 119.944 120.500 0.013 0.000 2.103 359 R HA -0.113 4.226 4.340 -0.002 0.000 0.234 359 R C 2.756 179.162 176.300 0.176 0.000 1.132 359 R CA 1.664 57.831 56.100 0.111 0.000 0.925 359 R CB -1.122 29.278 30.300 0.167 0.000 0.842 359 R HN 0.391 nan 8.270 nan 0.000 0.430 360 C N 0.516 119.946 119.300 0.217 0.000 2.318 360 C HA -0.236 4.223 4.460 -0.002 0.000 0.272 360 C C 2.297 177.369 174.990 0.136 0.000 1.156 360 C CA 1.349 60.468 59.018 0.169 0.000 1.783 360 C CB -1.419 26.413 27.740 0.153 0.000 2.023 360 C HN 0.610 nan 8.230 nan 0.000 0.437 361 N N -0.005 118.771 118.700 0.127 0.000 2.049 361 N HA -0.248 4.491 4.740 -0.002 0.000 0.198 361 N C 1.559 177.233 175.510 0.273 0.000 1.030 361 N CA 1.744 54.893 53.050 0.165 0.000 0.870 361 N CB -0.382 38.169 38.487 0.107 0.000 1.045 361 N HN 0.417 nan 8.380 nan 0.000 0.434 362 L N 0.923 122.275 121.223 0.215 0.000 2.043 362 L HA -0.203 4.136 4.340 -0.002 0.000 0.212 362 L C 2.252 179.361 176.870 0.399 0.000 1.075 362 L CA 1.587 56.589 54.840 0.270 0.000 0.752 362 L CB -0.288 41.870 42.059 0.164 0.000 0.891 362 L HN 0.178 nan 8.230 nan 0.000 0.432 363 A N -1.575 121.368 122.820 0.205 0.000 2.119 363 A HA 0.264 4.582 4.320 -0.002 0.000 0.216 363 A C 1.703 179.145 177.584 -0.236 0.000 1.152 363 A CA 0.814 52.876 52.037 0.042 0.000 0.708 363 A CB -0.530 18.474 19.000 0.007 0.000 0.805 363 A HN 0.641 nan 8.150 nan 0.000 0.460 364 G N -0.962 107.705 108.800 -0.221 0.000 2.132 364 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.234 364 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.234 364 G C 0.007 174.679 174.900 -0.379 0.000 0.989 364 G CA 0.398 44.998 45.100 -0.834 0.000 0.676 364 G HN 0.561 nan 8.290 nan 0.000 0.522 365 K N 0.457 120.764 120.400 -0.154 0.000 2.203 365 K HA 0.558 4.877 4.320 -0.002 0.000 0.251 365 K C -2.794 173.797 176.600 -0.016 0.000 0.944 365 K CA -2.083 54.147 56.287 -0.094 0.000 0.829 365 K CB 2.445 34.895 32.500 -0.083 0.000 1.125 365 K HN -0.018 nan 8.250 nan 0.000 0.430 366 P HA 0.153 nan 4.420 nan 0.000 0.279 366 P C -1.017 176.313 177.300 0.049 0.000 1.239 366 P CA -0.512 62.605 63.100 0.029 0.000 0.789 366 P CB 0.987 32.707 31.700 0.033 0.000 0.933 367 V N 3.799 123.747 119.914 0.057 0.000 2.823 367 V HA 0.540 4.658 4.120 -0.002 0.000 0.312 367 V C -0.993 175.129 176.094 0.045 0.000 1.072 367 V CA -0.888 61.448 62.300 0.060 0.000 0.937 367 V CB 2.469 34.330 31.823 0.063 0.000 1.013 367 V HN 0.197 nan 8.190 nan 0.000 0.430 368 V N 4.823 124.753 119.914 0.027 0.000 2.680 368 V HA 0.503 4.622 4.120 -0.002 0.000 0.309 368 V C -0.325 175.746 176.094 -0.038 0.000 1.052 368 V CA -0.625 61.668 62.300 -0.012 0.000 0.908 368 V CB 1.682 33.472 31.823 -0.054 0.000 1.001 368 V HN 1.032 nan 8.190 nan 0.000 0.431 369 C N 4.727 124.005 119.300 -0.037 0.000 2.322 369 C HA 0.923 5.382 4.460 -0.002 0.000 0.324 369 C C 0.344 175.302 174.990 -0.053 0.000 1.284 369 C CA 0.004 59.002 59.018 -0.033 0.000 1.606 369 C CB -0.312 27.422 27.740 -0.011 0.000 2.251 369 C HN 1.125 nan 8.230 nan 0.000 0.502 370 A N 4.225 127.010 122.820 -0.059 0.000 2.527 370 A HA 0.931 5.250 4.320 -0.002 0.000 0.293 370 A C -0.127 177.428 177.584 -0.048 0.000 1.117 370 A CA -0.149 51.843 52.037 -0.076 0.000 0.723 370 A CB 0.955 19.875 19.000 -0.133 0.000 1.313 370 A HN 1.491 nan 8.150 nan 0.000 0.411 371 T N 1.531 116.059 114.554 -0.043 0.000 0.564 371 T HA -0.099 4.249 4.350 -0.002 0.000 0.771 371 T C -0.004 174.693 174.700 -0.005 0.000 0.992 371 T CA 0.988 63.075 62.100 -0.022 0.000 4.064 371 T CB -1.260 67.593 68.868 -0.025 0.000 2.295 371 T HN 1.589 nan 8.240 nan 0.000 0.396 372 Q N -0.005 119.798 119.800 0.005 0.000 2.502 372 Q HA -0.234 4.105 4.340 -0.002 0.000 0.273 372 Q C 1.266 177.273 176.000 0.011 0.000 1.127 372 Q CA 1.384 57.194 55.803 0.012 0.000 0.952 372 Q CB -1.364 27.384 28.738 0.016 0.000 1.333 372 Q HN 0.849 nan 8.270 nan 0.000 0.494 373 M N -0.831 118.773 119.600 0.008 0.000 2.288 373 M HA -0.049 4.430 4.480 -0.002 0.000 0.266 373 M C 0.875 177.182 176.300 0.010 0.000 1.072 373 M CA 1.074 56.379 55.300 0.008 0.000 1.132 373 M CB 0.216 32.819 32.600 0.005 0.000 1.386 373 M HN 0.141 nan 8.290 nan 0.000 0.432 374 L N -0.426 120.806 121.223 0.015 0.000 3.267 374 L HA 0.196 4.534 4.340 -0.002 0.000 0.289 374 L C 1.494 178.378 176.870 0.024 0.000 1.260 374 L CA 0.246 55.096 54.840 0.018 0.000 1.034 374 L CB -0.109 41.963 42.059 0.022 0.000 1.413 374 L HN 0.091 nan 8.230 nan 0.000 0.594 375 E N 0.110 120.324 120.200 0.024 0.000 2.114 375 E HA -0.279 4.070 4.350 -0.002 0.000 0.199 375 E C 2.009 178.630 176.600 0.036 0.000 1.008 375 E CA 1.886 58.304 56.400 0.031 0.000 0.810 375 E CB 0.154 29.870 29.700 0.028 0.000 0.739 375 E HN 0.621 nan 8.360 nan 0.000 0.456 376 S N 0.509 116.225 115.700 0.026 0.000 2.419 376 S HA -0.138 4.331 4.470 -0.002 0.000 0.235 376 S C 1.987 176.612 174.600 0.042 0.000 1.019 376 S CA 0.937 59.154 58.200 0.027 0.000 0.982 376 S CB -0.346 62.860 63.200 0.011 0.000 0.789 376 S HN 0.207 nan 8.310 nan 0.000 0.490 377 M N 0.636 120.260 119.600 0.041 0.000 2.446 377 M HA 0.064 4.542 4.480 -0.002 0.000 0.263 377 M C 1.818 178.220 176.300 0.171 0.000 1.066 377 M CA 0.947 56.293 55.300 0.076 0.000 1.087 377 M CB -0.741 31.892 32.600 0.056 0.000 1.406 377 M HN 0.343 nan 8.290 nan 0.000 0.459 378 I N -0.186 120.455 120.570 0.118 0.000 2.399 378 I HA -0.284 3.885 4.170 -0.002 0.000 0.254 378 I C 1.785 177.990 176.117 0.146 0.000 1.146 378 I CA 1.270 62.638 61.300 0.113 0.000 1.412 378 I CB -0.164 37.875 38.000 0.066 0.000 1.076 378 I HN 0.280 nan 8.210 nan 0.000 0.432 379 T N -0.988 113.665 114.554 0.165 0.000 2.959 379 T HA 0.203 4.552 4.350 -0.002 0.000 0.254 379 T C 0.292 175.164 174.700 0.286 0.000 1.003 379 T CA 0.019 62.224 62.100 0.176 0.000 0.950 379 T CB 0.560 69.487 68.868 0.099 0.000 1.090 379 T HN 0.081 nan 8.240 nan 0.000 0.503 380 K N 1.473 122.009 120.400 0.227 0.000 2.464 380 K HA 0.352 4.671 4.320 -0.002 0.000 0.253 380 K C -2.420 173.945 176.600 -0.391 0.000 0.933 380 K CA -2.092 54.205 56.287 0.018 0.000 0.801 380 K CB 2.623 35.116 32.500 -0.013 0.000 1.271 380 K HN -0.269 nan 8.250 nan 0.000 0.430 381 P HA 0.008 nan 4.420 nan 0.000 0.245 381 P C -0.493 176.510 177.300 -0.495 0.000 1.212 381 P CA 0.381 62.781 63.100 -1.167 0.000 0.774 381 P CB 0.515 31.636 31.700 -0.966 0.000 0.999 382 R N -0.032 120.300 120.500 -0.280 0.000 2.725 382 R HA 0.523 4.862 4.340 -0.002 0.000 0.277 382 R C -2.911 173.333 176.300 -0.095 0.000 0.987 382 R CA -2.341 53.667 56.100 -0.154 0.000 0.901 382 R CB 0.833 31.065 30.300 -0.112 0.000 1.207 382 R HN -0.084 nan 8.270 nan 0.000 0.463 383 P HA 0.179 nan 4.420 nan 0.000 0.279 383 P C -0.044 177.239 177.300 -0.028 0.000 1.252 383 P CA -0.394 62.685 63.100 -0.035 0.000 0.811 383 P CB 0.481 32.167 31.700 -0.023 0.000 1.035 384 T N -0.667 113.876 114.554 -0.018 0.000 2.766 384 T HA 0.169 4.518 4.350 -0.002 0.000 0.295 384 T C 1.383 176.074 174.700 -0.015 0.000 1.024 384 T CA -0.487 61.604 62.100 -0.015 0.000 1.018 384 T CB 0.425 69.288 68.868 -0.009 0.000 1.002 384 T HN 0.148 nan 8.240 nan 0.000 0.532 385 R N 1.014 121.505 120.500 -0.015 0.000 2.081 385 R HA 0.016 4.355 4.340 -0.002 0.000 0.235 385 R C 2.822 179.114 176.300 -0.014 0.000 1.131 385 R CA 1.533 57.624 56.100 -0.015 0.000 0.960 385 R CB -2.051 28.239 30.300 -0.016 0.000 0.856 385 R HN 0.866 nan 8.270 nan 0.000 0.436 386 A N 1.768 124.580 122.820 -0.013 0.000 1.894 386 A HA -0.311 4.008 4.320 -0.002 0.000 0.220 386 A C 2.120 179.699 177.584 -0.008 0.000 1.237 386 A CA 2.336 54.366 52.037 -0.011 0.000 0.660 386 A CB -0.583 18.411 19.000 -0.009 0.000 0.835 386 A HN 0.490 nan 8.150 nan 0.000 0.461 387 E N -1.492 118.705 120.200 -0.005 0.000 2.001 387 E HA -0.081 4.268 4.350 -0.002 0.000 0.193 387 E C 2.128 178.727 176.600 -0.002 0.000 0.994 387 E CA 1.300 57.699 56.400 -0.002 0.000 0.815 387 E CB -0.666 29.034 29.700 0.000 0.000 0.770 387 E HN 0.515 nan 8.360 nan 0.000 0.453 388 T N 0.768 115.319 114.554 -0.005 0.000 2.522 388 T HA -0.352 3.997 4.350 -0.002 0.000 0.253 388 T C 2.073 176.770 174.700 -0.004 0.000 1.218 388 T CA 2.366 64.463 62.100 -0.005 0.000 1.155 388 T CB -0.772 68.090 68.868 -0.010 0.000 0.855 388 T HN 0.294 nan 8.240 nan 0.000 0.435 389 S N 0.690 116.386 115.700 -0.007 0.000 2.420 389 S HA -0.219 4.250 4.470 -0.002 0.000 0.237 389 S C 1.814 176.414 174.600 -0.000 0.000 1.023 389 S CA 2.325 60.522 58.200 -0.005 0.000 0.991 389 S CB -0.597 62.596 63.200 -0.011 0.000 0.792 389 S HN 0.594 nan 8.310 nan 0.000 0.488 390 D N 0.314 120.714 120.400 0.000 0.000 2.117 390 D HA -0.068 4.571 4.640 -0.002 0.000 0.198 390 D C 1.894 178.199 176.300 0.010 0.000 0.982 390 D CA 1.364 55.367 54.000 0.005 0.000 0.828 390 D CB -0.340 40.463 40.800 0.006 0.000 0.967 390 D HN 0.309 nan 8.370 nan 0.000 0.464 391 V N 1.007 120.925 119.914 0.008 0.000 2.233 391 V HA -0.278 3.840 4.120 -0.002 0.000 0.247 391 V C 2.652 178.753 176.094 0.012 0.000 1.050 391 V CA 2.046 64.352 62.300 0.010 0.000 1.010 391 V CB -1.175 30.653 31.823 0.008 0.000 0.637 391 V HN 0.361 nan 8.190 nan 0.000 0.444 392 A N 0.488 123.315 122.820 0.011 0.000 1.927 392 A HA -0.302 4.017 4.320 -0.002 0.000 0.220 392 A C 2.039 179.639 177.584 0.025 0.000 1.185 392 A CA 2.361 54.408 52.037 0.016 0.000 0.639 392 A CB -0.820 18.188 19.000 0.014 0.000 0.820 392 A HN 0.668 nan 8.150 nan 0.000 0.451 393 N N 0.191 118.906 118.700 0.026 0.000 2.244 393 N HA -0.100 4.638 4.740 -0.002 0.000 0.183 393 N C 1.900 177.429 175.510 0.033 0.000 1.016 393 N CA 1.342 54.413 53.050 0.034 0.000 0.866 393 N CB -0.459 38.048 38.487 0.033 0.000 0.980 393 N HN 0.519 nan 8.380 nan 0.000 0.430 394 A N 0.876 123.711 122.820 0.026 0.000 1.933 394 A HA -0.069 4.249 4.320 -0.002 0.000 0.218 394 A C 2.546 180.145 177.584 0.025 0.000 1.175 394 A CA 1.183 53.234 52.037 0.023 0.000 0.628 394 A CB -0.573 18.437 19.000 0.016 0.000 0.814 394 A HN 0.106 nan 8.150 nan 0.000 0.444 395 V N -0.355 119.574 119.914 0.026 0.000 2.302 395 V HA -0.122 3.997 4.120 -0.002 0.000 0.243 395 V C 2.377 178.490 176.094 0.031 0.000 1.036 395 V CA 1.329 63.645 62.300 0.028 0.000 1.020 395 V CB -0.566 31.272 31.823 0.025 0.000 0.657 395 V HN 0.455 nan 8.190 nan 0.000 0.453 396 L N 0.423 121.669 121.223 0.037 0.000 2.189 396 L HA -0.209 4.130 4.340 -0.002 0.000 0.214 396 L C 2.148 179.037 176.870 0.033 0.000 1.097 396 L CA 1.851 56.718 54.840 0.045 0.000 0.764 396 L CB -1.540 40.562 42.059 0.070 0.000 0.900 396 L HN 0.415 nan 8.230 nan 0.000 0.436 397 D N -0.757 119.661 120.400 0.031 0.000 2.178 397 D HA -0.028 4.611 4.640 -0.002 0.000 0.202 397 D C 1.876 178.186 176.300 0.016 0.000 0.974 397 D CA 1.451 55.464 54.000 0.021 0.000 0.841 397 D CB 0.156 40.972 40.800 0.025 0.000 0.953 397 D HN 0.440 nan 8.370 nan 0.000 0.478 398 G N -0.465 108.350 108.800 0.024 0.000 2.425 398 G HA2 -0.045 3.913 3.960 -0.002 0.000 0.177 398 G HA3 -0.045 3.913 3.960 -0.002 0.000 0.177 398 G C 0.463 175.386 174.900 0.039 0.000 0.999 398 G CA 0.099 45.218 45.100 0.032 0.000 0.723 398 G HN 0.543 nan 8.290 nan 0.000 0.491 399 A N 0.747 123.586 122.820 0.031 0.000 2.615 399 A HA 0.258 4.577 4.320 -0.002 0.000 0.240 399 A C 1.272 178.878 177.584 0.037 0.000 1.003 399 A CA 1.453 53.509 52.037 0.030 0.000 0.778 399 A CB 0.102 19.116 19.000 0.023 0.000 0.907 399 A HN 0.340 nan 8.150 nan 0.000 0.507 400 D N 0.501 120.925 120.400 0.040 0.000 2.137 400 D HA 0.015 4.653 4.640 -0.002 0.000 0.202 400 D C 0.451 176.772 176.300 0.035 0.000 0.970 400 D CA 1.740 55.765 54.000 0.042 0.000 0.837 400 D CB 0.095 40.923 40.800 0.048 0.000 0.981 400 D HN 0.724 nan 8.370 nan 0.000 0.475 401 C N 0.649 119.968 119.300 0.032 0.000 3.080 401 C HA 0.732 5.191 4.460 -0.002 0.000 0.307 401 C C -0.272 174.724 174.990 0.010 0.000 1.311 401 C CA -1.230 57.802 59.018 0.024 0.000 1.533 401 C CB 1.971 29.733 27.740 0.037 0.000 1.970 401 C HN 0.240 nan 8.230 nan 0.000 0.467 402 I N -0.405 120.168 120.570 0.005 0.000 2.647 402 I HA 0.788 4.956 4.170 -0.002 0.000 0.295 402 I C -1.129 174.983 176.117 -0.008 0.000 1.078 402 I CA -0.705 60.593 61.300 -0.005 0.000 1.048 402 I CB 1.832 39.835 38.000 0.005 0.000 1.239 402 I HN 0.923 nan 8.210 nan 0.000 0.421 403 M N 5.898 125.484 119.600 -0.024 0.000 2.777 403 M HA 0.709 5.188 4.480 -0.002 0.000 0.307 403 M C -2.052 174.240 176.300 -0.014 0.000 1.228 403 M CA -0.632 54.649 55.300 -0.031 0.000 0.871 403 M CB 2.597 35.145 32.600 -0.086 0.000 1.721 403 M HN 0.701 nan 8.290 nan 0.000 0.487 404 L N 1.235 122.456 121.223 -0.003 0.000 2.436 404 L HA 0.504 4.843 4.340 -0.002 0.000 0.268 404 L C -0.594 176.286 176.870 0.016 0.000 0.974 404 L CA -0.357 54.491 54.840 0.013 0.000 0.826 404 L CB 2.401 44.475 42.059 0.026 0.000 1.291 404 L HN 0.864 nan 8.230 nan 0.000 0.406 405 S N 0.761 116.473 115.700 0.019 0.000 3.128 405 S HA 0.176 4.645 4.470 -0.002 0.000 0.171 405 S C 1.578 176.198 174.600 0.034 0.000 0.707 405 S CA 0.446 58.662 58.200 0.027 0.000 0.851 405 S CB -0.216 62.996 63.200 0.021 0.000 0.872 405 S HN 0.877 nan 8.310 nan 0.000 0.724 406 G N 1.839 110.657 108.800 0.031 0.000 2.556 406 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.220 406 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.220 406 G C 1.062 175.985 174.900 0.038 0.000 1.156 406 G CA 1.761 46.878 45.100 0.029 0.000 0.766 406 G HN 0.522 nan 8.290 nan 0.000 0.583 407 E N 0.009 120.236 120.200 0.044 0.000 2.187 407 E HA -0.120 4.228 4.350 -0.002 0.000 0.199 407 E C 2.710 179.346 176.600 0.061 0.000 1.004 407 E CA 1.897 58.333 56.400 0.059 0.000 0.813 407 E CB -0.475 29.259 29.700 0.055 0.000 0.736 407 E HN 0.669 nan 8.360 nan 0.000 0.468 408 T N -3.711 110.873 114.554 0.050 0.000 2.990 408 T HA 0.444 4.793 4.350 -0.002 0.000 0.250 408 T C 1.771 176.496 174.700 0.043 0.000 1.041 408 T CA 0.218 62.347 62.100 0.048 0.000 1.010 408 T CB 0.353 69.250 68.868 0.047 0.000 1.003 408 T HN 0.147 nan 8.240 nan 0.000 0.499 409 A N 1.357 124.202 122.820 0.042 0.000 2.081 409 A HA 0.417 4.736 4.320 -0.002 0.000 0.214 409 A C 2.090 179.689 177.584 0.024 0.000 1.158 409 A CA 0.547 52.610 52.037 0.043 0.000 0.724 409 A CB -0.062 18.968 19.000 0.050 0.000 0.826 409 A HN 0.409 nan 8.150 nan 0.000 0.463 410 K N -1.788 118.620 120.400 0.014 0.000 2.538 410 K HA 0.201 4.520 4.320 -0.002 0.000 0.215 410 K C 0.786 177.381 176.600 -0.009 0.000 1.345 410 K CA 0.409 56.695 56.287 -0.003 0.000 0.985 410 K CB 1.057 33.551 32.500 -0.009 0.000 1.116 410 K HN 0.349 nan 8.250 nan 0.000 0.582 411 G N 0.267 109.069 108.800 0.003 0.000 2.437 411 G HA2 0.070 4.029 3.960 -0.002 0.000 0.319 411 G HA3 0.070 4.029 3.960 -0.002 0.000 0.319 411 G C 0.126 174.989 174.900 -0.061 0.000 1.158 411 G CA -0.504 44.600 45.100 0.006 0.000 0.899 411 G HN 0.033 nan 8.290 nan 0.000 0.502 412 N N -0.495 118.120 118.700 -0.143 0.000 2.585 412 N HA -0.048 4.691 4.740 -0.002 0.000 0.188 412 N C -0.278 174.734 175.510 -0.829 0.000 1.102 412 N CA 0.813 53.575 53.050 -0.480 0.000 0.920 412 N CB -0.084 38.031 38.487 -0.621 0.000 0.963 412 N HN 0.424 nan 8.380 nan 0.000 0.447 413 F N -0.808 119.150 119.950 0.013 0.000 2.584 413 F HA 0.352 4.877 4.527 -0.002 0.000 0.328 413 F C -1.827 173.983 175.800 0.017 0.000 1.407 413 F CA -1.836 56.173 58.000 0.015 0.000 1.145 413 F CB 1.866 40.875 39.000 0.015 0.000 1.440 413 F HN -0.167 nan 8.300 nan 0.000 0.580 414 P HA -0.122 nan 4.420 nan 0.000 0.213 414 P C 1.985 179.340 177.300 0.092 0.000 1.170 414 P CA 1.052 64.203 63.100 0.084 0.000 0.889 414 P CB 0.405 32.132 31.700 0.044 0.000 0.782 415 V N 0.235 120.202 119.914 0.088 0.000 2.287 415 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 415 V C 2.300 178.448 176.094 0.090 0.000 1.053 415 V CA 2.188 64.534 62.300 0.078 0.000 1.027 415 V CB -1.429 30.437 31.823 0.072 0.000 0.646 415 V HN 0.093 nan 8.190 nan 0.000 0.447 416 E N 0.827 121.105 120.200 0.130 0.000 2.058 416 E HA -0.175 4.174 4.350 -0.002 0.000 0.194 416 E C 2.268 178.915 176.600 0.079 0.000 0.997 416 E CA 1.523 57.985 56.400 0.104 0.000 0.801 416 E CB -0.865 28.906 29.700 0.118 0.000 0.746 416 E HN 0.564 nan 8.360 nan 0.000 0.450 417 A N 0.840 123.718 122.820 0.097 0.000 1.869 417 A HA -0.265 4.053 4.320 -0.002 0.000 0.218 417 A C 2.567 180.188 177.584 0.061 0.000 1.203 417 A CA 2.142 54.222 52.037 0.072 0.000 0.638 417 A CB -1.181 17.867 19.000 0.080 0.000 0.831 417 A HN 0.162 nan 8.150 nan 0.000 0.450 418 V N 0.095 120.046 119.914 0.062 0.000 2.282 418 V HA -0.332 3.787 4.120 -0.002 0.000 0.249 418 V C 2.519 178.659 176.094 0.076 0.000 1.057 418 V CA 2.533 64.867 62.300 0.057 0.000 1.032 418 V CB -0.719 31.127 31.823 0.038 0.000 0.645 418 V HN 0.573 nan 8.190 nan 0.000 0.447 419 K N -1.103 119.340 120.400 0.071 0.000 2.113 419 K HA -0.270 4.049 4.320 -0.002 0.000 0.208 419 K C 2.123 178.793 176.600 0.116 0.000 1.047 419 K CA 2.147 58.489 56.287 0.092 0.000 0.928 419 K CB -0.242 32.300 32.500 0.069 0.000 0.716 419 K HN 0.357 nan 8.250 nan 0.000 0.446 420 M N 1.112 120.757 119.600 0.075 0.000 2.062 420 M HA -0.203 4.276 4.480 -0.002 0.000 0.259 420 M C 2.012 178.346 176.300 0.057 0.000 1.076 420 M CA 1.616 56.948 55.300 0.054 0.000 1.122 420 M CB -0.082 32.534 32.600 0.026 0.000 1.312 420 M HN 0.040 nan 8.290 nan 0.000 0.412 421 Q N -1.054 118.781 119.800 0.057 0.000 2.207 421 Q HA -0.346 3.993 4.340 -0.002 0.000 0.215 421 Q C 2.045 178.085 176.000 0.067 0.000 1.006 421 Q CA 2.486 58.320 55.803 0.053 0.000 0.903 421 Q CB -0.983 27.787 28.738 0.054 0.000 0.947 421 Q HN 0.727 nan 8.270 nan 0.000 0.414 422 H N 0.159 119.242 119.070 0.021 0.000 2.307 422 H HA 0.002 4.557 4.556 -0.002 0.000 0.303 422 H C 1.994 177.342 175.328 0.033 0.000 1.073 422 H CA 1.886 57.951 56.048 0.029 0.000 1.338 422 H CB -0.231 29.549 29.762 0.031 0.000 1.389 422 H HN 0.239 nan 8.280 nan 0.000 0.503 423 A N 1.226 124.023 122.820 -0.038 0.000 1.851 423 A HA -0.158 4.161 4.320 -0.002 0.000 0.216 423 A C 2.626 180.152 177.584 -0.097 0.000 1.195 423 A CA 1.894 53.873 52.037 -0.095 0.000 0.622 423 A CB -1.103 17.900 19.000 0.006 0.000 0.831 423 A HN 0.537 nan 8.150 nan 0.000 0.444 424 I N -0.220 120.324 120.570 -0.043 0.000 2.113 424 I HA -0.384 3.785 4.170 -0.002 0.000 0.242 424 I C 2.986 179.079 176.117 -0.040 0.000 1.064 424 I CA 1.472 62.754 61.300 -0.030 0.000 1.320 424 I CB -0.480 37.514 38.000 -0.010 0.000 1.028 424 I HN 0.402 nan 8.210 nan 0.000 0.406 425 A N 0.381 123.171 122.820 -0.051 0.000 1.933 425 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 425 A C 2.402 179.951 177.584 -0.057 0.000 1.175 425 A CA 1.309 53.322 52.037 -0.040 0.000 0.628 425 A CB -0.551 18.435 19.000 -0.023 0.000 0.814 425 A HN 0.306 nan 8.150 nan 0.000 0.444 426 R N -0.372 120.046 120.500 -0.136 0.000 2.094 426 R HA -0.150 4.189 4.340 -0.002 0.000 0.239 426 R C 2.070 178.351 176.300 -0.031 0.000 1.137 426 R CA 1.671 57.707 56.100 -0.106 0.000 0.943 426 R CB -0.396 29.793 30.300 -0.186 0.000 0.850 426 R HN 0.598 nan 8.270 nan 0.000 0.433 427 E N 0.335 120.517 120.200 -0.030 0.000 2.028 427 E HA -0.131 4.217 4.350 -0.002 0.000 0.191 427 E C 2.063 178.672 176.600 0.015 0.000 0.988 427 E CA 1.159 57.557 56.400 -0.003 0.000 0.799 427 E CB -0.420 29.274 29.700 -0.010 0.000 0.755 427 E HN 0.288 nan 8.360 nan 0.000 0.447 428 A N 1.730 124.556 122.820 0.011 0.000 1.884 428 A HA -0.298 4.021 4.320 -0.002 0.000 0.219 428 A C 2.091 179.698 177.584 0.039 0.000 1.197 428 A CA 2.269 54.322 52.037 0.026 0.000 0.637 428 A CB -0.758 18.254 19.000 0.020 0.000 0.827 428 A HN 0.271 nan 8.150 nan 0.000 0.450 429 E N -0.646 119.575 120.200 0.036 0.000 2.150 429 E HA -0.025 4.324 4.350 -0.002 0.000 0.193 429 E C 2.200 178.848 176.600 0.080 0.000 0.985 429 E CA 0.922 57.354 56.400 0.055 0.000 0.814 429 E CB -0.268 29.473 29.700 0.068 0.000 0.752 429 E HN 0.646 nan 8.360 nan 0.000 0.466 430 A N 0.980 123.847 122.820 0.078 0.000 2.014 430 A HA 0.065 4.384 4.320 -0.002 0.000 0.218 430 A C 2.073 179.726 177.584 0.115 0.000 1.163 430 A CA 1.181 53.280 52.037 0.103 0.000 0.652 430 A CB -0.153 18.892 19.000 0.074 0.000 0.808 430 A HN 0.227 nan 8.150 nan 0.000 0.449 431 A N -0.238 122.638 122.820 0.093 0.000 2.476 431 A HA 0.503 4.822 4.320 -0.002 0.000 0.263 431 A C 0.253 177.941 177.584 0.173 0.000 1.342 431 A CA -0.142 51.969 52.037 0.123 0.000 0.926 431 A CB -0.476 18.569 19.000 0.074 0.000 1.019 431 A HN 0.161 nan 8.150 nan 0.000 0.515 432 V N 0.215 120.178 119.914 0.082 0.000 2.465 432 V HA 0.064 4.183 4.120 -0.002 0.000 0.279 432 V C 0.210 176.303 176.094 -0.003 0.000 1.045 432 V CA -0.426 61.857 62.300 -0.029 0.000 0.938 432 V CB 0.837 32.498 31.823 -0.271 0.000 0.986 432 V HN 0.496 nan 8.190 nan 0.000 0.467 433 Y N 5.368 125.586 120.300 -0.137 0.000 2.734 433 Y HA 0.161 4.709 4.550 -0.003 0.000 0.353 433 Y C 1.729 177.538 175.900 -0.151 0.000 1.244 433 Y CA -0.521 57.428 58.100 -0.251 0.000 1.950 433 Y CB -1.064 37.071 38.460 -0.541 0.000 2.028 433 Y HN 0.731 nan 8.280 nan 0.000 0.421 434 H N 0.953 120.015 119.070 -0.014 0.000 2.357 434 H HA -0.276 4.278 4.556 -0.002 0.000 0.296 434 H C 2.340 177.473 175.328 -0.325 0.000 1.108 434 H CA 2.011 58.012 56.048 -0.078 0.000 1.273 434 H CB 0.128 29.919 29.762 0.048 0.000 1.367 434 H HN 0.508 nan 8.280 nan 0.000 0.498 435 R N 0.767 121.011 120.500 -0.427 0.000 2.179 435 R HA -0.290 4.049 4.340 -0.002 0.000 0.238 435 R C 2.501 178.449 176.300 -0.587 0.000 1.119 435 R CA 2.562 58.305 56.100 -0.596 0.000 0.915 435 R CB -0.384 29.465 30.300 -0.752 0.000 0.870 435 R HN 0.442 nan 8.270 nan 0.000 0.432 436 Q N -0.018 119.227 119.800 -0.925 0.000 2.170 436 Q HA -0.175 4.163 4.340 -0.002 0.000 0.203 436 Q C 2.098 177.945 176.000 -0.255 0.000 0.976 436 Q CA 1.518 57.048 55.803 -0.455 0.000 0.858 436 Q CB -0.143 28.435 28.738 -0.267 0.000 0.907 436 Q HN 0.369 nan 8.270 nan 0.000 0.433 437 L N 0.259 121.349 121.223 -0.223 0.000 1.988 437 L HA -0.114 4.225 4.340 -0.002 0.000 0.207 437 L C 2.053 178.952 176.870 0.049 0.000 1.071 437 L CA 1.851 56.651 54.840 -0.066 0.000 0.744 437 L CB -1.413 40.633 42.059 -0.022 0.000 0.893 437 L HN 0.383 nan 8.230 nan 0.000 0.433 438 F N 1.197 121.085 119.950 -0.104 0.000 2.043 438 F HA -0.231 4.296 4.527 0.001 0.000 0.297 438 F C 2.363 178.102 175.800 -0.101 0.000 1.121 438 F CA 2.089 60.050 58.000 -0.064 0.000 1.199 438 F CB -0.895 37.996 39.000 -0.182 0.000 0.968 438 F HN 0.344 nan 8.300 nan 0.000 0.478 439 E N 0.241 120.295 120.200 -0.244 0.000 2.037 439 E HA -0.314 4.035 4.350 -0.002 0.000 0.214 439 E C 2.102 178.576 176.600 -0.211 0.000 1.041 439 E CA 2.177 58.376 56.400 -0.336 0.000 0.872 439 E CB -0.529 29.016 29.700 -0.258 0.000 0.785 439 E HN 0.548 nan 8.360 nan 0.000 0.476 440 E N 0.550 120.669 120.200 -0.135 0.000 2.108 440 E HA -0.259 4.089 4.350 -0.002 0.000 0.203 440 E C 2.339 178.889 176.600 -0.085 0.000 1.022 440 E CA 1.185 57.526 56.400 -0.097 0.000 0.823 440 E CB -0.385 29.267 29.700 -0.080 0.000 0.744 440 E HN 0.233 nan 8.360 nan 0.000 0.456 441 L N 0.673 121.859 121.223 -0.062 0.000 1.941 441 L HA -0.281 4.058 4.340 -0.002 0.000 0.224 441 L C 2.681 179.501 176.870 -0.083 0.000 1.081 441 L CA 1.768 56.554 54.840 -0.091 0.000 0.784 441 L CB -0.591 41.426 42.059 -0.070 0.000 0.894 441 L HN 0.089 nan 8.230 nan 0.000 0.436 442 R N -0.520 119.941 120.500 -0.065 0.000 2.165 442 R HA -0.290 4.048 4.340 -0.002 0.000 0.254 442 R C 2.396 178.639 176.300 -0.094 0.000 1.153 442 R CA 2.082 58.124 56.100 -0.098 0.000 0.971 442 R CB -0.607 29.517 30.300 -0.294 0.000 0.878 442 R HN 0.364 nan 8.270 nan 0.000 0.449 443 R N -0.147 120.287 120.500 -0.111 0.000 2.073 443 R HA -0.036 4.303 4.340 -0.002 0.000 0.229 443 R C 2.286 178.554 176.300 -0.053 0.000 1.120 443 R CA 1.292 57.343 56.100 -0.082 0.000 0.967 443 R CB -0.086 30.162 30.300 -0.087 0.000 0.862 443 R HN 0.274 nan 8.270 nan 0.000 0.436 444 A N 0.831 123.617 122.820 -0.057 0.000 1.903 444 A HA 0.242 4.561 4.320 -0.002 0.000 0.213 444 A C 1.019 178.592 177.584 -0.017 0.000 1.185 444 A CA 0.591 52.609 52.037 -0.031 0.000 0.628 444 A CB -0.347 18.634 19.000 -0.031 0.000 0.830 444 A HN 0.375 nan 8.150 nan 0.000 0.446 445 A N 1.748 124.531 122.820 -0.063 0.000 2.580 445 A HA 0.412 4.730 4.320 -0.002 0.000 0.244 445 A C -1.802 175.801 177.584 0.032 0.000 1.045 445 A CA -0.547 51.460 52.037 -0.050 0.000 0.761 445 A CB -0.546 18.359 19.000 -0.159 0.000 0.962 445 A HN 0.404 nan 8.150 nan 0.000 0.512 446 P HA 0.267 nan 4.420 nan 0.000 0.274 446 P C -0.054 177.299 177.300 0.089 0.000 1.256 446 P CA -0.379 62.770 63.100 0.082 0.000 0.795 446 P CB 0.424 32.184 31.700 0.099 0.000 1.038 447 L N 0.080 121.343 121.223 0.067 0.000 2.476 447 L HA 0.319 4.658 4.340 -0.002 0.000 0.264 447 L C 1.076 178.001 176.870 0.091 0.000 1.224 447 L CA 0.546 55.426 54.840 0.067 0.000 0.821 447 L CB 0.217 42.303 42.059 0.044 0.000 1.101 447 L HN 0.492 nan 8.230 nan 0.000 0.488 448 S N 0.157 115.913 115.700 0.094 0.000 2.550 448 S HA 0.463 4.932 4.470 -0.002 0.000 0.270 448 S C -0.261 174.390 174.600 0.085 0.000 1.145 448 S CA -0.749 57.514 58.200 0.106 0.000 0.852 448 S CB 1.877 65.172 63.200 0.157 0.000 1.119 448 S HN 0.666 nan 8.310 nan 0.000 0.465 449 R N 1.042 121.588 120.500 0.076 0.000 2.535 449 R HA 0.282 4.621 4.340 -0.002 0.000 0.323 449 R C -0.861 175.479 176.300 0.067 0.000 0.979 449 R CA -0.055 56.082 56.100 0.062 0.000 1.120 449 R CB 0.318 30.646 30.300 0.048 0.000 1.306 449 R HN 0.640 nan 8.270 nan 0.000 0.540 450 D N -0.032 120.417 120.400 0.081 0.000 2.347 450 D HA 0.165 4.804 4.640 -0.002 0.000 0.235 450 D C -1.764 174.594 176.300 0.098 0.000 1.149 450 D CA -2.409 51.640 54.000 0.082 0.000 0.850 450 D CB 1.781 42.624 40.800 0.073 0.000 1.061 450 D HN -0.151 nan 8.370 nan 0.000 0.487 451 P HA -0.193 nan 4.420 nan 0.000 0.218 451 P C 0.966 178.340 177.300 0.123 0.000 1.150 451 P CA 1.462 64.630 63.100 0.114 0.000 0.841 451 P CB 0.196 31.984 31.700 0.146 0.000 0.784 452 T N -1.078 113.549 114.554 0.122 0.000 2.737 452 T HA -0.121 4.227 4.350 -0.002 0.000 0.265 452 T C 1.619 176.406 174.700 0.145 0.000 1.038 452 T CA 1.042 63.216 62.100 0.124 0.000 1.144 452 T CB -0.658 68.269 68.868 0.100 0.000 0.866 452 T HN 0.280 nan 8.240 nan 0.000 0.434 453 E N 0.761 121.062 120.200 0.167 0.000 2.070 453 E HA -0.129 4.220 4.350 -0.002 0.000 0.197 453 E C 2.447 179.167 176.600 0.200 0.000 1.004 453 E CA 1.292 57.839 56.400 0.244 0.000 0.805 453 E CB -0.408 29.447 29.700 0.259 0.000 0.744 453 E HN 0.294 nan 8.360 nan 0.000 0.451 454 V N 1.381 121.380 119.914 0.142 0.000 2.392 454 V HA -0.260 3.859 4.120 -0.002 0.000 0.249 454 V C 2.347 178.486 176.094 0.074 0.000 1.059 454 V CA 2.227 64.585 62.300 0.096 0.000 1.051 454 V CB -0.990 30.882 31.823 0.082 0.000 0.658 454 V HN 0.331 nan 8.190 nan 0.000 0.455 455 T N 0.305 114.913 114.554 0.090 0.000 2.809 455 T HA -0.006 4.343 4.350 -0.002 0.000 0.260 455 T C 2.138 176.873 174.700 0.058 0.000 1.039 455 T CA 1.294 63.438 62.100 0.073 0.000 1.141 455 T CB -0.445 68.476 68.868 0.089 0.000 0.869 455 T HN 0.539 nan 8.240 nan 0.000 0.437 456 A N 1.701 124.576 122.820 0.091 0.000 1.851 456 A HA -0.043 4.276 4.320 -0.002 0.000 0.216 456 A C 2.317 179.901 177.584 -0.001 0.000 1.195 456 A CA 1.554 53.648 52.037 0.095 0.000 0.622 456 A CB -1.098 18.028 19.000 0.209 0.000 0.831 456 A HN 0.486 nan 8.150 nan 0.000 0.444 457 I N -0.367 120.161 120.570 -0.070 0.000 2.185 457 I HA -0.279 3.890 4.170 -0.002 0.000 0.246 457 I C 2.287 178.316 176.117 -0.146 0.000 1.088 457 I CA 1.867 62.957 61.300 -0.350 0.000 1.347 457 I CB -0.346 37.440 38.000 -0.357 0.000 1.041 457 I HN 0.341 nan 8.210 nan 0.000 0.415 458 G N -0.274 108.495 108.800 -0.052 0.000 2.414 458 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.215 458 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.215 458 G C 1.747 176.632 174.900 -0.024 0.000 1.188 458 G CA 0.750 45.840 45.100 -0.016 0.000 0.783 458 G HN 0.588 nan 8.290 nan 0.000 0.537 459 A N 0.172 122.976 122.820 -0.027 0.000 1.873 459 A HA -0.051 4.268 4.320 -0.002 0.000 0.218 459 A C 2.638 180.167 177.584 -0.091 0.000 1.193 459 A CA 2.212 54.223 52.037 -0.042 0.000 0.629 459 A CB -0.937 18.046 19.000 -0.028 0.000 0.826 459 A HN 0.300 nan 8.150 nan 0.000 0.447 460 V N 0.064 119.900 119.914 -0.130 0.000 2.231 460 V HA -0.313 3.806 4.120 -0.002 0.000 0.248 460 V C 2.656 178.641 176.094 -0.182 0.000 1.054 460 V CA 2.704 64.858 62.300 -0.243 0.000 1.015 460 V CB -0.837 30.788 31.823 -0.330 0.000 0.638 460 V HN 0.794 nan 8.190 nan 0.000 0.444 461 E N 0.795 120.995 120.200 0.000 0.000 2.049 461 E HA -0.251 4.098 4.350 -0.002 0.000 0.198 461 E C 2.112 178.787 176.600 0.126 0.000 1.007 461 E CA 2.064 58.600 56.400 0.227 0.000 0.809 461 E CB -0.726 29.111 29.700 0.228 0.000 0.749 461 E HN 0.490 nan 8.360 nan 0.000 0.450 462 A N 0.820 123.660 122.820 0.033 0.000 1.927 462 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 462 A C 2.487 180.048 177.584 -0.038 0.000 1.185 462 A CA 2.830 54.868 52.037 0.003 0.000 0.639 462 A CB -1.271 17.719 19.000 -0.018 0.000 0.820 462 A HN 0.472 nan 8.150 nan 0.000 0.451 463 A N -1.747 120.993 122.820 -0.133 0.000 1.969 463 A HA 0.077 4.396 4.320 -0.002 0.000 0.218 463 A C 1.986 179.413 177.584 -0.262 0.000 1.169 463 A CA 1.267 53.160 52.037 -0.241 0.000 0.635 463 A CB -0.650 18.120 19.000 -0.382 0.000 0.810 463 A HN 0.511 nan 8.150 nan 0.000 0.445 464 F N -0.104 119.789 119.950 -0.095 0.000 2.113 464 F HA -0.130 4.397 4.527 -0.001 0.000 0.297 464 F C 2.331 178.115 175.800 -0.026 0.000 1.103 464 F CA 1.599 59.558 58.000 -0.068 0.000 1.248 464 F CB -0.038 38.940 39.000 -0.037 0.000 0.999 464 F HN 0.093 nan 8.300 nan 0.000 0.475 465 K N 0.721 121.223 120.400 0.170 0.000 2.160 465 K HA -0.216 4.103 4.320 -0.002 0.000 0.206 465 K C 1.641 178.277 176.600 0.061 0.000 1.047 465 K CA 1.938 58.286 56.287 0.103 0.000 0.930 465 K CB -0.693 31.850 32.500 0.072 0.000 0.720 465 K HN 0.473 nan 8.250 nan 0.000 0.450 466 C N -3.700 115.616 119.300 0.027 0.000 3.336 466 C HA 0.450 4.909 4.460 -0.002 0.000 0.291 466 C C 0.616 175.604 174.990 -0.003 0.000 1.363 466 C CA -0.592 58.431 59.018 0.009 0.000 1.737 466 C CB -1.580 26.157 27.740 -0.006 0.000 2.274 466 C HN 0.426 nan 8.230 nan 0.000 0.663 467 C N 2.101 121.396 119.300 -0.008 0.000 4.454 467 C HA 0.043 4.502 4.460 -0.002 0.000 0.298 467 C C 1.406 176.359 174.990 -0.062 0.000 1.384 467 C CA 0.158 59.159 59.018 -0.027 0.000 2.002 467 C CB -3.245 24.499 27.740 0.006 0.000 1.249 467 C HN 1.173 nan 8.230 nan 0.000 0.783 468 A N -0.016 122.747 122.820 -0.096 0.000 2.586 468 A HA 0.414 4.733 4.320 -0.002 0.000 0.231 468 A C 1.305 178.821 177.584 -0.114 0.000 1.055 468 A CA 1.119 53.094 52.037 -0.103 0.000 0.756 468 A CB 0.258 19.175 19.000 -0.138 0.000 0.988 468 A HN 1.844 nan 8.150 nan 0.000 0.509 469 A N 1.565 124.332 122.820 -0.088 0.000 1.997 469 A HA 0.567 4.886 4.320 -0.002 0.000 0.212 469 A C 1.142 178.654 177.584 -0.120 0.000 1.178 469 A CA 1.558 53.544 52.037 -0.085 0.000 0.698 469 A CB -0.237 18.738 19.000 -0.043 0.000 0.842 469 A HN 2.328 nan 8.150 nan 0.000 0.458 470 A N -1.212 121.542 122.820 -0.110 0.000 2.609 470 A HA 0.703 5.021 4.320 -0.002 0.000 0.291 470 A C -1.345 176.178 177.584 -0.102 0.000 1.096 470 A CA -0.419 51.544 52.037 -0.123 0.000 0.684 470 A CB 0.728 19.672 19.000 -0.093 0.000 1.282 470 A HN 0.194 nan 8.150 nan 0.000 0.412 471 I N 1.364 121.879 120.570 -0.092 0.000 2.389 471 I HA 0.383 4.552 4.170 -0.002 0.000 0.288 471 I C -0.911 175.187 176.117 -0.031 0.000 0.999 471 I CA -0.317 60.944 61.300 -0.064 0.000 1.129 471 I CB 1.565 39.524 38.000 -0.068 0.000 1.288 471 I HN 0.491 nan 8.210 nan 0.000 0.444 472 I N 7.263 127.821 120.570 -0.019 0.000 2.321 472 I HA 0.352 4.520 4.170 -0.002 0.000 0.291 472 I C -0.684 175.436 176.117 0.005 0.000 0.998 472 I CA -0.652 60.647 61.300 -0.001 0.000 1.227 472 I CB 1.402 39.397 38.000 -0.008 0.000 1.368 472 I HN 0.176 nan 8.210 nan 0.000 0.466 473 V N 7.058 126.984 119.914 0.020 0.000 2.531 473 V HA 0.345 4.463 4.120 -0.002 0.000 0.301 473 V C -0.243 175.864 176.094 0.022 0.000 1.034 473 V CA -0.839 61.475 62.300 0.023 0.000 0.865 473 V CB 1.661 33.505 31.823 0.036 0.000 0.995 473 V HN 0.355 nan 8.190 nan 0.000 0.424 474 L N 3.833 125.061 121.223 0.008 0.000 2.360 474 L HA 0.606 4.945 4.340 -0.002 0.000 0.276 474 L C 0.503 177.390 176.870 0.029 0.000 1.121 474 L CA 1.081 55.923 54.840 0.002 0.000 0.845 474 L CB 1.029 43.071 42.059 -0.029 0.000 1.143 474 L HN 0.897 nan 8.230 nan 0.000 0.452 475 T N 1.260 115.835 114.554 0.035 0.000 2.933 475 T HA 0.411 4.760 4.350 -0.002 0.000 0.305 475 T C 0.764 175.489 174.700 0.041 0.000 1.092 475 T CA -0.304 61.820 62.100 0.040 0.000 1.008 475 T CB 1.295 70.184 68.868 0.036 0.000 1.102 475 T HN 0.664 nan 8.240 nan 0.000 0.469 476 T N 1.654 116.232 114.554 0.040 0.000 2.953 476 T HA 0.050 4.399 4.350 -0.002 0.000 0.247 476 T C 1.965 176.679 174.700 0.023 0.000 1.029 476 T CA 1.438 63.560 62.100 0.037 0.000 1.144 476 T CB -0.173 68.718 68.868 0.038 0.000 0.870 476 T HN 0.824 nan 8.240 nan 0.000 0.446 477 T N -1.662 112.899 114.554 0.012 0.000 3.022 477 T HA 0.460 4.809 4.350 -0.002 0.000 0.250 477 T C 1.824 176.525 174.700 0.001 0.000 1.060 477 T CA 0.944 63.045 62.100 0.002 0.000 1.013 477 T CB 0.318 69.180 68.868 -0.010 0.000 0.982 477 T HN 0.491 nan 8.240 nan 0.000 0.508 478 G N 1.966 110.771 108.800 0.007 0.000 2.258 478 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.233 478 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.233 478 G C 0.976 175.877 174.900 0.001 0.000 1.006 478 G CA 0.733 45.836 45.100 0.003 0.000 0.620 478 G HN 0.662 nan 8.290 nan 0.000 0.511 479 R N 1.315 121.811 120.500 -0.007 0.000 2.168 479 R HA -0.206 4.133 4.340 -0.002 0.000 0.242 479 R C 2.682 178.987 176.300 0.008 0.000 1.123 479 R CA 3.170 59.262 56.100 -0.013 0.000 0.928 479 R CB -0.696 29.590 30.300 -0.022 0.000 0.873 479 R HN 0.504 nan 8.270 nan 0.000 0.434 480 S N 0.235 115.951 115.700 0.026 0.000 2.400 480 S HA -0.151 4.317 4.470 -0.002 0.000 0.232 480 S C 2.019 176.655 174.600 0.060 0.000 1.025 480 S CA 1.054 59.285 58.200 0.053 0.000 0.993 480 S CB -0.330 62.905 63.200 0.059 0.000 0.808 480 S HN 0.611 nan 8.310 nan 0.000 0.478 481 A N 1.563 124.409 122.820 0.044 0.000 1.873 481 A HA -0.181 4.137 4.320 -0.002 0.000 0.215 481 A C 2.180 179.797 177.584 0.055 0.000 1.186 481 A CA 1.618 53.683 52.037 0.046 0.000 0.616 481 A CB -0.801 18.217 19.000 0.030 0.000 0.823 481 A HN 0.522 nan 8.150 nan 0.000 0.442 482 Q N -0.294 119.527 119.800 0.034 0.000 2.077 482 Q HA -0.172 4.167 4.340 -0.002 0.000 0.206 482 Q C 1.885 177.933 176.000 0.080 0.000 0.989 482 Q CA 1.755 57.574 55.803 0.026 0.000 0.853 482 Q CB -0.288 28.436 28.738 -0.024 0.000 0.907 482 Q HN 0.683 nan 8.270 nan 0.000 0.418 483 L N 0.475 121.760 121.223 0.103 0.000 2.450 483 L HA -0.166 4.173 4.340 -0.002 0.000 0.224 483 L C 2.117 179.185 176.870 0.329 0.000 1.149 483 L CA 0.386 55.358 54.840 0.220 0.000 0.816 483 L CB -0.218 41.965 42.059 0.206 0.000 0.932 483 L HN 0.328 nan 8.230 nan 0.000 0.449 484 L N -0.873 120.482 121.223 0.220 0.000 2.249 484 L HA -0.074 4.265 4.340 -0.002 0.000 0.207 484 L C 2.609 179.606 176.870 0.212 0.000 1.090 484 L CA 1.007 55.972 54.840 0.207 0.000 0.802 484 L CB -0.102 42.020 42.059 0.106 0.000 0.947 484 L HN 0.289 nan 8.230 nan 0.000 0.453 485 S N -1.869 113.937 115.700 0.178 0.000 2.528 485 S HA -0.140 4.329 4.470 -0.002 0.000 0.219 485 S C 1.609 176.335 174.600 0.210 0.000 0.985 485 S CA -0.368 57.923 58.200 0.152 0.000 0.914 485 S CB -0.500 62.760 63.200 0.100 0.000 0.776 485 S HN 0.519 nan 8.310 nan 0.000 0.526 486 W N 2.425 123.703 121.300 -0.036 0.000 2.374 486 W HA 0.004 4.663 4.660 -0.001 0.000 0.288 486 W C 1.045 177.393 176.519 -0.285 0.000 1.218 486 W CA 0.465 57.696 57.345 -0.191 0.000 1.245 486 W CB -0.794 28.476 29.460 -0.317 0.000 1.126 486 W HN 0.431 nan 8.180 nan 0.000 0.545 487 Y N 0.220 120.593 120.300 0.121 0.000 2.517 487 Y HA 0.145 4.693 4.550 -0.003 0.000 0.281 487 Y C 1.061 176.968 175.900 0.011 0.000 1.125 487 Y CA 1.096 59.183 58.100 -0.022 0.000 1.283 487 Y CB -0.119 38.291 38.460 -0.084 0.000 1.042 487 Y HN -0.369 nan 8.280 nan 0.000 0.547 488 R N -1.033 119.564 120.500 0.161 0.000 3.096 488 R HA -0.111 4.228 4.340 -0.002 0.000 0.261 488 R C -2.931 173.416 176.300 0.079 0.000 0.988 488 R CA -0.009 56.183 56.100 0.155 0.000 0.661 488 R CB -2.353 28.086 30.300 0.231 0.000 1.274 488 R HN 0.292 nan 8.270 nan 0.000 0.416 489 P HA -0.041 nan 4.420 nan 0.000 0.282 489 P C 0.859 177.918 177.300 -0.402 0.000 1.273 489 P CA 0.154 63.018 63.100 -0.393 0.000 0.809 489 P CB 0.387 31.879 31.700 -0.347 0.000 1.246 490 R N -1.341 118.790 120.500 -0.616 0.000 2.492 490 R HA 0.372 4.711 4.340 -0.002 0.000 0.219 490 R C 0.577 176.725 176.300 -0.254 0.000 0.886 490 R CA 0.072 55.936 56.100 -0.393 0.000 1.003 490 R CB -0.148 29.855 30.300 -0.494 0.000 1.345 490 R HN 0.387 nan 8.270 nan 0.000 0.631 491 A N 1.749 124.364 122.820 -0.341 0.000 2.507 491 A HA 0.497 4.815 4.320 -0.002 0.000 0.235 491 A C 0.185 177.650 177.584 -0.199 0.000 1.070 491 A CA 0.268 52.156 52.037 -0.249 0.000 0.768 491 A CB 0.113 18.957 19.000 -0.261 0.000 1.011 491 A HN 0.537 nan 8.150 nan 0.000 0.502 492 A N 0.915 123.593 122.820 -0.237 0.000 2.388 492 A HA 0.515 4.834 4.320 -0.002 0.000 0.257 492 A C -0.107 177.403 177.584 -0.123 0.000 1.095 492 A CA -0.313 51.575 52.037 -0.248 0.000 0.791 492 A CB 0.224 18.777 19.000 -0.746 0.000 1.029 492 A HN 1.121 nan 8.150 nan 0.000 0.489 493 V N 4.537 124.481 119.914 0.050 0.000 2.288 493 V HA 0.180 4.299 4.120 -0.002 0.000 0.266 493 V C -0.108 176.071 176.094 0.142 0.000 1.048 493 V CA 0.076 62.416 62.300 0.066 0.000 0.842 493 V CB 0.032 31.900 31.823 0.075 0.000 1.064 493 V HN 0.650 nan 8.190 nan 0.000 0.472 494 I N 4.534 125.149 120.570 0.074 0.000 2.322 494 I HA 0.490 4.659 4.170 -0.002 0.000 0.292 494 I C 0.711 176.887 176.117 0.099 0.000 1.060 494 I CA 0.019 61.389 61.300 0.117 0.000 1.309 494 I CB 1.046 39.093 38.000 0.079 0.000 1.415 494 I HN 0.585 nan 8.210 nan 0.000 0.492 495 A N 7.206 130.095 122.820 0.114 0.000 2.249 495 A HA 0.628 4.947 4.320 -0.002 0.000 0.314 495 A C -0.337 177.311 177.584 0.106 0.000 1.290 495 A CA -0.468 51.619 52.037 0.084 0.000 0.893 495 A CB 0.692 19.728 19.000 0.060 0.000 1.165 495 A HN 0.480 nan 8.150 nan 0.000 0.530 496 V N 2.739 122.710 119.914 0.096 0.000 2.383 496 V HA 0.676 4.795 4.120 -0.002 0.000 0.275 496 V C 0.508 176.653 176.094 0.084 0.000 1.036 496 V CA -0.013 62.364 62.300 0.129 0.000 0.889 496 V CB 0.951 32.835 31.823 0.101 0.000 0.985 496 V HN 0.977 nan 8.190 nan 0.000 0.459 497 T N 4.169 118.794 114.554 0.118 0.000 2.894 497 T HA 0.434 4.783 4.350 -0.002 0.000 0.309 497 T C 0.416 175.185 174.700 0.115 0.000 1.208 497 T CA -0.623 61.532 62.100 0.091 0.000 1.016 497 T CB 1.864 70.775 68.868 0.072 0.000 1.192 497 T HN 0.619 nan 8.240 nan 0.000 0.491 498 R N 1.108 121.664 120.500 0.094 0.000 2.312 498 R HA 0.213 4.552 4.340 -0.002 0.000 0.205 498 R C 0.761 177.087 176.300 0.044 0.000 0.904 498 R CA 0.005 56.152 56.100 0.077 0.000 1.052 498 R CB 0.359 30.703 30.300 0.074 0.000 1.014 498 R HN 0.444 nan 8.270 nan 0.000 0.503 499 S N 0.950 116.677 115.700 0.046 0.000 3.483 499 S HA 0.228 4.697 4.470 -0.002 0.000 0.274 499 S C 1.364 175.989 174.600 0.042 0.000 1.289 499 S CA -0.213 58.008 58.200 0.034 0.000 0.938 499 S CB 0.532 63.748 63.200 0.028 0.000 1.453 499 S HN 0.376 nan 8.310 nan 0.000 0.494 500 A N 3.502 126.349 122.820 0.045 0.000 2.038 500 A HA -0.317 4.002 4.320 -0.002 0.000 0.224 500 A C 2.047 179.673 177.584 0.069 0.000 1.190 500 A CA 2.502 54.582 52.037 0.072 0.000 0.668 500 A CB -0.916 18.125 19.000 0.068 0.000 0.820 500 A HN 0.828 nan 8.150 nan 0.000 0.474 501 Q N -0.900 118.926 119.800 0.044 0.000 1.990 501 Q HA 0.025 4.364 4.340 -0.002 0.000 0.200 501 Q C 2.222 178.237 176.000 0.025 0.000 0.980 501 Q CA 2.003 57.826 55.803 0.033 0.000 0.832 501 Q CB -0.486 28.263 28.738 0.018 0.000 0.897 501 Q HN 0.585 nan 8.270 nan 0.000 0.427 502 A N 0.921 123.753 122.820 0.020 0.000 1.883 502 A HA -0.165 4.153 4.320 -0.002 0.000 0.217 502 A C 2.368 179.955 177.584 0.006 0.000 1.186 502 A CA 1.951 53.994 52.037 0.010 0.000 0.624 502 A CB -1.434 17.573 19.000 0.012 0.000 0.822 502 A HN 0.628 nan 8.150 nan 0.000 0.444 503 A N -0.976 121.860 122.820 0.026 0.000 2.139 503 A HA -0.201 4.117 4.320 -0.002 0.000 0.221 503 A C 2.224 179.793 177.584 -0.026 0.000 1.159 503 A CA 1.769 53.819 52.037 0.021 0.000 0.662 503 A CB -0.404 18.646 19.000 0.083 0.000 0.796 503 A HN 0.600 nan 8.150 nan 0.000 0.463 504 R N -1.955 118.552 120.500 0.012 0.000 2.123 504 R HA 0.065 4.404 4.340 -0.002 0.000 0.209 504 R C 2.257 178.576 176.300 0.032 0.000 1.078 504 R CA 0.779 56.906 56.100 0.045 0.000 1.028 504 R CB -0.215 30.135 30.300 0.082 0.000 0.939 504 R HN 0.599 nan 8.270 nan 0.000 0.463 505 Q N 0.450 120.255 119.800 0.008 0.000 2.291 505 Q HA -0.088 4.251 4.340 -0.002 0.000 0.206 505 Q C 1.795 177.789 176.000 -0.009 0.000 0.976 505 Q CA 0.868 56.671 55.803 0.001 0.000 0.875 505 Q CB 0.123 28.854 28.738 -0.013 0.000 0.927 505 Q HN 0.073 nan 8.270 nan 0.000 0.450 506 V N 0.504 120.388 119.914 -0.051 0.000 3.241 506 V HA -0.204 3.915 4.120 -0.002 0.000 0.269 506 V C 1.500 177.535 176.094 -0.098 0.000 1.151 506 V CA 1.233 63.483 62.300 -0.083 0.000 1.158 506 V CB -0.514 31.239 31.823 -0.116 0.000 0.764 506 V HN 0.467 nan 8.190 nan 0.000 0.508 507 H N -1.046 118.004 119.070 -0.033 0.000 2.524 507 H HA 0.050 4.605 4.556 -0.002 0.000 0.282 507 H C 1.757 177.062 175.328 -0.039 0.000 1.016 507 H CA 0.725 56.739 56.048 -0.056 0.000 1.270 507 H CB 0.219 29.956 29.762 -0.041 0.000 1.394 507 H HN 0.273 nan 8.280 nan 0.000 0.568 508 L N 0.216 121.497 121.223 0.097 0.000 2.700 508 L HA -0.064 4.275 4.340 -0.002 0.000 0.240 508 L C 0.419 177.312 176.870 0.039 0.000 1.162 508 L CA 0.381 55.262 54.840 0.069 0.000 0.874 508 L CB -1.124 40.965 42.059 0.049 0.000 1.001 508 L HN 0.161 nan 8.230 nan 0.000 0.447 509 C N -0.358 118.953 119.300 0.019 0.000 2.369 509 C HA 0.388 4.847 4.460 -0.002 0.000 0.322 509 C C 1.031 176.015 174.990 -0.011 0.000 1.258 509 C CA -1.571 57.450 59.018 0.006 0.000 1.487 509 C CB 1.636 29.375 27.740 -0.002 0.000 2.165 509 C HN 0.298 nan 8.230 nan 0.000 0.483 510 R N 1.660 122.169 120.500 0.014 0.000 2.494 510 R HA 0.272 4.611 4.340 -0.002 0.000 0.291 510 R C 1.319 177.614 176.300 -0.007 0.000 0.953 510 R CA 1.756 57.863 56.100 0.012 0.000 1.098 510 R CB -0.087 30.245 30.300 0.054 0.000 0.911 510 R HN 1.297 nan 8.270 nan 0.000 0.407 511 G N 2.764 111.523 108.800 -0.068 0.000 2.203 511 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.263 511 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.263 511 G C -0.055 174.855 174.900 0.016 0.000 1.012 511 G CA 0.352 45.450 45.100 -0.004 0.000 0.749 511 G HN 0.483 nan 8.290 nan 0.000 0.512 512 V N -0.070 119.722 119.914 -0.203 0.000 2.481 512 V HA 0.729 4.848 4.120 -0.002 0.000 0.286 512 V C -0.096 175.801 176.094 -0.328 0.000 1.042 512 V CA -0.451 61.795 62.300 -0.089 0.000 0.928 512 V CB 1.332 33.106 31.823 -0.081 0.000 0.986 512 V HN 0.203 nan 8.190 nan 0.000 0.462 513 F N 5.602 125.533 119.950 -0.031 0.000 2.610 513 F HA 0.450 4.976 4.527 -0.002 0.000 0.355 513 F C -2.143 173.665 175.800 0.014 0.000 1.140 513 F CA -2.548 55.460 58.000 0.013 0.000 1.037 513 F CB 1.675 40.715 39.000 0.068 0.000 1.287 513 F HN 0.315 nan 8.300 nan 0.000 0.457 514 P HA 0.246 nan 4.420 nan 0.000 0.272 514 P C -0.871 176.534 177.300 0.175 0.000 1.223 514 P CA -0.098 63.032 63.100 0.051 0.000 0.784 514 P CB 1.633 33.290 31.700 -0.072 0.000 0.923 515 L N 2.467 123.816 121.223 0.210 0.000 2.406 515 L HA 0.369 4.708 4.340 -0.002 0.000 0.272 515 L C -0.077 176.996 176.870 0.338 0.000 0.980 515 L CA -1.207 53.814 54.840 0.301 0.000 0.831 515 L CB 1.912 44.151 42.059 0.301 0.000 1.253 515 L HN 0.236 nan 8.230 nan 0.000 0.406 516 L N 3.735 125.150 121.223 0.320 0.000 2.281 516 L HA 0.336 4.675 4.340 -0.002 0.000 0.285 516 L C -0.904 176.084 176.870 0.197 0.000 1.074 516 L CA 0.116 55.078 54.840 0.202 0.000 0.817 516 L CB 0.590 42.701 42.059 0.086 0.000 1.168 516 L HN 0.371 nan 8.230 nan 0.000 0.434 517 Y N 5.285 125.546 120.300 -0.065 0.000 2.335 517 Y HA 0.423 4.972 4.550 -0.002 0.000 0.339 517 Y C 0.998 176.743 175.900 -0.258 0.000 0.987 517 Y CA -0.306 57.590 58.100 -0.340 0.000 1.140 517 Y CB 0.959 39.209 38.460 -0.350 0.000 1.173 517 Y HN 0.758 nan 8.280 nan 0.000 0.486 518 R N 1.712 121.769 120.500 -0.738 0.000 2.064 518 R HA 0.031 4.369 4.340 -0.002 0.000 0.221 518 R C -0.045 175.876 176.300 -0.631 0.000 1.136 518 R CA 0.158 55.934 56.100 -0.539 0.000 0.980 518 R CB -0.153 29.920 30.300 -0.379 0.000 0.876 518 R HN 0.598 nan 8.270 nan 0.000 0.437 519 E N 2.634 122.284 120.200 -0.916 0.000 2.953 519 E HA -0.105 4.244 4.350 -0.002 0.000 0.283 519 E C -2.204 174.199 176.600 -0.329 0.000 0.931 519 E CA -0.206 55.834 56.400 -0.600 0.000 0.979 519 E CB -0.429 28.892 29.700 -0.630 0.000 0.976 519 E HN 0.135 nan 8.360 nan 0.000 0.486 520 P HA 0.233 nan 4.420 nan 0.000 0.278 520 P C -2.400 174.887 177.300 -0.020 0.000 1.238 520 P CA -1.444 61.608 63.100 -0.081 0.000 0.794 520 P CB -0.134 31.529 31.700 -0.063 0.000 0.955 521 P HA 0.047 nan 4.420 nan 0.000 0.266 521 P C 0.206 177.534 177.300 0.046 0.000 1.195 521 P CA 0.274 63.409 63.100 0.059 0.000 0.768 521 P CB 0.327 32.069 31.700 0.070 0.000 0.838 522 E N 1.184 121.415 120.200 0.053 0.000 2.435 522 E HA 0.021 4.370 4.350 -0.002 0.000 0.256 522 E C 1.430 178.061 176.600 0.051 0.000 1.245 522 E CA 0.128 56.553 56.400 0.042 0.000 0.989 522 E CB 0.174 29.894 29.700 0.033 0.000 0.983 522 E HN 0.443 nan 8.360 nan 0.000 0.480 523 A N 1.225 124.070 122.820 0.042 0.000 1.898 523 A HA -0.076 4.242 4.320 -0.002 0.000 0.216 523 A C 1.229 178.855 177.584 0.069 0.000 1.181 523 A CA 0.962 53.026 52.037 0.045 0.000 0.620 523 A CB -0.163 18.857 19.000 0.033 0.000 0.819 523 A HN 0.485 nan 8.150 nan 0.000 0.442 524 I N -1.589 119.024 120.570 0.073 0.000 2.307 524 I HA 0.132 4.301 4.170 -0.002 0.000 0.289 524 I C 0.730 176.932 176.117 0.142 0.000 1.021 524 I CA -0.662 60.698 61.300 0.100 0.000 1.224 524 I CB 1.310 39.349 38.000 0.066 0.000 1.376 524 I HN 0.554 nan 8.210 nan 0.000 0.470 525 W N 6.094 127.387 121.300 -0.012 0.000 2.290 525 W HA -0.381 4.277 4.660 -0.002 0.000 0.323 525 W C 2.280 178.790 176.519 -0.015 0.000 1.260 525 W CA 2.633 59.967 57.345 -0.019 0.000 1.266 525 W CB -0.188 29.253 29.460 -0.032 0.000 1.149 525 W HN 0.638 nan 8.180 nan 0.000 0.482 526 A N 0.341 123.185 122.820 0.039 0.000 1.870 526 A HA -0.356 3.963 4.320 -0.002 0.000 0.219 526 A C 1.795 179.280 177.584 -0.166 0.000 1.224 526 A CA 2.719 54.684 52.037 -0.120 0.000 0.650 526 A CB -1.408 17.597 19.000 0.009 0.000 0.836 526 A HN 0.399 nan 8.150 nan 0.000 0.454 527 D N -0.764 119.591 120.400 -0.074 0.000 2.182 527 D HA -0.134 4.505 4.640 -0.002 0.000 0.201 527 D C 1.574 177.815 176.300 -0.098 0.000 0.986 527 D CA 1.642 55.603 54.000 -0.064 0.000 0.847 527 D CB -0.518 40.272 40.800 -0.017 0.000 0.942 527 D HN 0.685 nan 8.370 nan 0.000 0.467 528 D N -0.148 120.175 120.400 -0.128 0.000 2.084 528 D HA -0.115 4.524 4.640 -0.002 0.000 0.196 528 D C 2.106 178.254 176.300 -0.254 0.000 0.985 528 D CA 0.857 54.774 54.000 -0.138 0.000 0.826 528 D CB 0.203 40.948 40.800 -0.092 0.000 0.978 528 D HN -0.109 nan 8.370 nan 0.000 0.456 529 V N 1.001 120.665 119.914 -0.416 0.000 2.252 529 V HA -0.284 3.835 4.120 -0.002 0.000 0.249 529 V C 1.869 177.793 176.094 -0.283 0.000 1.056 529 V CA 2.197 64.228 62.300 -0.448 0.000 1.022 529 V CB -0.646 30.782 31.823 -0.659 0.000 0.641 529 V HN 0.271 nan 8.190 nan 0.000 0.445 530 D N -0.356 119.912 120.400 -0.220 0.000 2.144 530 D HA -0.132 4.507 4.640 -0.002 0.000 0.199 530 D C 2.394 178.628 176.300 -0.109 0.000 0.984 530 D CA 1.100 55.017 54.000 -0.139 0.000 0.834 530 D CB -0.322 40.418 40.800 -0.100 0.000 0.955 530 D HN 0.411 nan 8.370 nan 0.000 0.465 531 R N 0.311 120.745 120.500 -0.110 0.000 2.148 531 R HA 0.039 4.378 4.340 -0.002 0.000 0.227 531 R C 2.309 178.505 176.300 -0.174 0.000 1.103 531 R CA 0.588 56.647 56.100 -0.069 0.000 0.983 531 R CB 0.018 30.317 30.300 -0.000 0.000 0.874 531 R HN 0.195 nan 8.270 nan 0.000 0.451 532 R N 0.159 120.445 120.500 -0.357 0.000 2.066 532 R HA -0.059 4.280 4.340 -0.002 0.000 0.232 532 R C 2.353 178.551 176.300 -0.169 0.000 1.131 532 R CA 1.129 56.918 56.100 -0.518 0.000 0.955 532 R CB -0.484 29.487 30.300 -0.549 0.000 0.851 532 R HN 0.012 nan 8.270 nan 0.000 0.432 533 V N 1.345 121.181 119.914 -0.130 0.000 2.214 533 V HA -0.326 3.793 4.120 -0.002 0.000 0.247 533 V C 2.267 178.351 176.094 -0.018 0.000 1.051 533 V CA 1.998 64.260 62.300 -0.064 0.000 1.003 533 V CB -0.508 31.271 31.823 -0.073 0.000 0.635 533 V HN 0.275 nan 8.190 nan 0.000 0.447 534 Q N -1.033 118.759 119.800 -0.013 0.000 2.133 534 Q HA -0.255 4.083 4.340 -0.002 0.000 0.208 534 Q C 1.864 177.900 176.000 0.059 0.000 0.991 534 Q CA 2.262 58.074 55.803 0.015 0.000 0.867 534 Q CB -0.753 27.997 28.738 0.020 0.000 0.911 534 Q HN 0.654 nan 8.270 nan 0.000 0.417 535 F N 0.085 119.997 119.950 -0.063 0.000 2.063 535 F HA -0.263 4.263 4.527 -0.002 0.000 0.298 535 F C 2.027 177.825 175.800 -0.005 0.000 1.105 535 F CA 2.154 60.144 58.000 -0.016 0.000 1.215 535 F CB -0.968 37.998 39.000 -0.057 0.000 0.972 535 F HN 0.150 nan 8.300 nan 0.000 0.483 536 G N 0.457 109.228 108.800 -0.050 0.000 2.469 536 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.219 536 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.219 536 G C 1.852 176.673 174.900 -0.132 0.000 1.150 536 G CA 1.357 46.384 45.100 -0.121 0.000 0.763 536 G HN 0.508 nan 8.290 nan 0.000 0.561 537 I N 0.323 120.844 120.570 -0.082 0.000 2.113 537 I HA -0.143 4.025 4.170 -0.002 0.000 0.238 537 I C 2.798 178.858 176.117 -0.095 0.000 1.070 537 I CA 1.328 62.589 61.300 -0.065 0.000 1.332 537 I CB -0.388 37.590 38.000 -0.037 0.000 1.044 537 I HN 0.264 nan 8.210 nan 0.000 0.402 538 E N 0.906 121.043 120.200 -0.104 0.000 2.026 538 E HA -0.259 4.090 4.350 -0.002 0.000 0.206 538 E C 2.241 178.729 176.600 -0.187 0.000 1.028 538 E CA 2.253 58.583 56.400 -0.117 0.000 0.845 538 E CB -0.265 29.385 29.700 -0.083 0.000 0.772 538 E HN 0.457 nan 8.360 nan 0.000 0.462 539 S N 0.636 116.145 115.700 -0.318 0.000 2.381 539 S HA -0.252 4.216 4.470 -0.002 0.000 0.230 539 S C 2.099 176.543 174.600 -0.259 0.000 1.052 539 S CA 1.293 59.296 58.200 -0.328 0.000 1.068 539 S CB -1.095 61.838 63.200 -0.445 0.000 0.918 539 S HN 0.510 nan 8.310 nan 0.000 0.448 540 G N 1.943 110.627 108.800 -0.194 0.000 2.453 540 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.215 540 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.215 540 G C 1.416 176.202 174.900 -0.190 0.000 1.201 540 G CA 1.161 46.175 45.100 -0.142 0.000 0.784 540 G HN 0.464 nan 8.290 nan 0.000 0.545 541 K N -0.237 120.085 120.400 -0.130 0.000 1.987 541 K HA -0.035 4.284 4.320 -0.002 0.000 0.216 541 K C 2.405 178.915 176.600 -0.151 0.000 1.051 541 K CA 1.229 57.448 56.287 -0.112 0.000 0.942 541 K CB -0.624 31.830 32.500 -0.077 0.000 0.722 541 K HN 0.182 nan 8.250 nan 0.000 0.444 542 L N 1.485 122.617 121.223 -0.152 0.000 1.987 542 L HA -0.329 4.010 4.340 -0.002 0.000 0.230 542 L C 2.025 178.776 176.870 -0.199 0.000 1.089 542 L CA 2.156 56.908 54.840 -0.147 0.000 0.802 542 L CB -0.519 41.463 42.059 -0.129 0.000 0.905 542 L HN 0.339 nan 8.230 nan 0.000 0.441 543 R N -0.201 120.107 120.500 -0.320 0.000 2.323 543 R HA 0.121 4.460 4.340 -0.002 0.000 0.198 543 R C 1.157 177.170 176.300 -0.478 0.000 0.988 543 R CA 0.663 56.508 56.100 -0.425 0.000 1.041 543 R CB -0.423 29.535 30.300 -0.570 0.000 0.926 543 R HN 0.636 nan 8.270 nan 0.000 0.476 544 G N 0.792 109.373 108.800 -0.365 0.000 2.165 544 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.226 544 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.226 544 G C 0.323 175.168 174.900 -0.090 0.000 1.035 544 G CA -0.165 44.818 45.100 -0.195 0.000 0.744 544 G HN 0.466 nan 8.290 nan 0.000 0.501 545 F N -0.322 119.561 119.950 -0.112 0.000 2.615 545 F HA 0.365 4.891 4.527 -0.001 0.000 0.297 545 F C 1.367 177.101 175.800 -0.110 0.000 1.124 545 F CA 0.376 58.290 58.000 -0.143 0.000 1.451 545 F CB 0.176 39.047 39.000 -0.215 0.000 1.103 545 F HN 0.248 nan 8.300 nan 0.000 0.569 546 L N -1.333 119.930 121.223 0.067 0.000 2.472 546 L HA 0.673 5.012 4.340 -0.002 0.000 0.260 546 L C -0.925 175.940 176.870 -0.009 0.000 0.963 546 L CA -1.225 53.627 54.840 0.021 0.000 0.829 546 L CB 1.709 43.775 42.059 0.012 0.000 1.348 546 L HN -0.315 nan 8.230 nan 0.000 0.408 547 R N 0.898 121.394 120.500 -0.007 0.000 2.854 547 R HA 0.686 5.025 4.340 -0.002 0.000 0.271 547 R C -0.673 175.620 176.300 -0.012 0.000 0.996 547 R CA -1.057 55.035 56.100 -0.013 0.000 0.961 547 R CB 2.486 32.782 30.300 -0.008 0.000 1.182 547 R HN 0.575 nan 8.270 nan 0.000 0.479 548 V N 0.389 120.296 119.914 -0.013 0.000 2.953 548 V HA 0.153 4.272 4.120 -0.002 0.000 0.304 548 V C 1.659 177.749 176.094 -0.008 0.000 1.138 548 V CA 1.096 63.390 62.300 -0.011 0.000 1.266 548 V CB 0.059 31.876 31.823 -0.010 0.000 0.923 548 V HN 1.086 nan 8.190 nan 0.000 0.505 549 G N 2.110 110.905 108.800 -0.008 0.000 2.336 549 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.233 549 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.233 549 G C -0.030 174.866 174.900 -0.007 0.000 1.053 549 G CA 0.238 45.335 45.100 -0.006 0.000 0.625 549 G HN 0.828 nan 8.290 nan 0.000 0.511 550 D N 0.775 121.170 120.400 -0.009 0.000 2.406 550 D HA 0.454 5.093 4.640 -0.002 0.000 0.234 550 D C 1.040 177.331 176.300 -0.016 0.000 1.196 550 D CA 0.335 54.327 54.000 -0.013 0.000 0.881 550 D CB 0.492 41.283 40.800 -0.014 0.000 1.205 550 D HN 0.403 nan 8.370 nan 0.000 0.453 551 L N 0.639 121.849 121.223 -0.021 0.000 2.332 551 L HA 0.686 5.025 4.340 -0.002 0.000 0.269 551 L C -0.302 176.549 176.870 -0.033 0.000 1.016 551 L CA -0.887 53.939 54.840 -0.024 0.000 0.809 551 L CB 1.754 43.799 42.059 -0.023 0.000 1.280 551 L HN 0.083 nan 8.230 nan 0.000 0.447 552 V N 2.012 121.906 119.914 -0.033 0.000 3.087 552 V HA 0.487 4.606 4.120 -0.002 0.000 0.306 552 V C -1.101 174.969 176.094 -0.040 0.000 1.187 552 V CA -0.606 61.670 62.300 -0.041 0.000 0.999 552 V CB 2.814 34.617 31.823 -0.033 0.000 1.049 552 V HN 0.366 nan 8.190 nan 0.000 0.431 553 I N 4.288 124.829 120.570 -0.049 0.000 2.460 553 I HA 0.594 4.763 4.170 -0.002 0.000 0.298 553 I C -0.359 175.739 176.117 -0.032 0.000 0.989 553 I CA -0.653 60.622 61.300 -0.042 0.000 1.173 553 I CB 1.673 39.639 38.000 -0.057 0.000 1.338 553 I HN 0.247 nan 8.210 nan 0.000 0.456 554 V N 6.216 126.117 119.914 -0.021 0.000 2.531 554 V HA 0.484 4.603 4.120 -0.002 0.000 0.301 554 V C -0.167 175.925 176.094 -0.004 0.000 1.034 554 V CA -0.713 61.577 62.300 -0.016 0.000 0.865 554 V CB 2.444 34.255 31.823 -0.021 0.000 0.995 554 V HN 0.444 nan 8.190 nan 0.000 0.424 555 V N 4.695 124.612 119.914 0.004 0.000 2.448 555 V HA 0.815 4.934 4.120 -0.002 0.000 0.295 555 V C 0.269 176.381 176.094 0.030 0.000 1.025 555 V CA -0.075 62.240 62.300 0.025 0.000 0.859 555 V CB 1.893 33.736 31.823 0.034 0.000 0.988 555 V HN 1.117 nan 8.190 nan 0.000 0.431 556 T N 1.602 116.186 114.554 0.049 0.000 2.618 556 T HA 0.865 5.214 4.350 -0.002 0.000 0.293 556 T C -0.048 174.727 174.700 0.124 0.000 1.093 556 T CA -0.283 61.848 62.100 0.051 0.000 1.061 556 T CB 1.737 70.603 68.868 -0.004 0.000 1.498 556 T HN 0.892 nan 8.240 nan 0.000 0.494 557 G N -0.950 107.947 108.800 0.161 0.000 2.816 557 G HA2 0.534 4.493 3.960 -0.002 0.000 0.288 557 G HA3 0.534 4.493 3.960 -0.002 0.000 0.288 557 G C -0.145 174.990 174.900 0.391 0.000 1.334 557 G CA -0.727 44.536 45.100 0.271 0.000 0.978 557 G HN 0.953 nan 8.290 nan 0.000 0.493 558 W N -0.057 121.405 121.300 0.271 0.000 3.220 558 W HA 0.404 5.062 4.660 -0.002 0.000 0.328 558 W C 0.059 176.644 176.519 0.110 0.000 1.205 558 W CA -0.271 57.206 57.345 0.221 0.000 1.773 558 W CB -0.263 29.249 29.460 0.088 0.000 1.086 558 W HN 0.592 nan 8.180 nan 0.000 0.622 559 R N -1.093 119.059 120.500 -0.579 0.000 2.739 559 R HA 0.425 4.763 4.340 -0.002 0.000 0.266 559 R C -3.508 172.167 176.300 -1.041 0.000 1.044 559 R CA -1.499 53.819 56.100 -1.303 0.000 0.885 559 R CB -0.234 29.141 30.300 -1.541 0.000 1.260 559 R HN -0.381 nan 8.270 nan 0.000 0.477 560 P HA 0.436 nan 4.420 nan 0.000 0.268 560 P C -0.284 176.899 177.300 -0.194 0.000 1.205 560 P CA 1.090 63.907 63.100 -0.473 0.000 0.771 560 P CB 0.919 32.220 31.700 -0.665 0.000 0.858 561 G N 0.780 109.599 108.800 0.032 0.000 2.576 561 G HA2 0.030 3.989 3.960 -0.002 0.000 0.686 561 G HA3 0.030 3.989 3.960 -0.002 0.000 0.686 561 G C -0.359 174.617 174.900 0.127 0.000 1.242 561 G CA -0.543 44.605 45.100 0.079 0.000 0.819 561 G HN 0.566 nan 8.290 nan 0.000 0.655 562 S N -0.342 115.381 115.700 0.039 0.000 2.573 562 S HA 0.567 5.035 4.470 -0.002 0.000 0.277 562 S C 1.733 176.213 174.600 -0.200 0.000 1.346 562 S CA 1.960 60.142 58.200 -0.030 0.000 1.034 562 S CB 0.625 63.797 63.200 -0.047 0.000 0.879 562 S HN 2.725 nan 8.310 nan 0.000 0.528 563 G N 2.506 111.176 108.800 -0.216 0.000 2.176 563 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.232 563 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.232 563 G C 0.113 174.749 174.900 -0.441 0.000 0.986 563 G CA 0.441 45.312 45.100 -0.383 0.000 0.643 563 G HN 0.781 nan 8.290 nan 0.000 0.522 564 Y N 1.096 121.411 120.300 0.025 0.000 2.707 564 Y HA 0.367 4.915 4.550 -0.002 0.000 0.249 564 Y C 1.445 177.423 175.900 0.129 0.000 1.166 564 Y CA -0.086 58.053 58.100 0.064 0.000 1.184 564 Y CB 0.623 38.954 38.460 -0.215 0.000 1.240 564 Y HN 0.152 nan 8.280 nan 0.000 0.547 565 T N 3.060 117.745 114.554 0.219 0.000 2.937 565 T HA -0.032 4.317 4.350 -0.002 0.000 0.316 565 T C 0.826 175.682 174.700 0.261 0.000 1.079 565 T CA 0.723 62.947 62.100 0.207 0.000 1.131 565 T CB 0.142 69.092 68.868 0.137 0.000 1.000 565 T HN 0.661 nan 8.240 nan 0.000 0.549 566 N N 1.026 119.878 118.700 0.253 0.000 2.405 566 N HA 0.042 4.781 4.740 -0.002 0.000 0.221 566 N C -1.000 174.616 175.510 0.177 0.000 1.386 566 N CA -0.203 52.987 53.050 0.234 0.000 1.332 566 N CB -0.602 38.083 38.487 0.330 0.000 1.256 566 N HN 0.544 nan 8.380 nan 0.000 0.587 567 I N 0.928 121.584 120.570 0.143 0.000 2.802 567 I HA 0.521 4.690 4.170 -0.002 0.000 0.298 567 I C -0.968 175.190 176.117 0.068 0.000 1.176 567 I CA -0.702 60.660 61.300 0.102 0.000 1.025 567 I CB 2.494 40.560 38.000 0.111 0.000 1.243 567 I HN 0.059 nan 8.210 nan 0.000 0.424 568 M N 5.558 125.186 119.600 0.046 0.000 2.324 568 M HA 0.567 5.045 4.480 -0.002 0.000 0.288 568 M C -1.952 174.357 176.300 0.016 0.000 1.097 568 M CA -0.302 55.014 55.300 0.027 0.000 0.928 568 M CB 2.433 35.046 32.600 0.022 0.000 1.648 568 M HN 0.679 nan 8.290 nan 0.000 0.460 569 R N 2.480 122.984 120.500 0.006 0.000 2.795 569 R HA 0.794 5.132 4.340 -0.002 0.000 0.275 569 R C -1.403 174.893 176.300 -0.008 0.000 0.981 569 R CA -1.015 55.086 56.100 0.001 0.000 0.917 569 R CB 2.770 33.069 30.300 -0.001 0.000 1.202 569 R HN 0.510 nan 8.270 nan 0.000 0.469 570 V N 4.038 123.948 119.914 -0.008 0.000 2.384 570 V HA 0.479 4.598 4.120 -0.002 0.000 0.287 570 V C -0.453 175.634 176.094 -0.012 0.000 1.020 570 V CA -0.590 61.702 62.300 -0.013 0.000 0.850 570 V CB 1.350 33.167 31.823 -0.010 0.000 0.987 570 V HN 0.460 nan 8.190 nan 0.000 0.436 571 L N 4.161 125.374 121.223 -0.016 0.000 2.408 571 L HA 0.660 4.999 4.340 -0.002 0.000 0.268 571 L C 0.217 177.078 176.870 -0.016 0.000 0.986 571 L CA -0.592 54.239 54.840 -0.015 0.000 0.820 571 L CB 2.381 44.430 42.059 -0.017 0.000 1.303 571 L HN 0.677 nan 8.230 nan 0.000 0.411 572 S N 1.919 117.611 115.700 -0.013 0.000 2.586 572 S HA 0.628 5.096 4.470 -0.002 0.000 0.274 572 S C -0.039 174.553 174.600 -0.013 0.000 1.281 572 S CA -0.752 57.441 58.200 -0.012 0.000 1.035 572 S CB 1.394 64.589 63.200 -0.009 0.000 0.962 572 S HN 0.352 nan 8.310 nan 0.000 0.512 573 I N 0.000 120.562 120.570 -0.013 0.000 2.984 573 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 573 I CA 0.000 61.292 61.300 -0.014 0.000 1.566 573 I CB 0.000 37.990 38.000 -0.016 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494