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 3eb7_1_A DATA FIRST_RESID 64 DATA SEQUENCE ISERDAVKTA ISLVGTILGK LGVPLVGPIV SLYSTLIDVL WPGGKSQWEI DATA SEQUENCE FMEQVEALIN QKIAEYARAK ALAELEGLGN NYQLYLTALE EWQENPSSTR DATA SEQUENCE VLRDVRNRFE ILDSLFTQYM PSFRVTGYEV PLLSVYAQAA NLHLLLLKDA DATA SEQUENCE SIFGEEWGFS TTAINNYYNR QMSLIAQYSD HCVQWYRTGL DRLKGSNAKQ DATA SEQUENCE WVEYNRFRRE MTLSVLDIMT LFPMYDMRTY PMETKAQLTR EVYTDPIGAI DATA SEQUENCE GAQGSWYDSA PSFNTLESTF IRGKHLFDFI TRLSIYTGRS SFSASNYLKK DATA SEQUENCE WIGHQISSQP IGGSIQTQTY GTTSGSSVIA TQQIGFTGFD VYKTLSTAGV DATA SEQUENCE LFAYTSKYYG VSKVVFDAIY PDNKYKTTFT YNPGSEGIGA QEKDSEVELP DATA SEQUENCE PETLDQPNYE AYSHRLNYVT FIRNPDVPVF SWTHRSADRT NTVYSDKITQ DATA SEQUENCE IPVVKASDGP KPSANEVGHY LGGDPISFNS SGSTGVIRLN INSPLSQKYR DATA SEQUENCE VRIRYCSSVD FDLDVVRGGT TVNNGRFNKS APNVGWQSLK YENFKFASFS DATA SEQUENCE TPFTFNQAQD TLKISVRNFS SIVGGSVVYI DRIELIPVN 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 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.080 176.117 -0.061 0.000 1.063 64 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 64 I CB 0.000 37.985 38.000 -0.025 0.000 1.214 65 S N 3.069 118.731 115.700 -0.064 0.000 2.399 65 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 65 S C 1.304 175.841 174.600 -0.105 0.000 1.022 65 S CA 1.932 60.076 58.200 -0.094 0.000 0.983 65 S CB -0.332 62.821 63.200 -0.078 0.000 0.803 65 S HN 0.817 nan 8.310 nan 0.000 0.480 66 E N 0.973 121.131 120.200 -0.070 0.000 2.038 66 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 66 E C 2.349 178.901 176.600 -0.081 0.000 1.000 66 E CA 1.201 57.563 56.400 -0.064 0.000 0.803 66 E CB -0.154 29.522 29.700 -0.039 0.000 0.750 66 E HN 0.416 nan 8.360 nan 0.000 0.448 67 R N 0.880 121.335 120.500 -0.075 0.000 2.096 67 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 67 R C 2.247 178.486 176.300 -0.102 0.000 1.139 67 R CA 1.649 57.702 56.100 -0.079 0.000 0.952 67 R CB -0.374 29.887 30.300 -0.066 0.000 0.854 67 R HN 0.155 nan 8.270 nan 0.000 0.436 68 D N 0.406 120.731 120.400 -0.124 0.000 2.092 68 D HA -0.127 4.512 4.640 -0.000 0.000 0.193 68 D C 1.877 178.034 176.300 -0.239 0.000 0.994 68 D CA 1.745 55.642 54.000 -0.172 0.000 0.828 68 D CB -0.186 40.501 40.800 -0.188 0.000 0.963 68 D HN 0.248 nan 8.370 nan 0.000 0.450 69 A N 0.067 122.725 122.820 -0.270 0.000 1.902 69 A HA -0.125 4.194 4.320 -0.000 0.000 0.217 69 A C 2.620 180.127 177.584 -0.129 0.000 1.181 69 A CA 1.581 53.410 52.037 -0.347 0.000 0.623 69 A CB -0.721 18.131 19.000 -0.248 0.000 0.818 69 A HN 0.220 nan 8.150 nan 0.000 0.443 70 V N -0.094 119.769 119.914 -0.086 0.000 2.453 70 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 70 V C 2.480 178.547 176.094 -0.045 0.000 1.048 70 V CA 2.152 64.425 62.300 -0.044 0.000 1.049 70 V CB -0.527 31.258 31.823 -0.062 0.000 0.672 70 V HN 0.626 nan 8.190 nan 0.000 0.457 71 K N -0.126 120.227 120.400 -0.077 0.000 2.026 71 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 71 K C 2.204 178.764 176.600 -0.067 0.000 1.048 71 K CA 2.051 58.296 56.287 -0.071 0.000 0.929 71 K CB -0.272 32.174 32.500 -0.089 0.000 0.713 71 K HN 0.487 nan 8.250 nan 0.000 0.439 72 T N 0.693 115.183 114.554 -0.108 0.000 2.708 72 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 72 T C 1.870 176.571 174.700 0.003 0.000 1.037 72 T CA 1.432 63.474 62.100 -0.097 0.000 1.146 72 T CB -0.311 68.420 68.868 -0.229 0.000 0.865 72 T HN 0.394 nan 8.240 nan 0.000 0.435 73 A N 0.880 123.742 122.820 0.069 0.000 1.902 73 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 73 A C 2.310 179.918 177.584 0.040 0.000 1.181 73 A CA 1.158 53.243 52.037 0.079 0.000 0.623 73 A CB -0.773 18.288 19.000 0.103 0.000 0.818 73 A HN 0.515 nan 8.150 nan 0.000 0.443 74 I N -0.717 119.877 120.570 0.040 0.000 2.252 74 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 74 I C 2.864 179.009 176.117 0.047 0.000 1.102 74 I CA 1.447 62.788 61.300 0.070 0.000 1.385 74 I CB -0.144 37.904 38.000 0.080 0.000 1.064 74 I HN 0.444 nan 8.210 nan 0.000 0.414 75 S N 0.861 116.569 115.700 0.013 0.000 2.368 75 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 75 S C 2.028 176.628 174.600 -0.000 0.000 1.030 75 S CA 1.185 59.383 58.200 -0.004 0.000 0.999 75 S CB -0.144 63.040 63.200 -0.027 0.000 0.844 75 S HN 0.203 nan 8.310 nan 0.000 0.459 76 L N 2.181 123.404 121.223 -0.001 0.000 2.017 76 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 76 L C 2.830 179.709 176.870 0.015 0.000 1.073 76 L CA 1.977 56.816 54.840 -0.001 0.000 0.745 76 L CB -1.479 40.573 42.059 -0.011 0.000 0.894 76 L HN 0.495 nan 8.230 nan 0.000 0.432 77 V N -2.429 117.498 119.914 0.021 0.000 2.515 77 V HA -0.059 4.061 4.120 -0.000 0.000 0.250 77 V C 2.292 178.406 176.094 0.033 0.000 1.058 77 V CA 1.711 64.023 62.300 0.019 0.000 1.064 77 V CB -1.585 30.230 31.823 -0.013 0.000 0.675 77 V HN 0.356 nan 8.190 nan 0.000 0.461 78 G N 0.036 108.864 108.800 0.047 0.000 2.422 78 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.218 78 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.218 78 G C 1.554 176.461 174.900 0.012 0.000 1.146 78 G CA 1.511 46.633 45.100 0.035 0.000 0.769 78 G HN 0.517 nan 8.290 nan 0.000 0.547 79 T N 1.270 115.828 114.554 0.007 0.000 2.737 79 T HA -0.026 4.324 4.350 -0.000 0.000 0.265 79 T C 2.414 177.118 174.700 0.006 0.000 1.038 79 T CA 0.967 63.068 62.100 0.000 0.000 1.144 79 T CB -0.159 68.707 68.868 -0.004 0.000 0.866 79 T HN 0.224 nan 8.240 nan 0.000 0.434 80 I N 0.737 121.318 120.570 0.019 0.000 2.286 80 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 80 I C 2.168 178.312 176.117 0.044 0.000 1.115 80 I CA 0.682 62.008 61.300 0.042 0.000 1.392 80 I CB -0.306 37.753 38.000 0.099 0.000 1.065 80 I HN 0.141 nan 8.210 nan 0.000 0.418 81 L N 0.824 122.062 121.223 0.025 0.000 2.127 81 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 81 L C 2.383 179.252 176.870 -0.001 0.000 1.089 81 L CA 1.937 56.781 54.840 0.007 0.000 0.757 81 L CB -1.568 40.493 42.059 0.004 0.000 0.899 81 L HN 0.257 nan 8.230 nan 0.000 0.434 82 G N -1.791 107.008 108.800 -0.002 0.000 2.534 82 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 82 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 82 G C 1.442 176.338 174.900 -0.007 0.000 1.128 82 G CA 0.170 45.263 45.100 -0.012 0.000 0.784 82 G HN 0.209 nan 8.290 nan 0.000 0.542 83 K N -0.255 120.149 120.400 0.006 0.000 2.387 83 K HA 0.277 4.597 4.320 -0.000 0.000 0.203 83 K C 0.078 176.695 176.600 0.029 0.000 1.030 83 K CA -0.758 55.537 56.287 0.013 0.000 1.099 83 K CB 0.386 32.891 32.500 0.008 0.000 0.863 83 K HN 0.170 nan 8.250 nan 0.000 0.529 84 L N 1.358 122.600 121.223 0.032 0.000 2.559 84 L HA 0.070 4.410 4.340 -0.000 0.000 0.274 84 L C 1.312 178.212 176.870 0.051 0.000 1.205 84 L CA 1.556 56.426 54.840 0.050 0.000 0.907 84 L CB -0.237 41.829 42.059 0.011 0.000 1.153 84 L HN 0.703 nan 8.230 nan 0.000 0.490 85 G N 2.978 111.829 108.800 0.085 0.000 2.184 85 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.264 85 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.264 85 G C 0.297 175.243 174.900 0.076 0.000 0.975 85 G CA 0.160 45.323 45.100 0.105 0.000 0.642 85 G HN 0.572 nan 8.290 nan 0.000 0.536 86 V N 1.975 121.922 119.914 0.056 0.000 2.521 86 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 86 V C -0.120 176.002 176.094 0.048 0.000 1.034 86 V CA -0.049 62.280 62.300 0.048 0.000 1.045 86 V CB 1.376 33.226 31.823 0.044 0.000 0.974 86 V HN 0.246 nan 8.190 nan 0.000 0.480 87 P HA 0.189 nan 4.420 nan 0.000 0.257 87 P C 0.068 177.420 177.300 0.087 0.000 1.241 87 P CA -0.023 63.090 63.100 0.022 0.000 0.816 87 P CB 0.354 32.059 31.700 0.009 0.000 1.150 88 L N 0.104 121.399 121.223 0.120 0.000 2.416 88 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 88 L C 2.066 179.091 176.870 0.258 0.000 1.161 88 L CA -0.207 54.731 54.840 0.163 0.000 0.845 88 L CB 0.932 43.050 42.059 0.098 0.000 1.119 88 L HN -0.248 nan 8.230 nan 0.000 0.464 89 V N 3.790 123.888 119.914 0.306 0.000 2.490 89 V HA -0.181 3.939 4.120 -0.000 0.000 0.250 89 V C 2.025 178.220 176.094 0.168 0.000 1.061 89 V CA 2.388 64.865 62.300 0.295 0.000 1.064 89 V CB -0.391 31.443 31.823 0.018 0.000 0.670 89 V HN 1.058 nan 8.190 nan 0.000 0.461 90 G N 0.013 108.870 108.800 0.096 0.000 2.480 90 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 90 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 90 G C -0.081 174.874 174.900 0.091 0.000 1.200 90 G CA 1.105 46.244 45.100 0.065 0.000 0.782 90 G HN 0.546 nan 8.290 nan 0.000 0.554 91 P HA -0.075 nan 4.420 nan 0.000 0.216 91 P C 1.865 179.233 177.300 0.114 0.000 1.153 91 P CA 0.843 63.995 63.100 0.087 0.000 0.858 91 P CB -0.068 31.678 31.700 0.076 0.000 0.789 92 I N -1.572 119.108 120.570 0.184 0.000 2.315 92 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 92 I C 2.139 178.440 176.117 0.308 0.000 1.117 92 I CA 1.096 62.544 61.300 0.246 0.000 1.404 92 I CB -0.461 37.798 38.000 0.431 0.000 1.071 92 I HN -0.172 nan 8.210 nan 0.000 0.419 93 V N -0.138 119.934 119.914 0.264 0.000 2.358 93 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 93 V C 2.600 178.811 176.094 0.196 0.000 1.047 93 V CA 2.129 64.571 62.300 0.237 0.000 1.035 93 V CB -0.488 31.414 31.823 0.132 0.000 0.658 93 V HN 0.492 nan 8.190 nan 0.000 0.452 94 S N 0.009 115.789 115.700 0.134 0.000 2.370 94 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 94 S C 1.995 176.651 174.600 0.093 0.000 1.033 94 S CA 2.069 60.327 58.200 0.097 0.000 1.011 94 S CB -0.367 62.873 63.200 0.067 0.000 0.852 94 S HN 0.416 nan 8.310 nan 0.000 0.457 95 L N 0.672 121.940 121.223 0.075 0.000 1.994 95 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 95 L C 2.030 178.914 176.870 0.024 0.000 1.071 95 L CA 2.006 56.850 54.840 0.008 0.000 0.745 95 L CB -1.331 40.684 42.059 -0.073 0.000 0.892 95 L HN 0.451 nan 8.230 nan 0.000 0.431 96 Y N -0.689 119.695 120.300 0.140 0.000 2.207 96 Y HA -0.293 4.257 4.550 -0.000 0.000 0.287 96 Y C 3.053 179.043 175.900 0.151 0.000 1.156 96 Y CA 1.830 60.037 58.100 0.178 0.000 1.182 96 Y CB -0.508 38.088 38.460 0.226 0.000 0.979 96 Y HN 0.369 nan 8.280 nan 0.000 0.521 97 S N -0.729 115.135 115.700 0.273 0.000 2.359 97 S HA -0.225 4.244 4.470 -0.000 0.000 0.224 97 S C 2.079 176.765 174.600 0.144 0.000 1.035 97 S CA 2.128 60.438 58.200 0.183 0.000 1.018 97 S CB -0.582 62.695 63.200 0.129 0.000 0.876 97 S HN 0.487 nan 8.310 nan 0.000 0.448 98 T N 2.665 117.284 114.554 0.108 0.000 2.708 98 T HA -0.023 4.326 4.350 -0.000 0.000 0.266 98 T C 1.712 176.456 174.700 0.073 0.000 1.037 98 T CA 1.315 63.456 62.100 0.069 0.000 1.146 98 T CB -0.419 68.471 68.868 0.037 0.000 0.865 98 T HN 0.173 nan 8.240 nan 0.000 0.435 99 L N 0.839 122.114 121.223 0.087 0.000 2.012 99 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 99 L C 2.353 179.309 176.870 0.142 0.000 1.073 99 L CA 1.394 56.281 54.840 0.078 0.000 0.748 99 L CB -1.067 41.041 42.059 0.081 0.000 0.891 99 L HN 0.322 nan 8.230 nan 0.000 0.431 100 I N -0.683 120.049 120.570 0.271 0.000 2.286 100 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 100 I C 2.012 178.313 176.117 0.306 0.000 1.115 100 I CA 1.151 62.700 61.300 0.416 0.000 1.392 100 I CB -0.387 37.839 38.000 0.376 0.000 1.065 100 I HN 0.243 nan 8.210 nan 0.000 0.418 101 D N 0.405 120.910 120.400 0.176 0.000 2.144 101 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 101 D C 2.273 178.599 176.300 0.045 0.000 0.984 101 D CA 1.075 55.141 54.000 0.110 0.000 0.834 101 D CB -0.088 40.755 40.800 0.071 0.000 0.955 101 D HN 0.119 nan 8.370 nan 0.000 0.465 102 V N 0.240 120.152 119.914 -0.003 0.000 2.346 102 V HA -0.108 4.012 4.120 -0.000 0.000 0.244 102 V C 2.411 178.377 176.094 -0.214 0.000 1.037 102 V CA 1.000 63.243 62.300 -0.095 0.000 1.029 102 V CB -0.276 31.491 31.823 -0.094 0.000 0.663 102 V HN 0.184 nan 8.190 nan 0.000 0.454 103 L N -1.733 119.317 121.223 -0.288 0.000 2.270 103 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 103 L C 0.776 177.172 176.870 -0.790 0.000 1.104 103 L CA 0.767 55.165 54.840 -0.736 0.000 0.804 103 L CB -0.007 41.428 42.059 -1.039 0.000 0.937 103 L HN 0.419 nan 8.230 nan 0.000 0.450 104 W N 0.257 121.574 121.300 0.029 0.000 2.104 104 W HA 0.312 4.972 4.660 -0.000 0.000 0.291 104 W C -2.041 174.500 176.519 0.037 0.000 0.936 104 W CA -1.339 56.052 57.345 0.077 0.000 1.856 104 W CB 0.184 29.726 29.460 0.138 0.000 2.036 104 W HN -0.033 nan 8.180 nan 0.000 0.393 105 P HA 0.048 nan 4.420 nan 0.000 0.233 105 P C 0.933 178.287 177.300 0.091 0.000 1.167 105 P CA 1.113 64.257 63.100 0.073 0.000 0.770 105 P CB 0.749 32.447 31.700 -0.005 0.000 0.837 106 G N -1.154 107.722 108.800 0.127 0.000 2.721 106 G HA2 0.230 4.190 3.960 -0.000 0.000 0.686 106 G HA3 0.230 4.190 3.960 -0.000 0.000 0.686 106 G C 0.556 175.496 174.900 0.067 0.000 1.236 106 G CA -0.216 44.949 45.100 0.108 0.000 0.786 106 G HN 0.584 nan 8.290 nan 0.000 0.616 107 G N -0.378 108.460 108.800 0.063 0.000 2.189 107 G HA2 0.109 4.069 3.960 -0.000 0.000 0.267 107 G HA3 0.109 4.069 3.960 -0.000 0.000 0.267 107 G C 0.375 175.295 174.900 0.034 0.000 0.975 107 G CA 2.061 47.185 45.100 0.040 0.000 0.644 107 G HN 2.461 nan 8.290 nan 0.000 0.537 108 K N -0.679 119.748 120.400 0.045 0.000 2.600 108 K HA 0.545 4.865 4.320 -0.000 0.000 0.262 108 K C -0.634 175.993 176.600 0.045 0.000 0.935 108 K CA 0.216 56.519 56.287 0.027 0.000 0.866 108 K CB 0.818 33.315 32.500 -0.006 0.000 1.354 108 K HN 0.648 nan 8.250 nan 0.000 0.419 109 S N 2.520 118.250 115.700 0.049 0.000 2.448 109 S HA 0.085 4.555 4.470 -0.000 0.000 0.279 109 S C 0.593 175.184 174.600 -0.014 0.000 1.195 109 S CA -0.139 58.114 58.200 0.089 0.000 1.051 109 S CB 1.133 64.411 63.200 0.130 0.000 0.948 109 S HN 0.706 nan 8.310 nan 0.000 0.493 110 Q N 4.513 124.242 119.800 -0.118 0.000 2.230 110 Q HA 0.048 4.388 4.340 -0.000 0.000 0.202 110 Q C 0.850 176.605 176.000 -0.407 0.000 0.963 110 Q CA 1.812 57.397 55.803 -0.363 0.000 0.866 110 Q CB -0.140 28.289 28.738 -0.514 0.000 0.931 110 Q HN 0.953 nan 8.270 nan 0.000 0.452 111 W N 0.193 121.436 121.300 -0.096 0.000 2.402 111 W HA -0.016 4.644 4.660 -0.000 0.000 0.286 111 W C 2.063 178.597 176.519 0.025 0.000 1.221 111 W CA 0.857 58.233 57.345 0.052 0.000 1.257 111 W CB -0.262 29.183 29.460 -0.024 0.000 1.120 111 W HN 0.272 nan 8.180 nan 0.000 0.551 112 E N 1.305 121.597 120.200 0.153 0.000 2.110 112 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 112 E C 1.722 178.321 176.600 -0.002 0.000 0.988 112 E CA 1.680 58.123 56.400 0.072 0.000 0.804 112 E CB -0.616 29.107 29.700 0.038 0.000 0.745 112 E HN 0.324 nan 8.360 nan 0.000 0.458 113 I N -0.151 120.349 120.570 -0.117 0.000 2.208 113 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 113 I C 1.943 177.931 176.117 -0.215 0.000 1.097 113 I CA 1.254 62.419 61.300 -0.225 0.000 1.363 113 I CB -0.392 37.382 38.000 -0.377 0.000 1.051 113 I HN 0.122 nan 8.210 nan 0.000 0.413 114 F N 0.226 120.129 119.950 -0.079 0.000 2.171 114 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 114 F C 2.575 178.372 175.800 -0.006 0.000 1.090 114 F CA 1.162 59.128 58.000 -0.056 0.000 1.293 114 F CB -0.350 38.619 39.000 -0.051 0.000 1.013 114 F HN -0.012 nan 8.300 nan 0.000 0.486 115 M N -0.335 119.378 119.600 0.188 0.000 2.123 115 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 115 M C 2.049 178.396 176.300 0.078 0.000 1.069 115 M CA 1.631 57.007 55.300 0.126 0.000 1.133 115 M CB -0.566 32.095 32.600 0.102 0.000 1.356 115 M HN 0.095 nan 8.290 nan 0.000 0.415 116 E N 0.350 120.575 120.200 0.042 0.000 2.085 116 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 116 E C 2.016 178.628 176.600 0.020 0.000 0.994 116 E CA 1.343 57.754 56.400 0.018 0.000 0.801 116 E CB -0.297 29.395 29.700 -0.012 0.000 0.743 116 E HN 0.524 nan 8.360 nan 0.000 0.453 117 Q N 0.891 120.699 119.800 0.013 0.000 1.985 117 Q HA -0.208 4.132 4.340 -0.000 0.000 0.207 117 Q C 2.284 178.308 176.000 0.040 0.000 0.996 117 Q CA 2.223 58.034 55.803 0.013 0.000 0.851 117 Q CB 0.003 28.750 28.738 0.016 0.000 0.921 117 Q HN 0.187 nan 8.270 nan 0.000 0.418 118 V N 0.931 120.886 119.914 0.068 0.000 2.548 118 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 118 V C 2.023 178.186 176.094 0.114 0.000 1.055 118 V CA 1.896 64.251 62.300 0.091 0.000 1.065 118 V CB -0.621 31.266 31.823 0.106 0.000 0.681 118 V HN 0.378 nan 8.190 nan 0.000 0.462 119 E N 0.891 121.147 120.200 0.094 0.000 2.085 119 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 119 E C 2.362 179.005 176.600 0.072 0.000 0.994 119 E CA 1.460 57.911 56.400 0.085 0.000 0.801 119 E CB -0.357 29.383 29.700 0.067 0.000 0.743 119 E HN 0.604 nan 8.360 nan 0.000 0.453 120 A N 1.050 123.904 122.820 0.057 0.000 1.933 120 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 120 A C 2.175 179.798 177.584 0.065 0.000 1.175 120 A CA 1.033 53.099 52.037 0.048 0.000 0.628 120 A CB -0.541 18.477 19.000 0.030 0.000 0.814 120 A HN 0.136 nan 8.150 nan 0.000 0.444 121 L N -0.520 120.758 121.223 0.090 0.000 2.093 121 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 121 L C 2.372 179.336 176.870 0.156 0.000 1.085 121 L CA 1.583 56.506 54.840 0.138 0.000 0.755 121 L CB -0.348 41.825 42.059 0.190 0.000 0.904 121 L HN 0.698 nan 8.230 nan 0.000 0.435 122 I N -5.062 115.593 120.570 0.142 0.000 4.070 122 I HA 0.205 4.375 4.170 -0.000 0.000 0.328 122 I C 0.595 176.743 176.117 0.051 0.000 1.298 122 I CA -0.011 61.340 61.300 0.085 0.000 1.173 122 I CB 0.177 38.234 38.000 0.095 0.000 1.051 122 I HN 0.173 nan 8.210 nan 0.000 0.409 123 N N 2.342 121.077 118.700 0.059 0.000 2.758 123 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 123 N C -0.803 174.735 175.510 0.048 0.000 1.076 123 N CA 0.804 53.880 53.050 0.044 0.000 0.696 123 N CB -0.683 37.821 38.487 0.028 0.000 0.979 123 N HN 0.651 nan 8.380 nan 0.000 0.550 124 Q N -0.013 119.827 119.800 0.067 0.000 2.399 124 Q HA 0.422 4.762 4.340 -0.000 0.000 0.276 124 Q C -0.319 175.740 176.000 0.099 0.000 1.098 124 Q CA -0.581 55.272 55.803 0.084 0.000 0.827 124 Q CB 1.916 30.712 28.738 0.097 0.000 1.386 124 Q HN 0.201 nan 8.270 nan 0.000 0.443 125 K N 1.788 122.257 120.400 0.114 0.000 2.244 125 K HA 0.472 4.791 4.320 -0.000 0.000 0.260 125 K C -0.487 176.177 176.600 0.108 0.000 0.951 125 K CA -0.604 55.736 56.287 0.089 0.000 0.826 125 K CB 1.054 33.594 32.500 0.066 0.000 1.108 125 K HN 0.561 nan 8.250 nan 0.000 0.433 126 I N 3.108 123.683 120.570 0.008 0.000 2.529 126 I HA 0.053 4.222 4.170 -0.000 0.000 0.284 126 I C 0.697 176.649 176.117 -0.275 0.000 1.082 126 I CA -0.183 60.981 61.300 -0.226 0.000 1.406 126 I CB 1.316 39.204 38.000 -0.188 0.000 1.405 126 I HN 0.638 nan 8.210 nan 0.000 0.548 127 A N 4.715 127.211 122.820 -0.539 0.000 2.531 127 A HA 0.004 4.323 4.320 -0.000 0.000 0.236 127 A C 1.341 178.841 177.584 -0.139 0.000 1.062 127 A CA -0.183 51.718 52.037 -0.226 0.000 0.760 127 A CB 0.260 19.159 19.000 -0.168 0.000 0.995 127 A HN 0.860 nan 8.150 nan 0.000 0.501 128 E N 1.653 121.833 120.200 -0.034 0.000 2.097 128 E HA -0.266 4.083 4.350 -0.000 0.000 0.196 128 E C 1.462 178.064 176.600 0.003 0.000 1.000 128 E CA 2.550 58.943 56.400 -0.012 0.000 0.804 128 E CB -0.478 29.229 29.700 0.013 0.000 0.740 128 E HN 0.831 nan 8.360 nan 0.000 0.454 129 Y N 0.049 120.305 120.300 -0.073 0.000 2.145 129 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 129 Y C 2.201 178.054 175.900 -0.079 0.000 1.145 129 Y CA 2.197 60.260 58.100 -0.061 0.000 1.148 129 Y CB -0.596 37.839 38.460 -0.042 0.000 0.981 129 Y HN 0.159 nan 8.280 nan 0.000 0.507 130 A N 0.472 123.370 122.820 0.129 0.000 1.902 130 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 130 A C 2.330 179.880 177.584 -0.057 0.000 1.181 130 A CA 1.765 53.812 52.037 0.017 0.000 0.623 130 A CB -0.814 18.102 19.000 -0.139 0.000 0.818 130 A HN 0.565 nan 8.150 nan 0.000 0.443 131 R N -0.334 120.114 120.500 -0.086 0.000 2.070 131 R HA -0.091 4.249 4.340 -0.000 0.000 0.233 131 R C 2.346 178.606 176.300 -0.066 0.000 1.137 131 R CA 1.525 57.590 56.100 -0.059 0.000 0.945 131 R CB -0.490 29.778 30.300 -0.054 0.000 0.845 131 R HN 0.401 nan 8.270 nan 0.000 0.430 132 A N 1.347 124.103 122.820 -0.107 0.000 1.892 132 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 132 A C 2.145 179.626 177.584 -0.171 0.000 1.188 132 A CA 1.884 53.837 52.037 -0.139 0.000 0.631 132 A CB -0.553 18.336 19.000 -0.185 0.000 0.822 132 A HN 0.435 nan 8.150 nan 0.000 0.447 133 K N -0.635 119.626 120.400 -0.231 0.000 2.001 133 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 133 K C 2.259 178.756 176.600 -0.172 0.000 1.048 133 K CA 1.168 57.315 56.287 -0.233 0.000 0.932 133 K CB -0.360 31.988 32.500 -0.254 0.000 0.715 133 K HN 0.364 nan 8.250 nan 0.000 0.437 134 A N 1.124 123.897 122.820 -0.077 0.000 1.883 134 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 134 A C 1.994 179.563 177.584 -0.025 0.000 1.186 134 A CA 1.362 53.430 52.037 0.052 0.000 0.624 134 A CB -0.648 18.467 19.000 0.191 0.000 0.822 134 A HN 0.274 nan 8.150 nan 0.000 0.444 135 L N -0.559 120.642 121.223 -0.037 0.000 2.046 135 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 135 L C 2.972 179.810 176.870 -0.053 0.000 1.077 135 L CA 1.907 56.733 54.840 -0.023 0.000 0.747 135 L CB -1.367 40.693 42.059 0.001 0.000 0.896 135 L HN 0.432 nan 8.230 nan 0.000 0.432 136 A N -0.909 121.849 122.820 -0.103 0.000 1.873 136 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 136 A C 2.201 179.674 177.584 -0.185 0.000 1.186 136 A CA 1.442 53.407 52.037 -0.120 0.000 0.616 136 A CB -0.432 18.485 19.000 -0.138 0.000 0.823 136 A HN 0.496 nan 8.150 nan 0.000 0.442 137 E N -0.165 119.831 120.200 -0.339 0.000 2.077 137 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 137 E C 1.889 178.274 176.600 -0.359 0.000 0.989 137 E CA 1.213 57.210 56.400 -0.672 0.000 0.800 137 E CB -0.300 28.658 29.700 -1.237 0.000 0.746 137 E HN 0.612 nan 8.360 nan 0.000 0.452 138 L N 0.628 121.714 121.223 -0.229 0.000 2.156 138 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 138 L C 2.508 179.444 176.870 0.109 0.000 1.095 138 L CA 0.833 55.535 54.840 -0.231 0.000 0.770 138 L CB -0.105 41.523 42.059 -0.719 0.000 0.914 138 L HN 0.072 nan 8.230 nan 0.000 0.439 139 E N 0.526 120.782 120.200 0.094 0.000 2.046 139 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 139 E C 2.183 178.790 176.600 0.011 0.000 0.982 139 E CA 1.355 57.856 56.400 0.168 0.000 0.800 139 E CB -0.393 29.378 29.700 0.118 0.000 0.756 139 E HN 0.270 nan 8.360 nan 0.000 0.449 140 G N 0.611 109.392 108.800 -0.033 0.000 2.450 140 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.220 140 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.220 140 G C 1.497 176.342 174.900 -0.091 0.000 1.130 140 G CA 0.934 46.001 45.100 -0.055 0.000 0.760 140 G HN 0.334 nan 8.290 nan 0.000 0.557 141 L N 1.329 122.513 121.223 -0.066 0.000 2.141 141 L HA 0.209 4.549 4.340 -0.000 0.000 0.209 141 L C 2.801 179.482 176.870 -0.315 0.000 1.094 141 L CA 1.901 56.672 54.840 -0.115 0.000 0.763 141 L CB -0.750 41.306 42.059 -0.005 0.000 0.908 141 L HN 0.161 nan 8.230 nan 0.000 0.437 142 G N -0.807 107.580 108.800 -0.689 0.000 2.421 142 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 142 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 142 G C 1.433 175.894 174.900 -0.732 0.000 1.171 142 G CA 0.732 44.813 45.100 -1.699 0.000 0.775 142 G HN 0.423 nan 8.290 nan 0.000 0.543 143 N N 1.376 119.845 118.700 -0.385 0.000 2.104 143 N HA -0.095 4.645 4.740 -0.000 0.000 0.190 143 N C 1.942 177.348 175.510 -0.172 0.000 1.024 143 N CA 0.934 53.862 53.050 -0.204 0.000 0.853 143 N CB -0.428 37.984 38.487 -0.125 0.000 1.008 143 N HN 0.260 nan 8.380 nan 0.000 0.424 144 N N 0.147 118.728 118.700 -0.198 0.000 2.309 144 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 144 N C 1.558 176.949 175.510 -0.198 0.000 1.018 144 N CA 0.495 53.426 53.050 -0.198 0.000 0.876 144 N CB -0.225 38.113 38.487 -0.248 0.000 0.972 144 N HN 0.379 nan 8.380 nan 0.000 0.434 145 Y N 2.159 122.310 120.300 -0.248 0.000 2.242 145 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 145 Y C 2.597 178.462 175.900 -0.059 0.000 1.137 145 Y CA 1.052 59.073 58.100 -0.131 0.000 1.181 145 Y CB 0.138 38.448 38.460 -0.250 0.000 0.989 145 Y HN 0.108 nan 8.280 nan 0.000 0.527 146 Q N -0.006 119.813 119.800 0.033 0.000 2.084 146 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 146 Q C 2.264 178.270 176.000 0.010 0.000 0.978 146 Q CA 1.635 57.454 55.803 0.028 0.000 0.844 146 Q CB -0.557 28.175 28.738 -0.009 0.000 0.898 146 Q HN 0.535 nan 8.270 nan 0.000 0.426 147 L N -0.436 120.777 121.223 -0.016 0.000 2.093 147 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 147 L C 2.509 179.377 176.870 -0.003 0.000 1.085 147 L CA 1.163 55.988 54.840 -0.025 0.000 0.755 147 L CB -0.654 41.376 42.059 -0.049 0.000 0.904 147 L HN 0.161 nan 8.230 nan 0.000 0.435 148 Y N 0.807 121.018 120.300 -0.148 0.000 2.200 148 Y HA -0.249 4.300 4.550 -0.000 0.000 0.290 148 Y C 2.346 178.174 175.900 -0.120 0.000 1.137 148 Y CA 1.351 59.345 58.100 -0.176 0.000 1.163 148 Y CB -0.283 38.011 38.460 -0.275 0.000 0.988 148 Y HN 0.025 nan 8.280 nan 0.000 0.518 149 L N -0.213 120.913 121.223 -0.161 0.000 2.042 149 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 149 L C 2.197 178.992 176.870 -0.125 0.000 1.076 149 L CA 2.685 57.418 54.840 -0.179 0.000 0.749 149 L CB -1.240 40.825 42.059 0.011 0.000 0.893 149 L HN 0.254 nan 8.230 nan 0.000 0.432 150 T N -0.253 114.259 114.554 -0.070 0.000 2.821 150 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 150 T C 1.883 176.543 174.700 -0.067 0.000 1.046 150 T CA 1.197 63.267 62.100 -0.050 0.000 1.139 150 T CB -0.456 68.394 68.868 -0.030 0.000 0.871 150 T HN 0.532 nan 8.240 nan 0.000 0.454 151 A N 1.054 123.814 122.820 -0.101 0.000 1.930 151 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 151 A C 2.245 179.761 177.584 -0.114 0.000 1.175 151 A CA 1.043 53.012 52.037 -0.113 0.000 0.627 151 A CB -0.737 18.185 19.000 -0.130 0.000 0.815 151 A HN 0.469 nan 8.150 nan 0.000 0.443 152 L N -0.870 120.233 121.223 -0.200 0.000 2.093 152 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 152 L C 2.530 179.420 176.870 0.034 0.000 1.085 152 L CA 1.490 56.283 54.840 -0.079 0.000 0.755 152 L CB -0.404 41.514 42.059 -0.235 0.000 0.904 152 L HN 0.456 nan 8.230 nan 0.000 0.435 153 E N -0.540 119.647 120.200 -0.021 0.000 2.107 153 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 153 E C 2.022 178.616 176.600 -0.009 0.000 0.982 153 E CA 0.636 57.029 56.400 -0.012 0.000 0.809 153 E CB 0.133 29.825 29.700 -0.014 0.000 0.756 153 E HN 0.295 nan 8.360 nan 0.000 0.459 154 E N -0.157 120.045 120.200 0.004 0.000 2.274 154 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 154 E C 1.440 178.076 176.600 0.059 0.000 0.996 154 E CA 0.422 56.829 56.400 0.010 0.000 0.840 154 E CB -0.160 29.539 29.700 -0.001 0.000 0.772 154 E HN 0.385 nan 8.360 nan 0.000 0.491 155 W N 2.000 123.234 121.300 -0.110 0.000 2.407 155 W HA -0.101 4.559 4.660 -0.000 0.000 0.305 155 W C 2.135 178.613 176.519 -0.067 0.000 1.196 155 W CA 1.561 58.848 57.345 -0.096 0.000 1.311 155 W CB -0.398 28.987 29.460 -0.124 0.000 1.135 155 W HN 0.055 nan 8.180 nan 0.000 0.514 156 Q N 0.360 120.006 119.800 -0.258 0.000 2.297 156 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 156 Q C 1.425 177.232 176.000 -0.321 0.000 0.981 156 Q CA 2.083 57.615 55.803 -0.452 0.000 0.876 156 Q CB -0.159 28.435 28.738 -0.239 0.000 0.921 156 Q HN 0.680 nan 8.270 nan 0.000 0.446 157 E N -1.831 118.252 120.200 -0.194 0.000 2.562 157 E HA 0.093 4.443 4.350 -0.000 0.000 0.214 157 E C -0.116 176.423 176.600 -0.102 0.000 0.979 157 E CA -0.164 56.156 56.400 -0.133 0.000 1.002 157 E CB 0.429 30.079 29.700 -0.083 0.000 1.048 157 E HN -0.021 nan 8.360 nan 0.000 0.488 158 N N 1.054 119.693 118.700 -0.101 0.000 2.697 158 N HA 0.199 4.939 4.740 -0.000 0.000 0.253 158 N C -2.342 173.154 175.510 -0.022 0.000 1.604 158 N CA -1.843 51.178 53.050 -0.048 0.000 0.772 158 N CB 1.377 39.857 38.487 -0.012 0.000 1.267 158 N HN -0.077 nan 8.380 nan 0.000 0.510 159 P HA 0.007 nan 4.420 nan 0.000 0.225 159 P C 1.113 178.496 177.300 0.139 0.000 1.156 159 P CA 0.779 63.836 63.100 -0.073 0.000 0.787 159 P CB 0.329 31.876 31.700 -0.255 0.000 0.802 160 S N -2.255 113.486 115.700 0.069 0.000 2.503 160 S HA 0.067 4.536 4.470 -0.000 0.000 0.217 160 S C 1.184 175.827 174.600 0.071 0.000 0.999 160 S CA -0.158 58.087 58.200 0.074 0.000 0.914 160 S CB -1.024 62.198 63.200 0.036 0.000 0.782 160 S HN 0.043 nan 8.310 nan 0.000 0.520 161 S N 1.269 117.008 115.700 0.064 0.000 2.546 161 S HA 0.129 4.599 4.470 -0.000 0.000 0.290 161 S C 1.103 175.732 174.600 0.048 0.000 1.290 161 S CA 0.229 58.456 58.200 0.046 0.000 1.069 161 S CB 0.580 63.801 63.200 0.035 0.000 0.846 161 S HN 0.459 nan 8.310 nan 0.000 0.495 162 T N 4.390 118.958 114.554 0.022 0.000 2.942 162 T HA 0.045 4.395 4.350 -0.000 0.000 0.265 162 T C 1.892 176.581 174.700 -0.019 0.000 1.062 162 T CA 1.024 63.128 62.100 0.006 0.000 1.139 162 T CB -0.084 68.784 68.868 0.001 0.000 0.883 162 T HN 0.696 nan 8.240 nan 0.000 0.468 163 R N 0.316 120.806 120.500 -0.016 0.000 2.073 163 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 163 R C 2.429 178.701 176.300 -0.046 0.000 1.134 163 R CA 1.296 57.377 56.100 -0.031 0.000 0.952 163 R CB -0.746 29.541 30.300 -0.021 0.000 0.850 163 R HN 0.237 nan 8.270 nan 0.000 0.433 164 V N 1.044 120.945 119.914 -0.021 0.000 2.343 164 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 164 V C 2.169 178.208 176.094 -0.091 0.000 1.051 164 V CA 1.672 63.962 62.300 -0.017 0.000 1.036 164 V CB -0.413 31.447 31.823 0.061 0.000 0.654 164 V HN 0.261 nan 8.190 nan 0.000 0.451 165 L N -0.746 120.427 121.223 -0.084 0.000 2.093 165 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 165 L C 2.708 179.381 176.870 -0.329 0.000 1.085 165 L CA 1.461 56.162 54.840 -0.233 0.000 0.755 165 L CB -0.523 41.488 42.059 -0.080 0.000 0.904 165 L HN 0.183 nan 8.230 nan 0.000 0.435 166 R N -0.117 120.262 120.500 -0.202 0.000 2.096 166 R HA -0.191 4.148 4.340 -0.000 0.000 0.235 166 R C 1.936 178.110 176.300 -0.210 0.000 1.127 166 R CA 1.608 57.595 56.100 -0.187 0.000 0.968 166 R CB -0.107 30.126 30.300 -0.111 0.000 0.861 166 R HN 0.275 nan 8.270 nan 0.000 0.440 167 D N -0.435 119.845 120.400 -0.200 0.000 2.084 167 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 167 D C 1.744 177.894 176.300 -0.250 0.000 0.985 167 D CA 0.918 54.811 54.000 -0.179 0.000 0.826 167 D CB -0.134 40.588 40.800 -0.130 0.000 0.978 167 D HN 0.048 nan 8.370 nan 0.000 0.456 168 V N 0.672 120.338 119.914 -0.412 0.000 2.343 168 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 168 V C 2.549 178.198 176.094 -0.742 0.000 1.051 168 V CA 2.004 63.935 62.300 -0.615 0.000 1.036 168 V CB -0.372 30.857 31.823 -0.990 0.000 0.654 168 V HN 0.162 nan 8.190 nan 0.000 0.451 169 R N 0.240 120.249 120.500 -0.819 0.000 2.073 169 R HA -0.230 4.109 4.340 -0.000 0.000 0.234 169 R C 2.195 178.439 176.300 -0.093 0.000 1.134 169 R CA 2.325 58.119 56.100 -0.511 0.000 0.952 169 R CB -0.623 29.383 30.300 -0.490 0.000 0.850 169 R HN 0.731 nan 8.270 nan 0.000 0.433 170 N N 0.248 118.868 118.700 -0.133 0.000 2.166 170 N HA -0.166 4.573 4.740 -0.000 0.000 0.186 170 N C 1.654 177.130 175.510 -0.057 0.000 1.019 170 N CA 1.353 54.370 53.050 -0.055 0.000 0.856 170 N CB 0.015 38.453 38.487 -0.081 0.000 0.993 170 N HN 0.111 nan 8.380 nan 0.000 0.426 171 R N -0.347 120.105 120.500 -0.079 0.000 2.090 171 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 171 R C 2.000 178.175 176.300 -0.209 0.000 1.110 171 R CA 0.833 56.880 56.100 -0.089 0.000 0.973 171 R CB -1.214 29.103 30.300 0.028 0.000 0.869 171 R HN 0.439 nan 8.270 nan 0.000 0.440 172 F N 2.247 121.999 119.950 -0.329 0.000 2.146 172 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 172 F C 1.843 177.512 175.800 -0.219 0.000 1.096 172 F CA 1.453 59.187 58.000 -0.443 0.000 1.275 172 F CB 0.016 38.917 39.000 -0.164 0.000 1.008 172 F HN -0.013 nan 8.300 nan 0.000 0.480 173 E N 0.583 120.784 120.200 0.001 0.000 2.152 173 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 173 E C 2.269 178.771 176.600 -0.164 0.000 0.983 173 E CA 1.390 57.781 56.400 -0.014 0.000 0.818 173 E CB -0.181 29.655 29.700 0.227 0.000 0.758 173 E HN 0.511 nan 8.360 nan 0.000 0.467 174 I N 0.880 121.338 120.570 -0.187 0.000 2.252 174 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 174 I C 2.215 178.128 176.117 -0.339 0.000 1.102 174 I CA 0.948 62.111 61.300 -0.228 0.000 1.385 174 I CB -0.074 37.807 38.000 -0.198 0.000 1.064 174 I HN 0.109 nan 8.210 nan 0.000 0.414 175 L N 0.199 121.154 121.223 -0.446 0.000 2.017 175 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 175 L C 2.287 178.958 176.870 -0.332 0.000 1.073 175 L CA 1.759 56.294 54.840 -0.508 0.000 0.745 175 L CB -0.622 41.042 42.059 -0.660 0.000 0.894 175 L HN 0.280 nan 8.230 nan 0.000 0.432 176 D N -0.657 119.529 120.400 -0.358 0.000 2.123 176 D HA -0.237 4.402 4.640 -0.000 0.000 0.196 176 D C 2.324 178.545 176.300 -0.132 0.000 0.992 176 D CA 1.558 55.458 54.000 -0.168 0.000 0.833 176 D CB 0.035 40.636 40.800 -0.332 0.000 0.954 176 D HN 0.171 nan 8.370 nan 0.000 0.455 177 S N -1.093 114.492 115.700 -0.192 0.000 2.382 177 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 177 S C 1.922 176.325 174.600 -0.329 0.000 1.027 177 S CA 0.753 58.837 58.200 -0.194 0.000 0.991 177 S CB -0.383 62.716 63.200 -0.168 0.000 0.823 177 S HN 0.235 nan 8.310 nan 0.000 0.469 178 L N 0.588 121.527 121.223 -0.473 0.000 2.056 178 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 178 L C 2.208 178.606 176.870 -0.787 0.000 1.078 178 L CA 1.482 55.830 54.840 -0.820 0.000 0.749 178 L CB -1.677 39.912 42.059 -0.784 0.000 0.901 178 L HN 0.373 nan 8.230 nan 0.000 0.433 179 F N -0.023 119.633 119.950 -0.490 0.000 2.069 179 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 179 F C 2.500 178.042 175.800 -0.429 0.000 1.113 179 F CA 1.886 59.575 58.000 -0.518 0.000 1.214 179 F CB -0.832 37.527 39.000 -1.068 0.000 0.978 179 F HN 0.058 nan 8.300 nan 0.000 0.474 180 T N -0.492 113.963 114.554 -0.164 0.000 2.699 180 T HA -0.274 4.075 4.350 -0.000 0.000 0.268 180 T C 1.774 176.409 174.700 -0.109 0.000 1.036 180 T CA 1.718 63.778 62.100 -0.066 0.000 1.147 180 T CB -0.416 68.434 68.868 -0.030 0.000 0.862 180 T HN 0.381 nan 8.240 nan 0.000 0.446 181 Q N -0.679 118.980 119.800 -0.235 0.000 2.172 181 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 181 Q C 1.890 177.830 176.000 -0.100 0.000 0.964 181 Q CA 1.148 56.824 55.803 -0.212 0.000 0.855 181 Q CB -0.102 28.430 28.738 -0.343 0.000 0.918 181 Q HN 0.691 nan 8.270 nan 0.000 0.444 182 Y N -0.883 119.265 120.300 -0.253 0.000 2.476 182 Y HA 0.003 4.553 4.550 -0.000 0.000 0.283 182 Y C 2.264 177.710 175.900 -0.758 0.000 1.109 182 Y CA -0.627 57.203 58.100 -0.450 0.000 1.246 182 Y CB 0.242 38.467 38.460 -0.391 0.000 1.068 182 Y HN 0.083 nan 8.280 nan 0.000 0.552 183 M N 0.306 119.741 119.600 -0.276 0.000 2.143 183 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 183 M C -0.924 175.222 176.300 -0.256 0.000 1.071 183 M CA 1.740 56.884 55.300 -0.259 0.000 1.088 183 M CB -2.382 30.220 32.600 0.002 0.000 1.360 183 M HN 0.102 nan 8.290 nan 0.000 0.404 184 P HA -0.032 nan 4.420 nan 0.000 0.222 184 P C 1.377 178.597 177.300 -0.133 0.000 1.147 184 P CA 1.091 64.144 63.100 -0.079 0.000 0.790 184 P CB -0.127 31.553 31.700 -0.034 0.000 0.780 185 S N -1.342 114.147 115.700 -0.351 0.000 2.474 185 S HA -0.014 4.455 4.470 -0.000 0.000 0.235 185 S C 1.084 175.622 174.600 -0.102 0.000 0.997 185 S CA 0.857 58.872 58.200 -0.309 0.000 0.949 185 S CB -0.952 61.957 63.200 -0.485 0.000 0.766 185 S HN 0.285 nan 8.310 nan 0.000 0.517 186 F N 1.457 121.448 119.950 0.068 0.000 2.660 186 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 186 F C 1.198 177.111 175.800 0.188 0.000 1.103 186 F CA -0.547 57.528 58.000 0.123 0.000 1.340 186 F CB 0.106 39.172 39.000 0.110 0.000 1.048 186 F HN 0.128 nan 8.300 nan 0.000 0.551 187 R N -0.753 119.875 120.500 0.213 0.000 2.579 187 R HA 0.293 4.633 4.340 -0.000 0.000 0.386 187 R C -1.114 175.207 176.300 0.035 0.000 1.065 187 R CA -0.301 55.843 56.100 0.074 0.000 1.143 187 R CB -0.846 29.446 30.300 -0.013 0.000 1.357 187 R HN -0.051 nan 8.270 nan 0.000 0.644 188 V N 1.778 121.746 119.914 0.091 0.000 2.617 188 V HA -0.031 4.089 4.120 -0.000 0.000 0.304 188 V C 0.806 176.951 176.094 0.084 0.000 1.040 188 V CA 0.621 62.995 62.300 0.122 0.000 1.149 188 V CB 0.954 32.900 31.823 0.205 0.000 0.914 188 V HN 0.411 nan 8.190 nan 0.000 0.487 189 T N 4.981 119.559 114.554 0.039 0.000 2.871 189 T HA 0.343 4.693 4.350 -0.000 0.000 0.296 189 T C 1.253 175.863 174.700 -0.149 0.000 0.998 189 T CA 1.161 63.237 62.100 -0.039 0.000 1.162 189 T CB 0.291 69.160 68.868 0.001 0.000 0.947 189 T HN 1.439 nan 8.240 nan 0.000 0.536 190 G N 2.839 111.471 108.800 -0.280 0.000 2.195 190 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.246 190 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.246 190 G C 0.333 174.749 174.900 -0.806 0.000 0.984 190 G CA 0.144 44.915 45.100 -0.548 0.000 0.633 190 G HN 0.783 nan 8.290 nan 0.000 0.525 191 Y N 0.027 120.253 120.300 -0.123 0.000 2.767 191 Y HA 0.389 4.938 4.550 -0.000 0.000 0.254 191 Y C 1.795 177.587 175.900 -0.180 0.000 1.133 191 Y CA 0.231 58.273 58.100 -0.098 0.000 1.225 191 Y CB 0.538 38.981 38.460 -0.027 0.000 1.312 191 Y HN 0.242 nan 8.280 nan 0.000 0.560 192 E N 0.508 120.498 120.200 -0.351 0.000 2.118 192 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 192 E C 1.970 178.351 176.600 -0.366 0.000 0.992 192 E CA 1.664 57.688 56.400 -0.626 0.000 0.804 192 E CB -0.143 28.450 29.700 -1.846 0.000 0.741 192 E HN 0.260 nan 8.360 nan 0.000 0.458 193 V N 1.267 121.066 119.914 -0.192 0.000 2.239 193 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 193 V C -0.928 175.242 176.094 0.127 0.000 1.038 193 V CA 1.842 64.187 62.300 0.076 0.000 1.002 193 V CB -1.549 30.371 31.823 0.163 0.000 0.641 193 V HN 0.251 nan 8.190 nan 0.000 0.449 194 P HA -0.136 nan 4.420 nan 0.000 0.221 194 P C 1.421 178.804 177.300 0.138 0.000 1.145 194 P CA 1.464 64.654 63.100 0.150 0.000 0.795 194 P CB -0.050 31.751 31.700 0.170 0.000 0.775 195 L N -1.355 119.948 121.223 0.133 0.000 2.628 195 L HA 0.138 4.478 4.340 -0.000 0.000 0.229 195 L C 2.442 179.418 176.870 0.175 0.000 1.137 195 L CA -0.139 54.794 54.840 0.155 0.000 0.909 195 L CB -0.400 41.771 42.059 0.186 0.000 1.137 195 L HN -0.075 nan 8.230 nan 0.000 0.470 196 L N -0.118 121.192 121.223 0.145 0.000 2.027 196 L HA -0.199 4.140 4.340 -0.000 0.000 0.206 196 L C 2.766 179.729 176.870 0.154 0.000 1.074 196 L CA 2.032 56.973 54.840 0.168 0.000 0.745 196 L CB -0.107 42.040 42.059 0.147 0.000 0.898 196 L HN 0.506 nan 8.230 nan 0.000 0.433 197 S N -1.240 114.504 115.700 0.074 0.000 2.382 197 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 197 S C 1.890 176.353 174.600 -0.228 0.000 1.027 197 S CA 1.177 59.343 58.200 -0.056 0.000 0.991 197 S CB -0.869 62.332 63.200 0.002 0.000 0.823 197 S HN 0.224 nan 8.310 nan 0.000 0.469 198 V N 1.144 121.023 119.914 -0.059 0.000 2.255 198 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 198 V C 2.253 178.296 176.094 -0.084 0.000 1.051 198 V CA 2.326 64.597 62.300 -0.048 0.000 1.018 198 V CB -1.099 30.718 31.823 -0.011 0.000 0.641 198 V HN 0.636 nan 8.190 nan 0.000 0.445 199 Y N 1.125 121.387 120.300 -0.064 0.000 2.114 199 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 199 Y C 2.405 178.303 175.900 -0.004 0.000 1.165 199 Y CA 2.067 60.178 58.100 0.019 0.000 1.148 199 Y CB -0.511 38.034 38.460 0.141 0.000 0.972 199 Y HN 0.170 nan 8.280 nan 0.000 0.504 200 A N 0.107 123.090 122.820 0.272 0.000 1.908 200 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 200 A C 2.068 179.691 177.584 0.065 0.000 1.181 200 A CA 1.954 54.107 52.037 0.193 0.000 0.627 200 A CB -0.652 18.418 19.000 0.115 0.000 0.818 200 A HN 0.584 nan 8.150 nan 0.000 0.445 201 Q N -0.692 119.055 119.800 -0.087 0.000 2.123 201 Q HA -0.010 4.330 4.340 -0.000 0.000 0.199 201 Q C 2.407 178.478 176.000 0.119 0.000 0.966 201 Q CA 1.504 57.260 55.803 -0.079 0.000 0.845 201 Q CB -0.737 27.724 28.738 -0.463 0.000 0.907 201 Q HN 0.661 nan 8.270 nan 0.000 0.439 202 A N 1.178 124.032 122.820 0.056 0.000 1.898 202 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 202 A C 2.355 179.868 177.584 -0.119 0.000 1.181 202 A CA 1.723 53.776 52.037 0.027 0.000 0.620 202 A CB -0.690 18.175 19.000 -0.225 0.000 0.819 202 A HN 0.338 nan 8.150 nan 0.000 0.442 203 A N 0.572 123.145 122.820 -0.411 0.000 1.873 203 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 203 A C 2.091 179.431 177.584 -0.407 0.000 1.193 203 A CA 1.971 53.543 52.037 -0.775 0.000 0.629 203 A CB -0.973 17.471 19.000 -0.926 0.000 0.826 203 A HN 0.718 nan 8.150 nan 0.000 0.447 204 N N 0.009 118.656 118.700 -0.088 0.000 2.037 204 N HA -0.195 4.545 4.740 -0.000 0.000 0.196 204 N C 1.858 177.377 175.510 0.014 0.000 1.034 204 N CA 1.955 55.077 53.050 0.119 0.000 0.861 204 N CB -0.275 38.442 38.487 0.382 0.000 1.039 204 N HN 0.513 nan 8.380 nan 0.000 0.427 205 L N 0.055 121.302 121.223 0.040 0.000 2.043 205 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 205 L C 2.698 179.503 176.870 -0.109 0.000 1.075 205 L CA 1.471 56.374 54.840 0.105 0.000 0.752 205 L CB -0.885 41.402 42.059 0.380 0.000 0.891 205 L HN 0.440 nan 8.230 nan 0.000 0.432 206 H N 0.156 118.803 119.070 -0.706 0.000 2.353 206 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 206 H C 2.358 177.469 175.328 -0.361 0.000 1.090 206 H CA 1.277 56.737 56.048 -0.980 0.000 1.327 206 H CB 0.221 29.394 29.762 -0.982 0.000 1.383 206 H HN 0.263 nan 8.280 nan 0.000 0.508 207 L N 0.430 121.501 121.223 -0.253 0.000 2.141 207 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 207 L C 2.506 179.302 176.870 -0.123 0.000 1.094 207 L CA 0.447 55.176 54.840 -0.185 0.000 0.763 207 L CB -0.195 41.789 42.059 -0.124 0.000 0.908 207 L HN 0.305 nan 8.230 nan 0.000 0.437 208 L N -0.725 120.373 121.223 -0.208 0.000 2.217 208 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 208 L C 2.449 179.367 176.870 0.080 0.000 1.107 208 L CA 0.560 55.242 54.840 -0.263 0.000 0.783 208 L CB -0.246 41.634 42.059 -0.298 0.000 0.919 208 L HN 0.237 nan 8.230 nan 0.000 0.442 209 L N -0.657 120.669 121.223 0.172 0.000 2.005 209 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 209 L C 2.220 179.267 176.870 0.295 0.000 1.072 209 L CA 1.621 56.648 54.840 0.312 0.000 0.744 209 L CB -0.395 41.761 42.059 0.161 0.000 0.895 209 L HN 0.039 nan 8.230 nan 0.000 0.433 210 L N 0.291 121.565 121.223 0.086 0.000 2.187 210 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 210 L C 2.512 179.426 176.870 0.074 0.000 1.100 210 L CA 1.753 56.630 54.840 0.063 0.000 0.765 210 L CB -1.394 40.611 42.059 -0.089 0.000 0.904 210 L HN 0.471 nan 8.230 nan 0.000 0.437 211 K N -0.515 119.922 120.400 0.061 0.000 2.155 211 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 211 K C 1.420 177.991 176.600 -0.048 0.000 1.052 211 K CA 1.191 57.496 56.287 0.030 0.000 0.948 211 K CB 0.080 32.590 32.500 0.016 0.000 0.728 211 K HN 0.252 nan 8.250 nan 0.000 0.448 212 D N 1.192 121.630 120.400 0.063 0.000 2.117 212 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 212 D C 1.860 177.982 176.300 -0.297 0.000 0.987 212 D CA 1.351 55.351 54.000 -0.000 0.000 0.829 212 D CB -0.307 40.844 40.800 0.584 0.000 0.961 212 D HN 0.358 nan 8.370 nan 0.000 0.460 213 A N 0.658 123.317 122.820 -0.267 0.000 1.948 213 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 213 A C 2.456 179.854 177.584 -0.310 0.000 1.177 213 A CA 2.036 53.774 52.037 -0.498 0.000 0.636 213 A CB -0.638 18.040 19.000 -0.536 0.000 0.815 213 A HN 0.179 nan 8.150 nan 0.000 0.449 214 S N -0.803 114.781 115.700 -0.192 0.000 2.387 214 S HA -0.014 4.456 4.470 -0.000 0.000 0.226 214 S C 1.710 176.154 174.600 -0.259 0.000 1.026 214 S CA 1.374 59.486 58.200 -0.146 0.000 0.972 214 S CB -0.353 62.829 63.200 -0.030 0.000 0.814 214 S HN 0.564 nan 8.310 nan 0.000 0.477 215 I N -0.749 119.546 120.570 -0.459 0.000 2.703 215 I HA 0.064 4.234 4.170 -0.000 0.000 0.259 215 I C 1.037 176.808 176.117 -0.577 0.000 1.151 215 I CA 1.070 61.996 61.300 -0.624 0.000 1.470 215 I CB -0.009 37.379 38.000 -1.021 0.000 1.112 215 I HN 0.238 nan 8.210 nan 0.000 0.437 216 F N -0.665 118.999 119.950 -0.476 0.000 2.784 216 F HA 0.328 4.855 4.527 -0.000 0.000 0.323 216 F C 2.313 177.403 175.800 -1.183 0.000 1.085 216 F CA -0.055 57.410 58.000 -0.891 0.000 1.196 216 F CB -0.125 38.019 39.000 -1.427 0.000 1.053 216 F HN -0.087 nan 8.300 nan 0.000 0.578 217 G N 1.138 109.589 108.800 -0.580 0.000 2.491 217 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 217 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 217 G C 1.529 176.449 174.900 0.034 0.000 1.180 217 G CA 1.351 46.382 45.100 -0.115 0.000 0.774 217 G HN 0.439 nan 8.290 nan 0.000 0.562 218 E N 0.642 120.833 120.200 -0.015 0.000 2.058 218 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 218 E C 2.231 178.846 176.600 0.025 0.000 0.997 218 E CA 1.569 57.990 56.400 0.035 0.000 0.801 218 E CB -0.389 29.324 29.700 0.021 0.000 0.746 218 E HN 0.508 nan 8.360 nan 0.000 0.450 219 E N -0.342 119.855 120.200 -0.005 0.000 2.114 219 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 219 E C 1.382 178.064 176.600 0.137 0.000 1.008 219 E CA 1.953 58.407 56.400 0.089 0.000 0.810 219 E CB -0.175 29.635 29.700 0.183 0.000 0.739 219 E HN 0.507 nan 8.360 nan 0.000 0.456 220 W N -0.564 120.654 121.300 -0.137 0.000 3.256 220 W HA 0.358 5.018 4.660 -0.000 0.000 0.269 220 W C 1.147 177.464 176.519 -0.337 0.000 1.310 220 W CA 0.778 57.926 57.345 -0.328 0.000 1.673 220 W CB -0.435 28.709 29.460 -0.527 0.000 1.115 220 W HN 0.240 nan 8.180 nan 0.000 0.686 221 G N 0.099 108.898 108.800 -0.001 0.000 2.137 221 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.237 221 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.237 221 G C -0.016 174.861 174.900 -0.038 0.000 1.002 221 G CA -0.654 44.430 45.100 -0.026 0.000 0.702 221 G HN 0.143 nan 8.290 nan 0.000 0.515 222 F N 1.990 122.001 119.950 0.101 0.000 2.506 222 F HA 0.423 4.949 4.527 -0.000 0.000 0.351 222 F C 1.672 177.512 175.800 0.065 0.000 1.136 222 F CA 0.243 58.306 58.000 0.103 0.000 1.298 222 F CB 0.817 39.899 39.000 0.137 0.000 1.145 222 F HN 0.309 nan 8.300 nan 0.000 0.593 223 S N 0.681 116.556 115.700 0.292 0.000 2.600 223 S HA 0.082 4.552 4.470 -0.000 0.000 0.265 223 S C 0.980 175.657 174.600 0.128 0.000 1.325 223 S CA -0.544 57.750 58.200 0.157 0.000 1.002 223 S CB 1.231 64.499 63.200 0.112 0.000 0.921 223 S HN 0.686 nan 8.310 nan 0.000 0.554 224 T N 1.984 116.584 114.554 0.076 0.000 2.720 224 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 224 T C 1.897 176.615 174.700 0.031 0.000 1.037 224 T CA 2.156 64.284 62.100 0.047 0.000 1.144 224 T CB -0.970 67.915 68.868 0.029 0.000 0.864 224 T HN 0.807 nan 8.240 nan 0.000 0.444 225 T N 2.093 116.662 114.554 0.025 0.000 2.652 225 T HA -0.106 4.243 4.350 -0.000 0.000 0.267 225 T C 2.405 177.079 174.700 -0.044 0.000 1.039 225 T CA 1.335 63.434 62.100 -0.002 0.000 1.153 225 T CB -0.712 68.156 68.868 -0.000 0.000 0.863 225 T HN 0.458 nan 8.240 nan 0.000 0.428 226 A N 1.158 123.952 122.820 -0.044 0.000 1.892 226 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 226 A C 2.332 179.782 177.584 -0.223 0.000 1.188 226 A CA 1.616 53.537 52.037 -0.193 0.000 0.631 226 A CB -0.942 18.027 19.000 -0.051 0.000 0.822 226 A HN 0.541 nan 8.150 nan 0.000 0.447 227 I N -0.110 120.451 120.570 -0.015 0.000 2.179 227 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 227 I C 2.187 178.354 176.117 0.084 0.000 1.088 227 I CA 1.353 62.696 61.300 0.071 0.000 1.357 227 I CB -0.493 37.546 38.000 0.066 0.000 1.051 227 I HN 0.314 nan 8.210 nan 0.000 0.409 228 N N 1.015 119.740 118.700 0.041 0.000 2.120 228 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 228 N C 1.580 177.131 175.510 0.068 0.000 1.024 228 N CA 1.170 54.265 53.050 0.075 0.000 0.852 228 N CB -0.594 37.917 38.487 0.040 0.000 1.003 228 N HN 0.342 nan 8.380 nan 0.000 0.424 229 N N 0.430 119.102 118.700 -0.046 0.000 2.104 229 N HA -0.136 4.603 4.740 -0.000 0.000 0.190 229 N C 1.621 177.082 175.510 -0.082 0.000 1.024 229 N CA 0.895 53.876 53.050 -0.114 0.000 0.853 229 N CB -0.587 37.751 38.487 -0.248 0.000 1.008 229 N HN 0.329 nan 8.380 nan 0.000 0.424 230 Y N -0.036 120.254 120.300 -0.016 0.000 2.181 230 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 230 Y C 2.363 178.270 175.900 0.010 0.000 1.146 230 Y CA 0.785 58.878 58.100 -0.012 0.000 1.164 230 Y CB -1.009 37.434 38.460 -0.028 0.000 0.982 230 Y HN 0.173 nan 8.280 nan 0.000 0.515 231 Y N 0.943 121.305 120.300 0.103 0.000 2.200 231 Y HA -0.244 4.306 4.550 -0.000 0.000 0.290 231 Y C 2.101 178.014 175.900 0.022 0.000 1.137 231 Y CA 1.645 59.774 58.100 0.047 0.000 1.163 231 Y CB -0.305 38.174 38.460 0.031 0.000 0.988 231 Y HN 0.055 nan 8.280 nan 0.000 0.518 232 N N 0.332 119.027 118.700 -0.008 0.000 2.188 232 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 232 N C 1.909 177.337 175.510 -0.137 0.000 1.018 232 N CA 1.301 54.296 53.050 -0.091 0.000 0.858 232 N CB -0.431 38.056 38.487 0.000 0.000 0.989 232 N HN 0.372 nan 8.380 nan 0.000 0.426 233 R N 1.149 121.592 120.500 -0.095 0.000 2.075 233 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 233 R C 2.188 178.371 176.300 -0.195 0.000 1.126 233 R CA 1.070 57.103 56.100 -0.112 0.000 0.963 233 R CB -0.058 30.213 30.300 -0.047 0.000 0.858 233 R HN 0.275 nan 8.270 nan 0.000 0.435 234 Q N -0.397 119.278 119.800 -0.208 0.000 2.096 234 Q HA -0.201 4.138 4.340 -0.000 0.000 0.204 234 Q C 1.754 177.569 176.000 -0.308 0.000 0.982 234 Q CA 1.535 57.179 55.803 -0.264 0.000 0.850 234 Q CB 0.083 28.704 28.738 -0.196 0.000 0.901 234 Q HN 0.294 nan 8.270 nan 0.000 0.422 235 M N -0.121 119.262 119.600 -0.362 0.000 2.132 235 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 235 M C 2.393 178.576 176.300 -0.194 0.000 1.065 235 M CA 1.436 56.572 55.300 -0.274 0.000 1.122 235 M CB -1.321 31.109 32.600 -0.283 0.000 1.365 235 M HN 0.180 nan 8.290 nan 0.000 0.411 236 S N 0.176 115.764 115.700 -0.188 0.000 2.399 236 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 236 S C 1.933 176.389 174.600 -0.241 0.000 1.022 236 S CA 0.861 58.969 58.200 -0.153 0.000 0.983 236 S CB -0.002 63.127 63.200 -0.120 0.000 0.803 236 S HN 0.473 nan 8.310 nan 0.000 0.480 237 L N 0.444 121.448 121.223 -0.365 0.000 2.209 237 L HA 0.140 4.480 4.340 -0.000 0.000 0.207 237 L C 2.294 178.780 176.870 -0.641 0.000 1.094 237 L CA 0.531 54.974 54.840 -0.661 0.000 0.790 237 L CB -0.418 41.157 42.059 -0.806 0.000 0.932 237 L HN 0.316 nan 8.230 nan 0.000 0.447 238 I N 0.420 120.734 120.570 -0.427 0.000 2.118 238 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 238 I C 2.847 178.704 176.117 -0.434 0.000 1.070 238 I CA 1.538 62.616 61.300 -0.371 0.000 1.327 238 I CB -0.501 37.283 38.000 -0.360 0.000 1.034 238 I HN 0.228 nan 8.210 nan 0.000 0.405 239 A N 0.108 122.669 122.820 -0.431 0.000 1.865 239 A HA -0.327 3.993 4.320 -0.000 0.000 0.217 239 A C 2.335 179.924 177.584 0.008 0.000 1.191 239 A CA 2.246 54.155 52.037 -0.213 0.000 0.623 239 A CB -0.935 18.096 19.000 0.052 0.000 0.826 239 A HN 0.576 nan 8.150 nan 0.000 0.444 240 Q N -1.437 118.342 119.800 -0.035 0.000 2.050 240 Q HA -0.205 4.134 4.340 -0.000 0.000 0.202 240 Q C 1.993 178.181 176.000 0.313 0.000 0.980 240 Q CA 1.945 57.803 55.803 0.092 0.000 0.840 240 Q CB -0.358 28.368 28.738 -0.020 0.000 0.898 240 Q HN 0.824 nan 8.270 nan 0.000 0.424 241 Y N 0.203 120.635 120.300 0.220 0.000 2.242 241 Y HA -0.170 4.379 4.550 -0.000 0.000 0.291 241 Y C 2.783 178.962 175.900 0.466 0.000 1.137 241 Y CA 0.475 58.807 58.100 0.386 0.000 1.181 241 Y CB 0.110 38.678 38.460 0.180 0.000 0.989 241 Y HN 0.208 nan 8.280 nan 0.000 0.527 242 S N 0.076 116.067 115.700 0.484 0.000 2.356 242 S HA -0.189 4.281 4.470 -0.000 0.000 0.223 242 S C 1.377 176.213 174.600 0.394 0.000 1.032 242 S CA 1.529 59.969 58.200 0.401 0.000 1.005 242 S CB -0.343 63.050 63.200 0.322 0.000 0.867 242 S HN 0.443 nan 8.310 nan 0.000 0.449 243 D N 0.278 120.944 120.400 0.444 0.000 2.117 243 D HA -0.100 4.539 4.640 -0.000 0.000 0.197 243 D C 1.780 178.270 176.300 0.316 0.000 0.987 243 D CA 1.239 55.489 54.000 0.418 0.000 0.829 243 D CB -0.532 40.486 40.800 0.363 0.000 0.961 243 D HN 0.544 nan 8.370 nan 0.000 0.460 244 H N -0.069 119.178 119.070 0.296 0.000 2.319 244 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 244 H C 2.138 177.617 175.328 0.251 0.000 1.092 244 H CA 2.126 58.342 56.048 0.281 0.000 1.302 244 H CB -0.310 29.576 29.762 0.207 0.000 1.373 244 H HN 0.076 nan 8.280 nan 0.000 0.497 245 C N -0.511 118.972 119.300 0.304 0.000 2.388 245 C HA -0.169 4.291 4.460 -0.000 0.000 0.277 245 C C 2.955 177.986 174.990 0.069 0.000 1.210 245 C CA 1.166 60.298 59.018 0.190 0.000 1.743 245 C CB -0.989 26.864 27.740 0.188 0.000 2.047 245 C HN 0.513 nan 8.230 nan 0.000 0.458 246 V N 0.624 120.513 119.914 -0.043 0.000 2.295 246 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 246 V C 2.498 178.590 176.094 -0.003 0.000 1.049 246 V CA 2.346 64.557 62.300 -0.149 0.000 1.024 246 V CB -1.011 30.479 31.823 -0.556 0.000 0.648 246 V HN 0.653 nan 8.190 nan 0.000 0.447 247 Q N -1.004 118.764 119.800 -0.052 0.000 2.014 247 Q HA -0.279 4.060 4.340 -0.000 0.000 0.207 247 Q C 2.101 177.891 176.000 -0.350 0.000 0.993 247 Q CA 2.731 58.400 55.803 -0.225 0.000 0.850 247 Q CB -0.275 28.240 28.738 -0.372 0.000 0.916 247 Q HN 0.744 nan 8.270 nan 0.000 0.417 248 W N -0.600 120.621 121.300 -0.131 0.000 2.467 248 W HA -0.107 4.553 4.660 -0.000 0.000 0.275 248 W C 2.078 178.604 176.519 0.012 0.000 1.239 248 W CA 0.593 57.862 57.345 -0.126 0.000 1.266 248 W CB -0.357 28.929 29.460 -0.290 0.000 1.112 248 W HN 0.363 nan 8.180 nan 0.000 0.576 249 Y N 1.542 121.911 120.300 0.115 0.000 2.128 249 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 249 Y C 2.426 178.379 175.900 0.089 0.000 1.154 249 Y CA 2.008 60.184 58.100 0.126 0.000 1.149 249 Y CB -0.431 37.995 38.460 -0.057 0.000 0.976 249 Y HN -0.194 nan 8.280 nan 0.000 0.505 250 R N -0.610 119.943 120.500 0.089 0.000 2.070 250 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 250 R C 2.225 178.450 176.300 -0.125 0.000 1.137 250 R CA 2.130 58.236 56.100 0.009 0.000 0.945 250 R CB -0.858 29.517 30.300 0.125 0.000 0.845 250 R HN 0.300 nan 8.270 nan 0.000 0.430 251 T N 0.096 114.561 114.554 -0.148 0.000 2.652 251 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 251 T C 1.953 176.554 174.700 -0.165 0.000 1.039 251 T CA 1.574 63.580 62.100 -0.156 0.000 1.153 251 T CB -0.757 67.982 68.868 -0.215 0.000 0.863 251 T HN 0.563 nan 8.240 nan 0.000 0.428 252 G N 1.337 110.044 108.800 -0.155 0.000 2.476 252 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 252 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 252 G C 1.528 175.815 174.900 -1.021 0.000 1.164 252 G CA 1.026 45.854 45.100 -0.453 0.000 0.768 252 G HN 0.420 nan 8.290 nan 0.000 0.560 253 L N 0.784 121.414 121.223 -0.989 0.000 2.072 253 L HA 0.067 4.406 4.340 -0.000 0.000 0.205 253 L C 2.289 178.943 176.870 -0.361 0.000 1.079 253 L CA 2.518 56.814 54.840 -0.907 0.000 0.752 253 L CB -0.576 41.050 42.059 -0.722 0.000 0.906 253 L HN 0.317 nan 8.230 nan 0.000 0.436 254 D N -0.739 119.540 120.400 -0.203 0.000 2.144 254 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 254 D C 2.173 178.422 176.300 -0.085 0.000 0.984 254 D CA 1.225 55.196 54.000 -0.048 0.000 0.834 254 D CB -0.010 40.756 40.800 -0.058 0.000 0.955 254 D HN 0.262 nan 8.370 nan 0.000 0.465 255 R N -0.550 119.858 120.500 -0.153 0.000 2.241 255 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 255 R C 1.734 177.957 176.300 -0.127 0.000 1.101 255 R CA 0.527 56.546 56.100 -0.135 0.000 0.995 255 R CB -0.085 30.132 30.300 -0.138 0.000 0.870 255 R HN 0.349 nan 8.270 nan 0.000 0.463 256 L N 0.168 121.319 121.223 -0.120 0.000 2.585 256 L HA 0.091 4.431 4.340 -0.000 0.000 0.226 256 L C 0.704 177.614 176.870 0.065 0.000 1.113 256 L CA -0.037 54.791 54.840 -0.020 0.000 0.876 256 L CB 0.092 42.113 42.059 -0.064 0.000 1.072 256 L HN -0.012 nan 8.230 nan 0.000 0.468 257 K N 1.106 121.475 120.400 -0.052 0.000 2.447 257 K HA 0.238 4.558 4.320 -0.000 0.000 0.281 257 K C 0.303 176.513 176.600 -0.651 0.000 1.031 257 K CA 0.209 56.157 56.287 -0.566 0.000 1.019 257 K CB 0.671 32.894 32.500 -0.461 0.000 0.918 257 K HN 0.113 nan 8.250 nan 0.000 0.476 258 G N 0.647 108.812 108.800 -1.058 0.000 3.247 258 G HA2 0.219 4.179 3.960 -0.000 0.000 0.226 258 G HA3 0.219 4.179 3.960 -0.000 0.000 0.226 258 G C 0.028 174.645 174.900 -0.471 0.000 1.220 258 G CA -0.072 44.723 45.100 -0.508 0.000 0.875 258 G HN 0.590 nan 8.290 nan 0.000 0.606 259 S N -1.402 114.226 115.700 -0.120 0.000 2.593 259 S HA 0.167 4.637 4.470 -0.000 0.000 0.235 259 S C 0.490 175.156 174.600 0.110 0.000 1.059 259 S CA 0.396 58.592 58.200 -0.007 0.000 0.953 259 S CB -0.116 63.058 63.200 -0.044 0.000 0.897 259 S HN 0.782 nan 8.310 nan 0.000 0.507 260 N N 1.146 119.914 118.700 0.112 0.000 2.525 260 N HA 0.735 5.475 4.740 -0.000 0.000 0.288 260 N C 0.872 176.439 175.510 0.096 0.000 1.242 260 N CA -0.350 52.739 53.050 0.066 0.000 0.905 260 N CB 0.668 39.142 38.487 -0.021 0.000 1.258 260 N HN 0.037 nan 8.380 nan 0.000 0.551 261 A N -0.343 122.465 122.820 -0.020 0.000 1.969 261 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 261 A C 1.950 179.445 177.584 -0.148 0.000 1.169 261 A CA 1.359 53.375 52.037 -0.035 0.000 0.635 261 A CB -0.762 18.164 19.000 -0.124 0.000 0.810 261 A HN 0.795 nan 8.150 nan 0.000 0.445 262 K N -0.311 119.812 120.400 -0.463 0.000 2.025 262 K HA -0.192 4.127 4.320 -0.000 0.000 0.207 262 K C 2.173 178.617 176.600 -0.260 0.000 1.049 262 K CA 1.629 57.424 56.287 -0.821 0.000 0.933 262 K CB -0.241 31.655 32.500 -1.006 0.000 0.714 262 K HN 0.589 nan 8.250 nan 0.000 0.438 263 Q N -0.628 119.133 119.800 -0.065 0.000 2.096 263 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 263 Q C 1.771 177.950 176.000 0.297 0.000 0.982 263 Q CA 2.004 57.877 55.803 0.116 0.000 0.850 263 Q CB -0.267 28.562 28.738 0.151 0.000 0.901 263 Q HN 0.483 nan 8.270 nan 0.000 0.422 264 W N 0.484 121.866 121.300 0.136 0.000 2.335 264 W HA -0.242 4.418 4.660 -0.000 0.000 0.311 264 W C 1.899 178.477 176.519 0.098 0.000 1.213 264 W CA 1.492 58.782 57.345 -0.093 0.000 1.274 264 W CB -0.207 29.006 29.460 -0.412 0.000 1.148 264 W HN -0.139 nan 8.180 nan 0.000 0.498 265 V N 0.973 121.083 119.914 0.327 0.000 2.324 265 V HA -0.363 3.757 4.120 -0.000 0.000 0.250 265 V C 2.048 178.152 176.094 0.018 0.000 1.060 265 V CA 2.487 64.917 62.300 0.218 0.000 1.042 265 V CB -1.043 30.962 31.823 0.304 0.000 0.650 265 V HN 0.264 nan 8.190 nan 0.000 0.450 266 E N -1.045 119.176 120.200 0.035 0.000 2.072 266 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 266 E C 2.114 178.742 176.600 0.047 0.000 0.985 266 E CA 1.677 58.103 56.400 0.043 0.000 0.801 266 E CB -0.303 29.425 29.700 0.046 0.000 0.750 266 E HN 0.767 nan 8.360 nan 0.000 0.452 267 Y N 1.992 122.227 120.300 -0.109 0.000 2.145 267 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 267 Y C 2.134 177.904 175.900 -0.216 0.000 1.145 267 Y CA 1.973 60.000 58.100 -0.121 0.000 1.148 267 Y CB -0.241 38.226 38.460 0.012 0.000 0.981 267 Y HN -0.036 nan 8.280 nan 0.000 0.507 268 N N 0.278 118.752 118.700 -0.376 0.000 2.244 268 N HA -0.194 4.546 4.740 -0.000 0.000 0.183 268 N C 2.044 177.437 175.510 -0.194 0.000 1.016 268 N CA 1.225 53.996 53.050 -0.466 0.000 0.866 268 N CB -0.312 37.560 38.487 -1.026 0.000 0.980 268 N HN 0.375 nan 8.380 nan 0.000 0.430 269 R N -1.054 119.379 120.500 -0.113 0.000 2.075 269 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 269 R C 1.979 178.275 176.300 -0.006 0.000 1.126 269 R CA 1.298 57.380 56.100 -0.029 0.000 0.963 269 R CB -0.418 29.887 30.300 0.008 0.000 0.858 269 R HN 0.349 nan 8.270 nan 0.000 0.435 270 F N 1.129 120.991 119.950 -0.148 0.000 2.113 270 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 270 F C 2.563 178.272 175.800 -0.151 0.000 1.103 270 F CA 1.733 59.641 58.000 -0.152 0.000 1.248 270 F CB -0.227 38.644 39.000 -0.216 0.000 0.999 270 F HN -0.087 nan 8.300 nan 0.000 0.475 271 R N 0.603 121.146 120.500 0.072 0.000 2.115 271 R HA -0.276 4.063 4.340 -0.000 0.000 0.239 271 R C 2.619 178.974 176.300 0.092 0.000 1.133 271 R CA 2.302 58.447 56.100 0.075 0.000 0.935 271 R CB -0.590 29.685 30.300 -0.041 0.000 0.853 271 R HN 0.342 nan 8.270 nan 0.000 0.433 272 R N 0.383 120.902 120.500 0.031 0.000 2.070 272 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 272 R C 2.034 178.313 176.300 -0.035 0.000 1.137 272 R CA 2.077 58.193 56.100 0.027 0.000 0.945 272 R CB -0.223 30.089 30.300 0.020 0.000 0.845 272 R HN 0.415 nan 8.270 nan 0.000 0.430 273 E N -0.245 119.903 120.200 -0.088 0.000 2.077 273 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 273 E C 1.967 178.479 176.600 -0.147 0.000 0.989 273 E CA 1.268 57.596 56.400 -0.119 0.000 0.800 273 E CB 0.023 29.642 29.700 -0.135 0.000 0.746 273 E HN 0.363 nan 8.360 nan 0.000 0.452 274 M N 0.079 119.541 119.600 -0.231 0.000 2.447 274 M HA -0.016 4.463 4.480 -0.000 0.000 0.264 274 M C 2.126 178.380 176.300 -0.076 0.000 1.095 274 M CA 1.005 56.189 55.300 -0.195 0.000 1.125 274 M CB -0.876 31.463 32.600 -0.435 0.000 1.389 274 M HN 0.001 nan 8.290 nan 0.000 0.459 275 T N 1.798 116.323 114.554 -0.047 0.000 2.708 275 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 275 T C 2.077 176.712 174.700 -0.107 0.000 1.037 275 T CA 1.221 63.230 62.100 -0.151 0.000 1.146 275 T CB -0.343 68.493 68.868 -0.053 0.000 0.865 275 T HN 0.303 nan 8.240 nan 0.000 0.435 276 L N 0.784 121.978 121.223 -0.048 0.000 2.017 276 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 276 L C 2.647 179.495 176.870 -0.036 0.000 1.073 276 L CA 1.164 55.995 54.840 -0.014 0.000 0.745 276 L CB -0.459 41.598 42.059 -0.004 0.000 0.894 276 L HN 0.209 nan 8.230 nan 0.000 0.432 277 S N -1.819 113.849 115.700 -0.053 0.000 2.524 277 S HA 0.079 4.549 4.470 -0.000 0.000 0.216 277 S C 1.420 175.970 174.600 -0.083 0.000 0.987 277 S CA 0.191 58.367 58.200 -0.040 0.000 0.909 277 S CB 0.694 63.890 63.200 -0.006 0.000 0.781 277 S HN 0.148 nan 8.310 nan 0.000 0.521 278 V N 0.238 120.088 119.914 -0.107 0.000 3.658 278 V HA 0.194 4.313 4.120 -0.000 0.000 0.197 278 V C 1.716 177.695 176.094 -0.193 0.000 1.295 278 V CA 0.003 62.241 62.300 -0.104 0.000 1.298 278 V CB -0.605 31.198 31.823 -0.034 0.000 1.347 278 V HN 0.236 nan 8.190 nan 0.000 0.548 279 L N 0.684 121.745 121.223 -0.270 0.000 2.012 279 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 279 L C 2.270 178.956 176.870 -0.306 0.000 1.073 279 L CA 1.992 56.620 54.840 -0.352 0.000 0.748 279 L CB -0.737 41.028 42.059 -0.491 0.000 0.891 279 L HN 0.411 nan 8.230 nan 0.000 0.431 280 D N 0.010 120.266 120.400 -0.241 0.000 2.117 280 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 280 D C 2.012 178.154 176.300 -0.264 0.000 0.987 280 D CA 1.168 55.032 54.000 -0.227 0.000 0.829 280 D CB -0.078 40.626 40.800 -0.160 0.000 0.961 280 D HN 0.203 nan 8.370 nan 0.000 0.460 281 I N 0.653 121.069 120.570 -0.257 0.000 2.353 281 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 281 I C 1.989 177.692 176.117 -0.689 0.000 1.119 281 I CA 0.808 61.940 61.300 -0.281 0.000 1.417 281 I CB -0.270 37.661 38.000 -0.114 0.000 1.078 281 I HN -0.054 nan 8.210 nan 0.000 0.421 282 M N -0.184 118.888 119.600 -0.881 0.000 2.159 282 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 282 M C 1.986 177.740 176.300 -0.910 0.000 1.063 282 M CA 2.082 56.506 55.300 -1.459 0.000 1.110 282 M CB -0.976 31.212 32.600 -0.687 0.000 1.374 282 M HN 0.238 nan 8.290 nan 0.000 0.411 283 T N 1.868 116.115 114.554 -0.512 0.000 2.778 283 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 283 T C 1.758 176.275 174.700 -0.306 0.000 1.050 283 T CA 1.380 63.289 62.100 -0.318 0.000 1.137 283 T CB -0.335 68.380 68.868 -0.256 0.000 0.860 283 T HN 0.476 nan 8.240 nan 0.000 0.468 284 L N -0.521 120.471 121.223 -0.385 0.000 2.509 284 L HA 0.227 4.567 4.340 -0.000 0.000 0.222 284 L C 1.991 178.547 176.870 -0.524 0.000 1.123 284 L CA 0.277 54.903 54.840 -0.357 0.000 0.856 284 L CB -0.590 41.322 42.059 -0.244 0.000 0.985 284 L HN 0.278 nan 8.230 nan 0.000 0.456 285 F N 1.284 120.891 119.950 -0.570 0.000 2.115 285 F HA -0.202 4.324 4.527 -0.000 0.000 0.300 285 F C -0.052 175.445 175.800 -0.504 0.000 1.092 285 F CA 0.802 58.403 58.000 -0.665 0.000 1.245 285 F CB -1.472 37.364 39.000 -0.273 0.000 0.995 285 F HN 0.210 nan 8.300 nan 0.000 0.481 286 P HA -0.159 nan 4.420 nan 0.000 0.220 286 P C 1.141 178.436 177.300 -0.008 0.000 1.148 286 P CA 1.299 64.445 63.100 0.076 0.000 0.803 286 P CB -0.096 31.731 31.700 0.211 0.000 0.782 287 M N -2.686 116.720 119.600 -0.325 0.000 2.618 287 M HA 0.035 4.515 4.480 -0.000 0.000 0.240 287 M C 1.074 177.399 176.300 0.042 0.000 1.123 287 M CA 0.857 55.874 55.300 -0.472 0.000 1.060 287 M CB -1.055 31.185 32.600 -0.600 0.000 1.535 287 M HN 0.040 nan 8.290 nan 0.000 0.507 288 Y N -1.394 118.933 120.300 0.045 0.000 2.490 288 Y HA 0.044 4.593 4.550 -0.000 0.000 0.281 288 Y C 0.844 176.813 175.900 0.116 0.000 1.174 288 Y CA -0.740 57.398 58.100 0.065 0.000 1.295 288 Y CB 0.104 38.584 38.460 0.032 0.000 1.062 288 Y HN 0.064 nan 8.280 nan 0.000 0.522 289 D N 0.991 121.593 120.400 0.336 0.000 2.344 289 D HA 0.017 4.657 4.640 -0.000 0.000 0.253 289 D C 0.853 177.377 176.300 0.373 0.000 1.255 289 D CA 0.153 54.376 54.000 0.370 0.000 0.894 289 D CB 0.830 41.866 40.800 0.393 0.000 1.067 289 D HN 0.089 nan 8.370 nan 0.000 0.492 290 M N 3.321 123.089 119.600 0.279 0.000 2.558 290 M HA 0.051 4.531 4.480 -0.000 0.000 0.255 290 M C 1.623 177.976 176.300 0.088 0.000 1.113 290 M CA 0.484 55.883 55.300 0.165 0.000 1.097 290 M CB -0.296 32.345 32.600 0.069 0.000 1.426 290 M HN 0.393 nan 8.290 nan 0.000 0.488 291 R N -0.573 119.974 120.500 0.079 0.000 2.075 291 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 291 R C 1.955 178.252 176.300 -0.005 0.000 1.114 291 R CA 1.525 57.608 56.100 -0.028 0.000 0.972 291 R CB -0.565 29.632 30.300 -0.172 0.000 0.869 291 R HN 0.286 nan 8.270 nan 0.000 0.437 292 T N -0.258 114.330 114.554 0.056 0.000 2.942 292 T HA -0.045 4.304 4.350 -0.000 0.000 0.265 292 T C 0.072 174.493 174.700 -0.465 0.000 1.062 292 T CA 1.059 63.057 62.100 -0.170 0.000 1.139 292 T CB -0.001 68.836 68.868 -0.052 0.000 0.883 292 T HN 0.173 nan 8.240 nan 0.000 0.468 293 Y N 1.368 121.714 120.300 0.077 0.000 2.837 293 Y HA 0.312 4.862 4.550 -0.000 0.000 0.356 293 Y C -2.015 173.912 175.900 0.046 0.000 1.035 293 Y CA -2.736 55.401 58.100 0.061 0.000 1.165 293 Y CB 1.188 39.702 38.460 0.090 0.000 1.147 293 Y HN 0.062 nan 8.280 nan 0.000 0.628 294 P HA -0.030 nan 4.420 nan 0.000 0.245 294 P C -0.019 177.315 177.300 0.056 0.000 1.212 294 P CA 0.827 63.957 63.100 0.050 0.000 0.774 294 P CB 0.343 32.043 31.700 0.001 0.000 0.999 295 M N -2.870 116.782 119.600 0.085 0.000 2.622 295 M HA 0.471 4.951 4.480 -0.000 0.000 0.276 295 M C -0.699 175.657 176.300 0.093 0.000 1.265 295 M CA -1.190 54.153 55.300 0.072 0.000 0.850 295 M CB 2.153 34.785 32.600 0.052 0.000 1.720 295 M HN -0.386 nan 8.290 nan 0.000 0.465 296 E N 1.320 121.557 120.200 0.062 0.000 2.900 296 E HA 0.023 4.372 4.350 -0.000 0.000 0.259 296 E C -1.171 175.463 176.600 0.057 0.000 0.918 296 E CA 0.977 57.403 56.400 0.042 0.000 0.960 296 E CB 0.523 30.226 29.700 0.006 0.000 0.908 296 E HN 0.607 nan 8.360 nan 0.000 0.511 297 T N 5.813 120.396 114.554 0.049 0.000 2.824 297 T HA 0.281 4.631 4.350 -0.000 0.000 0.282 297 T C -0.843 173.856 174.700 -0.001 0.000 0.993 297 T CA -1.003 61.135 62.100 0.064 0.000 0.967 297 T CB 1.188 70.109 68.868 0.087 0.000 0.960 297 T HN 0.229 nan 8.240 nan 0.000 0.441 298 K N 2.595 123.002 120.400 0.010 0.000 2.257 298 K HA 0.598 4.918 4.320 -0.000 0.000 0.270 298 K C -0.077 176.537 176.600 0.023 0.000 1.098 298 K CA -0.357 55.925 56.287 -0.007 0.000 0.943 298 K CB 0.823 33.333 32.500 0.015 0.000 1.316 298 K HN 0.725 nan 8.250 nan 0.000 0.447 299 A N 3.327 126.136 122.820 -0.017 0.000 2.316 299 A HA 0.424 4.744 4.320 -0.000 0.000 0.284 299 A C -0.320 177.239 177.584 -0.041 0.000 1.115 299 A CA -0.468 51.546 52.037 -0.038 0.000 0.812 299 A CB 0.619 19.565 19.000 -0.090 0.000 1.064 299 A HN 0.633 nan 8.150 nan 0.000 0.489 300 Q N 1.083 120.846 119.800 -0.060 0.000 2.337 300 Q HA 0.513 4.852 4.340 -0.000 0.000 0.270 300 Q C -1.558 174.368 176.000 -0.125 0.000 1.043 300 Q CA -0.450 55.305 55.803 -0.080 0.000 0.794 300 Q CB 2.299 30.977 28.738 -0.100 0.000 1.281 300 Q HN 0.662 nan 8.270 nan 0.000 0.446 301 L N 2.208 123.345 121.223 -0.143 0.000 2.262 301 L HA 0.313 4.653 4.340 -0.000 0.000 0.288 301 L C 1.122 177.961 176.870 -0.053 0.000 1.035 301 L CA -0.242 54.507 54.840 -0.152 0.000 0.820 301 L CB 0.993 42.868 42.059 -0.307 0.000 1.204 301 L HN 0.835 nan 8.230 nan 0.000 0.424 302 T N -1.701 112.822 114.554 -0.052 0.000 3.022 302 T HA 0.024 4.373 4.350 -0.000 0.000 0.250 302 T C 0.986 175.810 174.700 0.206 0.000 1.060 302 T CA -0.500 61.611 62.100 0.018 0.000 1.013 302 T CB 0.036 68.821 68.868 -0.139 0.000 0.982 302 T HN 0.501 nan 8.240 nan 0.000 0.508 303 R N 2.211 122.780 120.500 0.114 0.000 2.698 303 R HA 0.160 4.500 4.340 -0.000 0.000 0.266 303 R C -0.750 175.663 176.300 0.188 0.000 1.026 303 R CA 0.332 56.510 56.100 0.129 0.000 1.102 303 R CB -0.011 30.342 30.300 0.089 0.000 0.978 303 R HN 0.426 nan 8.270 nan 0.000 0.436 304 E N 1.444 121.743 120.200 0.165 0.000 2.249 304 E HA 0.276 4.626 4.350 -0.000 0.000 0.280 304 E C -0.342 176.344 176.600 0.144 0.000 1.016 304 E CA -0.845 55.623 56.400 0.114 0.000 0.830 304 E CB 1.682 31.394 29.700 0.019 0.000 1.081 304 E HN 0.555 nan 8.360 nan 0.000 0.395 305 V N 0.728 120.717 119.914 0.124 0.000 2.769 305 V HA 0.526 4.645 4.120 -0.000 0.000 0.312 305 V C -1.168 174.992 176.094 0.109 0.000 1.058 305 V CA -0.817 61.591 62.300 0.179 0.000 0.952 305 V CB 0.931 32.824 31.823 0.116 0.000 1.019 305 V HN 0.500 nan 8.190 nan 0.000 0.445 306 Y N 1.367 121.796 120.300 0.214 0.000 2.364 306 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 306 Y C 1.103 177.106 175.900 0.172 0.000 0.975 306 Y CA -0.405 57.847 58.100 0.254 0.000 1.089 306 Y CB 1.944 40.542 38.460 0.231 0.000 1.192 306 Y HN 0.984 nan 8.280 nan 0.000 0.454 307 T N -1.282 113.483 114.554 0.351 0.000 2.754 307 T HA 0.179 4.529 4.350 -0.000 0.000 0.286 307 T C -0.166 174.603 174.700 0.115 0.000 0.997 307 T CA -1.014 61.183 62.100 0.161 0.000 0.982 307 T CB 0.602 69.568 68.868 0.163 0.000 1.027 307 T HN 0.352 nan 8.240 nan 0.000 0.529 308 D N 2.213 122.641 120.400 0.047 0.000 2.423 308 D HA 0.263 4.903 4.640 -0.000 0.000 0.238 308 D C -2.182 174.090 176.300 -0.046 0.000 1.142 308 D CA -1.253 52.784 54.000 0.062 0.000 0.884 308 D CB -0.026 40.824 40.800 0.084 0.000 1.199 308 D HN 0.352 nan 8.370 nan 0.000 0.438 309 P HA 0.051 nan 4.420 nan 0.000 0.265 309 P C -0.106 176.941 177.300 -0.421 0.000 1.187 309 P CA 0.180 63.034 63.100 -0.409 0.000 0.766 309 P CB 0.365 31.778 31.700 -0.478 0.000 0.820 310 I N 2.381 122.603 120.570 -0.580 0.000 2.206 310 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 310 I C 0.999 176.837 176.117 -0.464 0.000 1.156 310 I CA 0.325 61.337 61.300 -0.480 0.000 1.356 310 I CB -0.342 37.303 38.000 -0.592 0.000 1.494 310 I HN 0.322 nan 8.210 nan 0.000 0.601 311 G N 3.038 111.580 108.800 -0.431 0.000 2.667 311 G HA2 0.711 4.671 3.960 -0.000 0.000 0.298 311 G HA3 0.711 4.671 3.960 -0.000 0.000 0.298 311 G C -0.893 174.060 174.900 0.088 0.000 1.377 311 G CA -0.667 44.220 45.100 -0.356 0.000 0.964 311 G HN 0.482 nan 8.290 nan 0.000 0.493 312 A N 0.582 123.516 122.820 0.190 0.000 2.425 312 A HA 0.712 5.032 4.320 -0.000 0.000 0.249 312 A C -0.192 177.487 177.584 0.160 0.000 1.084 312 A CA 0.052 52.208 52.037 0.197 0.000 0.781 312 A CB 0.166 19.315 19.000 0.248 0.000 1.019 312 A HN 0.646 nan 8.150 nan 0.000 0.490 313 I N 1.016 121.638 120.570 0.087 0.000 2.569 313 I HA 0.661 4.831 4.170 -0.000 0.000 0.290 313 I C 0.435 176.567 176.117 0.025 0.000 1.088 313 I CA 0.088 61.370 61.300 -0.031 0.000 1.047 313 I CB 2.526 40.528 38.000 0.002 0.000 1.237 313 I HN 0.989 nan 8.210 nan 0.000 0.421 314 G N 2.901 111.704 108.800 0.005 0.000 2.315 314 G HA2 0.411 4.371 3.960 -0.000 0.000 0.294 314 G HA3 0.411 4.371 3.960 -0.000 0.000 0.294 314 G C -0.001 174.928 174.900 0.048 0.000 1.300 314 G CA 0.014 45.142 45.100 0.046 0.000 0.843 314 G HN 0.649 nan 8.290 nan 0.000 0.527 315 A N -1.017 121.835 122.820 0.054 0.000 2.015 315 A HA 0.080 4.399 4.320 -0.000 0.000 0.219 315 A C 2.042 179.661 177.584 0.057 0.000 1.163 315 A CA 2.320 54.386 52.037 0.048 0.000 0.646 315 A CB -0.349 18.672 19.000 0.035 0.000 0.806 315 A HN 0.530 nan 8.150 nan 0.000 0.448 316 Q N -0.828 119.020 119.800 0.080 0.000 2.472 316 Q HA 0.371 4.711 4.340 -0.000 0.000 0.208 316 Q C 0.638 176.764 176.000 0.210 0.000 0.958 316 Q CA 0.758 56.627 55.803 0.109 0.000 0.932 316 Q CB 0.073 28.873 28.738 0.103 0.000 1.007 316 Q HN 0.748 nan 8.270 nan 0.000 0.508 317 G N -0.904 108.004 108.800 0.180 0.000 2.326 317 G HA2 0.225 4.185 3.960 -0.000 0.000 0.299 317 G HA3 0.225 4.185 3.960 -0.000 0.000 0.299 317 G C -0.976 174.011 174.900 0.146 0.000 1.643 317 G CA -0.862 44.362 45.100 0.207 0.000 0.916 317 G HN -0.044 nan 8.290 nan 0.000 0.700 318 S N 2.254 117.881 115.700 -0.121 0.000 2.537 318 S HA 0.589 5.059 4.470 -0.000 0.000 0.301 318 S C 1.303 175.390 174.600 -0.854 0.000 1.092 318 S CA -0.424 57.444 58.200 -0.554 0.000 1.048 318 S CB 1.229 63.747 63.200 -1.137 0.000 1.053 318 S HN 1.036 nan 8.310 nan 0.000 0.501 319 W N 2.279 122.946 121.300 -1.055 0.000 2.350 319 W HA -0.222 4.438 4.660 -0.000 0.000 0.289 319 W C 0.867 177.056 176.519 -0.549 0.000 1.215 319 W CA 1.233 57.878 57.345 -1.166 0.000 1.236 319 W CB -0.967 28.063 29.460 -0.717 0.000 1.130 319 W HN 0.900 nan 8.180 nan 0.000 0.541 320 Y N 0.837 120.458 120.300 -1.132 0.000 2.471 320 Y HA 0.251 4.800 4.550 -0.000 0.000 0.286 320 Y C 1.377 176.995 175.900 -0.471 0.000 1.188 320 Y CA -0.632 56.855 58.100 -1.021 0.000 1.286 320 Y CB -1.513 36.096 38.460 -1.419 0.000 1.072 320 Y HN -0.185 nan 8.280 nan 0.000 0.517 321 D N 0.473 120.778 120.400 -0.158 0.000 2.178 321 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 321 D C 0.281 176.571 176.300 -0.018 0.000 0.974 321 D CA 1.520 55.504 54.000 -0.026 0.000 0.841 321 D CB 0.142 40.920 40.800 -0.038 0.000 0.953 321 D HN 0.270 nan 8.370 nan 0.000 0.478 322 S N -0.597 115.082 115.700 -0.034 0.000 2.383 322 S HA 0.653 5.123 4.470 -0.000 0.000 0.196 322 S C -1.099 173.504 174.600 0.006 0.000 1.364 322 S CA -0.446 57.752 58.200 -0.003 0.000 1.212 322 S CB 0.075 63.287 63.200 0.020 0.000 1.171 322 S HN 0.207 nan 8.310 nan 0.000 0.456 323 A N 4.281 127.100 122.820 -0.002 0.000 2.593 323 A HA 0.945 5.265 4.320 -0.000 0.000 0.290 323 A C -2.989 174.585 177.584 -0.016 0.000 1.126 323 A CA -1.335 50.715 52.037 0.022 0.000 0.695 323 A CB 0.231 19.278 19.000 0.079 0.000 1.290 323 A HN 0.555 nan 8.150 nan 0.000 0.414 324 P HA 0.305 nan 4.420 nan 0.000 0.271 324 P C 0.362 177.620 177.300 -0.071 0.000 1.233 324 P CA -0.050 63.003 63.100 -0.079 0.000 0.789 324 P CB 0.327 31.938 31.700 -0.148 0.000 0.951 325 S N 0.324 115.993 115.700 -0.050 0.000 2.580 325 S HA -0.013 4.457 4.470 -0.000 0.000 0.266 325 S C 1.074 175.675 174.600 0.002 0.000 1.354 325 S CA -0.424 57.777 58.200 0.001 0.000 1.008 325 S CB -0.276 62.936 63.200 0.019 0.000 0.898 325 S HN 0.426 nan 8.310 nan 0.000 0.555 326 F N 2.252 122.175 119.950 -0.046 0.000 2.045 326 F HA -0.304 4.222 4.527 -0.000 0.000 0.297 326 F C 2.171 177.948 175.800 -0.039 0.000 1.114 326 F CA 2.628 60.635 58.000 0.012 0.000 1.207 326 F CB -0.579 38.430 39.000 0.014 0.000 0.964 326 F HN 0.605 nan 8.300 nan 0.000 0.486 327 N N -0.307 118.562 118.700 0.282 0.000 2.166 327 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 327 N C 1.751 177.242 175.510 -0.033 0.000 1.019 327 N CA 1.982 55.127 53.050 0.158 0.000 0.856 327 N CB -1.001 37.559 38.487 0.122 0.000 0.993 327 N HN 0.365 nan 8.380 nan 0.000 0.426 328 T N 2.043 116.540 114.554 -0.094 0.000 2.746 328 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 328 T C 2.124 176.613 174.700 -0.352 0.000 1.039 328 T CA 0.625 62.619 62.100 -0.176 0.000 1.142 328 T CB -0.200 68.572 68.868 -0.162 0.000 0.866 328 T HN 0.148 nan 8.240 nan 0.000 0.444 329 L N 0.606 121.502 121.223 -0.546 0.000 2.046 329 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 329 L C 2.834 179.190 176.870 -0.857 0.000 1.077 329 L CA 1.430 55.664 54.840 -1.009 0.000 0.747 329 L CB -0.569 40.641 42.059 -1.415 0.000 0.896 329 L HN 0.241 nan 8.230 nan 0.000 0.432 330 E N 0.603 120.471 120.200 -0.552 0.000 2.077 330 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 330 E C 2.211 178.806 176.600 -0.008 0.000 0.989 330 E CA 1.627 58.013 56.400 -0.024 0.000 0.800 330 E CB -0.054 29.740 29.700 0.157 0.000 0.746 330 E HN 0.394 nan 8.360 nan 0.000 0.452 331 S N -2.009 113.653 115.700 -0.063 0.000 2.527 331 S HA 0.016 4.486 4.470 -0.000 0.000 0.222 331 S C 1.529 176.111 174.600 -0.031 0.000 0.985 331 S CA 1.009 59.200 58.200 -0.015 0.000 0.921 331 S CB 0.024 63.221 63.200 -0.004 0.000 0.772 331 S HN 0.244 nan 8.310 nan 0.000 0.529 332 T N 0.177 114.654 114.554 -0.127 0.000 3.056 332 T HA 0.358 4.708 4.350 -0.000 0.000 0.241 332 T C 1.167 175.883 174.700 0.026 0.000 1.006 332 T CA 0.051 62.097 62.100 -0.090 0.000 1.115 332 T CB -0.424 68.294 68.868 -0.250 0.000 0.939 332 T HN 0.418 nan 8.240 nan 0.000 0.462 333 F N 1.030 120.875 119.950 -0.174 0.000 2.325 333 F HA 0.152 4.679 4.527 -0.000 0.000 0.299 333 F C 0.480 176.254 175.800 -0.044 0.000 1.090 333 F CA 0.141 58.050 58.000 -0.151 0.000 1.392 333 F CB 0.260 39.030 39.000 -0.384 0.000 1.053 333 F HN 0.052 nan 8.300 nan 0.000 0.521 334 I N 1.166 121.802 120.570 0.110 0.000 2.353 334 I HA 0.182 4.351 4.170 -0.000 0.000 0.293 334 I C 0.366 176.577 176.117 0.158 0.000 0.992 334 I CA -0.611 60.669 61.300 -0.033 0.000 1.268 334 I CB 1.037 39.009 38.000 -0.047 0.000 1.387 334 I HN -0.059 nan 8.210 nan 0.000 0.478 335 R N 3.201 123.860 120.500 0.265 0.000 2.491 335 R HA 0.241 4.581 4.340 -0.000 0.000 0.283 335 R C 0.577 176.989 176.300 0.187 0.000 1.072 335 R CA -0.220 55.994 56.100 0.191 0.000 1.048 335 R CB 0.655 30.988 30.300 0.057 0.000 0.983 335 R HN 0.869 nan 8.270 nan 0.000 0.450 336 G N 2.991 111.872 108.800 0.136 0.000 2.583 336 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.230 336 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.230 336 G C 0.013 175.028 174.900 0.191 0.000 1.249 336 G CA -0.336 44.839 45.100 0.125 0.000 0.857 336 G HN 0.396 nan 8.290 nan 0.000 0.569 337 K N 1.162 121.628 120.400 0.111 0.000 2.527 337 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 337 K C 0.288 176.931 176.600 0.071 0.000 0.981 337 K CA 0.675 56.985 56.287 0.039 0.000 1.009 337 K CB 0.431 32.915 32.500 -0.027 0.000 0.895 337 K HN 0.971 nan 8.250 nan 0.000 0.493 338 H N -1.547 117.511 119.070 -0.020 0.000 3.014 338 H HA 0.434 4.990 4.556 -0.000 0.000 0.337 338 H C -0.774 174.548 175.328 -0.010 0.000 1.320 338 H CA -1.011 55.017 56.048 -0.032 0.000 1.128 338 H CB 0.317 30.031 29.762 -0.081 0.000 1.862 338 H HN 0.274 nan 8.280 nan 0.000 0.536 339 L N 1.177 122.441 121.223 0.069 0.000 2.439 339 L HA 0.137 4.477 4.340 -0.000 0.000 0.269 339 L C 0.157 177.111 176.870 0.141 0.000 1.179 339 L CA -0.574 54.309 54.840 0.072 0.000 0.828 339 L CB 0.213 42.332 42.059 0.100 0.000 1.106 339 L HN 0.547 nan 8.230 nan 0.000 0.467 340 F N 3.247 123.184 119.950 -0.022 0.000 2.612 340 F HA 0.007 4.534 4.527 -0.000 0.000 0.389 340 F C 0.306 176.074 175.800 -0.054 0.000 1.055 340 F CA -0.156 57.816 58.000 -0.046 0.000 1.232 340 F CB 0.043 39.004 39.000 -0.066 0.000 1.044 340 F HN 0.558 nan 8.300 nan 0.000 0.560 341 D N 4.437 124.418 120.400 -0.699 0.000 2.559 341 D HA 0.461 5.101 4.640 -0.000 0.000 0.250 341 D C -1.633 174.158 176.300 -0.849 0.000 1.135 341 D CA -0.637 53.072 54.000 -0.484 0.000 0.955 341 D CB 0.845 41.557 40.800 -0.148 0.000 1.442 341 D HN 0.260 nan 8.370 nan 0.000 0.471 342 F N -0.140 119.723 119.950 -0.145 0.000 2.540 342 F HA 0.397 4.924 4.527 -0.000 0.000 0.317 342 F C 0.447 176.204 175.800 -0.071 0.000 1.104 342 F CA -1.302 56.628 58.000 -0.116 0.000 0.913 342 F CB 1.988 40.960 39.000 -0.047 0.000 1.170 342 F HN 0.303 nan 8.300 nan 0.000 0.450 343 I N 2.717 123.318 120.570 0.051 0.000 2.683 343 I HA -0.001 4.169 4.170 -0.000 0.000 0.286 343 I C 1.072 177.230 176.117 0.068 0.000 1.175 343 I CA 0.764 62.051 61.300 -0.022 0.000 1.429 343 I CB 0.853 38.694 38.000 -0.265 0.000 1.371 343 I HN 0.931 nan 8.210 nan 0.000 0.569 344 T N 4.346 118.948 114.554 0.080 0.000 2.964 344 T HA 0.305 4.655 4.350 -0.000 0.000 0.249 344 T C 0.631 175.383 174.700 0.085 0.000 1.000 344 T CA -0.366 61.796 62.100 0.103 0.000 0.992 344 T CB 0.204 69.118 68.868 0.077 0.000 1.087 344 T HN 0.646 nan 8.240 nan 0.000 0.489 345 R N -0.207 120.326 120.500 0.054 0.000 2.594 345 R HA 0.640 4.979 4.340 -0.000 0.000 0.265 345 R C -2.431 173.848 176.300 -0.035 0.000 1.070 345 R CA -0.792 55.291 56.100 -0.028 0.000 0.909 345 R CB 1.889 32.156 30.300 -0.056 0.000 1.243 345 R HN 0.246 nan 8.270 nan 0.000 0.455 346 L N 2.395 123.534 121.223 -0.139 0.000 2.410 346 L HA 0.546 4.886 4.340 -0.000 0.000 0.270 346 L C -1.217 175.486 176.870 -0.278 0.000 0.983 346 L CA -0.522 54.220 54.840 -0.164 0.000 0.822 346 L CB 2.470 44.441 42.059 -0.147 0.000 1.285 346 L HN 0.689 nan 8.230 nan 0.000 0.409 347 S N 5.208 120.773 115.700 -0.225 0.000 2.449 347 S HA 0.629 5.099 4.470 -0.000 0.000 0.310 347 S C -0.399 173.904 174.600 -0.495 0.000 1.096 347 S CA -0.447 57.532 58.200 -0.369 0.000 1.095 347 S CB 1.511 64.522 63.200 -0.315 0.000 1.007 347 S HN 0.399 nan 8.310 nan 0.000 0.474 348 I N 3.252 123.389 120.570 -0.722 0.000 2.404 348 I HA 0.382 4.552 4.170 -0.000 0.000 0.293 348 I C -1.220 174.448 176.117 -0.749 0.000 0.992 348 I CA -0.733 60.011 61.300 -0.927 0.000 1.149 348 I CB 1.056 38.203 38.000 -1.422 0.000 1.315 348 I HN 0.552 nan 8.210 nan 0.000 0.446 349 Y N 3.596 123.672 120.300 -0.374 0.000 2.330 349 Y HA 0.424 4.974 4.550 -0.000 0.000 0.336 349 Y C 0.460 176.323 175.900 -0.061 0.000 1.036 349 Y CA -0.562 57.445 58.100 -0.154 0.000 1.125 349 Y CB 1.785 40.183 38.460 -0.104 0.000 1.194 349 Y HN 0.402 nan 8.280 nan 0.000 0.469 350 T N 2.502 117.139 114.554 0.140 0.000 2.823 350 T HA 0.668 5.017 4.350 -0.000 0.000 0.279 350 T C 0.211 175.008 174.700 0.162 0.000 0.998 350 T CA -0.795 61.419 62.100 0.190 0.000 0.994 350 T CB 1.381 70.360 68.868 0.185 0.000 0.960 350 T HN 0.875 nan 8.240 nan 0.000 0.448 351 G N 1.204 110.111 108.800 0.178 0.000 2.511 351 G HA2 0.676 4.635 3.960 -0.000 0.000 0.318 351 G HA3 0.676 4.635 3.960 -0.000 0.000 0.318 351 G C -1.200 173.769 174.900 0.115 0.000 1.210 351 G CA -0.857 44.327 45.100 0.140 0.000 0.969 351 G HN 0.647 nan 8.290 nan 0.000 0.484 352 R N 0.457 121.002 120.500 0.074 0.000 2.393 352 R HA 0.543 4.883 4.340 -0.000 0.000 0.315 352 R C -0.823 175.487 176.300 0.017 0.000 0.952 352 R CA -0.326 55.798 56.100 0.040 0.000 0.842 352 R CB 1.143 31.439 30.300 -0.008 0.000 1.163 352 R HN 0.447 nan 8.270 nan 0.000 0.450 353 S N 1.866 117.539 115.700 -0.045 0.000 2.472 353 S HA 0.446 4.915 4.470 -0.000 0.000 0.303 353 S C -0.918 173.547 174.600 -0.225 0.000 1.099 353 S CA -0.722 57.341 58.200 -0.229 0.000 1.077 353 S CB 1.727 64.568 63.200 -0.597 0.000 1.031 353 S HN 0.713 nan 8.310 nan 0.000 0.487 354 S N 2.091 117.690 115.700 -0.167 0.000 2.548 354 S HA 0.836 5.306 4.470 -0.000 0.000 0.286 354 S C -1.293 173.337 174.600 0.049 0.000 1.098 354 S CA -0.768 57.414 58.200 -0.029 0.000 0.930 354 S CB 1.433 64.644 63.200 0.018 0.000 1.070 354 S HN 0.552 nan 8.310 nan 0.000 0.480 355 F N 2.261 122.159 119.950 -0.086 0.000 2.557 355 F HA 0.718 5.245 4.527 -0.000 0.000 0.316 355 F C 0.210 175.970 175.800 -0.067 0.000 1.141 355 F CA 0.316 58.266 58.000 -0.084 0.000 0.922 355 F CB 1.363 40.292 39.000 -0.118 0.000 1.194 355 F HN 1.137 nan 8.300 nan 0.000 0.443 356 S N 2.697 117.900 115.700 -0.829 0.000 3.460 356 S HA -0.180 4.289 4.470 -0.000 0.000 0.637 356 S C 0.972 175.418 174.600 -0.256 0.000 2.505 356 S CA 0.661 58.481 58.200 -0.635 0.000 2.686 356 S CB -1.135 61.529 63.200 -0.894 0.000 0.330 356 S HN 1.696 nan 8.310 nan 0.000 1.795 357 A N 0.068 122.787 122.820 -0.169 0.000 1.975 357 A HA 0.262 4.582 4.320 -0.000 0.000 0.215 357 A C 1.744 179.328 177.584 0.000 0.000 1.170 357 A CA 1.704 53.702 52.037 -0.066 0.000 0.656 357 A CB -0.333 18.637 19.000 -0.050 0.000 0.821 357 A HN 1.478 nan 8.150 nan 0.000 0.449 358 S N -1.019 114.682 115.700 0.001 0.000 2.701 358 S HA 0.250 4.720 4.470 -0.000 0.000 0.242 358 S C -0.231 174.396 174.600 0.046 0.000 1.025 358 S CA -0.612 57.627 58.200 0.066 0.000 1.016 358 S CB -0.095 63.118 63.200 0.023 0.000 0.977 358 S HN 0.333 nan 8.310 nan 0.000 0.546 359 N N 2.323 121.044 118.700 0.035 0.000 2.417 359 N HA 0.634 5.373 4.740 -0.000 0.000 0.274 359 N C -1.163 174.392 175.510 0.074 0.000 0.987 359 N CA -0.513 52.532 53.050 -0.009 0.000 0.912 359 N CB 1.074 39.605 38.487 0.073 0.000 1.177 359 N HN 0.524 nan 8.380 nan 0.000 0.490 360 Y N 0.096 120.373 120.300 -0.037 0.000 2.558 360 Y HA 0.643 5.193 4.550 -0.000 0.000 0.333 360 Y C -1.858 173.995 175.900 -0.078 0.000 1.125 360 Y CA -1.425 56.631 58.100 -0.073 0.000 1.039 360 Y CB 0.918 39.339 38.460 -0.065 0.000 1.331 360 Y HN 0.246 nan 8.280 nan 0.000 0.456 361 L N 3.515 124.772 121.223 0.056 0.000 2.319 361 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 361 L C -1.224 175.710 176.870 0.107 0.000 1.005 361 L CA -0.954 53.898 54.840 0.021 0.000 0.828 361 L CB 1.433 43.448 42.059 -0.074 0.000 1.227 361 L HN 0.712 nan 8.230 nan 0.000 0.415 362 K N 5.595 126.085 120.400 0.150 0.000 2.253 362 K HA 0.501 4.821 4.320 -0.000 0.000 0.277 362 K C -0.855 175.840 176.600 0.159 0.000 1.053 362 K CA -0.521 55.846 56.287 0.134 0.000 0.892 362 K CB 1.067 33.631 32.500 0.107 0.000 1.102 362 K HN 0.613 nan 8.250 nan 0.000 0.469 363 K N 0.616 121.153 120.400 0.228 0.000 2.480 363 K HA 0.322 4.642 4.320 -0.000 0.000 0.258 363 K C -1.056 175.826 176.600 0.470 0.000 0.990 363 K CA -1.061 55.433 56.287 0.344 0.000 0.857 363 K CB 1.160 33.825 32.500 0.275 0.000 1.384 363 K HN 0.342 nan 8.250 nan 0.000 0.446 364 W N 5.297 126.785 121.300 0.313 0.000 2.605 364 W HA 0.144 4.804 4.660 -0.000 0.000 0.327 364 W C 0.198 176.838 176.519 0.201 0.000 1.332 364 W CA -1.133 56.309 57.345 0.162 0.000 1.403 364 W CB -0.139 29.338 29.460 0.030 0.000 1.452 364 W HN 0.756 nan 8.180 nan 0.000 0.503 365 I N 4.025 124.864 120.570 0.447 0.000 4.057 365 I HA 0.545 4.715 4.170 -0.000 0.000 0.334 365 I C 0.657 176.886 176.117 0.187 0.000 1.308 365 I CA 0.114 61.663 61.300 0.415 0.000 1.125 365 I CB 0.039 38.223 38.000 0.305 0.000 1.034 365 I HN 0.297 nan 8.210 nan 0.000 0.401 366 G N 1.232 110.030 108.800 -0.002 0.000 2.387 366 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 366 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 366 G C -1.680 173.247 174.900 0.046 0.000 1.509 366 G CA -0.451 44.565 45.100 -0.141 0.000 0.806 366 G HN 0.511 nan 8.290 nan 0.000 0.546 367 H N -1.345 117.754 119.070 0.047 0.000 3.014 367 H HA 0.682 5.238 4.556 -0.000 0.000 0.337 367 H C -1.773 173.661 175.328 0.178 0.000 1.320 367 H CA -0.785 55.322 56.048 0.098 0.000 1.128 367 H CB 1.918 31.673 29.762 -0.012 0.000 1.862 367 H HN 0.612 nan 8.280 nan 0.000 0.536 368 Q N 1.732 121.684 119.800 0.253 0.000 2.330 368 Q HA 0.559 4.899 4.340 -0.000 0.000 0.269 368 Q C -1.415 174.669 176.000 0.141 0.000 1.022 368 Q CA -0.903 54.992 55.803 0.153 0.000 0.796 368 Q CB 2.307 31.153 28.738 0.180 0.000 1.271 368 Q HN 0.655 nan 8.270 nan 0.000 0.450 369 I N 1.760 122.403 120.570 0.123 0.000 2.545 369 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 369 I C -1.306 174.822 176.117 0.019 0.000 1.040 369 I CA -0.317 61.000 61.300 0.027 0.000 1.068 369 I CB 2.191 40.119 38.000 -0.119 0.000 1.251 369 I HN 0.506 nan 8.210 nan 0.000 0.424 370 S N 4.702 120.405 115.700 0.005 0.000 2.482 370 S HA 0.737 5.207 4.470 -0.000 0.000 0.303 370 S C -0.758 173.879 174.600 0.062 0.000 1.091 370 S CA -0.637 57.592 58.200 0.048 0.000 1.057 370 S CB 1.757 64.978 63.200 0.035 0.000 1.031 370 S HN 0.740 nan 8.310 nan 0.000 0.485 371 S N 2.113 117.883 115.700 0.115 0.000 2.697 371 S HA 0.755 5.225 4.470 -0.000 0.000 0.289 371 S C -1.431 173.229 174.600 0.100 0.000 1.149 371 S CA -0.884 57.386 58.200 0.116 0.000 0.850 371 S CB 1.873 65.171 63.200 0.164 0.000 1.151 371 S HN 0.665 nan 8.310 nan 0.000 0.491 372 Q N 0.471 120.335 119.800 0.107 0.000 2.280 372 Q HA 0.430 4.770 4.340 -0.000 0.000 0.259 372 Q C -3.093 173.000 176.000 0.156 0.000 0.964 372 Q CA -1.913 53.962 55.803 0.120 0.000 0.844 372 Q CB 2.323 31.135 28.738 0.125 0.000 1.334 372 Q HN 0.424 nan 8.270 nan 0.000 0.423 373 P HA 0.073 nan 4.420 nan 0.000 0.270 373 P C -0.386 177.052 177.300 0.230 0.000 1.223 373 P CA 0.055 63.261 63.100 0.176 0.000 0.785 373 P CB 0.537 32.319 31.700 0.137 0.000 0.923 374 I N 1.273 122.019 120.570 0.293 0.000 2.769 374 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 374 I C 1.559 177.759 176.117 0.138 0.000 1.173 374 I CA 1.059 62.505 61.300 0.244 0.000 1.389 374 I CB -1.248 36.911 38.000 0.266 0.000 1.404 374 I HN 0.706 nan 8.210 nan 0.000 0.544 375 G N 4.159 113.019 108.800 0.100 0.000 2.153 375 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.252 375 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.252 375 G C 0.403 175.345 174.900 0.069 0.000 0.994 375 G CA 0.046 45.185 45.100 0.066 0.000 0.698 375 G HN 0.960 nan 8.290 nan 0.000 0.521 376 G N -0.853 107.997 108.800 0.085 0.000 2.795 376 G HA2 0.676 4.635 3.960 -0.000 0.000 0.267 376 G HA3 0.676 4.635 3.960 -0.000 0.000 0.267 376 G C 0.267 175.206 174.900 0.065 0.000 1.362 376 G CA 0.379 45.524 45.100 0.074 0.000 1.048 376 G HN 0.738 nan 8.290 nan 0.000 0.547 377 S N -0.861 114.874 115.700 0.059 0.000 2.592 377 S HA 0.315 4.784 4.470 -0.000 0.000 0.271 377 S C 0.195 174.829 174.600 0.058 0.000 1.326 377 S CA -0.192 58.039 58.200 0.051 0.000 1.024 377 S CB 0.833 64.060 63.200 0.044 0.000 0.921 377 S HN 0.341 nan 8.310 nan 0.000 0.527 378 I N 2.431 123.032 120.570 0.052 0.000 2.371 378 I HA 0.219 4.388 4.170 -0.000 0.000 0.290 378 I C 0.541 176.690 176.117 0.054 0.000 1.028 378 I CA -0.150 61.184 61.300 0.057 0.000 1.345 378 I CB 0.608 38.637 38.000 0.050 0.000 1.407 378 I HN 0.564 nan 8.210 nan 0.000 0.501 379 Q N 5.613 125.452 119.800 0.065 0.000 2.266 379 Q HA 0.511 4.851 4.340 -0.000 0.000 0.261 379 Q C -1.370 174.678 176.000 0.080 0.000 0.985 379 Q CA -0.548 55.294 55.803 0.065 0.000 0.873 379 Q CB 2.047 30.824 28.738 0.065 0.000 1.306 379 Q HN 0.604 nan 8.270 nan 0.000 0.447 380 T N 3.937 118.530 114.554 0.065 0.000 2.841 380 T HA 0.379 4.729 4.350 -0.000 0.000 0.285 380 T C -1.042 173.691 174.700 0.055 0.000 0.991 380 T CA -0.721 61.417 62.100 0.064 0.000 0.966 380 T CB 1.439 70.329 68.868 0.036 0.000 0.962 380 T HN 0.504 nan 8.240 nan 0.000 0.438 381 Q N 1.373 121.224 119.800 0.085 0.000 2.416 381 Q HA 0.647 4.987 4.340 -0.000 0.000 0.279 381 Q C -0.634 175.342 176.000 -0.039 0.000 1.101 381 Q CA -0.875 54.936 55.803 0.013 0.000 0.830 381 Q CB 2.189 30.959 28.738 0.054 0.000 1.402 381 Q HN 0.482 nan 8.270 nan 0.000 0.445 382 T N 0.877 115.308 114.554 -0.204 0.000 2.863 382 T HA 0.681 5.030 4.350 -0.000 0.000 0.285 382 T C -1.433 172.999 174.700 -0.447 0.000 1.009 382 T CA -0.306 61.663 62.100 -0.218 0.000 0.989 382 T CB 0.540 69.302 68.868 -0.177 0.000 1.004 382 T HN 0.310 nan 8.240 nan 0.000 0.455 383 Y N 0.667 120.793 120.300 -0.289 0.000 2.492 383 Y HA 0.569 5.119 4.550 -0.000 0.000 0.346 383 Y C 0.821 176.636 175.900 -0.142 0.000 0.997 383 Y CA 0.083 58.061 58.100 -0.203 0.000 1.025 383 Y CB 2.171 40.430 38.460 -0.335 0.000 1.263 383 Y HN 1.033 nan 8.280 nan 0.000 0.454 384 G N 0.981 109.929 108.800 0.246 0.000 2.525 384 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 384 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 384 G C -0.673 174.282 174.900 0.091 0.000 1.238 384 G CA -0.362 44.912 45.100 0.290 0.000 0.926 384 G HN 0.622 nan 8.290 nan 0.000 0.574 385 T N 0.967 115.574 114.554 0.088 0.000 2.744 385 T HA 0.558 4.908 4.350 -0.000 0.000 0.291 385 T C 1.213 175.822 174.700 -0.152 0.000 0.957 385 T CA 0.844 62.943 62.100 -0.003 0.000 1.002 385 T CB 1.137 70.046 68.868 0.068 0.000 0.919 385 T HN 1.489 nan 8.240 nan 0.000 0.468 386 T N -0.966 113.394 114.554 -0.323 0.000 3.231 386 T HA 0.424 4.773 4.350 -0.000 0.000 0.292 386 T C 0.328 174.683 174.700 -0.574 0.000 1.001 386 T CA -0.369 61.240 62.100 -0.817 0.000 0.920 386 T CB -0.001 68.245 68.868 -1.037 0.000 1.140 386 T HN 0.610 nan 8.240 nan 0.000 0.525 387 S N -0.919 114.633 115.700 -0.247 0.000 2.588 387 S HA 0.840 5.310 4.470 -0.000 0.000 0.269 387 S C 0.063 174.632 174.600 -0.050 0.000 1.157 387 S CA -0.225 57.900 58.200 -0.125 0.000 0.824 387 S CB 1.353 64.486 63.200 -0.111 0.000 1.126 387 S HN 1.679 nan 8.310 nan 0.000 0.464 388 G N 1.034 109.823 108.800 -0.018 0.000 2.549 388 G HA2 0.069 4.029 3.960 -0.000 0.000 0.404 388 G HA3 0.069 4.029 3.960 -0.000 0.000 0.404 388 G C 0.621 175.531 174.900 0.017 0.000 1.292 388 G CA 0.493 45.592 45.100 -0.001 0.000 0.935 388 G HN 2.110 nan 8.290 nan 0.000 0.512 389 S N -1.054 114.659 115.700 0.021 0.000 2.447 389 S HA 0.012 4.481 4.470 -0.000 0.000 0.233 389 S C 2.238 176.862 174.600 0.039 0.000 1.006 389 S CA 2.167 60.383 58.200 0.027 0.000 0.957 389 S CB -0.094 63.122 63.200 0.025 0.000 0.773 389 S HN 1.190 nan 8.310 nan 0.000 0.507 390 S N 0.778 116.507 115.700 0.048 0.000 2.461 390 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 390 S C 0.569 175.216 174.600 0.078 0.000 1.005 390 S CA 0.218 58.458 58.200 0.068 0.000 0.942 390 S CB -0.190 63.060 63.200 0.084 0.000 0.776 390 S HN 0.415 nan 8.310 nan 0.000 0.514 391 V N 3.790 123.748 119.914 0.074 0.000 2.405 391 V HA 0.113 4.233 4.120 -0.000 0.000 0.264 391 V C 0.778 176.921 176.094 0.080 0.000 1.048 391 V CA -0.020 62.342 62.300 0.103 0.000 0.966 391 V CB 0.439 32.338 31.823 0.126 0.000 1.015 391 V HN 0.410 nan 8.190 nan 0.000 0.477 392 I N 2.381 122.994 120.570 0.073 0.000 4.070 392 I HA 0.728 4.897 4.170 -0.000 0.000 0.328 392 I C 0.753 176.886 176.117 0.027 0.000 1.298 392 I CA 0.343 61.666 61.300 0.039 0.000 1.173 392 I CB 0.081 38.092 38.000 0.019 0.000 1.051 392 I HN 0.463 nan 8.210 nan 0.000 0.409 393 A N 0.316 123.159 122.820 0.039 0.000 2.606 393 A HA 0.826 5.145 4.320 -0.000 0.000 0.293 393 A C -0.349 177.219 177.584 -0.026 0.000 1.082 393 A CA 0.109 52.148 52.037 0.004 0.000 0.685 393 A CB 0.756 19.751 19.000 -0.007 0.000 1.284 393 A HN 0.299 nan 8.150 nan 0.000 0.408 394 T N -1.190 113.300 114.554 -0.106 0.000 2.916 394 T HA 0.776 5.126 4.350 -0.000 0.000 0.292 394 T C -0.731 173.828 174.700 -0.235 0.000 1.055 394 T CA -0.577 61.346 62.100 -0.294 0.000 1.009 394 T CB 1.887 70.516 68.868 -0.398 0.000 1.118 394 T HN 0.929 nan 8.240 nan 0.000 0.497 395 Q N 0.804 120.414 119.800 -0.316 0.000 2.289 395 Q HA 0.357 4.697 4.340 -0.000 0.000 0.270 395 Q C -1.551 174.257 176.000 -0.320 0.000 1.038 395 Q CA -0.575 55.093 55.803 -0.225 0.000 0.812 395 Q CB 2.118 30.802 28.738 -0.089 0.000 1.300 395 Q HN 0.773 nan 8.270 nan 0.000 0.427 396 Q N 3.511 123.148 119.800 -0.271 0.000 2.271 396 Q HA 0.543 4.883 4.340 -0.000 0.000 0.258 396 Q C -0.750 175.037 176.000 -0.355 0.000 0.936 396 Q CA -0.319 55.306 55.803 -0.297 0.000 0.909 396 Q CB 1.933 30.539 28.738 -0.221 0.000 1.253 396 Q HN 0.545 nan 8.270 nan 0.000 0.440 397 I N 1.459 121.723 120.570 -0.511 0.000 2.410 397 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 397 I C 0.285 175.864 176.117 -0.896 0.000 1.009 397 I CA -0.795 59.997 61.300 -0.847 0.000 1.111 397 I CB 1.837 39.055 38.000 -1.303 0.000 1.262 397 I HN 0.632 nan 8.210 nan 0.000 0.443 398 G N 4.645 113.017 108.800 -0.713 0.000 2.349 398 G HA2 0.404 4.363 3.960 -0.000 0.000 0.281 398 G HA3 0.404 4.363 3.960 -0.000 0.000 0.281 398 G C -0.200 174.397 174.900 -0.505 0.000 1.182 398 G CA -0.030 44.815 45.100 -0.425 0.000 0.899 398 G HN 0.680 nan 8.290 nan 0.000 0.455 399 F N 0.751 120.598 119.950 -0.172 0.000 2.706 399 F HA 0.139 4.666 4.527 -0.000 0.000 0.313 399 F C 1.466 177.376 175.800 0.185 0.000 1.096 399 F CA -0.452 57.503 58.000 -0.076 0.000 1.219 399 F CB 0.827 39.676 39.000 -0.251 0.000 1.051 399 F HN 0.266 nan 8.300 nan 0.000 0.568 400 T N 0.832 115.560 114.554 0.290 0.000 2.822 400 T HA 0.207 4.557 4.350 -0.000 0.000 0.288 400 T C 1.219 176.002 174.700 0.138 0.000 0.991 400 T CA 1.298 63.506 62.100 0.179 0.000 1.176 400 T CB 0.309 69.246 68.868 0.116 0.000 0.951 400 T HN 0.646 nan 8.240 nan 0.000 0.526 401 G N 2.951 111.713 108.800 -0.063 0.000 2.212 401 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.266 401 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.266 401 G C 0.116 174.721 174.900 -0.491 0.000 0.978 401 G CA -0.296 44.546 45.100 -0.430 0.000 0.632 401 G HN 0.665 nan 8.290 nan 0.000 0.537 402 F N 1.746 121.714 119.950 0.029 0.000 2.420 402 F HA 0.426 4.953 4.527 -0.000 0.000 0.352 402 F C 0.216 176.078 175.800 0.103 0.000 1.108 402 F CA -0.738 57.367 58.000 0.176 0.000 1.162 402 F CB 1.051 40.298 39.000 0.412 0.000 1.118 402 F HN -0.120 nan 8.300 nan 0.000 0.510 403 D N 3.578 124.174 120.400 0.326 0.000 2.352 403 D HA 0.147 4.787 4.640 -0.000 0.000 0.245 403 D C -0.401 176.026 176.300 0.213 0.000 1.224 403 D CA 0.090 54.237 54.000 0.244 0.000 0.879 403 D CB 1.212 42.160 40.800 0.246 0.000 1.057 403 D HN 0.058 nan 8.370 nan 0.000 0.491 404 V N 5.086 125.052 119.914 0.087 0.000 2.387 404 V HA -0.041 4.079 4.120 -0.000 0.000 0.260 404 V C 0.790 176.920 176.094 0.059 0.000 1.054 404 V CA -0.147 62.150 62.300 -0.004 0.000 0.967 404 V CB -0.545 31.192 31.823 -0.143 0.000 1.036 404 V HN 0.486 nan 8.190 nan 0.000 0.481 405 Y N 2.917 123.215 120.300 -0.002 0.000 2.500 405 Y HA 0.477 5.027 4.550 -0.000 0.000 0.270 405 Y C 0.670 176.687 175.900 0.195 0.000 1.134 405 Y CA -0.542 57.546 58.100 -0.020 0.000 1.293 405 Y CB 0.170 38.312 38.460 -0.530 0.000 1.063 405 Y HN 0.472 nan 8.280 nan 0.000 0.534 406 K N 0.878 121.253 120.400 -0.043 0.000 2.557 406 K HA 0.421 4.741 4.320 -0.000 0.000 0.257 406 K C -1.463 175.207 176.600 0.116 0.000 0.933 406 K CA -0.430 55.911 56.287 0.090 0.000 0.820 406 K CB 1.736 34.258 32.500 0.036 0.000 1.330 406 K HN 0.182 nan 8.250 nan 0.000 0.432 407 T N 1.273 115.970 114.554 0.238 0.000 2.863 407 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 407 T C -1.034 173.723 174.700 0.095 0.000 1.009 407 T CA -0.971 61.222 62.100 0.156 0.000 0.989 407 T CB 1.269 70.360 68.868 0.373 0.000 1.004 407 T HN 0.396 nan 8.240 nan 0.000 0.455 408 L N 2.811 124.037 121.223 0.005 0.000 2.372 408 L HA 0.604 4.944 4.340 -0.000 0.000 0.273 408 L C -0.915 175.944 176.870 -0.019 0.000 0.989 408 L CA -0.320 54.522 54.840 0.003 0.000 0.841 408 L CB 1.428 43.488 42.059 0.002 0.000 1.225 408 L HN 0.956 nan 8.230 nan 0.000 0.414 409 S N 2.257 117.946 115.700 -0.018 0.000 2.532 409 S HA 0.602 5.072 4.470 -0.000 0.000 0.301 409 S C -0.217 174.373 174.600 -0.017 0.000 1.083 409 S CA -0.475 57.708 58.200 -0.028 0.000 1.025 409 S CB 1.995 65.131 63.200 -0.106 0.000 1.056 409 S HN 0.594 nan 8.310 nan 0.000 0.494 410 T N 2.626 117.188 114.554 0.014 0.000 2.801 410 T HA 0.519 4.869 4.350 -0.000 0.000 0.306 410 T C 0.005 174.716 174.700 0.018 0.000 1.020 410 T CA -0.389 61.722 62.100 0.017 0.000 0.948 410 T CB 0.703 69.588 68.868 0.028 0.000 0.962 410 T HN 0.718 nan 8.240 nan 0.000 0.465 411 A N 3.322 126.139 122.820 -0.004 0.000 2.350 411 A HA 0.654 4.974 4.320 -0.000 0.000 0.293 411 A C 0.872 178.477 177.584 0.035 0.000 1.231 411 A CA -0.548 51.490 52.037 0.002 0.000 0.883 411 A CB -0.020 18.966 19.000 -0.024 0.000 1.133 411 A HN 0.860 nan 8.150 nan 0.000 0.533 412 G N 0.668 109.493 108.800 0.040 0.000 2.410 412 G HA2 0.554 4.514 3.960 -0.000 0.000 0.330 412 G HA3 0.554 4.514 3.960 -0.000 0.000 0.330 412 G C -0.881 173.989 174.900 -0.049 0.000 1.142 412 G CA -0.430 44.670 45.100 0.001 0.000 0.902 412 G HN 0.863 nan 8.290 nan 0.000 0.491 413 V N 1.636 121.433 119.914 -0.195 0.000 2.577 413 V HA 0.386 4.506 4.120 -0.000 0.000 0.303 413 V C -0.702 175.047 176.094 -0.575 0.000 1.042 413 V CA -0.760 61.231 62.300 -0.515 0.000 0.872 413 V CB 1.556 32.883 31.823 -0.827 0.000 0.998 413 V HN 0.691 nan 8.190 nan 0.000 0.423 414 L N 5.466 126.396 121.223 -0.487 0.000 2.265 414 L HA 0.643 4.983 4.340 -0.000 0.000 0.289 414 L C -0.841 175.789 176.870 -0.401 0.000 1.033 414 L CA 0.215 54.845 54.840 -0.351 0.000 0.814 414 L CB 0.571 42.473 42.059 -0.263 0.000 1.203 414 L HN 0.484 nan 8.230 nan 0.000 0.423 415 F N 5.143 125.010 119.950 -0.139 0.000 2.421 415 F HA 0.637 5.164 4.527 -0.000 0.000 0.358 415 F C 0.816 176.296 175.800 -0.533 0.000 1.115 415 F CA -0.063 57.803 58.000 -0.224 0.000 1.160 415 F CB 0.795 39.698 39.000 -0.163 0.000 1.123 415 F HN 0.646 nan 8.300 nan 0.000 0.508 416 A N 3.333 125.871 122.820 -0.471 0.000 2.309 416 A HA 0.460 4.780 4.320 -0.000 0.000 0.317 416 A C 0.368 177.557 177.584 -0.658 0.000 1.134 416 A CA -0.692 50.630 52.037 -1.193 0.000 0.866 416 A CB 0.397 19.129 19.000 -0.446 0.000 1.329 416 A HN 0.805 nan 8.150 nan 0.000 0.477 417 Y N -0.110 119.927 120.300 -0.437 0.000 2.151 417 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 417 Y C 2.420 178.294 175.900 -0.043 0.000 1.166 417 Y CA 2.159 60.215 58.100 -0.073 0.000 1.163 417 Y CB 0.075 38.601 38.460 0.110 0.000 0.974 417 Y HN 0.714 nan 8.280 nan 0.000 0.511 418 T N -4.221 110.401 114.554 0.113 0.000 3.058 418 T HA 0.273 4.622 4.350 -0.000 0.000 0.278 418 T C 0.147 174.850 174.700 0.006 0.000 0.974 418 T CA 0.163 62.304 62.100 0.067 0.000 0.893 418 T CB 0.056 68.972 68.868 0.081 0.000 1.138 418 T HN 0.155 nan 8.240 nan 0.000 0.529 419 S N 0.227 115.899 115.700 -0.046 0.000 2.651 419 S HA 0.737 5.207 4.470 -0.000 0.000 0.279 419 S C -1.674 172.848 174.600 -0.129 0.000 1.148 419 S CA -1.130 57.007 58.200 -0.104 0.000 0.837 419 S CB 2.247 65.327 63.200 -0.200 0.000 1.138 419 S HN 0.262 nan 8.310 nan 0.000 0.478 420 K N 0.379 120.677 120.400 -0.171 0.000 2.259 420 K HA 0.542 4.862 4.320 -0.000 0.000 0.252 420 K C -1.837 174.562 176.600 -0.335 0.000 0.936 420 K CA -0.597 55.524 56.287 -0.276 0.000 0.810 420 K CB 1.481 33.755 32.500 -0.376 0.000 1.143 420 K HN 0.620 nan 8.250 nan 0.000 0.427 421 Y N 1.195 121.237 120.300 -0.430 0.000 2.328 421 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 421 Y C -0.629 175.033 175.900 -0.395 0.000 0.960 421 Y CA -0.848 57.095 58.100 -0.261 0.000 1.134 421 Y CB 0.852 39.234 38.460 -0.131 0.000 1.166 421 Y HN 0.420 nan 8.280 nan 0.000 0.464 422 Y N 1.144 121.501 120.300 0.096 0.000 2.387 422 Y HA 0.794 5.344 4.550 -0.000 0.000 0.330 422 Y C 0.748 176.689 175.900 0.067 0.000 1.133 422 Y CA -0.695 57.430 58.100 0.042 0.000 1.152 422 Y CB 2.140 40.629 38.460 0.048 0.000 1.215 422 Y HN 0.746 nan 8.280 nan 0.000 0.466 423 G N 0.010 108.924 108.800 0.189 0.000 2.377 423 G HA2 0.358 4.317 3.960 -0.000 0.000 0.297 423 G HA3 0.358 4.317 3.960 -0.000 0.000 0.297 423 G C -2.263 172.722 174.900 0.141 0.000 1.547 423 G CA -0.975 44.226 45.100 0.169 0.000 0.833 423 G HN 0.435 nan 8.290 nan 0.000 0.583 424 V N 1.584 121.603 119.914 0.175 0.000 2.455 424 V HA 0.381 4.501 4.120 -0.000 0.000 0.273 424 V C 1.499 177.789 176.094 0.326 0.000 1.045 424 V CA 0.687 63.098 62.300 0.186 0.000 0.976 424 V CB 1.160 33.061 31.823 0.129 0.000 0.993 424 V HN 1.151 nan 8.190 nan 0.000 0.475 425 S N 3.285 119.116 115.700 0.218 0.000 2.503 425 S HA 0.237 4.707 4.470 -0.000 0.000 0.215 425 S C 0.436 175.110 174.600 0.122 0.000 1.003 425 S CA -0.117 58.182 58.200 0.165 0.000 0.910 425 S CB 0.193 63.429 63.200 0.061 0.000 0.790 425 S HN 0.687 nan 8.310 nan 0.000 0.514 426 K N 0.353 120.880 120.400 0.211 0.000 2.570 426 K HA 0.522 4.841 4.320 -0.000 0.000 0.256 426 K C -2.337 174.404 176.600 0.235 0.000 0.939 426 K CA -0.517 55.870 56.287 0.166 0.000 0.833 426 K CB 2.195 34.723 32.500 0.047 0.000 1.318 426 K HN 0.040 nan 8.250 nan 0.000 0.433 427 V N 3.523 123.607 119.914 0.283 0.000 2.569 427 V HA 0.377 4.497 4.120 -0.000 0.000 0.301 427 V C -0.724 175.299 176.094 -0.119 0.000 1.044 427 V CA -0.960 61.352 62.300 0.021 0.000 0.874 427 V CB 1.811 33.582 31.823 -0.087 0.000 1.002 427 V HN 0.516 nan 8.190 nan 0.000 0.424 428 V N 5.323 125.141 119.914 -0.159 0.000 2.350 428 V HA 0.475 4.594 4.120 -0.000 0.000 0.276 428 V C -0.606 175.393 176.094 -0.158 0.000 1.028 428 V CA -0.283 61.973 62.300 -0.074 0.000 0.860 428 V CB 0.890 32.707 31.823 -0.011 0.000 0.990 428 V HN 0.669 nan 8.190 nan 0.000 0.453 429 F N 2.831 122.862 119.950 0.134 0.000 2.361 429 F HA 0.447 4.973 4.527 -0.000 0.000 0.364 429 F C 0.502 176.289 175.800 -0.020 0.000 1.120 429 F CA -0.896 57.168 58.000 0.107 0.000 1.102 429 F CB 0.714 39.877 39.000 0.271 0.000 1.183 429 F HN 0.396 nan 8.300 nan 0.000 0.476 430 D N 3.094 123.450 120.400 -0.073 0.000 2.280 430 D HA 0.546 5.186 4.640 -0.000 0.000 0.243 430 D C -0.341 175.607 176.300 -0.586 0.000 1.129 430 D CA 0.077 53.852 54.000 -0.375 0.000 0.848 430 D CB 1.802 42.251 40.800 -0.586 0.000 1.107 430 D HN 0.597 nan 8.370 nan 0.000 0.471 431 A N 2.765 125.443 122.820 -0.238 0.000 2.435 431 A HA 0.773 5.093 4.320 -0.000 0.000 0.304 431 A C -0.869 176.940 177.584 0.375 0.000 1.064 431 A CA -0.725 51.356 52.037 0.074 0.000 0.727 431 A CB 1.464 20.547 19.000 0.140 0.000 1.284 431 A HN 0.588 nan 8.150 nan 0.000 0.415 432 I N 0.046 120.972 120.570 0.592 0.000 2.769 432 I HA 0.486 4.656 4.170 -0.000 0.000 0.298 432 I C -1.791 174.668 176.117 0.571 0.000 1.128 432 I CA -0.857 60.769 61.300 0.543 0.000 1.031 432 I CB 1.959 40.179 38.000 0.366 0.000 1.235 432 I HN 0.719 nan 8.210 nan 0.000 0.423 433 Y N 8.582 129.021 120.300 0.231 0.000 2.477 433 Y HA 0.379 4.929 4.550 -0.000 0.000 0.349 433 Y C -1.703 174.242 175.900 0.076 0.000 0.977 433 Y CA -1.937 56.153 58.100 -0.017 0.000 1.214 433 Y CB 0.899 39.281 38.460 -0.130 0.000 1.124 433 Y HN 0.363 nan 8.280 nan 0.000 0.521 434 P HA -0.116 nan 4.420 nan 0.000 0.226 434 P C 0.559 177.900 177.300 0.069 0.000 1.153 434 P CA 1.214 64.372 63.100 0.097 0.000 0.777 434 P CB 0.600 32.353 31.700 0.088 0.000 0.794 435 D N 0.861 121.270 120.400 0.016 0.000 2.095 435 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 435 D C 1.663 178.052 176.300 0.148 0.000 0.990 435 D CA 1.730 55.780 54.000 0.084 0.000 0.836 435 D CB -0.456 40.416 40.800 0.120 0.000 0.979 435 D HN 0.368 nan 8.370 nan 0.000 0.447 436 N N -1.147 117.696 118.700 0.238 0.000 2.230 436 N HA 0.016 4.756 4.740 -0.000 0.000 0.202 436 N C -0.298 175.324 175.510 0.186 0.000 1.119 436 N CA -0.027 53.126 53.050 0.173 0.000 0.851 436 N CB 0.651 39.214 38.487 0.125 0.000 0.990 436 N HN -0.135 nan 8.380 nan 0.000 0.497 437 K N -0.115 120.418 120.400 0.221 0.000 3.209 437 K HA -0.264 4.056 4.320 -0.000 0.000 0.289 437 K C -0.728 175.979 176.600 0.178 0.000 1.191 437 K CA 0.588 56.990 56.287 0.193 0.000 0.851 437 K CB -2.663 29.922 32.500 0.143 0.000 1.242 437 K HN 0.607 nan 8.250 nan 0.000 0.480 438 Y N 2.115 122.483 120.300 0.113 0.000 2.465 438 Y HA 0.161 4.711 4.550 -0.000 0.000 0.331 438 Y C 0.440 176.447 175.900 0.178 0.000 1.102 438 Y CA 0.160 58.305 58.100 0.074 0.000 1.358 438 Y CB 0.593 39.042 38.460 -0.019 0.000 1.213 438 Y HN -0.040 nan 8.280 nan 0.000 0.525 439 K N 4.380 124.411 120.400 -0.615 0.000 2.164 439 K HA 0.546 4.866 4.320 -0.000 0.000 0.258 439 K C -0.668 175.540 176.600 -0.653 0.000 0.951 439 K CA -0.871 55.169 56.287 -0.411 0.000 0.844 439 K CB 1.982 34.289 32.500 -0.323 0.000 1.099 439 K HN 0.669 nan 8.250 nan 0.000 0.435 440 T N 0.432 114.749 114.554 -0.396 0.000 2.821 440 T HA 0.349 4.699 4.350 -0.000 0.000 0.306 440 T C -1.351 173.022 174.700 -0.544 0.000 1.313 440 T CA -0.528 61.266 62.100 -0.510 0.000 1.012 440 T CB 1.724 70.246 68.868 -0.577 0.000 1.298 440 T HN 0.498 nan 8.240 nan 0.000 0.502 441 T N 2.626 116.856 114.554 -0.540 0.000 2.855 441 T HA 0.698 5.048 4.350 -0.000 0.000 0.281 441 T C -1.122 173.222 174.700 -0.594 0.000 1.007 441 T CA -0.290 61.560 62.100 -0.416 0.000 1.009 441 T CB 0.450 69.209 68.868 -0.182 0.000 0.983 441 T HN 0.375 nan 8.240 nan 0.000 0.455 442 F N 1.387 121.340 119.950 0.004 0.000 2.467 442 F HA 0.497 5.024 4.527 -0.000 0.000 0.336 442 F C 0.669 176.613 175.800 0.239 0.000 1.123 442 F CA -0.852 57.163 58.000 0.025 0.000 0.964 442 F CB 1.930 40.843 39.000 -0.146 0.000 1.136 442 F HN 0.372 nan 8.300 nan 0.000 0.447 443 T N 2.523 117.262 114.554 0.309 0.000 2.809 443 T HA 0.184 4.534 4.350 -0.000 0.000 0.284 443 T C -1.448 173.421 174.700 0.282 0.000 0.992 443 T CA -0.555 61.705 62.100 0.268 0.000 0.957 443 T CB 0.699 69.633 68.868 0.110 0.000 0.942 443 T HN 0.392 nan 8.240 nan 0.000 0.439 444 Y N 4.178 124.613 120.300 0.226 0.000 2.477 444 Y HA 0.551 5.101 4.550 -0.000 0.000 0.349 444 Y C -0.091 175.868 175.900 0.097 0.000 0.977 444 Y CA -0.930 57.259 58.100 0.148 0.000 1.214 444 Y CB 0.339 38.933 38.460 0.224 0.000 1.124 444 Y HN 0.583 nan 8.280 nan 0.000 0.521 445 N N 8.253 126.738 118.700 -0.358 0.000 2.710 445 N HA 0.296 5.035 4.740 -0.000 0.000 0.244 445 N C -2.295 173.016 175.510 -0.331 0.000 1.321 445 N CA -1.569 51.269 53.050 -0.354 0.000 0.758 445 N CB 1.059 39.468 38.487 -0.132 0.000 1.284 445 N HN 0.387 nan 8.380 nan 0.000 0.530 446 P HA 0.202 nan 4.420 nan 0.000 0.223 446 P C 0.069 177.318 177.300 -0.085 0.000 1.151 446 P CA 0.780 63.743 63.100 -0.228 0.000 0.787 446 P CB 0.120 31.699 31.700 -0.202 0.000 0.788 447 G N -0.913 107.852 108.800 -0.057 0.000 3.435 447 G HA2 0.112 4.071 3.960 -0.000 0.000 0.683 447 G HA3 0.112 4.071 3.960 -0.000 0.000 0.683 447 G C -0.659 174.321 174.900 0.134 0.000 1.189 447 G CA -0.610 44.512 45.100 0.037 0.000 1.069 447 G HN 0.188 nan 8.290 nan 0.000 0.508 448 S N 0.656 116.351 115.700 -0.008 0.000 2.634 448 S HA 0.918 5.388 4.470 -0.000 0.000 0.296 448 S C -0.525 173.839 174.600 -0.393 0.000 1.104 448 S CA -0.751 57.341 58.200 -0.179 0.000 0.920 448 S CB 2.381 65.517 63.200 -0.106 0.000 1.111 448 S HN 0.845 nan 8.310 nan 0.000 0.493 449 E N -0.441 119.346 120.200 -0.688 0.000 2.352 449 E HA 0.553 4.903 4.350 -0.000 0.000 0.280 449 E C -0.028 176.352 176.600 -0.366 0.000 0.930 449 E CA 0.370 56.451 56.400 -0.531 0.000 0.765 449 E CB 1.576 30.868 29.700 -0.681 0.000 1.219 449 E HN 0.855 nan 8.360 nan 0.000 0.434 450 G N 2.543 111.234 108.800 -0.182 0.000 2.225 450 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.267 450 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.267 450 G C 0.179 175.061 174.900 -0.031 0.000 1.024 450 G CA 0.865 45.918 45.100 -0.079 0.000 0.784 450 G HN 0.522 nan 8.290 nan 0.000 0.507 451 I N -2.116 118.423 120.570 -0.053 0.000 2.707 451 I HA 0.857 5.027 4.170 -0.000 0.000 0.309 451 I C 0.916 177.057 176.117 0.041 0.000 1.001 451 I CA -0.926 60.357 61.300 -0.029 0.000 1.129 451 I CB 1.493 39.439 38.000 -0.090 0.000 1.308 451 I HN 0.161 nan 8.210 nan 0.000 0.466 452 G N 2.406 111.258 108.800 0.087 0.000 2.483 452 G HA2 0.574 4.534 3.960 -0.000 0.000 0.248 452 G HA3 0.574 4.534 3.960 -0.000 0.000 0.248 452 G C -0.659 174.259 174.900 0.031 0.000 1.248 452 G CA -0.090 45.090 45.100 0.133 0.000 0.838 452 G HN 1.104 nan 8.290 nan 0.000 0.566 453 A N 1.709 124.560 122.820 0.051 0.000 2.549 453 A HA 0.771 5.091 4.320 -0.000 0.000 0.297 453 A C -0.696 176.915 177.584 0.044 0.000 1.061 453 A CA -0.638 51.418 52.037 0.032 0.000 0.690 453 A CB 1.815 20.825 19.000 0.016 0.000 1.287 453 A HN 0.633 nan 8.150 nan 0.000 0.402 454 Q N 0.748 120.571 119.800 0.039 0.000 2.337 454 Q HA 0.408 4.747 4.340 -0.000 0.000 0.270 454 Q C -1.144 174.866 176.000 0.016 0.000 1.043 454 Q CA -0.637 55.186 55.803 0.034 0.000 0.794 454 Q CB 2.125 30.890 28.738 0.045 0.000 1.281 454 Q HN 0.698 nan 8.270 nan 0.000 0.446 455 E N 2.932 123.139 120.200 0.012 0.000 2.194 455 E HA 0.177 4.526 4.350 -0.000 0.000 0.284 455 E C -0.844 175.753 176.600 -0.005 0.000 1.035 455 E CA -0.334 56.068 56.400 0.003 0.000 0.836 455 E CB 0.827 30.531 29.700 0.006 0.000 1.070 455 E HN 0.226 nan 8.360 nan 0.000 0.401 456 K N 2.544 122.932 120.400 -0.021 0.000 2.265 456 K HA 0.294 4.614 4.320 -0.000 0.000 0.267 456 K C -0.498 176.091 176.600 -0.017 0.000 0.994 456 K CA -0.746 55.523 56.287 -0.030 0.000 0.860 456 K CB 1.322 33.780 32.500 -0.069 0.000 1.099 456 K HN 0.310 nan 8.250 nan 0.000 0.448 457 D N 1.416 121.810 120.400 -0.011 0.000 2.425 457 D HA 0.064 4.703 4.640 -0.000 0.000 0.240 457 D C 0.937 177.225 176.300 -0.021 0.000 1.080 457 D CA -0.452 53.547 54.000 -0.001 0.000 0.836 457 D CB 1.341 42.140 40.800 -0.002 0.000 1.125 457 D HN 0.411 nan 8.370 nan 0.000 0.525 458 S N 2.987 118.683 115.700 -0.006 0.000 2.419 458 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 458 S C 1.225 175.710 174.600 -0.192 0.000 1.016 458 S CA 0.752 58.888 58.200 -0.107 0.000 0.974 458 S CB -0.270 62.878 63.200 -0.087 0.000 0.786 458 S HN 0.615 nan 8.310 nan 0.000 0.492 459 E N 0.675 120.818 120.200 -0.095 0.000 2.409 459 E HA -0.001 4.349 4.350 -0.000 0.000 0.198 459 E C 1.714 178.267 176.600 -0.078 0.000 1.024 459 E CA 0.611 56.967 56.400 -0.075 0.000 0.861 459 E CB -0.195 29.505 29.700 -0.001 0.000 0.788 459 E HN 0.450 nan 8.360 nan 0.000 0.521 460 V N 1.403 121.271 119.914 -0.077 0.000 2.379 460 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 460 V C 1.897 177.932 176.094 -0.098 0.000 1.044 460 V CA 1.787 64.044 62.300 -0.071 0.000 1.036 460 V CB -0.243 31.550 31.823 -0.050 0.000 0.664 460 V HN 0.242 nan 8.190 nan 0.000 0.453 461 E N -0.222 119.894 120.200 -0.140 0.000 2.166 461 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 461 E C 0.673 177.128 176.600 -0.242 0.000 0.967 461 E CA 0.420 56.718 56.400 -0.171 0.000 0.840 461 E CB 0.217 29.813 29.700 -0.174 0.000 0.795 461 E HN 0.414 nan 8.360 nan 0.000 0.470 462 L N 3.145 124.176 121.223 -0.319 0.000 2.679 462 L HA 0.336 4.675 4.340 -0.000 0.000 0.238 462 L C -2.371 174.402 176.870 -0.160 0.000 1.330 462 L CA -1.815 52.810 54.840 -0.358 0.000 0.935 462 L CB 0.630 42.270 42.059 -0.698 0.000 1.243 462 L HN -0.112 nan 8.230 nan 0.000 0.484 463 P HA 0.239 nan 4.420 nan 0.000 0.272 463 P C -2.593 174.722 177.300 0.024 0.000 1.240 463 P CA -1.354 61.730 63.100 -0.027 0.000 0.791 463 P CB -0.054 31.625 31.700 -0.036 0.000 0.978 464 P HA 0.118 nan 4.420 nan 0.000 0.271 464 P C 0.751 178.051 177.300 0.001 0.000 1.233 464 P CA 0.149 63.271 63.100 0.037 0.000 0.789 464 P CB 0.274 31.989 31.700 0.026 0.000 0.951 465 E N -1.257 118.930 120.200 -0.022 0.000 2.427 465 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 465 E C 0.415 176.995 176.600 -0.034 0.000 1.028 465 E CA 0.773 57.156 56.400 -0.028 0.000 0.864 465 E CB 0.236 29.906 29.700 -0.049 0.000 0.813 465 E HN 0.362 nan 8.360 nan 0.000 0.514 466 T N -1.441 113.089 114.554 -0.041 0.000 2.830 466 T HA 0.311 4.661 4.350 -0.000 0.000 0.322 466 T C -0.499 174.174 174.700 -0.045 0.000 1.501 466 T CA -0.677 61.397 62.100 -0.043 0.000 1.036 466 T CB 0.956 69.795 68.868 -0.047 0.000 1.379 466 T HN -0.035 nan 8.240 nan 0.000 0.493 467 L N 1.433 122.630 121.223 -0.042 0.000 2.640 467 L HA 0.316 4.656 4.340 -0.000 0.000 0.230 467 L C 0.985 177.827 176.870 -0.046 0.000 1.123 467 L CA 0.033 54.848 54.840 -0.042 0.000 0.900 467 L CB 0.157 42.196 42.059 -0.034 0.000 1.146 467 L HN 0.563 nan 8.230 nan 0.000 0.484 468 D N 0.917 121.289 120.400 -0.046 0.000 2.378 468 D HA -0.010 4.630 4.640 -0.000 0.000 0.227 468 D C 0.517 176.782 176.300 -0.058 0.000 1.012 468 D CA 0.613 54.588 54.000 -0.043 0.000 0.905 468 D CB 0.207 40.987 40.800 -0.033 0.000 0.895 468 D HN 0.479 nan 8.370 nan 0.000 0.532 469 Q N -0.262 119.487 119.800 -0.086 0.000 2.511 469 Q HA 0.422 4.762 4.340 -0.000 0.000 0.289 469 Q C -2.922 172.959 176.000 -0.197 0.000 1.021 469 Q CA -1.926 53.799 55.803 -0.131 0.000 0.785 469 Q CB 1.341 29.997 28.738 -0.137 0.000 1.472 469 Q HN -0.176 nan 8.270 nan 0.000 0.411 470 P HA -0.060 nan 4.420 nan 0.000 0.268 470 P C 0.157 177.167 177.300 -0.483 0.000 1.208 470 P CA 0.072 62.876 63.100 -0.494 0.000 0.777 470 P CB 0.534 31.619 31.700 -1.024 0.000 0.875 471 N N 2.251 120.781 118.700 -0.283 0.000 2.205 471 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 471 N C 1.525 176.890 175.510 -0.241 0.000 1.015 471 N CA 1.772 54.746 53.050 -0.128 0.000 0.862 471 N CB -1.703 36.829 38.487 0.075 0.000 0.986 471 N HN 0.591 nan 8.380 nan 0.000 0.429 472 Y N -0.583 119.499 120.300 -0.364 0.000 2.574 472 Y HA 0.236 4.785 4.550 -0.000 0.000 0.294 472 Y C 1.453 177.322 175.900 -0.053 0.000 1.142 472 Y CA 0.297 58.032 58.100 -0.608 0.000 1.314 472 Y CB -0.535 37.612 38.460 -0.522 0.000 0.991 472 Y HN 0.116 nan 8.280 nan 0.000 0.555 473 E N 0.489 120.564 120.200 -0.208 0.000 2.201 473 E HA 0.249 4.599 4.350 -0.000 0.000 0.193 473 E C 1.663 178.164 176.600 -0.166 0.000 0.957 473 E CA 0.554 56.894 56.400 -0.099 0.000 0.858 473 E CB 0.094 29.701 29.700 -0.154 0.000 0.816 473 E HN 0.463 nan 8.360 nan 0.000 0.475 474 A N 1.102 123.827 122.820 -0.158 0.000 2.465 474 A HA 0.145 4.465 4.320 -0.000 0.000 0.255 474 A C 0.127 177.634 177.584 -0.130 0.000 1.274 474 A CA -0.545 51.395 52.037 -0.162 0.000 0.920 474 A CB -0.582 18.349 19.000 -0.115 0.000 1.033 474 A HN 0.315 nan 8.150 nan 0.000 0.516 475 Y N -0.498 119.757 120.300 -0.075 0.000 2.702 475 Y HA 0.271 4.821 4.550 -0.000 0.000 0.336 475 Y C 1.178 177.065 175.900 -0.022 0.000 1.235 475 Y CA 0.024 58.125 58.100 0.003 0.000 1.492 475 Y CB 0.229 38.748 38.460 0.100 0.000 1.308 475 Y HN 0.122 nan 8.280 nan 0.000 0.589 476 S N 0.108 115.869 115.700 0.101 0.000 2.492 476 S HA 0.192 4.662 4.470 -0.000 0.000 0.218 476 S C -0.336 174.046 174.600 -0.363 0.000 1.016 476 S CA 0.275 58.381 58.200 -0.157 0.000 0.916 476 S CB -0.358 62.840 63.200 -0.004 0.000 0.791 476 S HN 0.845 nan 8.310 nan 0.000 0.513 477 H N 0.804 119.958 119.070 0.141 0.000 2.985 477 H HA 0.739 5.294 4.556 -0.000 0.000 0.360 477 H C -0.471 175.165 175.328 0.513 0.000 1.221 477 H CA -0.988 55.216 56.048 0.260 0.000 1.121 477 H CB 1.374 31.246 29.762 0.184 0.000 1.854 477 H HN 0.372 nan 8.280 nan 0.000 0.551 478 R N 0.909 121.800 120.500 0.651 0.000 2.795 478 R HA 0.583 4.923 4.340 -0.000 0.000 0.275 478 R C -1.397 175.085 176.300 0.305 0.000 0.981 478 R CA -1.205 55.192 56.100 0.496 0.000 0.917 478 R CB 1.510 32.028 30.300 0.363 0.000 1.202 478 R HN 0.374 nan 8.270 nan 0.000 0.469 479 L N 2.328 123.408 121.223 -0.239 0.000 2.455 479 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 479 L C 0.270 176.808 176.870 -0.553 0.000 1.174 479 L CA 0.517 54.785 54.840 -0.953 0.000 0.869 479 L CB 0.647 42.032 42.059 -1.124 0.000 1.130 479 L HN 0.941 nan 8.230 nan 0.000 0.474 480 N N 2.901 121.275 118.700 -0.542 0.000 2.516 480 N HA 0.078 4.818 4.740 -0.000 0.000 0.197 480 N C -1.062 174.316 175.510 -0.220 0.000 1.064 480 N CA 0.408 53.258 53.050 -0.332 0.000 0.866 480 N CB 0.307 38.630 38.487 -0.275 0.000 1.255 480 N HN 0.589 nan 8.380 nan 0.000 0.447 481 Y N -1.135 118.889 120.300 -0.460 0.000 2.677 481 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 481 Y C -1.665 174.070 175.900 -0.275 0.000 1.196 481 Y CA -0.991 56.923 58.100 -0.311 0.000 1.059 481 Y CB 1.460 39.788 38.460 -0.220 0.000 1.315 481 Y HN -0.261 nan 8.280 nan 0.000 0.455 482 V N 2.638 122.350 119.914 -0.336 0.000 2.525 482 V HA 0.573 4.692 4.120 -0.000 0.000 0.299 482 V C -0.450 175.598 176.094 -0.077 0.000 1.034 482 V CA -0.474 61.737 62.300 -0.148 0.000 0.863 482 V CB 1.426 33.056 31.823 -0.321 0.000 0.999 482 V HN 0.823 nan 8.190 nan 0.000 0.423 483 T N 0.991 115.555 114.554 0.017 0.000 2.937 483 T HA 0.898 5.247 4.350 -0.000 0.000 0.283 483 T C -0.994 173.769 174.700 0.106 0.000 1.012 483 T CA -0.749 61.241 62.100 -0.183 0.000 0.997 483 T CB 2.436 71.402 68.868 0.163 0.000 1.136 483 T HN 0.567 nan 8.240 nan 0.000 0.551 484 F N 0.413 120.352 119.950 -0.017 0.000 2.688 484 F HA 0.634 5.160 4.527 -0.000 0.000 0.308 484 F C -1.769 174.124 175.800 0.155 0.000 1.117 484 F CA -1.333 56.746 58.000 0.132 0.000 0.976 484 F CB 1.463 40.587 39.000 0.206 0.000 1.291 484 F HN 0.902 nan 8.300 nan 0.000 0.439 485 I N 1.919 122.186 120.570 -0.505 0.000 2.846 485 I HA 0.716 4.885 4.170 -0.000 0.000 0.307 485 I C -1.056 174.608 176.117 -0.756 0.000 1.053 485 I CA -1.068 59.944 61.300 -0.479 0.000 1.050 485 I CB 2.086 39.792 38.000 -0.491 0.000 1.239 485 I HN 0.451 nan 8.210 nan 0.000 0.439 486 R N 2.179 122.508 120.500 -0.285 0.000 2.643 486 R HA 0.390 4.730 4.340 -0.000 0.000 0.272 486 R C -0.622 175.636 176.300 -0.071 0.000 0.995 486 R CA -0.807 55.231 56.100 -0.103 0.000 1.032 486 R CB 1.010 31.365 30.300 0.091 0.000 1.126 486 R HN 0.932 nan 8.270 nan 0.000 0.505 487 N N 1.341 120.046 118.700 0.007 0.000 2.637 487 N HA -0.176 4.563 4.740 -0.000 0.000 0.287 487 N C -2.333 173.191 175.510 0.024 0.000 1.130 487 N CA -0.077 52.996 53.050 0.038 0.000 0.764 487 N CB -0.649 37.861 38.487 0.037 0.000 0.935 487 N HN 0.343 nan 8.380 nan 0.000 0.558 488 P HA 0.170 nan 4.420 nan 0.000 0.281 488 P C -0.746 176.502 177.300 -0.087 0.000 1.249 488 P CA -0.138 63.003 63.100 0.068 0.000 0.810 488 P CB 0.805 32.576 31.700 0.118 0.000 1.008 489 D N 1.533 121.909 120.400 -0.039 0.000 2.402 489 D HA 0.219 4.859 4.640 -0.000 0.000 0.235 489 D C -0.362 175.737 176.300 -0.335 0.000 1.226 489 D CA 0.211 54.108 54.000 -0.172 0.000 0.918 489 D CB 0.160 41.114 40.800 0.257 0.000 1.043 489 D HN 0.004 nan 8.370 nan 0.000 0.506 490 V N 4.839 124.307 119.914 -0.743 0.000 2.447 490 V HA 0.302 4.422 4.120 -0.000 0.000 0.292 490 V C -2.279 173.456 176.094 -0.599 0.000 1.021 490 V CA -1.661 60.250 62.300 -0.648 0.000 0.850 490 V CB 2.303 33.627 31.823 -0.832 0.000 1.005 490 V HN 0.276 nan 8.190 nan 0.000 0.426 491 P HA 0.454 nan 4.420 nan 0.000 0.281 491 P C -0.930 176.020 177.300 -0.583 0.000 1.249 491 P CA -0.393 62.481 63.100 -0.377 0.000 0.810 491 P CB 1.843 33.105 31.700 -0.729 0.000 1.008 492 V N 2.955 122.612 119.914 -0.428 0.000 2.604 492 V HA 0.401 4.521 4.120 -0.000 0.000 0.305 492 V C -0.196 175.931 176.094 0.055 0.000 1.043 492 V CA -0.548 61.516 62.300 -0.392 0.000 0.888 492 V CB 1.345 32.802 31.823 -0.610 0.000 0.995 492 V HN 0.421 nan 8.190 nan 0.000 0.429 493 F N 3.023 122.933 119.950 -0.066 0.000 2.408 493 F HA 0.548 5.075 4.527 -0.000 0.000 0.344 493 F C 0.793 176.571 175.800 -0.036 0.000 1.112 493 F CA -0.633 57.303 58.000 -0.106 0.000 1.096 493 F CB 2.075 41.045 39.000 -0.048 0.000 1.129 493 F HN 0.564 nan 8.300 nan 0.000 0.486 494 S N 2.639 118.258 115.700 -0.134 0.000 2.621 494 S HA 0.707 5.177 4.470 -0.000 0.000 0.302 494 S C -1.527 172.801 174.600 -0.454 0.000 1.093 494 S CA -0.594 57.401 58.200 -0.342 0.000 1.017 494 S CB 1.637 64.373 63.200 -0.773 0.000 1.077 494 S HN 0.574 nan 8.310 nan 0.000 0.517 495 W N 0.149 121.344 121.300 -0.174 0.000 3.127 495 W HA 0.576 5.235 4.660 -0.000 0.000 0.330 495 W C -0.433 176.129 176.519 0.070 0.000 1.187 495 W CA -0.552 56.783 57.345 -0.017 0.000 1.198 495 W CB 1.671 31.160 29.460 0.049 0.000 1.408 495 W HN 0.901 nan 8.180 nan 0.000 0.529 496 T N -2.020 112.741 114.554 0.344 0.000 2.918 496 T HA 0.369 4.718 4.350 -0.000 0.000 0.286 496 T C -0.561 174.356 174.700 0.362 0.000 1.026 496 T CA -0.663 61.635 62.100 0.330 0.000 1.031 496 T CB 1.670 70.642 68.868 0.175 0.000 1.046 496 T HN 0.500 nan 8.240 nan 0.000 0.479 497 H N 1.253 120.414 119.070 0.151 0.000 2.732 497 H HA 0.195 4.750 4.556 -0.000 0.000 0.351 497 H C 1.370 176.690 175.328 -0.014 0.000 1.090 497 H CA -0.136 55.801 56.048 -0.185 0.000 1.431 497 H CB 1.303 30.965 29.762 -0.167 0.000 1.447 497 H HN 0.768 nan 8.280 nan 0.000 0.582 498 R N 2.274 122.512 120.500 -0.436 0.000 2.117 498 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 498 R C 2.201 178.532 176.300 0.053 0.000 1.143 498 R CA 2.065 58.072 56.100 -0.155 0.000 0.968 498 R CB -0.576 29.504 30.300 -0.367 0.000 0.863 498 R HN 0.667 nan 8.270 nan 0.000 0.444 499 S N -0.912 114.946 115.700 0.264 0.000 2.469 499 S HA 0.037 4.507 4.470 -0.000 0.000 0.238 499 S C 0.872 175.538 174.600 0.111 0.000 0.998 499 S CA 0.461 58.772 58.200 0.186 0.000 0.957 499 S CB -0.219 63.076 63.200 0.159 0.000 0.764 499 S HN 0.386 nan 8.310 nan 0.000 0.514 500 A N 3.235 126.135 122.820 0.133 0.000 2.391 500 A HA 0.481 4.801 4.320 -0.000 0.000 0.316 500 A C 0.203 177.900 177.584 0.188 0.000 1.381 500 A CA -0.738 51.313 52.037 0.022 0.000 0.998 500 A CB -0.102 18.834 19.000 -0.107 0.000 1.147 500 A HN 0.546 nan 8.150 nan 0.000 0.545 501 D N 1.656 122.138 120.400 0.137 0.000 2.377 501 D HA 0.131 4.771 4.640 -0.000 0.000 0.245 501 D C 0.768 177.245 176.300 0.294 0.000 1.196 501 D CA -0.503 53.610 54.000 0.188 0.000 0.962 501 D CB 0.586 41.451 40.800 0.109 0.000 1.127 501 D HN 0.416 nan 8.370 nan 0.000 0.471 502 R N -1.280 119.286 120.500 0.110 0.000 2.276 502 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 502 R C 0.986 177.253 176.300 -0.055 0.000 0.961 502 R CA 1.033 57.048 56.100 -0.141 0.000 1.024 502 R CB 0.045 30.081 30.300 -0.440 0.000 0.940 502 R HN 0.737 nan 8.270 nan 0.000 0.480 503 T N -3.434 111.116 114.554 -0.008 0.000 3.004 503 T HA 0.099 4.448 4.350 -0.000 0.000 0.266 503 T C 0.249 174.929 174.700 -0.033 0.000 0.986 503 T CA -0.539 61.539 62.100 -0.037 0.000 0.902 503 T CB 0.190 69.018 68.868 -0.067 0.000 1.118 503 T HN -0.020 nan 8.240 nan 0.000 0.522 504 N N 2.428 121.126 118.700 -0.003 0.000 2.686 504 N HA -0.117 4.623 4.740 -0.000 0.000 0.261 504 N C -0.678 174.761 175.510 -0.118 0.000 1.001 504 N CA 0.973 54.003 53.050 -0.034 0.000 0.764 504 N CB -1.632 36.845 38.487 -0.017 0.000 0.898 504 N HN 0.542 nan 8.380 nan 0.000 0.544 505 T N 0.122 114.583 114.554 -0.154 0.000 2.901 505 T HA 0.305 4.655 4.350 -0.000 0.000 0.301 505 T C 0.832 175.274 174.700 -0.429 0.000 1.012 505 T CA -0.253 61.647 62.100 -0.333 0.000 1.135 505 T CB 1.483 70.090 68.868 -0.434 0.000 0.936 505 T HN 0.002 nan 8.240 nan 0.000 0.539 506 V N 4.587 124.220 119.914 -0.468 0.000 2.384 506 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 506 V C -0.749 175.125 176.094 -0.366 0.000 1.020 506 V CA -0.972 61.106 62.300 -0.370 0.000 0.850 506 V CB 0.384 31.942 31.823 -0.442 0.000 0.987 506 V HN 0.760 nan 8.190 nan 0.000 0.436 507 Y N 2.084 122.419 120.300 0.058 0.000 2.299 507 Y HA 0.227 4.777 4.550 -0.000 0.000 0.326 507 Y C 1.702 177.742 175.900 0.233 0.000 1.164 507 Y CA -0.131 58.038 58.100 0.115 0.000 1.234 507 Y CB 1.407 39.920 38.460 0.088 0.000 1.219 507 Y HN 0.609 nan 8.280 nan 0.000 0.497 508 S N 0.514 116.409 115.700 0.325 0.000 2.461 508 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 508 S C 0.855 175.548 174.600 0.155 0.000 1.005 508 S CA 1.222 59.563 58.200 0.234 0.000 0.942 508 S CB -0.092 63.186 63.200 0.130 0.000 0.776 508 S HN 0.847 nan 8.310 nan 0.000 0.514 509 D N 0.253 120.763 120.400 0.184 0.000 2.513 509 D HA 0.221 4.861 4.640 -0.000 0.000 0.222 509 D C -0.025 176.337 176.300 0.103 0.000 1.210 509 D CA -0.138 53.927 54.000 0.109 0.000 0.825 509 D CB 0.179 41.026 40.800 0.079 0.000 1.037 509 D HN 0.140 nan 8.370 nan 0.000 0.506 510 K N 0.009 120.505 120.400 0.160 0.000 2.482 510 K HA 0.519 4.839 4.320 -0.000 0.000 0.257 510 K C -0.483 176.227 176.600 0.184 0.000 0.969 510 K CA -0.883 55.476 56.287 0.120 0.000 0.842 510 K CB 2.658 35.169 32.500 0.019 0.000 1.359 510 K HN -0.121 nan 8.250 nan 0.000 0.441 511 I N 2.253 122.917 120.570 0.158 0.000 2.436 511 I HA 0.044 4.213 4.170 -0.000 0.000 0.289 511 I C -0.202 176.035 176.117 0.201 0.000 1.083 511 I CA 0.236 61.647 61.300 0.185 0.000 1.372 511 I CB 0.646 38.766 38.000 0.200 0.000 1.408 511 I HN 0.456 nan 8.210 nan 0.000 0.516 512 T N 6.510 121.196 114.554 0.220 0.000 2.744 512 T HA 0.275 4.625 4.350 -0.000 0.000 0.291 512 T C -0.164 174.639 174.700 0.173 0.000 0.957 512 T CA -0.644 61.586 62.100 0.216 0.000 1.002 512 T CB 0.796 69.789 68.868 0.208 0.000 0.919 512 T HN 0.483 nan 8.240 nan 0.000 0.468 513 Q N 2.727 122.618 119.800 0.151 0.000 2.278 513 Q HA 0.485 4.825 4.340 -0.000 0.000 0.257 513 Q C -0.532 175.521 176.000 0.088 0.000 0.928 513 Q CA -0.574 55.309 55.803 0.132 0.000 0.932 513 Q CB 1.332 30.138 28.738 0.114 0.000 1.221 513 Q HN 0.535 nan 8.270 nan 0.000 0.434 514 I N 4.117 124.739 120.570 0.088 0.000 2.521 514 I HA 0.294 4.464 4.170 -0.000 0.000 0.277 514 I C -2.504 173.645 176.117 0.052 0.000 1.054 514 I CA -2.399 58.933 61.300 0.053 0.000 1.117 514 I CB 1.196 39.234 38.000 0.063 0.000 1.217 514 I HN 0.254 nan 8.210 nan 0.000 0.469 515 P HA -0.015 nan 4.420 nan 0.000 0.264 515 P C 1.393 178.710 177.300 0.028 0.000 1.193 515 P CA 0.015 63.118 63.100 0.006 0.000 0.763 515 P CB 0.846 32.511 31.700 -0.058 0.000 0.810 516 V N 2.228 122.179 119.914 0.062 0.000 3.078 516 V HA -0.122 3.998 4.120 -0.000 0.000 0.265 516 V C 1.757 177.893 176.094 0.069 0.000 1.122 516 V CA 1.195 63.544 62.300 0.082 0.000 1.141 516 V CB -1.111 30.785 31.823 0.121 0.000 0.735 516 V HN 0.356 nan 8.190 nan 0.000 0.498 517 V N 0.836 120.777 119.914 0.045 0.000 3.078 517 V HA -0.065 4.055 4.120 -0.000 0.000 0.265 517 V C 2.111 178.262 176.094 0.096 0.000 1.122 517 V CA 1.658 63.987 62.300 0.048 0.000 1.141 517 V CB -0.694 31.141 31.823 0.020 0.000 0.735 517 V HN 0.668 nan 8.190 nan 0.000 0.498 518 K N 0.939 121.380 120.400 0.068 0.000 2.551 518 K HA 0.353 4.673 4.320 -0.000 0.000 0.204 518 K C 0.556 177.230 176.600 0.123 0.000 1.033 518 K CA 0.235 56.586 56.287 0.105 0.000 1.187 518 K CB 0.249 32.749 32.500 -0.000 0.000 0.900 518 K HN 0.495 nan 8.250 nan 0.000 0.499 519 A N 1.205 124.091 122.820 0.111 0.000 2.366 519 A HA 0.097 4.417 4.320 -0.000 0.000 0.249 519 A C 1.325 178.977 177.584 0.112 0.000 1.084 519 A CA -0.230 51.869 52.037 0.103 0.000 0.794 519 A CB 0.452 19.508 19.000 0.094 0.000 1.034 519 A HN 0.321 nan 8.150 nan 0.000 0.491 520 S N -0.257 115.501 115.700 0.098 0.000 2.522 520 S HA 0.141 4.611 4.470 -0.000 0.000 0.227 520 S C 0.253 174.903 174.600 0.084 0.000 0.986 520 S CA 0.904 59.161 58.200 0.095 0.000 0.929 520 S CB -0.593 62.653 63.200 0.078 0.000 0.769 520 S HN 1.023 nan 8.310 nan 0.000 0.529 521 D N -2.436 118.011 120.400 0.078 0.000 2.827 521 D HA 0.508 5.148 4.640 -0.000 0.000 0.336 521 D C 0.177 176.517 176.300 0.066 0.000 1.374 521 D CA 0.079 54.120 54.000 0.067 0.000 0.794 521 D CB 0.358 41.193 40.800 0.058 0.000 1.364 521 D HN 0.847 nan 8.370 nan 0.000 0.464 522 G N -0.999 107.836 108.800 0.058 0.000 2.500 522 G HA2 0.147 4.107 3.960 -0.000 0.000 0.209 522 G HA3 0.147 4.107 3.960 -0.000 0.000 0.209 522 G C -2.642 172.284 174.900 0.044 0.000 1.283 522 G CA -0.383 44.754 45.100 0.061 0.000 0.960 522 G HN 0.751 nan 8.290 nan 0.000 0.528 523 P HA 0.385 nan 4.420 nan 0.000 0.268 523 P C -0.070 177.209 177.300 -0.034 0.000 1.205 523 P CA 0.117 63.206 63.100 -0.018 0.000 0.771 523 P CB 0.513 32.166 31.700 -0.079 0.000 0.858 524 K N 3.394 123.771 120.400 -0.038 0.000 2.090 524 K HA 0.385 4.705 4.320 -0.000 0.000 0.250 524 K C -2.176 174.376 176.600 -0.080 0.000 1.004 524 K CA -1.712 54.553 56.287 -0.037 0.000 0.919 524 K CB -0.376 32.117 32.500 -0.011 0.000 1.045 524 K HN 0.334 nan 8.250 nan 0.000 0.471 525 P HA 0.017 nan 4.420 nan 0.000 0.269 525 P C -0.845 176.399 177.300 -0.093 0.000 1.215 525 P CA 0.065 63.106 63.100 -0.099 0.000 0.780 525 P CB 0.680 32.317 31.700 -0.105 0.000 0.898 526 S N 0.637 116.277 115.700 -0.100 0.000 2.652 526 S HA 0.492 4.961 4.470 -0.000 0.000 0.270 526 S C 0.172 174.706 174.600 -0.110 0.000 1.243 526 S CA -0.536 57.612 58.200 -0.086 0.000 0.999 526 S CB 0.800 63.956 63.200 -0.075 0.000 0.973 526 S HN 0.516 nan 8.310 nan 0.000 0.544 527 A N 2.776 125.548 122.820 -0.080 0.000 2.797 527 A HA 0.451 4.771 4.320 -0.000 0.000 0.296 527 A C 0.202 177.657 177.584 -0.215 0.000 1.580 527 A CA -0.507 51.475 52.037 -0.092 0.000 1.277 527 A CB -1.354 17.644 19.000 -0.003 0.000 1.101 527 A HN 0.802 nan 8.150 nan 0.000 0.562 528 N N -0.253 118.156 118.700 -0.485 0.000 2.825 528 N HA 0.398 5.138 4.740 -0.000 0.000 0.253 528 N C -0.869 173.945 175.510 -1.159 0.000 1.426 528 N CA -0.776 51.511 53.050 -1.272 0.000 0.851 528 N CB 0.900 38.501 38.487 -1.477 0.000 1.470 528 N HN 0.009 nan 8.380 nan 0.000 0.517 529 E N 0.538 119.663 120.200 -1.791 0.000 2.815 529 E HA 0.197 4.546 4.350 -0.000 0.000 0.211 529 E C 0.430 176.656 176.600 -0.622 0.000 1.004 529 E CA -0.218 55.602 56.400 -0.966 0.000 1.173 529 E CB 0.295 29.522 29.700 -0.789 0.000 1.163 529 E HN 0.477 nan 8.360 nan 0.000 0.449 530 V N 0.232 119.857 119.914 -0.482 0.000 2.594 530 V HA -0.177 3.943 4.120 -0.000 0.000 0.253 530 V C 2.153 178.237 176.094 -0.018 0.000 1.069 530 V CA 2.230 64.473 62.300 -0.096 0.000 1.082 530 V CB -0.460 31.196 31.823 -0.278 0.000 0.680 530 V HN 0.441 nan 8.190 nan 0.000 0.469 531 G N -1.578 107.134 108.800 -0.147 0.000 2.625 531 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 531 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 531 G C 1.125 176.009 174.900 -0.027 0.000 1.132 531 G CA 0.384 45.431 45.100 -0.089 0.000 0.782 531 G HN 0.640 nan 8.290 nan 0.000 0.538 532 H N -1.446 117.579 119.070 -0.076 0.000 2.457 532 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 532 H C 1.769 176.928 175.328 -0.282 0.000 1.092 532 H CA 1.093 57.021 56.048 -0.201 0.000 1.309 532 H CB 0.045 29.687 29.762 -0.200 0.000 1.382 532 H HN 0.513 nan 8.280 nan 0.000 0.535 533 Y N -0.193 120.104 120.300 -0.006 0.000 2.519 533 Y HA 0.006 4.556 4.550 -0.000 0.000 0.287 533 Y C 1.744 177.494 175.900 -0.250 0.000 1.128 533 Y CA 0.469 58.494 58.100 -0.125 0.000 1.282 533 Y CB 0.453 38.793 38.460 -0.200 0.000 1.027 533 Y HN 0.117 nan 8.280 nan 0.000 0.551 534 L N -2.362 118.798 121.223 -0.106 0.000 2.701 534 L HA 0.405 4.744 4.340 -0.000 0.000 0.238 534 L C 1.543 178.335 176.870 -0.130 0.000 1.106 534 L CA 0.546 55.285 54.840 -0.168 0.000 0.898 534 L CB 0.234 42.184 42.059 -0.182 0.000 1.188 534 L HN 0.178 nan 8.230 nan 0.000 0.508 535 G N 0.388 109.118 108.800 -0.117 0.000 2.132 535 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.234 535 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.234 535 G C 0.358 175.215 174.900 -0.071 0.000 0.989 535 G CA -0.062 44.969 45.100 -0.115 0.000 0.676 535 G HN 0.793 nan 8.290 nan 0.000 0.522 536 G N -1.346 107.421 108.800 -0.055 0.000 2.320 536 G HA2 0.481 4.441 3.960 -0.000 0.000 0.297 536 G HA3 0.481 4.441 3.960 -0.000 0.000 0.297 536 G C -1.605 173.264 174.900 -0.051 0.000 1.344 536 G CA -0.130 44.951 45.100 -0.032 0.000 0.851 536 G HN 0.268 nan 8.290 nan 0.000 0.567 537 D N 1.922 122.291 120.400 -0.052 0.000 2.350 537 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 537 D C -1.637 174.640 176.300 -0.039 0.000 1.119 537 D CA -0.433 53.524 54.000 -0.071 0.000 0.886 537 D CB 1.836 42.579 40.800 -0.096 0.000 1.195 537 D HN 0.224 nan 8.370 nan 0.000 0.437 538 P HA 0.249 nan 4.420 nan 0.000 0.276 538 P C -0.368 176.947 177.300 0.025 0.000 1.261 538 P CA -0.604 62.523 63.100 0.046 0.000 0.800 538 P CB 1.225 33.002 31.700 0.128 0.000 1.066 539 I N 0.483 121.069 120.570 0.026 0.000 2.392 539 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 539 I C 0.658 176.645 176.117 -0.218 0.000 0.985 539 I CA -0.335 60.896 61.300 -0.114 0.000 1.221 539 I CB 0.699 38.633 38.000 -0.110 0.000 1.366 539 I HN 0.250 nan 8.210 nan 0.000 0.467 540 S N 6.045 121.493 115.700 -0.420 0.000 2.549 540 S HA 0.743 5.213 4.470 -0.000 0.000 0.297 540 S C -0.768 173.346 174.600 -0.810 0.000 1.115 540 S CA -0.425 57.485 58.200 -0.484 0.000 1.059 540 S CB 1.294 64.296 63.200 -0.329 0.000 1.046 540 S HN 0.278 nan 8.310 nan 0.000 0.506 541 F N 1.194 121.059 119.950 -0.143 0.000 2.518 541 F HA 0.436 4.963 4.527 -0.000 0.000 0.323 541 F C 0.879 176.711 175.800 0.053 0.000 1.129 541 F CA -0.806 57.190 58.000 -0.007 0.000 0.920 541 F CB 1.269 40.337 39.000 0.114 0.000 1.160 541 F HN 0.520 nan 8.300 nan 0.000 0.440 542 N N 0.360 119.168 118.700 0.179 0.000 2.353 542 N HA 0.081 4.821 4.740 -0.000 0.000 0.185 542 N C -0.258 175.339 175.510 0.145 0.000 1.098 542 N CA 0.184 53.337 53.050 0.172 0.000 0.872 542 N CB 0.445 38.968 38.487 0.061 0.000 0.970 542 N HN 0.599 nan 8.380 nan 0.000 0.467 543 S N -1.924 113.769 115.700 -0.010 0.000 2.703 543 S HA 0.358 4.828 4.470 -0.000 0.000 0.273 543 S C -0.845 173.421 174.600 -0.556 0.000 1.178 543 S CA -1.058 56.809 58.200 -0.556 0.000 0.838 543 S CB 0.947 63.980 63.200 -0.279 0.000 1.178 543 S HN -0.124 nan 8.310 nan 0.000 0.494 544 S N 0.188 115.489 115.700 -0.665 0.000 2.552 544 S HA 0.594 5.064 4.470 -0.000 0.000 0.289 544 S C 0.520 175.032 174.600 -0.147 0.000 1.304 544 S CA 0.436 58.407 58.200 -0.381 0.000 1.063 544 S CB 0.053 63.091 63.200 -0.270 0.000 0.848 544 S HN 1.359 nan 8.310 nan 0.000 0.499 545 G N 1.294 109.985 108.800 -0.182 0.000 2.428 545 G HA2 0.545 4.504 3.960 -0.000 0.000 0.304 545 G HA3 0.545 4.504 3.960 -0.000 0.000 0.304 545 G C -1.560 173.205 174.900 -0.225 0.000 1.303 545 G CA -0.664 44.410 45.100 -0.044 0.000 0.825 545 G HN 0.636 nan 8.290 nan 0.000 0.484 546 S N -0.653 115.081 115.700 0.056 0.000 2.570 546 S HA 0.781 5.251 4.470 -0.000 0.000 0.286 546 S C 0.456 175.247 174.600 0.319 0.000 1.099 546 S CA -0.094 58.137 58.200 0.052 0.000 0.913 546 S CB 1.684 64.914 63.200 0.050 0.000 1.085 546 S HN 1.291 nan 8.310 nan 0.000 0.480 547 T N 0.181 114.911 114.554 0.293 0.000 2.701 547 T HA 0.491 4.841 4.350 -0.000 0.000 0.303 547 T C 0.926 175.727 174.700 0.167 0.000 1.030 547 T CA -0.308 61.961 62.100 0.282 0.000 1.010 547 T CB -0.149 68.848 68.868 0.214 0.000 1.007 547 T HN 0.688 nan 8.240 nan 0.000 0.532 548 G N -0.465 108.412 108.800 0.129 0.000 2.684 548 G HA2 0.413 4.373 3.960 -0.000 0.000 0.255 548 G HA3 0.413 4.373 3.960 -0.000 0.000 0.255 548 G C -0.237 174.714 174.900 0.085 0.000 1.219 548 G CA -0.901 44.257 45.100 0.096 0.000 0.901 548 G HN 0.868 nan 8.290 nan 0.000 0.548 549 V N 1.038 120.994 119.914 0.070 0.000 2.450 549 V HA 0.051 4.170 4.120 -0.000 0.000 0.281 549 V C 0.597 176.732 176.094 0.068 0.000 1.019 549 V CA 0.360 62.697 62.300 0.062 0.000 1.062 549 V CB -0.020 31.835 31.823 0.052 0.000 0.979 549 V HN 0.369 nan 8.190 nan 0.000 0.477 550 I N 6.026 126.638 120.570 0.070 0.000 2.312 550 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 550 I C 0.585 176.733 176.117 0.050 0.000 1.031 550 I CA -0.333 61.008 61.300 0.068 0.000 1.293 550 I CB 0.818 38.862 38.000 0.073 0.000 1.403 550 I HN 0.647 nan 8.210 nan 0.000 0.484 551 R N 7.794 128.320 120.500 0.043 0.000 2.297 551 R HA 0.707 5.046 4.340 -0.000 0.000 0.308 551 R C -1.655 174.637 176.300 -0.015 0.000 1.029 551 R CA -0.216 55.896 56.100 0.019 0.000 0.929 551 R CB 0.780 31.098 30.300 0.029 0.000 1.046 551 R HN 0.624 nan 8.270 nan 0.000 0.461 552 L N 3.108 124.293 121.223 -0.063 0.000 2.354 552 L HA 0.491 4.831 4.340 -0.000 0.000 0.264 552 L C -0.464 176.300 176.870 -0.176 0.000 1.008 552 L CA -1.179 53.576 54.840 -0.142 0.000 0.819 552 L CB 2.401 44.315 42.059 -0.242 0.000 1.339 552 L HN 0.696 nan 8.230 nan 0.000 0.420 553 N N 2.933 121.514 118.700 -0.199 0.000 2.476 553 N HA 0.398 5.138 4.740 -0.000 0.000 0.257 553 N C -1.079 174.270 175.510 -0.268 0.000 0.970 553 N CA -0.504 52.429 53.050 -0.195 0.000 0.938 553 N CB 2.107 40.510 38.487 -0.142 0.000 1.144 553 N HN 0.332 nan 8.380 nan 0.000 0.500 554 I N 2.215 122.622 120.570 -0.272 0.000 2.325 554 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 554 I C 0.611 176.640 176.117 -0.147 0.000 1.019 554 I CA -0.605 60.520 61.300 -0.292 0.000 1.302 554 I CB 0.058 37.852 38.000 -0.344 0.000 1.401 554 I HN 0.179 nan 8.210 nan 0.000 0.485 555 N N 3.452 122.070 118.700 -0.137 0.000 2.444 555 N HA 0.101 4.841 4.740 -0.000 0.000 0.255 555 N C 0.379 175.906 175.510 0.027 0.000 1.255 555 N CA -0.088 52.928 53.050 -0.057 0.000 0.933 555 N CB 0.786 39.233 38.487 -0.066 0.000 1.143 555 N HN 0.689 nan 8.380 nan 0.000 0.453 556 S N 1.054 116.775 115.700 0.035 0.000 2.593 556 S HA 0.418 4.887 4.470 -0.000 0.000 0.269 556 S C -2.447 172.194 174.600 0.068 0.000 1.334 556 S CA -0.921 57.310 58.200 0.052 0.000 1.015 556 S CB 0.783 64.005 63.200 0.037 0.000 0.912 556 S HN 0.380 nan 8.310 nan 0.000 0.541 557 P HA 0.318 nan 4.420 nan 0.000 0.292 557 P C 0.384 177.736 177.300 0.087 0.000 1.283 557 P CA -0.751 62.383 63.100 0.056 0.000 0.835 557 P CB 1.026 32.745 31.700 0.033 0.000 1.017 558 L N 1.798 123.077 121.223 0.093 0.000 2.549 558 L HA -0.128 4.212 4.340 -0.000 0.000 0.229 558 L C 2.001 178.948 176.870 0.129 0.000 1.158 558 L CA 1.364 56.287 54.840 0.139 0.000 0.842 558 L CB -0.464 41.665 42.059 0.117 0.000 0.952 558 L HN 0.476 nan 8.230 nan 0.000 0.452 559 S N -2.151 113.592 115.700 0.071 0.000 2.558 559 S HA -0.057 4.412 4.470 -0.000 0.000 0.217 559 S C 0.908 175.503 174.600 -0.008 0.000 0.975 559 S CA -0.376 57.845 58.200 0.036 0.000 0.912 559 S CB -0.119 63.092 63.200 0.019 0.000 0.776 559 S HN 0.311 nan 8.310 nan 0.000 0.526 560 Q N 3.206 122.993 119.800 -0.022 0.000 2.274 560 Q HA 0.157 4.496 4.340 -0.000 0.000 0.280 560 Q C -0.517 175.310 176.000 -0.288 0.000 1.047 560 Q CA 0.261 55.960 55.803 -0.174 0.000 0.907 560 Q CB 0.446 29.055 28.738 -0.215 0.000 1.171 560 Q HN 0.105 nan 8.270 nan 0.000 0.381 561 K N 3.762 123.961 120.400 -0.336 0.000 2.237 561 K HA 0.223 4.543 4.320 -0.000 0.000 0.270 561 K C -0.857 175.361 176.600 -0.638 0.000 1.015 561 K CA 0.024 56.091 56.287 -0.366 0.000 0.949 561 K CB 0.577 32.942 32.500 -0.225 0.000 0.976 561 K HN 0.612 nan 8.250 nan 0.000 0.472 562 Y N 0.269 120.297 120.300 -0.454 0.000 2.512 562 Y HA 0.360 4.910 4.550 -0.000 0.000 0.348 562 Y C 0.511 176.110 175.900 -0.501 0.000 0.990 562 Y CA -1.056 56.773 58.100 -0.451 0.000 1.033 562 Y CB 2.074 40.208 38.460 -0.544 0.000 1.259 562 Y HN 0.503 nan 8.280 nan 0.000 0.461 563 R N 0.423 120.898 120.500 -0.042 0.000 2.902 563 R HA 0.954 5.294 4.340 -0.000 0.000 0.258 563 R C -1.998 174.410 176.300 0.179 0.000 1.071 563 R CA -0.956 55.189 56.100 0.076 0.000 1.024 563 R CB 1.690 32.050 30.300 0.099 0.000 1.184 563 R HN 0.422 nan 8.270 nan 0.000 0.492 564 V N 1.275 121.368 119.914 0.298 0.000 2.656 564 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 564 V C -0.657 175.619 176.094 0.303 0.000 1.051 564 V CA -0.905 61.588 62.300 0.322 0.000 0.893 564 V CB 1.866 33.934 31.823 0.409 0.000 0.999 564 V HN 0.890 nan 8.190 nan 0.000 0.426 565 R N 3.636 124.242 120.500 0.177 0.000 2.744 565 R HA 0.872 5.212 4.340 -0.000 0.000 0.279 565 R C -1.844 174.600 176.300 0.240 0.000 0.977 565 R CA -0.863 55.308 56.100 0.118 0.000 0.906 565 R CB 2.092 32.304 30.300 -0.147 0.000 1.197 565 R HN 0.460 nan 8.270 nan 0.000 0.463 566 I N 1.439 122.185 120.570 0.294 0.000 2.436 566 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 566 I C -0.060 176.313 176.117 0.427 0.000 1.010 566 I CA -0.725 60.766 61.300 0.318 0.000 1.098 566 I CB 1.991 40.104 38.000 0.190 0.000 1.266 566 I HN 0.522 nan 8.210 nan 0.000 0.434 567 R N 6.172 126.873 120.500 0.334 0.000 2.298 567 R HA 0.474 4.814 4.340 -0.000 0.000 0.310 567 R C -1.461 174.946 176.300 0.178 0.000 1.068 567 R CA -0.200 55.921 56.100 0.034 0.000 0.957 567 R CB 0.543 30.773 30.300 -0.117 0.000 1.003 567 R HN 0.660 nan 8.270 nan 0.000 0.454 568 Y N 0.821 121.136 120.300 0.024 0.000 2.655 568 Y HA 0.623 5.173 4.550 -0.000 0.000 0.336 568 Y C -1.521 174.421 175.900 0.070 0.000 1.154 568 Y CA -1.621 56.539 58.100 0.100 0.000 1.055 568 Y CB 1.016 39.532 38.460 0.094 0.000 1.295 568 Y HN 0.541 nan 8.280 nan 0.000 0.465 569 C N 2.889 122.277 119.300 0.146 0.000 2.535 569 C HA 0.912 5.372 4.460 -0.000 0.000 0.319 569 C C -1.124 173.996 174.990 0.217 0.000 1.171 569 C CA 0.348 59.300 59.018 -0.109 0.000 1.394 569 C CB 0.499 27.922 27.740 -0.529 0.000 1.990 569 C HN 1.236 nan 8.230 nan 0.000 0.466 570 S N 2.810 118.618 115.700 0.180 0.000 2.564 570 S HA 0.552 5.022 4.470 -0.000 0.000 0.274 570 S C 0.167 174.801 174.600 0.056 0.000 1.124 570 S CA 0.107 58.361 58.200 0.089 0.000 0.869 570 S CB 1.566 64.770 63.200 0.007 0.000 1.105 570 S HN 1.415 nan 8.310 nan 0.000 0.472 571 S N -0.027 115.677 115.700 0.007 0.000 2.593 571 S HA 0.345 4.815 4.470 -0.000 0.000 0.217 571 S C 0.662 175.270 174.600 0.012 0.000 0.966 571 S CA 0.295 58.503 58.200 0.014 0.000 0.914 571 S CB -0.941 62.270 63.200 0.019 0.000 0.776 571 S HN 1.645 nan 8.310 nan 0.000 0.523 572 V N -2.005 117.904 119.914 -0.009 0.000 3.078 572 V HA 0.615 4.734 4.120 -0.000 0.000 0.311 572 V C -1.511 174.648 176.094 0.108 0.000 1.138 572 V CA -1.296 61.004 62.300 -0.000 0.000 1.007 572 V CB 1.631 33.394 31.823 -0.100 0.000 1.045 572 V HN 0.024 nan 8.190 nan 0.000 0.432 573 D N 2.296 122.759 120.400 0.105 0.000 2.313 573 D HA 0.682 5.322 4.640 -0.000 0.000 0.247 573 D C -0.496 175.897 176.300 0.154 0.000 1.094 573 D CA 0.484 54.547 54.000 0.106 0.000 0.925 573 D CB 1.611 42.417 40.800 0.011 0.000 1.188 573 D HN 0.764 nan 8.370 nan 0.000 0.430 574 F N -2.101 117.803 119.950 -0.077 0.000 2.719 574 F HA 0.347 4.874 4.527 -0.000 0.000 0.309 574 F C -1.177 174.642 175.800 0.032 0.000 1.138 574 F CA -1.303 56.670 58.000 -0.044 0.000 0.943 574 F CB 1.053 39.920 39.000 -0.221 0.000 1.304 574 F HN -0.136 nan 8.300 nan 0.000 0.445 575 D N 2.449 122.935 120.400 0.143 0.000 2.308 575 D HA 0.484 5.124 4.640 -0.000 0.000 0.251 575 D C -0.991 175.459 176.300 0.251 0.000 1.127 575 D CA 0.242 54.298 54.000 0.092 0.000 0.876 575 D CB 1.972 42.831 40.800 0.098 0.000 1.176 575 D HN 0.761 nan 8.370 nan 0.000 0.446 576 L N 2.363 123.750 121.223 0.274 0.000 2.385 576 L HA 0.429 4.769 4.340 -0.000 0.000 0.273 576 L C -1.443 175.621 176.870 0.323 0.000 0.990 576 L CA -0.657 54.390 54.840 0.346 0.000 0.821 576 L CB 1.669 43.955 42.059 0.379 0.000 1.279 576 L HN 0.350 nan 8.230 nan 0.000 0.412 577 D N 3.060 123.567 120.400 0.177 0.000 2.547 577 D HA 0.528 5.168 4.640 -0.000 0.000 0.231 577 D C -1.216 175.089 176.300 0.009 0.000 1.099 577 D CA -0.615 53.434 54.000 0.081 0.000 0.901 577 D CB 2.179 42.982 40.800 0.004 0.000 1.478 577 D HN 0.184 nan 8.370 nan 0.000 0.471 578 V N 0.893 120.738 119.914 -0.115 0.000 2.347 578 V HA 0.412 4.532 4.120 -0.000 0.000 0.280 578 V C -0.279 175.690 176.094 -0.208 0.000 1.021 578 V CA -0.833 61.378 62.300 -0.149 0.000 0.847 578 V CB 1.360 33.036 31.823 -0.244 0.000 0.990 578 V HN 0.531 nan 8.190 nan 0.000 0.444 579 V N 5.878 125.709 119.914 -0.139 0.000 2.350 579 V HA 0.507 4.627 4.120 -0.000 0.000 0.276 579 V C 0.277 176.283 176.094 -0.147 0.000 1.028 579 V CA -0.622 61.596 62.300 -0.137 0.000 0.860 579 V CB 1.440 33.222 31.823 -0.068 0.000 0.990 579 V HN 0.784 nan 8.190 nan 0.000 0.453 580 R N 3.694 124.062 120.500 -0.220 0.000 2.338 580 R HA 0.476 4.816 4.340 -0.000 0.000 0.317 580 R C 0.960 177.221 176.300 -0.065 0.000 0.968 580 R CA 0.448 56.440 56.100 -0.180 0.000 0.849 580 R CB 1.213 31.244 30.300 -0.448 0.000 1.128 580 R HN 1.032 nan 8.270 nan 0.000 0.448 581 G N 2.518 111.334 108.800 0.026 0.000 2.269 581 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.277 581 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.277 581 G C 0.803 175.709 174.900 0.010 0.000 1.008 581 G CA 1.029 46.153 45.100 0.041 0.000 0.774 581 G HN 1.379 nan 8.290 nan 0.000 0.511 582 G N -2.611 106.184 108.800 -0.009 0.000 2.213 582 G HA2 0.126 4.086 3.960 -0.000 0.000 0.226 582 G HA3 0.126 4.086 3.960 -0.000 0.000 0.226 582 G C 0.658 175.538 174.900 -0.033 0.000 0.992 582 G CA 1.320 46.412 45.100 -0.014 0.000 0.632 582 G HN 2.423 nan 8.290 nan 0.000 0.511 583 T N 0.203 114.724 114.554 -0.055 0.000 2.885 583 T HA 0.620 4.969 4.350 -0.000 0.000 0.285 583 T C 0.194 174.822 174.700 -0.121 0.000 1.019 583 T CA 0.704 62.761 62.100 -0.072 0.000 1.010 583 T CB 1.689 70.522 68.868 -0.058 0.000 1.022 583 T HN 0.328 nan 8.240 nan 0.000 0.466 584 T N 3.429 117.914 114.554 -0.115 0.000 2.834 584 T HA 0.311 4.661 4.350 -0.000 0.000 0.298 584 T C 1.533 176.115 174.700 -0.198 0.000 0.966 584 T CA -0.088 61.921 62.100 -0.152 0.000 1.141 584 T CB 0.738 69.541 68.868 -0.107 0.000 0.905 584 T HN 0.761 nan 8.240 nan 0.000 0.535 585 V N 0.100 119.831 119.914 -0.305 0.000 3.612 585 V HA 0.451 4.571 4.120 -0.000 0.000 0.268 585 V C 0.386 176.277 176.094 -0.339 0.000 1.365 585 V CA -0.117 61.977 62.300 -0.343 0.000 1.044 585 V CB -0.006 31.445 31.823 -0.621 0.000 0.820 585 V HN 0.642 nan 8.190 nan 0.000 0.444 586 N N 1.502 119.941 118.700 -0.436 0.000 2.308 586 N HA 0.491 5.231 4.740 -0.000 0.000 0.283 586 N C -1.795 173.435 175.510 -0.467 0.000 1.105 586 N CA -0.162 52.486 53.050 -0.670 0.000 0.840 586 N CB 2.394 39.977 38.487 -1.505 0.000 1.633 586 N HN 0.430 nan 8.380 nan 0.000 0.476 587 N N -0.456 118.121 118.700 -0.206 0.000 2.308 587 N HA 0.761 5.501 4.740 -0.000 0.000 0.283 587 N C -1.300 174.392 175.510 0.305 0.000 1.105 587 N CA -0.466 52.635 53.050 0.085 0.000 0.840 587 N CB 2.062 40.562 38.487 0.021 0.000 1.633 587 N HN 0.651 nan 8.380 nan 0.000 0.476 588 G N 0.844 109.831 108.800 0.313 0.000 2.506 588 G HA2 0.415 4.375 3.960 -0.000 0.000 0.292 588 G HA3 0.415 4.375 3.960 -0.000 0.000 0.292 588 G C -1.906 172.784 174.900 -0.351 0.000 1.425 588 G CA -0.874 44.207 45.100 -0.031 0.000 0.788 588 G HN 0.617 nan 8.290 nan 0.000 0.490 589 R N -0.694 119.394 120.500 -0.687 0.000 2.474 589 R HA 0.784 5.124 4.340 -0.000 0.000 0.295 589 R C -1.332 174.229 176.300 -1.233 0.000 0.980 589 R CA -0.468 55.219 56.100 -0.688 0.000 0.934 589 R CB 0.803 30.872 30.300 -0.386 0.000 1.101 589 R HN 0.307 nan 8.270 nan 0.000 0.469 590 F N 1.482 121.042 119.950 -0.650 0.000 2.588 590 F HA 0.450 4.977 4.527 -0.000 0.000 0.314 590 F C 0.070 175.589 175.800 -0.469 0.000 1.069 590 F CA -1.045 56.578 58.000 -0.628 0.000 0.931 590 F CB 1.853 40.297 39.000 -0.927 0.000 1.260 590 F HN 0.417 nan 8.300 nan 0.000 0.465 591 N N 1.113 119.834 118.700 0.033 0.000 2.489 591 N HA 0.273 5.013 4.740 -0.000 0.000 0.284 591 N C -0.787 174.871 175.510 0.246 0.000 1.158 591 N CA -0.819 52.282 53.050 0.085 0.000 0.965 591 N CB 1.392 39.916 38.487 0.060 0.000 1.195 591 N HN 0.591 nan 8.380 nan 0.000 0.506 592 K N -1.384 119.125 120.400 0.182 0.000 2.319 592 K HA 0.222 4.541 4.320 -0.000 0.000 0.265 592 K C 0.395 177.074 176.600 0.131 0.000 1.000 592 K CA -0.267 56.136 56.287 0.193 0.000 0.943 592 K CB 0.514 33.075 32.500 0.102 0.000 0.950 592 K HN 0.549 nan 8.250 nan 0.000 0.485 593 S N -0.265 115.482 115.700 0.078 0.000 2.733 593 S HA 0.346 4.816 4.470 -0.000 0.000 0.247 593 S C -0.071 174.467 174.600 -0.103 0.000 1.043 593 S CA -0.159 58.011 58.200 -0.051 0.000 1.066 593 S CB 0.599 63.682 63.200 -0.196 0.000 1.045 593 S HN 0.812 nan 8.310 nan 0.000 0.586 594 A N 1.999 124.784 122.820 -0.059 0.000 2.572 594 A HA 0.863 5.182 4.320 -0.000 0.000 0.295 594 A C -3.163 174.404 177.584 -0.029 0.000 1.072 594 A CA -1.694 50.297 52.037 -0.077 0.000 0.691 594 A CB 0.944 19.875 19.000 -0.114 0.000 1.291 594 A HN 0.186 nan 8.150 nan 0.000 0.404 595 P HA 0.166 nan 4.420 nan 0.000 0.275 595 P C -0.556 176.747 177.300 0.004 0.000 1.266 595 P CA -0.453 62.642 63.100 -0.009 0.000 0.793 595 P CB 0.475 32.167 31.700 -0.013 0.000 1.074 596 N N -0.280 118.427 118.700 0.013 0.000 2.466 596 N HA 0.274 5.014 4.740 -0.000 0.000 0.263 596 N C -0.368 175.153 175.510 0.018 0.000 1.178 596 N CA -0.278 52.786 53.050 0.024 0.000 0.983 596 N CB -0.436 38.066 38.487 0.025 0.000 1.331 596 N HN 0.164 nan 8.380 nan 0.000 0.500 597 V N -0.074 119.853 119.914 0.023 0.000 3.130 597 V HA 0.770 4.890 4.120 -0.000 0.000 0.310 597 V C 0.841 176.948 176.094 0.022 0.000 1.158 597 V CA -1.292 61.010 62.300 0.004 0.000 1.029 597 V CB 1.063 32.873 31.823 -0.021 0.000 1.057 597 V HN 0.354 nan 8.190 nan 0.000 0.436 598 G N 1.525 110.310 108.800 -0.026 0.000 2.484 598 G HA2 0.134 4.094 3.960 -0.000 0.000 0.235 598 G HA3 0.134 4.094 3.960 -0.000 0.000 0.235 598 G C 0.697 175.555 174.900 -0.070 0.000 1.282 598 G CA 0.340 45.404 45.100 -0.060 0.000 0.857 598 G HN 1.326 nan 8.290 nan 0.000 0.571 599 W N 1.296 122.633 121.300 0.061 0.000 2.341 599 W HA -0.202 4.458 4.660 -0.000 0.000 0.283 599 W C 1.262 177.785 176.519 0.006 0.000 1.215 599 W CA 1.003 58.361 57.345 0.023 0.000 1.211 599 W CB -0.433 29.049 29.460 0.035 0.000 1.131 599 W HN 0.560 nan 8.180 nan 0.000 0.552 600 Q N 1.378 120.716 119.800 -0.770 0.000 2.291 600 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 600 Q C 2.283 178.160 176.000 -0.204 0.000 0.970 600 Q CA 2.191 57.594 55.803 -0.666 0.000 0.876 600 Q CB -0.503 27.732 28.738 -0.838 0.000 0.935 600 Q HN 0.169 nan 8.270 nan 0.000 0.455 601 S N -0.089 115.517 115.700 -0.157 0.000 2.558 601 S HA 0.135 4.604 4.470 -0.000 0.000 0.217 601 S C 0.409 174.993 174.600 -0.028 0.000 0.975 601 S CA -0.081 58.076 58.200 -0.073 0.000 0.912 601 S CB 0.057 63.209 63.200 -0.080 0.000 0.776 601 S HN 0.255 nan 8.310 nan 0.000 0.526 602 L N 1.913 123.130 121.223 -0.010 0.000 2.456 602 L HA 0.256 4.595 4.340 -0.000 0.000 0.272 602 L C 0.274 177.097 176.870 -0.078 0.000 1.189 602 L CA 0.064 54.849 54.840 -0.092 0.000 0.846 602 L CB 0.279 42.234 42.059 -0.173 0.000 1.111 602 L HN -0.011 nan 8.230 nan 0.000 0.475 603 K N 0.438 120.721 120.400 -0.195 0.000 2.346 603 K HA 0.209 4.529 4.320 -0.000 0.000 0.238 603 K C 0.295 176.700 176.600 -0.326 0.000 1.039 603 K CA -0.646 55.544 56.287 -0.162 0.000 0.861 603 K CB 0.926 33.434 32.500 0.013 0.000 1.278 603 K HN 0.264 nan 8.250 nan 0.000 0.460 604 Y N 1.757 121.892 120.300 -0.274 0.000 2.069 604 Y HA -0.340 4.210 4.550 -0.000 0.000 0.278 604 Y C 1.683 177.592 175.900 0.015 0.000 1.175 604 Y CA 2.644 60.697 58.100 -0.078 0.000 1.134 604 Y CB 0.068 38.596 38.460 0.113 0.000 0.965 604 Y HN 0.781 nan 8.280 nan 0.000 0.498 605 E N -0.877 119.330 120.200 0.013 0.000 2.267 605 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 605 E C 1.316 177.775 176.600 -0.235 0.000 0.998 605 E CA 1.374 57.733 56.400 -0.069 0.000 0.830 605 E CB -0.532 29.177 29.700 0.016 0.000 0.751 605 E HN 0.501 nan 8.360 nan 0.000 0.491 606 N N 0.164 118.646 118.700 -0.363 0.000 2.521 606 N HA 0.015 4.755 4.740 -0.000 0.000 0.188 606 N C -0.671 174.344 175.510 -0.824 0.000 1.146 606 N CA 0.499 53.230 53.050 -0.531 0.000 0.893 606 N CB -0.014 38.127 38.487 -0.576 0.000 0.975 606 N HN 0.154 nan 8.380 nan 0.000 0.451 607 F N 1.160 120.804 119.950 -0.510 0.000 2.408 607 F HA 0.378 4.905 4.527 -0.000 0.000 0.344 607 F C 0.906 176.334 175.800 -0.620 0.000 1.112 607 F CA -0.404 57.245 58.000 -0.585 0.000 1.096 607 F CB 1.292 39.904 39.000 -0.646 0.000 1.129 607 F HN -0.403 nan 8.300 nan 0.000 0.486 608 K N 2.152 122.197 120.400 -0.593 0.000 2.469 608 K HA 0.520 4.840 4.320 -0.000 0.000 0.268 608 K C -1.693 174.550 176.600 -0.594 0.000 1.027 608 K CA -1.038 54.910 56.287 -0.566 0.000 0.893 608 K CB 2.347 34.556 32.500 -0.485 0.000 1.460 608 K HN 0.252 nan 8.250 nan 0.000 0.449 609 F N 0.902 120.793 119.950 -0.098 0.000 2.420 609 F HA 0.367 4.894 4.527 -0.000 0.000 0.342 609 F C 0.297 176.161 175.800 0.107 0.000 1.113 609 F CA -0.704 57.310 58.000 0.024 0.000 1.059 609 F CB 1.662 40.667 39.000 0.008 0.000 1.128 609 F HN 0.516 nan 8.300 nan 0.000 0.475 610 A N 2.845 125.812 122.820 0.245 0.000 2.316 610 A HA 0.522 4.842 4.320 -0.000 0.000 0.311 610 A C -0.085 177.277 177.584 -0.370 0.000 1.339 610 A CA -0.251 51.487 52.037 -0.498 0.000 0.960 610 A CB 0.149 18.297 19.000 -1.422 0.000 1.152 610 A HN 0.570 nan 8.150 nan 0.000 0.547 611 S N 2.434 118.009 115.700 -0.208 0.000 2.473 611 S HA 0.793 5.262 4.470 -0.000 0.000 0.307 611 S C -0.948 173.520 174.600 -0.220 0.000 1.094 611 S CA -0.404 57.708 58.200 -0.147 0.000 1.070 611 S CB 0.168 63.343 63.200 -0.042 0.000 1.019 611 S HN 0.414 nan 8.310 nan 0.000 0.480 612 F N 2.213 122.250 119.950 0.144 0.000 2.480 612 F HA 0.381 4.908 4.527 -0.000 0.000 0.329 612 F C 1.545 177.397 175.800 0.087 0.000 1.091 612 F CA -0.695 57.390 58.000 0.141 0.000 0.972 612 F CB 2.238 41.331 39.000 0.156 0.000 1.150 612 F HN 0.694 nan 8.300 nan 0.000 0.467 613 S N -1.149 114.708 115.700 0.262 0.000 2.483 613 S HA 0.026 4.496 4.470 -0.000 0.000 0.221 613 S C 0.623 175.303 174.600 0.133 0.000 1.030 613 S CA -0.056 58.232 58.200 0.147 0.000 0.925 613 S CB -0.394 62.861 63.200 0.091 0.000 0.795 613 S HN 0.530 nan 8.310 nan 0.000 0.511 614 T N 6.003 120.655 114.554 0.164 0.000 2.765 614 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 614 T C -2.077 172.697 174.700 0.123 0.000 0.946 614 T CA -0.683 61.485 62.100 0.113 0.000 1.185 614 T CB 0.558 69.482 68.868 0.093 0.000 0.887 614 T HN 0.407 nan 8.240 nan 0.000 0.532 615 P HA 0.616 nan 4.420 nan 0.000 0.293 615 P C -0.739 176.632 177.300 0.120 0.000 1.304 615 P CA -0.585 62.535 63.100 0.033 0.000 0.767 615 P CB 0.714 32.378 31.700 -0.059 0.000 1.247 616 F N -3.955 115.961 119.950 -0.057 0.000 2.773 616 F HA 0.633 5.160 4.527 -0.000 0.000 0.314 616 F C -1.252 174.492 175.800 -0.094 0.000 1.160 616 F CA -0.925 57.016 58.000 -0.097 0.000 0.920 616 F CB 0.656 39.559 39.000 -0.161 0.000 1.323 616 F HN 0.415 nan 8.300 nan 0.000 0.457 617 T N -1.048 113.552 114.554 0.077 0.000 2.932 617 T HA 0.699 5.049 4.350 -0.000 0.000 0.289 617 T C -0.750 174.014 174.700 0.107 0.000 1.039 617 T CA -0.606 61.514 62.100 0.033 0.000 1.024 617 T CB 1.448 70.360 68.868 0.074 0.000 1.090 617 T HN 0.502 nan 8.240 nan 0.000 0.496 618 F N 1.741 121.862 119.950 0.285 0.000 2.450 618 F HA 0.298 4.825 4.527 -0.000 0.000 0.339 618 F C 1.868 177.749 175.800 0.135 0.000 1.146 618 F CA -0.576 57.554 58.000 0.216 0.000 1.267 618 F CB 0.524 39.612 39.000 0.147 0.000 1.178 618 F HN 0.547 nan 8.300 nan 0.000 0.585 619 N N 0.181 119.054 118.700 0.289 0.000 2.207 619 N HA -0.064 4.675 4.740 -0.000 0.000 0.182 619 N C 0.239 175.836 175.510 0.144 0.000 1.020 619 N CA 0.761 53.912 53.050 0.168 0.000 0.858 619 N CB -0.011 38.549 38.487 0.122 0.000 0.991 619 N HN 0.645 nan 8.380 nan 0.000 0.427 620 Q N -1.463 118.427 119.800 0.151 0.000 2.693 620 Q HA 0.554 4.894 4.340 -0.000 0.000 0.306 620 Q C -0.113 175.917 176.000 0.049 0.000 0.969 620 Q CA -0.514 55.342 55.803 0.087 0.000 0.757 620 Q CB 0.990 29.762 28.738 0.057 0.000 1.494 620 Q HN -0.094 nan 8.270 nan 0.000 0.459 621 A N 0.282 123.109 122.820 0.013 0.000 1.933 621 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 621 A C 0.547 178.086 177.584 -0.075 0.000 1.175 621 A CA 1.525 53.542 52.037 -0.033 0.000 0.628 621 A CB -0.175 18.812 19.000 -0.022 0.000 0.814 621 A HN 0.554 nan 8.150 nan 0.000 0.444 622 Q N 0.737 120.510 119.800 -0.044 0.000 2.466 622 Q HA 0.460 4.800 4.340 -0.000 0.000 0.242 622 Q C -1.209 174.774 176.000 -0.029 0.000 1.046 622 Q CA -0.151 55.622 55.803 -0.051 0.000 0.841 622 Q CB 1.175 29.897 28.738 -0.026 0.000 1.193 622 Q HN 0.414 nan 8.270 nan 0.000 0.508 623 D N 0.163 120.525 120.400 -0.063 0.000 2.497 623 D HA 0.590 5.230 4.640 -0.000 0.000 0.243 623 D C -0.661 175.650 176.300 0.018 0.000 1.039 623 D CA -0.342 53.668 54.000 0.015 0.000 1.052 623 D CB 1.814 42.681 40.800 0.112 0.000 1.344 623 D HN 0.457 nan 8.370 nan 0.000 0.553 624 T N -1.206 113.403 114.554 0.092 0.000 2.916 624 T HA 0.723 5.073 4.350 -0.000 0.000 0.292 624 T C -0.908 173.869 174.700 0.129 0.000 1.055 624 T CA -0.752 61.395 62.100 0.079 0.000 1.009 624 T CB 1.618 70.520 68.868 0.056 0.000 1.118 624 T HN 0.149 nan 8.240 nan 0.000 0.497 625 L N 0.736 122.021 121.223 0.104 0.000 2.371 625 L HA 0.815 5.155 4.340 -0.000 0.000 0.262 625 L C -0.715 176.194 176.870 0.065 0.000 1.006 625 L CA -0.642 54.256 54.840 0.097 0.000 0.818 625 L CB 2.180 44.329 42.059 0.150 0.000 1.354 625 L HN 1.004 nan 8.230 nan 0.000 0.415 626 K N 3.203 123.627 120.400 0.039 0.000 2.557 626 K HA 0.568 4.888 4.320 -0.000 0.000 0.257 626 K C -1.945 174.677 176.600 0.036 0.000 0.933 626 K CA -0.611 55.704 56.287 0.046 0.000 0.820 626 K CB 1.628 34.149 32.500 0.034 0.000 1.330 626 K HN 0.397 nan 8.250 nan 0.000 0.432 627 I N 2.571 123.178 120.570 0.062 0.000 2.377 627 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 627 I C -0.273 175.850 176.117 0.010 0.000 0.987 627 I CA -0.589 60.744 61.300 0.055 0.000 1.185 627 I CB 1.495 39.554 38.000 0.098 0.000 1.341 627 I HN 0.515 nan 8.210 nan 0.000 0.455 628 S N 5.177 120.870 115.700 -0.011 0.000 2.473 628 S HA 0.718 5.188 4.470 -0.000 0.000 0.307 628 S C -0.270 174.296 174.600 -0.058 0.000 1.094 628 S CA -0.657 57.504 58.200 -0.065 0.000 1.070 628 S CB 2.335 65.518 63.200 -0.028 0.000 1.019 628 S HN 0.468 nan 8.310 nan 0.000 0.480 629 V N 1.690 121.490 119.914 -0.189 0.000 2.769 629 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 629 V C -0.500 175.632 176.094 0.064 0.000 1.061 629 V CA -0.811 61.474 62.300 -0.027 0.000 0.931 629 V CB 1.797 33.518 31.823 -0.169 0.000 1.010 629 V HN 0.924 nan 8.190 nan 0.000 0.433 630 R N 2.633 123.294 120.500 0.268 0.000 2.716 630 R HA 0.423 4.763 4.340 -0.000 0.000 0.271 630 R C -0.611 175.883 176.300 0.323 0.000 1.028 630 R CA -0.429 55.775 56.100 0.172 0.000 0.883 630 R CB 1.305 31.659 30.300 0.091 0.000 1.250 630 R HN 1.080 nan 8.270 nan 0.000 0.465 631 N N 1.451 120.265 118.700 0.189 0.000 2.708 631 N HA -0.199 4.540 4.740 -0.000 0.000 0.255 631 N C -1.423 174.299 175.510 0.353 0.000 1.046 631 N CA 0.656 53.821 53.050 0.193 0.000 0.715 631 N CB -1.101 37.458 38.487 0.119 0.000 0.895 631 N HN 0.460 nan 8.380 nan 0.000 0.545 632 F N 0.175 120.165 119.950 0.068 0.000 2.538 632 F HA -0.007 4.520 4.527 -0.000 0.000 0.371 632 F C 2.073 177.912 175.800 0.066 0.000 1.087 632 F CA -0.064 57.988 58.000 0.087 0.000 1.250 632 F CB 0.636 39.669 39.000 0.055 0.000 1.110 632 F HN 0.383 nan 8.300 nan 0.000 0.570 633 S N 1.009 116.832 115.700 0.205 0.000 2.500 633 S HA -0.086 4.384 4.470 -0.000 0.000 0.239 633 S C 0.468 175.137 174.600 0.116 0.000 0.989 633 S CA 0.549 58.822 58.200 0.122 0.000 0.951 633 S CB -0.040 63.206 63.200 0.077 0.000 0.759 633 S HN 0.498 nan 8.310 nan 0.000 0.523 634 S N -0.219 115.575 115.700 0.157 0.000 2.537 634 S HA 0.558 5.028 4.470 -0.000 0.000 0.271 634 S C -0.216 174.486 174.600 0.170 0.000 1.148 634 S CA -0.746 57.529 58.200 0.125 0.000 0.868 634 S CB 1.123 64.377 63.200 0.090 0.000 1.115 634 S HN 0.529 nan 8.310 nan 0.000 0.461 635 I N 1.281 121.921 120.570 0.116 0.000 4.009 635 I HA 0.517 4.687 4.170 -0.000 0.000 0.331 635 I C -0.004 176.160 176.117 0.078 0.000 1.462 635 I CA -0.474 60.889 61.300 0.105 0.000 1.117 635 I CB 0.506 38.538 38.000 0.053 0.000 1.091 635 I HN 0.256 nan 8.210 nan 0.000 0.410 636 V N 2.623 122.580 119.914 0.072 0.000 3.032 636 V HA 0.100 4.220 4.120 -0.000 0.000 0.307 636 V C 1.470 177.598 176.094 0.057 0.000 1.097 636 V CA 0.426 62.759 62.300 0.054 0.000 1.191 636 V CB 0.361 32.213 31.823 0.048 0.000 0.964 636 V HN 0.544 nan 8.190 nan 0.000 0.494 637 G N 1.919 110.746 108.800 0.045 0.000 2.248 637 G HA2 0.429 4.388 3.960 -0.000 0.000 0.260 637 G HA3 0.429 4.388 3.960 -0.000 0.000 0.260 637 G C 0.961 175.891 174.900 0.050 0.000 1.214 637 G CA 0.484 45.611 45.100 0.046 0.000 0.979 637 G HN 1.764 nan 8.290 nan 0.000 0.454 638 G N 1.440 110.275 108.800 0.059 0.000 2.296 638 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.188 638 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.188 638 G C 0.627 175.563 174.900 0.059 0.000 1.000 638 G CA 0.102 45.238 45.100 0.061 0.000 0.672 638 G HN 1.053 nan 8.290 nan 0.000 0.483 639 S N 0.255 116.001 115.700 0.077 0.000 2.546 639 S HA 0.467 4.937 4.470 -0.000 0.000 0.290 639 S C -0.041 174.613 174.600 0.089 0.000 1.262 639 S CA 0.721 58.981 58.200 0.099 0.000 1.083 639 S CB 1.745 65.057 63.200 0.187 0.000 0.859 639 S HN 1.316 nan 8.310 nan 0.000 0.495 640 V N 5.075 124.967 119.914 -0.036 0.000 2.924 640 V HA 0.422 4.542 4.120 -0.000 0.000 0.300 640 V C -1.324 174.577 176.094 -0.322 0.000 1.227 640 V CA -0.605 61.603 62.300 -0.153 0.000 0.954 640 V CB 2.263 33.942 31.823 -0.239 0.000 1.055 640 V HN 0.579 nan 8.190 nan 0.000 0.429 641 V N 7.200 126.897 119.914 -0.363 0.000 2.409 641 V HA 0.523 4.642 4.120 -0.000 0.000 0.291 641 V C -1.028 174.916 176.094 -0.251 0.000 1.020 641 V CA -0.643 61.418 62.300 -0.398 0.000 0.848 641 V CB 1.483 32.890 31.823 -0.693 0.000 0.990 641 V HN 0.784 nan 8.190 nan 0.000 0.430 642 Y N 4.719 125.031 120.300 0.019 0.000 2.326 642 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 642 Y C 0.342 176.327 175.900 0.141 0.000 1.023 642 Y CA -0.588 57.555 58.100 0.072 0.000 1.143 642 Y CB 1.225 39.730 38.460 0.075 0.000 1.183 642 Y HN 0.450 nan 8.280 nan 0.000 0.485 643 I N 3.236 123.986 120.570 0.299 0.000 2.339 643 I HA 0.144 4.313 4.170 -0.000 0.000 0.290 643 I C 0.252 176.497 176.117 0.212 0.000 0.994 643 I CA -0.320 61.144 61.300 0.272 0.000 1.191 643 I CB 1.640 39.811 38.000 0.285 0.000 1.343 643 I HN 0.691 nan 8.210 nan 0.000 0.458 644 D N 6.128 126.641 120.400 0.189 0.000 2.394 644 D HA 0.071 4.710 4.640 -0.000 0.000 0.237 644 D C 0.456 176.812 176.300 0.093 0.000 1.028 644 D CA 1.063 55.126 54.000 0.104 0.000 0.937 644 D CB 0.575 41.395 40.800 0.032 0.000 1.072 644 D HN 0.609 nan 8.370 nan 0.000 0.457 645 R N -0.903 119.672 120.500 0.125 0.000 2.710 645 R HA 0.572 4.912 4.340 -0.000 0.000 0.270 645 R C -1.210 175.203 176.300 0.190 0.000 1.021 645 R CA -0.844 55.336 56.100 0.133 0.000 0.889 645 R CB 0.741 31.109 30.300 0.112 0.000 1.243 645 R HN 0.002 nan 8.270 nan 0.000 0.464 646 I N 1.163 121.840 120.570 0.177 0.000 2.412 646 I HA 0.301 4.470 4.170 -0.000 0.000 0.296 646 I C -0.283 175.955 176.117 0.201 0.000 0.987 646 I CA -0.676 60.745 61.300 0.203 0.000 1.180 646 I CB 1.978 40.088 38.000 0.182 0.000 1.340 646 I HN 0.540 nan 8.210 nan 0.000 0.455 647 E N 6.508 126.835 120.200 0.213 0.000 2.187 647 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 647 E C -1.278 175.419 176.600 0.163 0.000 0.896 647 E CA -0.732 55.777 56.400 0.182 0.000 0.766 647 E CB 2.498 32.300 29.700 0.170 0.000 1.142 647 E HN 0.398 nan 8.360 nan 0.000 0.408 648 L N 4.065 125.389 121.223 0.168 0.000 2.296 648 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 648 L C -0.618 176.390 176.870 0.229 0.000 1.023 648 L CA -0.530 54.422 54.840 0.186 0.000 0.812 648 L CB 0.835 42.957 42.059 0.105 0.000 1.223 648 L HN 0.433 nan 8.230 nan 0.000 0.421 649 I N 5.138 125.849 120.570 0.235 0.000 2.410 649 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 649 I C -2.301 173.905 176.117 0.149 0.000 1.009 649 I CA -2.034 59.361 61.300 0.158 0.000 1.111 649 I CB 1.898 39.926 38.000 0.047 0.000 1.262 649 I HN 0.317 nan 8.210 nan 0.000 0.443 650 P HA 0.097 nan 4.420 nan 0.000 0.271 650 P C -0.675 176.535 177.300 -0.150 0.000 1.220 650 P CA -0.098 62.892 63.100 -0.184 0.000 0.768 650 P CB 0.702 32.319 31.700 -0.138 0.000 0.848 651 V N 5.167 124.951 119.914 -0.216 0.000 2.398 651 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 651 V C 0.335 176.345 176.094 -0.139 0.000 1.026 651 V CA -0.380 61.837 62.300 -0.137 0.000 0.868 651 V CB 1.145 32.895 31.823 -0.121 0.000 0.982 651 V HN 0.542 nan 8.190 nan 0.000 0.443 652 N N 0.000 118.645 118.700 -0.092 0.000 1.763 652 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 652 N CA 0.000 53.004 53.050 -0.077 0.000 0.885 652 N CB 0.000 38.449 38.487 -0.063 0.000 1.341 652 N HN 0.000 nan 8.380 nan 0.000 0.667