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 1r9n_1_C DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.351 176.300 0.086 0.000 0.893 40 R CA 0.000 56.147 56.100 0.079 0.000 0.921 40 R CB 0.000 30.339 30.300 0.065 0.000 0.687 41 K N 1.823 122.278 120.400 0.093 0.000 2.123 41 K HA 0.479 4.800 4.320 0.000 0.000 0.248 41 K C -0.034 176.634 176.600 0.114 0.000 0.969 41 K CA -0.224 56.128 56.287 0.107 0.000 0.882 41 K CB 1.737 34.315 32.500 0.130 0.000 1.080 41 K HN 0.225 nan 8.250 nan 0.000 0.441 42 T N -2.199 112.432 114.554 0.129 0.000 2.944 42 T HA 0.231 4.581 4.350 0.000 0.000 0.284 42 T C -0.688 174.140 174.700 0.214 0.000 1.010 42 T CA -0.712 61.477 62.100 0.148 0.000 1.025 42 T CB 0.483 69.434 68.868 0.139 0.000 1.079 42 T HN 0.467 nan 8.240 nan 0.000 0.516 43 Y N 2.853 123.215 120.300 0.104 0.000 2.584 43 Y HA 0.350 4.900 4.550 0.000 0.000 0.351 43 Y C 1.001 177.056 175.900 0.259 0.000 1.030 43 Y CA -0.189 58.014 58.100 0.170 0.000 1.332 43 Y CB -0.180 38.333 38.460 0.089 0.000 1.148 43 Y HN 1.010 nan 8.280 nan 0.000 0.528 44 T N 2.380 116.928 114.554 -0.010 0.000 2.881 44 T HA 0.139 4.490 4.350 0.000 0.000 0.278 44 T C 0.962 175.574 174.700 -0.148 0.000 0.982 44 T CA -0.741 61.396 62.100 0.062 0.000 0.989 44 T CB 1.284 70.153 68.868 0.002 0.000 1.058 44 T HN 0.703 nan 8.240 nan 0.000 0.529 45 L N 0.970 121.926 121.223 -0.446 0.000 2.083 45 L HA 0.008 4.348 4.340 0.000 0.000 0.209 45 L C 2.604 179.339 176.870 -0.226 0.000 1.083 45 L CA 2.110 56.590 54.840 -0.599 0.000 0.752 45 L CB -1.339 40.227 42.059 -0.823 0.000 0.899 45 L HN 0.954 nan 8.230 nan 0.000 0.433 46 T N -0.634 113.805 114.554 -0.192 0.000 2.821 46 T HA -0.149 4.201 4.350 0.000 0.000 0.267 46 T C 1.476 176.083 174.700 -0.156 0.000 1.046 46 T CA 1.353 63.370 62.100 -0.140 0.000 1.139 46 T CB -0.387 68.421 68.868 -0.101 0.000 0.871 46 T HN 0.415 nan 8.240 nan 0.000 0.454 47 D N 0.370 120.644 120.400 -0.211 0.000 2.092 47 D HA -0.122 4.519 4.640 0.000 0.000 0.193 47 D C 1.793 177.986 176.300 -0.178 0.000 0.994 47 D CA 1.210 55.046 54.000 -0.274 0.000 0.828 47 D CB -0.509 40.028 40.800 -0.438 0.000 0.963 47 D HN 0.377 nan 8.370 nan 0.000 0.450 48 Y N 1.747 121.864 120.300 -0.306 0.000 2.053 48 Y HA -0.198 4.352 4.550 0.000 0.000 0.277 48 Y C 2.312 178.218 175.900 0.011 0.000 1.159 48 Y CA 1.416 59.517 58.100 0.002 0.000 1.125 48 Y CB -0.727 37.801 38.460 0.113 0.000 0.969 48 Y HN -0.080 nan 8.280 nan 0.000 0.492 49 L N -0.409 120.641 121.223 -0.290 0.000 2.141 49 L HA -0.150 4.191 4.340 0.000 0.000 0.209 49 L C 1.731 178.492 176.870 -0.182 0.000 1.094 49 L CA 1.421 56.069 54.840 -0.320 0.000 0.763 49 L CB -0.395 41.550 42.059 -0.189 0.000 0.908 49 L HN 0.041 nan 8.230 nan 0.000 0.437 50 K N -0.189 120.126 120.400 -0.141 0.000 2.387 50 K HA 0.070 4.390 4.320 0.000 0.000 0.198 50 K C 0.290 176.833 176.600 -0.095 0.000 1.022 50 K CA -0.125 56.100 56.287 -0.104 0.000 1.128 50 K CB -0.187 32.255 32.500 -0.096 0.000 0.853 50 K HN 0.049 nan 8.250 nan 0.000 0.523 51 N N 0.150 118.797 118.700 -0.088 0.000 2.725 51 N HA -0.198 4.543 4.740 0.000 0.000 0.251 51 N C -0.021 175.469 175.510 -0.034 0.000 1.031 51 N CA 1.102 54.137 53.050 -0.024 0.000 0.720 51 N CB -1.490 36.977 38.487 -0.033 0.000 0.930 51 N HN 0.170 nan 8.380 nan 0.000 0.543 52 T N -0.521 113.970 114.554 -0.105 0.000 2.777 52 T HA -0.114 4.237 4.350 0.000 0.000 0.266 52 T C 0.250 174.763 174.700 -0.312 0.000 1.040 52 T CA 1.436 63.366 62.100 -0.282 0.000 1.141 52 T CB -0.178 68.390 68.868 -0.499 0.000 0.868 52 T HN 0.421 nan 8.240 nan 0.000 0.444 53 Y N 1.962 122.344 120.300 0.136 0.000 2.931 53 Y HA 0.474 5.025 4.550 0.000 0.000 0.330 53 Y C 0.458 176.462 175.900 0.173 0.000 1.115 53 Y CA -1.172 57.034 58.100 0.177 0.000 1.283 53 Y CB -0.023 38.602 38.460 0.276 0.000 1.215 53 Y HN -0.074 nan 8.280 nan 0.000 0.534 54 R N 1.606 122.232 120.500 0.211 0.000 2.491 54 R HA 0.309 4.649 4.340 0.000 0.000 0.283 54 R C -0.885 175.522 176.300 0.178 0.000 1.072 54 R CA -0.609 55.588 56.100 0.162 0.000 1.048 54 R CB 0.425 30.779 30.300 0.090 0.000 0.983 54 R HN 0.447 nan 8.270 nan 0.000 0.450 55 L N 4.959 126.288 121.223 0.176 0.000 2.369 55 L HA 0.162 4.502 4.340 0.000 0.000 0.279 55 L C 0.195 177.138 176.870 0.122 0.000 1.108 55 L CA 0.678 55.620 54.840 0.170 0.000 0.852 55 L CB 0.749 42.925 42.059 0.195 0.000 1.169 55 L HN 0.532 nan 8.230 nan 0.000 0.452 56 K N 3.207 123.671 120.400 0.107 0.000 2.326 56 K HA 0.342 4.663 4.320 0.000 0.000 0.275 56 K C -0.462 176.166 176.600 0.047 0.000 1.018 56 K CA -0.606 55.721 56.287 0.067 0.000 0.962 56 K CB 0.900 33.439 32.500 0.064 0.000 0.953 56 K HN 0.241 nan 8.250 nan 0.000 0.475 57 L N 1.591 122.790 121.223 -0.040 0.000 2.391 57 L HA 0.418 4.758 4.340 0.000 0.000 0.266 57 L C -0.887 175.748 176.870 -0.391 0.000 1.035 57 L CA -0.494 54.219 54.840 -0.210 0.000 0.877 57 L CB 0.262 42.265 42.059 -0.094 0.000 1.504 57 L HN 0.523 nan 8.230 nan 0.000 0.503 58 Y N -0.023 119.797 120.300 -0.800 0.000 2.532 58 Y HA 0.315 4.865 4.550 0.000 0.000 0.318 58 Y C -0.533 175.204 175.900 -0.273 0.000 1.138 58 Y CA -0.439 57.367 58.100 -0.490 0.000 1.306 58 Y CB 1.000 39.030 38.460 -0.716 0.000 1.106 58 Y HN 0.408 nan 8.280 nan 0.000 0.588 59 S N 4.777 120.437 115.700 -0.067 0.000 2.465 59 S HA 0.697 5.167 4.470 0.000 0.000 0.279 59 S C -0.693 173.915 174.600 0.014 0.000 1.201 59 S CA -0.429 57.766 58.200 -0.007 0.000 1.053 59 S CB -0.277 62.911 63.200 -0.020 0.000 0.953 59 S HN 0.562 nan 8.310 nan 0.000 0.488 60 L N 3.238 124.436 121.223 -0.042 0.000 2.301 60 L HA 0.817 5.157 4.340 0.000 0.000 0.264 60 L C -0.553 176.249 176.870 -0.113 0.000 1.016 60 L CA -0.901 53.870 54.840 -0.116 0.000 0.821 60 L CB 1.474 43.209 42.059 -0.540 0.000 1.346 60 L HN 0.505 nan 8.230 nan 0.000 0.429 61 R N 0.765 121.226 120.500 -0.066 0.000 2.476 61 R HA 0.397 4.738 4.340 0.000 0.000 0.305 61 R C -1.774 174.540 176.300 0.024 0.000 0.965 61 R CA -0.284 55.817 56.100 0.002 0.000 0.867 61 R CB 1.371 31.708 30.300 0.061 0.000 1.176 61 R HN 0.687 nan 8.270 nan 0.000 0.447 62 W N 4.493 125.885 121.300 0.153 0.000 2.303 62 W HA 0.143 4.803 4.660 0.000 0.000 0.318 62 W C 1.485 178.075 176.519 0.118 0.000 1.362 62 W CA -0.418 57.023 57.345 0.160 0.000 1.234 62 W CB 0.491 30.040 29.460 0.148 0.000 1.248 62 W HN 0.666 nan 8.180 nan 0.000 0.546 63 I N 0.030 120.810 120.570 0.350 0.000 3.616 63 I HA 0.196 4.366 4.170 0.000 0.000 0.296 63 I C 1.044 177.268 176.117 0.179 0.000 1.226 63 I CA 0.111 61.528 61.300 0.194 0.000 1.394 63 I CB -0.021 38.028 38.000 0.083 0.000 1.171 63 I HN 0.268 nan 8.210 nan 0.000 0.442 64 S N -0.114 115.721 115.700 0.226 0.000 3.331 64 S HA 0.363 4.833 4.470 0.000 0.000 0.316 64 S C 0.144 174.802 174.600 0.098 0.000 1.104 64 S CA -0.053 58.229 58.200 0.137 0.000 0.977 64 S CB 1.247 64.519 63.200 0.120 0.000 1.370 64 S HN 0.123 nan 8.310 nan 0.000 0.731 65 D N -1.015 119.328 120.400 -0.095 0.000 2.349 65 D HA 0.281 4.922 4.640 0.000 0.000 0.214 65 D C 0.796 176.974 176.300 -0.203 0.000 1.063 65 D CA 0.536 54.391 54.000 -0.242 0.000 0.847 65 D CB -0.011 40.572 40.800 -0.362 0.000 0.933 65 D HN 0.656 nan 8.370 nan 0.000 0.513 66 H N -1.612 117.597 119.070 0.232 0.000 3.440 66 H HA 0.416 4.972 4.556 0.000 0.000 0.259 66 H C -0.142 175.295 175.328 0.181 0.000 1.120 66 H CA -0.232 55.908 56.048 0.152 0.000 1.191 66 H CB 1.108 30.952 29.762 0.137 0.000 1.537 66 H HN -0.053 nan 8.280 nan 0.000 0.547 67 E N 0.833 121.282 120.200 0.415 0.000 2.288 67 E HA 0.344 4.694 4.350 0.000 0.000 0.268 67 E C -1.503 175.326 176.600 0.381 0.000 0.885 67 E CA -1.164 55.413 56.400 0.295 0.000 0.767 67 E CB 2.579 32.376 29.700 0.161 0.000 1.220 67 E HN 0.226 nan 8.360 nan 0.000 0.427 68 Y N -0.186 120.128 120.300 0.022 0.000 2.576 68 Y HA 0.675 5.225 4.550 0.000 0.000 0.346 68 Y C -1.547 174.318 175.900 -0.058 0.000 1.018 68 Y CA -1.357 56.625 58.100 -0.196 0.000 1.050 68 Y CB 0.908 38.871 38.460 -0.827 0.000 1.280 68 Y HN 0.341 nan 8.280 nan 0.000 0.474 69 L N 3.344 124.649 121.223 0.138 0.000 2.322 69 L HA 0.509 4.849 4.340 0.000 0.000 0.279 69 L C -1.235 175.823 176.870 0.313 0.000 1.036 69 L CA -0.952 53.968 54.840 0.134 0.000 0.807 69 L CB 1.587 43.651 42.059 0.009 0.000 1.226 69 L HN 0.795 nan 8.230 nan 0.000 0.433 70 Y N 2.267 122.656 120.300 0.148 0.000 2.534 70 Y HA 0.371 4.921 4.550 0.000 0.000 0.345 70 Y C -1.070 174.872 175.900 0.070 0.000 1.031 70 Y CA -1.308 56.831 58.100 0.065 0.000 1.022 70 Y CB 1.842 40.290 38.460 -0.020 0.000 1.292 70 Y HN 0.355 nan 8.280 nan 0.000 0.459 71 K N 4.796 124.789 120.400 -0.680 0.000 2.292 71 K HA 0.173 4.494 4.320 0.000 0.000 0.270 71 K C -0.120 176.011 176.600 -0.782 0.000 1.062 71 K CA -0.371 55.604 56.287 -0.520 0.000 0.916 71 K CB 2.008 34.328 32.500 -0.300 0.000 1.166 71 K HN 0.839 nan 8.250 nan 0.000 0.458 72 Q N 2.229 121.812 119.800 -0.361 0.000 1.940 72 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 72 Q C -0.280 175.650 176.000 -0.117 0.000 0.977 72 Q CA 1.252 56.958 55.803 -0.161 0.000 0.841 72 Q CB 0.521 29.314 28.738 0.092 0.000 0.901 72 Q HN 0.474 nan 8.270 nan 0.000 0.446 73 E N 0.360 120.519 120.200 -0.068 0.000 3.037 73 E HA 0.215 4.565 4.350 0.000 0.000 0.220 73 E C -0.946 175.617 176.600 -0.062 0.000 1.142 73 E CA -0.193 56.174 56.400 -0.056 0.000 0.888 73 E CB 0.624 30.308 29.700 -0.027 0.000 1.329 73 E HN 0.359 nan 8.360 nan 0.000 0.409 74 N N 0.270 118.922 118.700 -0.080 0.000 2.922 74 N HA -0.243 4.498 4.740 0.000 0.000 0.224 74 N C -0.407 175.056 175.510 -0.079 0.000 0.833 74 N CA 1.362 54.368 53.050 -0.072 0.000 1.103 74 N CB -1.145 37.311 38.487 -0.051 0.000 1.000 74 N HN 0.424 nan 8.380 nan 0.000 0.621 75 N N 0.688 119.344 118.700 -0.073 0.000 2.479 75 N HA 0.288 5.029 4.740 0.000 0.000 0.257 75 N C 0.088 175.559 175.510 -0.064 0.000 1.232 75 N CA 0.195 53.206 53.050 -0.065 0.000 0.920 75 N CB 0.760 39.222 38.487 -0.042 0.000 1.105 75 N HN 0.226 nan 8.380 nan 0.000 0.444 76 I N 2.526 123.069 120.570 -0.045 0.000 2.312 76 I HA 0.208 4.379 4.170 0.000 0.000 0.290 76 I C -0.797 175.389 176.117 0.116 0.000 1.008 76 I CA -0.593 60.712 61.300 0.008 0.000 1.226 76 I CB 0.645 38.623 38.000 -0.036 0.000 1.371 76 I HN 0.207 nan 8.210 nan 0.000 0.468 77 L N 7.177 128.492 121.223 0.153 0.000 2.331 77 L HA 0.533 4.873 4.340 0.000 0.000 0.275 77 L C -0.277 176.683 176.870 0.148 0.000 1.022 77 L CA -0.615 54.305 54.840 0.135 0.000 0.812 77 L CB 1.851 43.990 42.059 0.134 0.000 1.257 77 L HN 0.259 nan 8.230 nan 0.000 0.435 78 V N 3.000 122.917 119.914 0.006 0.000 2.435 78 V HA 0.563 4.683 4.120 0.000 0.000 0.290 78 V C -0.923 175.032 176.094 -0.231 0.000 1.030 78 V CA -0.277 61.992 62.300 -0.052 0.000 0.881 78 V CB 1.190 32.997 31.823 -0.027 0.000 0.983 78 V HN 0.493 nan 8.190 nan 0.000 0.445 79 F N 4.839 124.527 119.950 -0.436 0.000 2.507 79 F HA 0.522 5.049 4.527 0.000 0.000 0.327 79 F C 0.428 175.992 175.800 -0.395 0.000 1.068 79 F CA -0.627 57.055 58.000 -0.530 0.000 0.965 79 F CB 1.623 39.977 39.000 -1.077 0.000 1.192 79 F HN 0.461 nan 8.300 nan 0.000 0.476 80 N N 1.208 119.880 118.700 -0.047 0.000 2.425 80 N HA 0.331 5.071 4.740 0.000 0.000 0.268 80 N C 0.346 175.842 175.510 -0.024 0.000 0.991 80 N CA 0.070 53.117 53.050 -0.004 0.000 0.931 80 N CB 1.936 40.470 38.487 0.079 0.000 1.130 80 N HN 0.771 nan 8.380 nan 0.000 0.493 81 A N 3.582 126.335 122.820 -0.111 0.000 1.930 81 A HA -0.149 4.172 4.320 0.000 0.000 0.217 81 A C 1.867 179.265 177.584 -0.310 0.000 1.175 81 A CA 1.459 53.363 52.037 -0.222 0.000 0.627 81 A CB -0.362 18.264 19.000 -0.622 0.000 0.815 81 A HN 0.818 nan 8.150 nan 0.000 0.443 82 E N -1.519 118.434 120.200 -0.411 0.000 2.072 82 E HA -0.155 4.195 4.350 0.000 0.000 0.191 82 E C 1.332 177.605 176.600 -0.546 0.000 0.985 82 E CA 1.853 57.948 56.400 -0.508 0.000 0.801 82 E CB -0.193 28.985 29.700 -0.871 0.000 0.750 82 E HN 0.754 nan 8.360 nan 0.000 0.452 83 Y N -3.079 117.227 120.300 0.009 0.000 2.673 83 Y HA 0.433 4.983 4.550 0.000 0.000 0.278 83 Y C 1.645 177.557 175.900 0.020 0.000 1.127 83 Y CA 0.188 58.295 58.100 0.012 0.000 1.261 83 Y CB 0.775 39.236 38.460 0.000 0.000 1.412 83 Y HN 0.112 nan 8.280 nan 0.000 0.496 84 G N 0.506 109.414 108.800 0.180 0.000 2.205 84 G HA2 -0.267 3.693 3.960 0.000 0.000 0.180 84 G HA3 -0.267 3.693 3.960 0.000 0.000 0.180 84 G C -0.100 174.841 174.900 0.069 0.000 1.004 84 G CA -0.218 44.984 45.100 0.169 0.000 0.670 84 G HN 0.385 nan 8.290 nan 0.000 0.496 85 N N 1.450 120.180 118.700 0.050 0.000 2.291 85 N HA 0.240 4.980 4.740 0.000 0.000 0.281 85 N C 0.502 175.886 175.510 -0.210 0.000 1.388 85 N CA 0.786 53.805 53.050 -0.052 0.000 0.920 85 N CB 0.063 38.550 38.487 0.001 0.000 1.276 85 N HN 0.501 nan 8.380 nan 0.000 0.493 86 S N 1.980 117.474 115.700 -0.344 0.000 2.530 86 S HA 0.409 4.879 4.470 0.000 0.000 0.322 86 S C -0.280 174.114 174.600 -0.343 0.000 1.085 86 S CA -1.004 56.830 58.200 -0.611 0.000 1.096 86 S CB 1.476 63.926 63.200 -1.250 0.000 0.988 86 S HN 0.453 nan 8.310 nan 0.000 0.466 87 S N 1.985 117.534 115.700 -0.251 0.000 2.501 87 S HA 0.597 5.068 4.470 0.000 0.000 0.301 87 S C -0.152 174.388 174.600 -0.101 0.000 1.096 87 S CA -0.900 57.215 58.200 -0.141 0.000 1.063 87 S CB 1.080 64.228 63.200 -0.085 0.000 1.042 87 S HN 0.649 nan 8.310 nan 0.000 0.494 88 V N 4.496 124.365 119.914 -0.076 0.000 2.434 88 V HA 0.018 4.138 4.120 0.000 0.000 0.281 88 V C 0.938 177.035 176.094 0.005 0.000 1.005 88 V CA 0.195 62.473 62.300 -0.037 0.000 1.089 88 V CB -1.139 30.649 31.823 -0.059 0.000 0.978 88 V HN 0.968 nan 8.190 nan 0.000 0.474 89 F N 5.678 125.579 119.950 -0.082 0.000 2.234 89 F HA 0.223 4.751 4.527 0.000 0.000 0.296 89 F C 0.620 176.378 175.800 -0.070 0.000 1.089 89 F CA 1.058 59.021 58.000 -0.061 0.000 1.343 89 F CB 0.454 39.434 39.000 -0.033 0.000 1.040 89 F HN 0.370 nan 8.300 nan 0.000 0.498 90 L N 0.793 121.978 121.223 -0.062 0.000 2.543 90 L HA 0.260 4.601 4.340 0.000 0.000 0.265 90 L C -0.672 176.119 176.870 -0.133 0.000 0.945 90 L CA -0.520 54.211 54.840 -0.182 0.000 0.869 90 L CB 1.602 43.590 42.059 -0.118 0.000 1.294 90 L HN -0.074 nan 8.230 nan 0.000 0.405 91 E N 1.824 121.913 120.200 -0.185 0.000 2.366 91 E HA 0.072 4.422 4.350 0.000 0.000 0.266 91 E C 0.387 176.890 176.600 -0.162 0.000 1.051 91 E CA -0.250 56.055 56.400 -0.158 0.000 0.884 91 E CB 0.944 30.544 29.700 -0.167 0.000 1.006 91 E HN 0.698 nan 8.360 nan 0.000 0.417 92 N N 1.112 119.741 118.700 -0.117 0.000 2.396 92 N HA -0.096 4.644 4.740 0.000 0.000 0.180 92 N C 0.427 175.877 175.510 -0.100 0.000 1.028 92 N CA 0.591 53.584 53.050 -0.094 0.000 0.893 92 N CB 0.164 38.609 38.487 -0.068 0.000 0.967 92 N HN 0.033 nan 8.380 nan 0.000 0.440 93 S N -0.449 115.174 115.700 -0.128 0.000 2.526 93 S HA 0.182 4.652 4.470 0.000 0.000 0.247 93 S C 0.585 175.064 174.600 -0.203 0.000 1.076 93 S CA -0.399 57.725 58.200 -0.127 0.000 1.105 93 S CB 0.135 63.275 63.200 -0.100 0.000 0.793 93 S HN 0.416 nan 8.310 nan 0.000 0.458 94 T N 0.204 114.562 114.554 -0.327 0.000 3.039 94 T HA 0.210 4.561 4.350 0.000 0.000 0.250 94 T C 0.382 174.625 174.700 -0.762 0.000 1.052 94 T CA 0.506 62.222 62.100 -0.640 0.000 1.125 94 T CB -0.083 68.177 68.868 -1.013 0.000 0.908 94 T HN 0.432 nan 8.240 nan 0.000 0.473 95 F N 1.743 121.599 119.950 -0.157 0.000 2.805 95 F HA 0.296 4.824 4.527 0.000 0.000 0.317 95 F C 0.523 176.312 175.800 -0.018 0.000 1.146 95 F CA -1.395 56.525 58.000 -0.133 0.000 1.265 95 F CB 0.021 38.843 39.000 -0.297 0.000 0.992 95 F HN 0.081 nan 8.300 nan 0.000 0.511 96 D N -0.793 119.656 120.400 0.081 0.000 2.355 96 D HA -0.081 4.559 4.640 0.000 0.000 0.218 96 D C 0.821 177.162 176.300 0.070 0.000 1.004 96 D CA 0.615 54.655 54.000 0.066 0.000 0.880 96 D CB -0.220 40.587 40.800 0.012 0.000 0.911 96 D HN 0.326 nan 8.370 nan 0.000 0.528 97 E N -0.967 119.287 120.200 0.090 0.000 2.411 97 E HA 0.123 4.473 4.350 0.000 0.000 0.204 97 E C -0.085 176.625 176.600 0.182 0.000 1.059 97 E CA -0.325 56.127 56.400 0.087 0.000 1.112 97 E CB 0.048 29.776 29.700 0.047 0.000 1.168 97 E HN 0.214 nan 8.360 nan 0.000 0.445 98 F N -0.121 119.848 119.950 0.032 0.000 2.559 98 F HA 0.245 4.772 4.527 0.000 0.000 0.286 98 F C 1.741 177.506 175.800 -0.058 0.000 1.108 98 F CA 1.275 59.292 58.000 0.029 0.000 1.436 98 F CB 0.627 39.658 39.000 0.052 0.000 1.130 98 F HN 0.185 nan 8.300 nan 0.000 0.584 99 G N -0.441 108.294 108.800 -0.109 0.000 2.284 99 G HA2 -0.244 3.716 3.960 0.000 0.000 0.247 99 G HA3 -0.244 3.716 3.960 0.000 0.000 0.247 99 G C 0.334 174.948 174.900 -0.477 0.000 1.012 99 G CA 0.386 45.288 45.100 -0.330 0.000 0.618 99 G HN 0.504 nan 8.290 nan 0.000 0.521 100 H N 0.245 119.178 119.070 -0.227 0.000 2.529 100 H HA 0.610 5.167 4.556 0.000 0.000 0.348 100 H C -0.338 175.063 175.328 0.121 0.000 1.152 100 H CA 0.108 56.094 56.048 -0.103 0.000 1.202 100 H CB 1.760 31.289 29.762 -0.389 0.000 1.562 100 H HN 0.156 nan 8.280 nan 0.000 0.515 101 S N 2.813 118.645 115.700 0.221 0.000 2.448 101 S HA 0.213 4.684 4.470 0.000 0.000 0.279 101 S C 0.326 175.027 174.600 0.170 0.000 1.195 101 S CA -0.768 57.529 58.200 0.161 0.000 1.051 101 S CB -0.791 62.475 63.200 0.109 0.000 0.948 101 S HN 0.357 nan 8.310 nan 0.000 0.493 102 I N 5.323 125.953 120.570 0.099 0.000 2.556 102 I HA 0.122 4.292 4.170 0.000 0.000 0.284 102 I C 1.415 177.552 176.117 0.033 0.000 1.114 102 I CA -0.235 61.086 61.300 0.035 0.000 1.418 102 I CB 0.577 38.506 38.000 -0.119 0.000 1.394 102 I HN 0.686 nan 8.210 nan 0.000 0.552 103 N N 2.995 121.711 118.700 0.026 0.000 2.428 103 N HA 0.005 4.745 4.740 0.000 0.000 0.181 103 N C -0.205 175.272 175.510 -0.056 0.000 1.028 103 N CA 0.680 53.705 53.050 -0.042 0.000 0.877 103 N CB 0.506 38.941 38.487 -0.086 0.000 1.064 103 N HN 0.718 nan 8.380 nan 0.000 0.434 104 D N -2.063 118.328 120.400 -0.015 0.000 2.583 104 D HA 0.215 4.855 4.640 0.000 0.000 0.248 104 D C -1.630 174.737 176.300 0.112 0.000 1.209 104 D CA -0.588 53.420 54.000 0.013 0.000 0.848 104 D CB 1.013 41.777 40.800 -0.060 0.000 1.431 104 D HN 0.132 nan 8.370 nan 0.000 0.436 105 Y N -0.911 119.407 120.300 0.030 0.000 2.536 105 Y HA 0.765 5.315 4.550 0.000 0.000 0.347 105 Y C -0.923 175.059 175.900 0.136 0.000 1.000 105 Y CA -1.092 57.049 58.100 0.068 0.000 1.051 105 Y CB 1.855 40.341 38.460 0.045 0.000 1.259 105 Y HN 0.129 nan 8.280 nan 0.000 0.468 106 S N 3.452 119.323 115.700 0.284 0.000 2.733 106 S HA 0.618 5.089 4.470 0.000 0.000 0.294 106 S C -1.334 173.580 174.600 0.524 0.000 1.149 106 S CA -0.537 57.846 58.200 0.306 0.000 1.034 106 S CB 0.191 63.554 63.200 0.272 0.000 1.015 106 S HN 0.674 nan 8.310 nan 0.000 0.486 107 I N 4.444 125.244 120.570 0.383 0.000 2.365 107 I HA 0.278 4.448 4.170 0.000 0.000 0.291 107 I C 0.819 176.888 176.117 -0.079 0.000 1.004 107 I CA -0.256 61.194 61.300 0.250 0.000 1.311 107 I CB 1.768 39.909 38.000 0.236 0.000 1.401 107 I HN 0.752 nan 8.210 nan 0.000 0.491 108 S N 6.111 121.475 115.700 -0.560 0.000 2.560 108 S HA 0.155 4.625 4.470 0.000 0.000 0.284 108 S C -1.809 172.539 174.600 -0.420 0.000 1.327 108 S CA -0.904 56.591 58.200 -1.175 0.000 1.055 108 S CB 0.656 62.946 63.200 -1.516 0.000 0.868 108 S HN 0.412 nan 8.310 nan 0.000 0.506 109 P HA -0.185 nan 4.420 nan 0.000 0.216 109 P C 1.004 178.267 177.300 -0.061 0.000 1.154 109 P CA 1.752 64.788 63.100 -0.107 0.000 0.865 109 P CB -0.134 31.513 31.700 -0.087 0.000 0.789 110 D N -1.774 118.586 120.400 -0.067 0.000 2.363 110 D HA 0.024 4.664 4.640 0.000 0.000 0.220 110 D C 1.300 177.611 176.300 0.018 0.000 0.994 110 D CA 0.944 54.944 54.000 0.000 0.000 0.890 110 D CB -1.159 39.666 40.800 0.043 0.000 0.906 110 D HN 0.242 nan 8.370 nan 0.000 0.530 111 G N 0.323 109.117 108.800 -0.009 0.000 2.160 111 G HA2 -0.350 3.610 3.960 0.000 0.000 0.244 111 G HA3 -0.350 3.610 3.960 0.000 0.000 0.244 111 G C 0.744 175.661 174.900 0.027 0.000 1.022 111 G CA 0.463 45.592 45.100 0.048 0.000 0.741 111 G HN 0.460 nan 8.290 nan 0.000 0.508 112 Q N -1.790 117.981 119.800 -0.047 0.000 2.391 112 Q HA 0.410 4.750 4.340 0.000 0.000 0.211 112 Q C 0.228 175.901 176.000 -0.545 0.000 0.908 112 Q CA 0.587 56.239 55.803 -0.253 0.000 0.920 112 Q CB 0.548 29.154 28.738 -0.219 0.000 1.056 112 Q HN 0.552 nan 8.270 nan 0.000 0.523 113 F N -0.343 119.532 119.950 -0.125 0.000 2.588 113 F HA 0.495 5.022 4.527 0.000 0.000 0.314 113 F C -0.683 175.175 175.800 0.097 0.000 1.069 113 F CA -1.145 56.834 58.000 -0.036 0.000 0.931 113 F CB 1.906 40.858 39.000 -0.080 0.000 1.260 113 F HN -0.202 nan 8.300 nan 0.000 0.465 114 I N 3.483 124.346 120.570 0.488 0.000 2.466 114 I HA 0.475 4.646 4.170 0.000 0.000 0.289 114 I C -1.725 174.711 176.117 0.531 0.000 1.026 114 I CA -0.992 60.604 61.300 0.493 0.000 1.078 114 I CB 1.254 39.503 38.000 0.414 0.000 1.249 114 I HN 0.510 nan 8.210 nan 0.000 0.429 115 L N 8.299 129.875 121.223 0.589 0.000 2.371 115 L HA 0.510 4.851 4.340 0.000 0.000 0.272 115 L C -1.268 175.767 176.870 0.276 0.000 1.124 115 L CA 0.117 55.191 54.840 0.389 0.000 0.816 115 L CB 1.074 43.276 42.059 0.238 0.000 1.129 115 L HN 0.531 nan 8.230 nan 0.000 0.448 116 L N 4.717 126.062 121.223 0.204 0.000 2.356 116 L HA 0.505 4.845 4.340 0.000 0.000 0.277 116 L C -0.441 176.526 176.870 0.163 0.000 0.996 116 L CA -0.502 54.385 54.840 0.078 0.000 0.822 116 L CB 1.815 43.732 42.059 -0.236 0.000 1.256 116 L HN 0.605 nan 8.230 nan 0.000 0.413 117 E N 3.572 123.819 120.200 0.077 0.000 2.134 117 E HA 0.442 4.793 4.350 0.000 0.000 0.278 117 E C -1.683 174.915 176.600 -0.002 0.000 0.959 117 E CA -0.512 55.795 56.400 -0.154 0.000 0.783 117 E CB 1.109 30.757 29.700 -0.087 0.000 1.095 117 E HN 0.440 nan 8.360 nan 0.000 0.399 118 Y N 1.571 121.721 120.300 -0.249 0.000 2.677 118 Y HA 0.444 4.994 4.550 0.000 0.000 0.334 118 Y C -0.267 175.562 175.900 -0.118 0.000 1.154 118 Y CA -1.742 56.296 58.100 -0.103 0.000 1.070 118 Y CB 0.534 38.998 38.460 0.007 0.000 1.294 118 Y HN 0.456 nan 8.280 nan 0.000 0.475 119 N N 0.056 118.779 118.700 0.037 0.000 2.714 119 N HA -0.299 4.441 4.740 0.000 0.000 0.253 119 N C -1.178 174.306 175.510 -0.044 0.000 1.024 119 N CA 0.978 54.010 53.050 -0.030 0.000 0.726 119 N CB -1.500 36.904 38.487 -0.138 0.000 0.908 119 N HN 0.856 nan 8.380 nan 0.000 0.542 120 Y N 0.055 120.291 120.300 -0.107 0.000 2.569 120 Y HA 0.318 4.868 4.550 0.000 0.000 0.332 120 Y C -0.092 175.771 175.900 -0.062 0.000 1.120 120 Y CA -0.201 57.827 58.100 -0.119 0.000 1.416 120 Y CB 0.708 39.044 38.460 -0.206 0.000 1.210 120 Y HN 0.030 nan 8.280 nan 0.000 0.528 121 V N 8.202 127.797 119.914 -0.531 0.000 2.409 121 V HA 0.207 4.327 4.120 0.000 0.000 0.290 121 V C -0.235 175.471 176.094 -0.647 0.000 1.017 121 V CA -1.372 60.627 62.300 -0.501 0.000 0.841 121 V CB 1.234 32.922 31.823 -0.225 0.000 1.003 121 V HN 0.733 nan 8.190 nan 0.000 0.426 122 K N 3.889 123.838 120.400 -0.752 0.000 2.401 122 K HA 0.204 4.524 4.320 0.000 0.000 0.278 122 K C 0.452 176.886 176.600 -0.277 0.000 1.018 122 K CA 0.166 56.189 56.287 -0.440 0.000 0.981 122 K CB 1.095 33.506 32.500 -0.148 0.000 0.933 122 K HN 0.809 nan 8.250 nan 0.000 0.477 123 Q N 3.143 122.772 119.800 -0.286 0.000 2.496 123 Q HA 0.142 4.482 4.340 0.000 0.000 0.299 123 Q C 0.146 175.938 176.000 -0.347 0.000 1.044 123 Q CA -0.192 55.250 55.803 -0.601 0.000 0.700 123 Q CB 0.031 28.221 28.738 -0.914 0.000 3.313 123 Q HN 0.733 nan 8.270 nan 0.000 0.449 124 W N 0.037 121.336 121.300 -0.001 0.000 1.725 124 W HA 0.342 5.002 4.660 0.000 0.000 0.643 124 W C 1.970 178.477 176.519 -0.020 0.000 1.379 124 W CA -0.735 56.630 57.345 0.033 0.000 1.215 124 W CB -0.233 29.215 29.460 -0.020 0.000 3.476 124 W HN 0.255 nan 8.180 nan 0.000 0.768 125 R N -0.705 119.878 120.500 0.138 0.000 2.090 125 R HA -0.107 4.233 4.340 0.000 0.000 0.228 125 R C 1.801 177.937 176.300 -0.272 0.000 1.110 125 R CA 1.572 57.577 56.100 -0.159 0.000 0.973 125 R CB -0.291 29.753 30.300 -0.428 0.000 0.869 125 R HN 0.486 nan 8.270 nan 0.000 0.440 126 H N -1.314 117.844 119.070 0.147 0.000 2.657 126 H HA 0.143 4.699 4.556 0.000 0.000 0.262 126 H C 0.698 176.157 175.328 0.217 0.000 0.965 126 H CA 0.478 56.638 56.048 0.187 0.000 1.184 126 H CB -0.049 29.789 29.762 0.128 0.000 1.443 126 H HN 0.111 nan 8.280 nan 0.000 0.462 127 S N 1.511 117.256 115.700 0.075 0.000 2.568 127 S HA 0.277 4.747 4.470 0.000 0.000 0.282 127 S C -0.190 174.346 174.600 -0.106 0.000 1.338 127 S CA -0.315 57.658 58.200 -0.379 0.000 1.045 127 S CB 0.255 62.720 63.200 -1.224 0.000 0.873 127 S HN 0.475 nan 8.310 nan 0.000 0.516 128 Y N -2.173 118.033 120.300 -0.156 0.000 2.741 128 Y HA 0.658 5.208 4.550 0.000 0.000 0.339 128 Y C -0.786 175.139 175.900 0.041 0.000 1.226 128 Y CA -0.890 57.126 58.100 -0.141 0.000 1.072 128 Y CB 0.532 38.916 38.460 -0.126 0.000 1.331 128 Y HN 0.861 nan 8.280 nan 0.000 0.453 129 T N -0.049 114.586 114.554 0.135 0.000 2.912 129 T HA 0.993 5.343 4.350 0.000 0.000 0.288 129 T C -0.492 174.336 174.700 0.214 0.000 1.030 129 T CA -0.057 62.136 62.100 0.156 0.000 1.020 129 T CB 1.721 70.628 68.868 0.066 0.000 1.056 129 T HN 1.672 nan 8.240 nan 0.000 0.480 130 A N 1.304 124.225 122.820 0.169 0.000 2.583 130 A HA 0.849 5.169 4.320 0.000 0.000 0.289 130 A C -0.406 176.981 177.584 -0.328 0.000 1.151 130 A CA -0.957 51.014 52.037 -0.110 0.000 0.695 130 A CB 1.408 20.281 19.000 -0.211 0.000 1.290 130 A HN 0.821 nan 8.150 nan 0.000 0.419 131 S N -0.812 114.466 115.700 -0.702 0.000 2.593 131 S HA 0.758 5.229 4.470 0.000 0.000 0.297 131 S C -1.676 172.263 174.600 -1.101 0.000 1.112 131 S CA -0.024 57.662 58.200 -0.857 0.000 1.043 131 S CB 0.603 63.090 63.200 -1.188 0.000 1.054 131 S HN 0.422 nan 8.310 nan 0.000 0.516 132 Y N 0.530 120.589 120.300 -0.401 0.000 2.396 132 Y HA 0.374 4.924 4.550 0.000 0.000 0.332 132 Y C -0.526 175.407 175.900 0.056 0.000 1.034 132 Y CA -0.877 57.150 58.100 -0.123 0.000 1.057 132 Y CB 1.641 39.978 38.460 -0.205 0.000 1.220 132 Y HN 0.482 nan 8.280 nan 0.000 0.440 133 D N 3.965 124.595 120.400 0.383 0.000 2.502 133 D HA 0.459 5.099 4.640 0.000 0.000 0.249 133 D C -0.510 175.930 176.300 0.234 0.000 1.092 133 D CA -0.294 53.887 54.000 0.301 0.000 0.839 133 D CB 2.192 43.240 40.800 0.414 0.000 1.264 133 D HN 0.443 nan 8.370 nan 0.000 0.511 134 I N 2.308 123.002 120.570 0.208 0.000 2.428 134 I HA 0.178 4.348 4.170 0.000 0.000 0.289 134 I C -0.399 175.936 176.117 0.363 0.000 1.019 134 I CA -0.659 60.810 61.300 0.282 0.000 1.351 134 I CB 0.725 38.858 38.000 0.222 0.000 1.412 134 I HN 0.266 nan 8.210 nan 0.000 0.513 135 Y N 5.360 125.832 120.300 0.286 0.000 2.376 135 Y HA 0.290 4.840 4.550 0.000 0.000 0.340 135 Y C -0.345 175.712 175.900 0.261 0.000 0.965 135 Y CA -0.902 57.347 58.100 0.249 0.000 1.078 135 Y CB 1.301 39.886 38.460 0.208 0.000 1.193 135 Y HN 0.505 nan 8.280 nan 0.000 0.452 136 D N 6.632 126.794 120.400 -0.396 0.000 2.325 136 D HA 0.024 4.664 4.640 0.000 0.000 0.251 136 D C 0.797 176.619 176.300 -0.796 0.000 1.196 136 D CA 0.331 53.956 54.000 -0.625 0.000 0.866 136 D CB 1.204 41.743 40.800 -0.436 0.000 1.101 136 D HN 0.930 nan 8.370 nan 0.000 0.476 137 L N 4.675 125.585 121.223 -0.521 0.000 2.056 137 L HA -0.139 4.201 4.340 0.000 0.000 0.207 137 L C 1.867 178.555 176.870 -0.303 0.000 1.078 137 L CA 0.816 55.501 54.840 -0.258 0.000 0.749 137 L CB -0.034 41.925 42.059 -0.168 0.000 0.901 137 L HN 0.458 nan 8.230 nan 0.000 0.433 138 N N -0.127 118.344 118.700 -0.381 0.000 2.062 138 N HA -0.203 4.537 4.740 0.000 0.000 0.191 138 N C 1.617 176.982 175.510 -0.241 0.000 1.042 138 N CA 1.251 54.135 53.050 -0.278 0.000 0.845 138 N CB -0.039 38.283 38.487 -0.275 0.000 1.024 138 N HN 0.340 nan 8.380 nan 0.000 0.424 139 K N 0.832 121.061 120.400 -0.284 0.000 2.217 139 K HA 0.068 4.388 4.320 0.000 0.000 0.202 139 K C 0.022 176.490 176.600 -0.220 0.000 1.051 139 K CA 0.257 56.416 56.287 -0.213 0.000 0.952 139 K CB 0.168 32.556 32.500 -0.187 0.000 0.736 139 K HN 0.148 nan 8.250 nan 0.000 0.453 140 R N 0.939 121.235 120.500 -0.340 0.000 3.246 140 R HA -0.158 4.182 4.340 0.000 0.000 0.260 140 R C -1.052 175.077 176.300 -0.285 0.000 1.034 140 R CA 0.377 56.302 56.100 -0.291 0.000 0.691 140 R CB -1.652 28.608 30.300 -0.068 0.000 1.186 140 R HN 0.338 nan 8.270 nan 0.000 0.416 141 Q N 0.220 119.658 119.800 -0.603 0.000 2.340 141 Q HA 0.404 4.744 4.340 0.000 0.000 0.276 141 Q C -0.773 175.133 176.000 -0.157 0.000 1.048 141 Q CA -1.087 54.589 55.803 -0.212 0.000 0.832 141 Q CB 1.900 30.581 28.738 -0.096 0.000 1.373 141 Q HN -0.035 nan 8.270 nan 0.000 0.409 142 L N 2.558 123.915 121.223 0.224 0.000 2.426 142 L HA 0.321 4.662 4.340 0.000 0.000 0.271 142 L C 0.030 176.999 176.870 0.166 0.000 1.169 142 L CA 0.489 55.511 54.840 0.304 0.000 0.836 142 L CB 0.135 42.422 42.059 0.380 0.000 1.112 142 L HN 0.631 nan 8.230 nan 0.000 0.465 143 I N 2.665 123.333 120.570 0.164 0.000 2.325 143 I HA 0.086 4.256 4.170 0.000 0.000 0.291 143 I C 1.143 177.311 176.117 0.085 0.000 1.019 143 I CA -0.083 61.282 61.300 0.108 0.000 1.302 143 I CB 1.248 39.308 38.000 0.101 0.000 1.401 143 I HN 0.713 nan 8.210 nan 0.000 0.485 144 T N 0.596 115.185 114.554 0.058 0.000 3.069 144 T HA 0.243 4.593 4.350 0.000 0.000 0.252 144 T C 0.556 175.260 174.700 0.007 0.000 1.053 144 T CA -0.194 61.929 62.100 0.037 0.000 0.964 144 T CB 0.074 68.964 68.868 0.036 0.000 1.005 144 T HN 0.468 nan 8.240 nan 0.000 0.532 145 E N 1.906 122.108 120.200 0.002 0.000 2.231 145 E HA 0.225 4.575 4.350 0.000 0.000 0.277 145 E C -0.473 176.103 176.600 -0.041 0.000 0.999 145 E CA -0.624 55.765 56.400 -0.018 0.000 0.827 145 E CB 0.682 30.376 29.700 -0.010 0.000 1.101 145 E HN 0.204 nan 8.360 nan 0.000 0.393 146 E N 1.690 121.852 120.200 -0.063 0.000 2.197 146 E HA -0.252 4.098 4.350 0.000 0.000 0.184 146 E C -0.740 175.786 176.600 -0.123 0.000 1.439 146 E CA 0.867 57.210 56.400 -0.095 0.000 0.688 146 E CB -1.119 28.531 29.700 -0.083 0.000 1.090 146 E HN 0.444 nan 8.360 nan 0.000 0.341 147 R N 0.128 120.541 120.500 -0.144 0.000 2.500 147 R HA 0.455 4.796 4.340 0.000 0.000 0.275 147 R C 0.975 177.093 176.300 -0.304 0.000 1.051 147 R CA -0.811 55.188 56.100 -0.168 0.000 1.088 147 R CB 0.731 30.964 30.300 -0.112 0.000 1.063 147 R HN 0.171 nan 8.270 nan 0.000 0.511 148 I N 5.059 125.410 120.570 -0.364 0.000 2.664 148 I HA 0.003 4.174 4.170 0.000 0.000 0.284 148 I C -1.521 174.305 176.117 -0.485 0.000 1.154 148 I CA -1.256 59.673 61.300 -0.617 0.000 1.402 148 I CB 0.019 37.673 38.000 -0.577 0.000 1.395 148 I HN 0.324 nan 8.210 nan 0.000 0.545 149 P HA 0.019 nan 4.420 nan 0.000 0.271 149 P C -0.573 176.548 177.300 -0.297 0.000 1.244 149 P CA -0.323 62.443 63.100 -0.556 0.000 0.793 149 P CB 0.429 31.453 31.700 -1.127 0.000 0.984 150 N N 0.922 119.524 118.700 -0.163 0.000 2.416 150 N HA -0.042 4.698 4.740 0.000 0.000 0.246 150 N C 0.327 175.911 175.510 0.123 0.000 1.260 150 N CA 0.394 53.413 53.050 -0.052 0.000 0.897 150 N CB -0.715 37.760 38.487 -0.020 0.000 1.110 150 N HN 0.430 nan 8.380 nan 0.000 0.439 151 N N -1.662 117.085 118.700 0.079 0.000 2.735 151 N HA -0.172 4.568 4.740 0.000 0.000 0.248 151 N C -1.008 174.662 175.510 0.267 0.000 1.083 151 N CA 0.432 53.566 53.050 0.140 0.000 0.703 151 N CB -1.478 37.080 38.487 0.119 0.000 1.005 151 N HN 0.440 nan 8.380 nan 0.000 0.550 152 T N 0.427 115.138 114.554 0.262 0.000 2.834 152 T HA 0.037 4.387 4.350 0.000 0.000 0.298 152 T C 1.495 176.352 174.700 0.261 0.000 0.966 152 T CA -0.041 62.240 62.100 0.302 0.000 1.141 152 T CB 1.218 70.182 68.868 0.159 0.000 0.905 152 T HN 0.207 nan 8.240 nan 0.000 0.535 153 Q N 2.193 122.135 119.800 0.237 0.000 2.049 153 Q HA 0.058 4.398 4.340 0.000 0.000 0.198 153 Q C 0.367 176.508 176.000 0.236 0.000 0.971 153 Q CA 0.950 56.900 55.803 0.245 0.000 0.833 153 Q CB 0.407 29.242 28.738 0.162 0.000 0.896 153 Q HN 0.709 nan 8.270 nan 0.000 0.434 154 W N -0.418 120.826 121.300 -0.093 0.000 3.217 154 W HA 0.556 5.216 4.660 0.000 0.000 0.323 154 W C -2.133 174.283 176.519 -0.171 0.000 1.216 154 W CA -0.779 56.467 57.345 -0.164 0.000 1.194 154 W CB 1.554 30.858 29.460 -0.261 0.000 1.397 154 W HN -0.237 nan 8.180 nan 0.000 0.537 155 V N 4.746 123.972 119.914 -1.147 0.000 2.733 155 V HA 0.668 4.789 4.120 0.000 0.000 0.306 155 V C -1.371 174.093 176.094 -1.050 0.000 1.084 155 V CA -0.061 61.683 62.300 -0.926 0.000 0.905 155 V CB 2.205 33.403 31.823 -1.042 0.000 1.010 155 V HN 0.588 nan 8.190 nan 0.000 0.424 156 T N 5.932 120.197 114.554 -0.481 0.000 2.912 156 T HA 0.552 4.903 4.350 0.000 0.000 0.299 156 T C -0.975 173.726 174.700 0.001 0.000 1.052 156 T CA -0.322 61.680 62.100 -0.164 0.000 0.996 156 T CB 0.912 69.962 68.868 0.303 0.000 1.070 156 T HN 0.681 nan 8.240 nan 0.000 0.465 157 W N 2.940 124.273 121.300 0.055 0.000 2.112 157 W HA 0.395 5.056 4.660 0.000 0.000 0.349 157 W C 1.249 177.573 176.519 -0.324 0.000 1.289 157 W CA -0.730 56.579 57.345 -0.059 0.000 1.256 157 W CB 0.517 29.946 29.460 -0.052 0.000 1.148 157 W HN 0.770 nan 8.180 nan 0.000 0.590 158 S N 1.107 116.475 115.700 -0.553 0.000 2.593 158 S HA 0.158 4.629 4.470 0.000 0.000 0.269 158 S C -1.859 172.470 174.600 -0.451 0.000 1.334 158 S CA -1.062 56.335 58.200 -1.338 0.000 1.015 158 S CB 0.945 63.234 63.200 -1.519 0.000 0.912 158 S HN 0.255 nan 8.310 nan 0.000 0.541 159 P HA -0.015 nan 4.420 nan 0.000 0.218 159 P C 0.287 177.535 177.300 -0.088 0.000 1.148 159 P CA 0.939 63.992 63.100 -0.079 0.000 0.822 159 P CB -0.219 31.470 31.700 -0.019 0.000 0.784 160 V N -6.430 113.390 119.914 -0.158 0.000 2.914 160 V HA 0.882 5.002 4.120 0.000 0.000 0.314 160 V C 0.613 176.590 176.094 -0.196 0.000 1.084 160 V CA -0.385 61.836 62.300 -0.133 0.000 0.963 160 V CB 0.861 32.626 31.823 -0.096 0.000 1.025 160 V HN 0.435 nan 8.190 nan 0.000 0.432 161 G N 2.191 110.894 108.800 -0.161 0.000 2.527 161 G HA2 -0.185 3.775 3.960 0.000 0.000 0.268 161 G HA3 -0.185 3.775 3.960 0.000 0.000 0.268 161 G C 0.214 174.984 174.900 -0.217 0.000 1.175 161 G CA 0.771 45.737 45.100 -0.223 0.000 0.962 161 G HN 2.501 nan 8.290 nan 0.000 0.560 162 H N -0.587 118.403 119.070 -0.134 0.000 3.233 162 H HA 0.388 4.944 4.556 0.000 0.000 0.232 162 H C 0.187 175.621 175.328 0.177 0.000 1.322 162 H CA -0.107 55.858 56.048 -0.138 0.000 1.043 162 H CB -0.384 29.241 29.762 -0.230 0.000 2.572 162 H HN 0.538 nan 8.280 nan 0.000 0.597 163 K N 1.339 121.737 120.400 -0.003 0.000 2.258 163 K HA 0.332 4.653 4.320 0.000 0.000 0.264 163 K C -0.725 176.003 176.600 0.213 0.000 1.007 163 K CA -0.593 55.720 56.287 0.044 0.000 0.941 163 K CB 1.308 33.686 32.500 -0.204 0.000 0.966 163 K HN 0.008 nan 8.250 nan 0.000 0.480 164 L N 1.557 122.941 121.223 0.269 0.000 2.381 164 L HA 0.482 4.822 4.340 0.000 0.000 0.274 164 L C -1.277 175.805 176.870 0.354 0.000 0.988 164 L CA -0.225 54.733 54.840 0.197 0.000 0.824 164 L CB 1.637 43.671 42.059 -0.041 0.000 1.263 164 L HN 0.777 nan 8.230 nan 0.000 0.410 165 A N 4.291 127.340 122.820 0.382 0.000 2.337 165 A HA 0.845 5.165 4.320 0.000 0.000 0.329 165 A C -1.642 175.995 177.584 0.088 0.000 1.146 165 A CA -0.363 51.768 52.037 0.157 0.000 0.800 165 A CB 1.016 20.005 19.000 -0.018 0.000 1.220 165 A HN 0.783 nan 8.150 nan 0.000 0.472 166 Y N -0.907 119.356 120.300 -0.063 0.000 2.609 166 Y HA 0.707 5.258 4.550 0.000 0.000 0.336 166 Y C -1.414 174.500 175.900 0.023 0.000 1.129 166 Y CA -1.483 56.561 58.100 -0.093 0.000 1.040 166 Y CB 0.951 39.294 38.460 -0.194 0.000 1.310 166 Y HN 0.434 nan 8.280 nan 0.000 0.460 167 V N 2.229 122.270 119.914 0.212 0.000 2.495 167 V HA 0.440 4.561 4.120 0.000 0.000 0.298 167 V C -1.507 174.808 176.094 0.369 0.000 1.031 167 V CA -0.630 61.768 62.300 0.163 0.000 0.871 167 V CB 1.464 33.288 31.823 0.003 0.000 0.988 167 V HN 0.881 nan 8.190 nan 0.000 0.432 168 W N 5.116 126.522 121.300 0.176 0.000 3.326 168 W HA 0.473 5.133 4.660 0.000 0.000 0.333 168 W C 0.071 176.660 176.519 0.117 0.000 1.108 168 W CA -0.680 56.757 57.345 0.153 0.000 1.245 168 W CB 1.181 30.730 29.460 0.149 0.000 1.331 168 W HN 0.774 nan 8.180 nan 0.000 0.464 169 N N 5.046 123.416 118.700 -0.551 0.000 2.758 169 N HA -0.305 4.436 4.740 0.000 0.000 0.248 169 N C -0.103 175.244 175.510 -0.273 0.000 1.076 169 N CA 0.979 53.698 53.050 -0.551 0.000 0.696 169 N CB -0.980 36.980 38.487 -0.879 0.000 0.979 169 N HN 0.666 nan 8.380 nan 0.000 0.550 170 N N -1.306 117.291 118.700 -0.171 0.000 2.741 170 N HA -0.170 4.571 4.740 0.000 0.000 0.250 170 N C -1.481 173.934 175.510 -0.159 0.000 1.115 170 N CA 1.660 54.624 53.050 -0.142 0.000 0.724 170 N CB -0.537 37.822 38.487 -0.213 0.000 1.090 170 N HN 0.566 nan 8.380 nan 0.000 0.558 171 D N -0.342 119.961 120.400 -0.162 0.000 2.527 171 D HA 0.504 5.144 4.640 0.000 0.000 0.233 171 D C 0.345 176.414 176.300 -0.386 0.000 1.063 171 D CA -0.460 53.351 54.000 -0.315 0.000 0.880 171 D CB 1.467 42.023 40.800 -0.408 0.000 1.457 171 D HN -0.036 nan 8.370 nan 0.000 0.475 172 I N 1.591 121.786 120.570 -0.624 0.000 2.353 172 I HA 0.247 4.417 4.170 0.000 0.000 0.293 172 I C -0.704 174.894 176.117 -0.865 0.000 0.992 172 I CA -0.482 60.441 61.300 -0.628 0.000 1.268 172 I CB 0.619 38.197 38.000 -0.703 0.000 1.387 172 I HN 0.141 nan 8.210 nan 0.000 0.478 173 Y N 4.455 124.353 120.300 -0.671 0.000 2.409 173 Y HA 0.585 5.136 4.550 0.000 0.000 0.343 173 Y C -0.298 175.275 175.900 -0.546 0.000 0.973 173 Y CA -1.031 56.640 58.100 -0.716 0.000 1.064 173 Y CB 1.939 39.669 38.460 -1.216 0.000 1.207 173 Y HN 0.133 nan 8.280 nan 0.000 0.452 174 V N 3.735 123.596 119.914 -0.088 0.000 2.459 174 V HA 0.376 4.496 4.120 0.000 0.000 0.295 174 V C -0.480 175.772 176.094 0.263 0.000 1.029 174 V CA -1.179 61.170 62.300 0.081 0.000 0.874 174 V CB 1.686 33.551 31.823 0.070 0.000 0.985 174 V HN 0.627 nan 8.190 nan 0.000 0.438 175 K N 4.862 125.422 120.400 0.267 0.000 2.473 175 K HA 0.384 4.704 4.320 0.000 0.000 0.246 175 K C 0.627 177.378 176.600 0.252 0.000 1.011 175 K CA -0.640 55.801 56.287 0.256 0.000 0.984 175 K CB 0.911 33.528 32.500 0.195 0.000 1.250 175 K HN 0.502 nan 8.250 nan 0.000 0.454 176 I N 1.335 122.092 120.570 0.311 0.000 2.208 176 I HA -0.181 3.990 4.170 0.000 0.000 0.245 176 I C 0.588 176.808 176.117 0.173 0.000 1.097 176 I CA 1.620 63.052 61.300 0.221 0.000 1.363 176 I CB -0.292 37.842 38.000 0.225 0.000 1.051 176 I HN 0.579 nan 8.210 nan 0.000 0.413 177 E N -0.657 119.641 120.200 0.164 0.000 2.288 177 E HA 0.266 4.616 4.350 0.000 0.000 0.268 177 E C -1.832 174.785 176.600 0.028 0.000 0.885 177 E CA -1.909 54.564 56.400 0.122 0.000 0.767 177 E CB 1.921 31.684 29.700 0.105 0.000 1.220 177 E HN -0.142 nan 8.360 nan 0.000 0.427 178 P HA -0.165 nan 4.420 nan 0.000 0.218 178 P C 0.766 178.008 177.300 -0.096 0.000 1.148 178 P CA 1.455 64.451 63.100 -0.173 0.000 0.822 178 P CB 0.297 31.675 31.700 -0.536 0.000 0.784 179 N N -1.760 116.899 118.700 -0.068 0.000 2.392 179 N HA 0.009 4.750 4.740 0.000 0.000 0.177 179 N C 0.401 175.898 175.510 -0.022 0.000 1.066 179 N CA 0.267 53.302 53.050 -0.025 0.000 0.895 179 N CB -1.002 37.487 38.487 0.004 0.000 0.988 179 N HN 0.068 nan 8.380 nan 0.000 0.457 180 L N 0.883 122.098 121.223 -0.014 0.000 2.456 180 L HA 0.440 4.780 4.340 0.000 0.000 0.257 180 L C -2.076 174.755 176.870 -0.065 0.000 1.162 180 L CA -2.087 52.742 54.840 -0.019 0.000 0.808 180 L CB 0.365 42.440 42.059 0.027 0.000 1.136 180 L HN -0.017 nan 8.230 nan 0.000 0.466 181 P HA 0.096 nan 4.420 nan 0.000 0.269 181 P C -1.209 175.929 177.300 -0.270 0.000 1.217 181 P CA -0.101 62.884 63.100 -0.191 0.000 0.783 181 P CB 0.485 32.047 31.700 -0.230 0.000 0.898 182 S N 0.815 116.404 115.700 -0.185 0.000 2.586 182 S HA 0.356 4.826 4.470 0.000 0.000 0.274 182 S C -0.634 173.855 174.600 -0.184 0.000 1.281 182 S CA -0.223 57.925 58.200 -0.086 0.000 1.035 182 S CB 0.011 63.253 63.200 0.071 0.000 0.962 182 S HN 0.238 nan 8.310 nan 0.000 0.512 183 Y N 0.976 121.307 120.300 0.051 0.000 2.335 183 Y HA 0.385 4.935 4.550 0.000 0.000 0.339 183 Y C 0.723 176.567 175.900 -0.093 0.000 0.987 183 Y CA -0.735 57.375 58.100 0.017 0.000 1.140 183 Y CB 0.632 39.099 38.460 0.010 0.000 1.173 183 Y HN 0.493 nan 8.280 nan 0.000 0.486 184 R N 3.935 124.411 120.500 -0.039 0.000 2.357 184 R HA 0.123 4.463 4.340 0.000 0.000 0.330 184 R C 0.440 176.486 176.300 -0.422 0.000 1.102 184 R CA -0.014 55.763 56.100 -0.537 0.000 0.974 184 R CB 0.073 29.851 30.300 -0.870 0.000 1.002 184 R HN 0.768 nan 8.270 nan 0.000 0.463 185 I N 1.934 122.192 120.570 -0.521 0.000 2.333 185 I HA -0.093 4.078 4.170 0.000 0.000 0.246 185 I C 1.219 177.108 176.117 -0.381 0.000 1.106 185 I CA 1.206 62.283 61.300 -0.371 0.000 1.411 185 I CB -0.948 36.778 38.000 -0.457 0.000 1.082 185 I HN 0.543 nan 8.210 nan 0.000 0.420 186 T N -4.056 110.146 114.554 -0.587 0.000 2.908 186 T HA 0.416 4.767 4.350 0.000 0.000 0.290 186 T C -0.588 173.816 174.700 -0.492 0.000 1.034 186 T CA -0.519 61.329 62.100 -0.420 0.000 1.010 186 T CB 1.970 70.570 68.868 -0.447 0.000 1.068 186 T HN 0.199 nan 8.240 nan 0.000 0.481 187 W N 0.510 121.682 121.300 -0.214 0.000 2.252 187 W HA 0.270 4.930 4.660 0.000 0.000 0.338 187 W C 1.511 177.965 176.519 -0.109 0.000 0.914 187 W CA -0.311 56.949 57.345 -0.142 0.000 1.754 187 W CB 0.703 30.102 29.460 -0.101 0.000 1.135 187 W HN 0.973 nan 8.180 nan 0.000 0.531 188 T N -3.584 110.985 114.554 0.026 0.000 3.043 188 T HA 0.317 4.667 4.350 0.000 0.000 0.272 188 T C 1.065 175.743 174.700 -0.038 0.000 0.990 188 T CA 0.051 62.158 62.100 0.012 0.000 0.897 188 T CB 0.029 68.903 68.868 0.010 0.000 1.111 188 T HN -0.029 nan 8.240 nan 0.000 0.529 189 G N 1.308 110.053 108.800 -0.092 0.000 2.414 189 G HA2 0.387 4.348 3.960 0.000 0.000 0.236 189 G HA3 0.387 4.348 3.960 0.000 0.000 0.236 189 G C -0.653 174.173 174.900 -0.125 0.000 1.293 189 G CA -0.308 44.716 45.100 -0.128 0.000 0.869 189 G HN 0.534 nan 8.290 nan 0.000 0.556 190 K N 1.780 122.085 120.400 -0.158 0.000 2.616 190 K HA 0.123 4.443 4.320 0.000 0.000 0.255 190 K C -0.261 176.216 176.600 -0.205 0.000 0.995 190 K CA -0.589 55.612 56.287 -0.143 0.000 0.860 190 K CB 1.502 33.954 32.500 -0.081 0.000 1.264 190 K HN 0.663 nan 8.250 nan 0.000 0.451 191 E N 2.907 122.994 120.200 -0.188 0.000 2.765 191 E HA -0.170 4.180 4.350 0.000 0.000 0.256 191 E C -0.521 175.991 176.600 -0.147 0.000 0.935 191 E CA 1.140 57.429 56.400 -0.185 0.000 0.954 191 E CB 0.257 29.885 29.700 -0.121 0.000 0.908 191 E HN 0.628 nan 8.360 nan 0.000 0.500 192 D N 2.177 122.476 120.400 -0.169 0.000 3.046 192 D HA -0.244 4.396 4.640 0.000 0.000 0.210 192 D C 0.451 176.790 176.300 0.065 0.000 1.124 192 D CA 1.623 55.642 54.000 0.032 0.000 0.986 192 D CB -0.970 39.885 40.800 0.092 0.000 1.118 192 D HN 0.502 nan 8.370 nan 0.000 0.416 193 I N -1.256 119.258 120.570 -0.094 0.000 3.990 193 I HA 0.087 4.257 4.170 0.000 0.000 0.275 193 I C 0.318 176.476 176.117 0.069 0.000 1.157 193 I CA 0.034 61.360 61.300 0.043 0.000 1.338 193 I CB 0.695 38.708 38.000 0.021 0.000 1.588 193 I HN -0.163 nan 8.210 nan 0.000 0.441 194 I N 1.201 121.715 120.570 -0.094 0.000 2.436 194 I HA 0.308 4.478 4.170 0.000 0.000 0.289 194 I C -1.494 174.552 176.117 -0.119 0.000 1.010 194 I CA -0.593 60.713 61.300 0.010 0.000 1.098 194 I CB 0.970 38.975 38.000 0.009 0.000 1.266 194 I HN 0.022 nan 8.210 nan 0.000 0.434 195 Y N 4.115 124.497 120.300 0.136 0.000 2.338 195 Y HA 0.385 4.935 4.550 0.000 0.000 0.328 195 Y C -0.023 175.925 175.900 0.079 0.000 0.965 195 Y CA -0.820 57.362 58.100 0.136 0.000 1.208 195 Y CB 1.234 39.863 38.460 0.282 0.000 1.132 195 Y HN 0.472 nan 8.280 nan 0.000 0.469 196 N N 1.633 120.378 118.700 0.075 0.000 2.469 196 N HA 0.472 5.213 4.740 0.000 0.000 0.253 196 N C 0.665 176.099 175.510 -0.125 0.000 0.970 196 N CA 0.116 53.139 53.050 -0.045 0.000 0.940 196 N CB 1.494 39.852 38.487 -0.215 0.000 1.128 196 N HN 0.918 nan 8.380 nan 0.000 0.503 197 G N 1.666 110.415 108.800 -0.085 0.000 2.159 197 G HA2 -0.252 3.709 3.960 0.000 0.000 0.256 197 G HA3 -0.252 3.709 3.960 0.000 0.000 0.256 197 G C 0.022 174.768 174.900 -0.257 0.000 0.977 197 G CA 0.603 45.578 45.100 -0.210 0.000 0.652 197 G HN 0.619 nan 8.290 nan 0.000 0.531 198 I N -2.062 118.438 120.570 -0.117 0.000 2.865 198 I HA 0.811 4.982 4.170 0.000 0.000 0.302 198 I C 0.294 176.461 176.117 0.083 0.000 1.140 198 I CA -0.728 60.427 61.300 -0.242 0.000 1.021 198 I CB 1.967 39.623 38.000 -0.573 0.000 1.233 198 I HN 0.171 nan 8.210 nan 0.000 0.427 199 T N -0.454 114.073 114.554 -0.044 0.000 2.899 199 T HA 0.395 4.745 4.350 0.000 0.000 0.284 199 T C -0.206 174.272 174.700 -0.369 0.000 1.004 199 T CA -0.631 61.286 62.100 -0.305 0.000 1.043 199 T CB 1.221 70.007 68.868 -0.137 0.000 1.013 199 T HN 0.783 nan 8.240 nan 0.000 0.518 200 D N 0.137 120.056 120.400 -0.801 0.000 2.478 200 D HA 0.036 4.676 4.640 0.000 0.000 0.269 200 D C 1.004 177.242 176.300 -0.104 0.000 1.232 200 D CA -1.124 52.472 54.000 -0.673 0.000 1.059 200 D CB 0.164 40.505 40.800 -0.764 0.000 1.104 200 D HN 0.718 nan 8.370 nan 0.000 0.566 201 W N 0.284 121.565 121.300 -0.032 0.000 2.302 201 W HA -0.277 4.383 4.660 0.000 0.000 0.320 201 W C 2.072 178.529 176.519 -0.103 0.000 1.241 201 W CA 3.234 60.574 57.345 -0.009 0.000 1.264 201 W CB -0.423 28.997 29.460 -0.068 0.000 1.154 201 W HN 0.230 nan 8.180 nan 0.000 0.483 202 V N -1.889 118.124 119.914 0.165 0.000 2.427 202 V HA -0.295 3.826 4.120 0.000 0.000 0.248 202 V C 1.765 177.704 176.094 -0.258 0.000 1.051 202 V CA 1.744 64.010 62.300 -0.056 0.000 1.048 202 V CB -1.744 30.041 31.823 -0.063 0.000 0.666 202 V HN 0.249 nan 8.190 nan 0.000 0.456 203 Y N 1.197 121.331 120.300 -0.276 0.000 2.293 203 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 203 Y C 2.788 178.600 175.900 -0.145 0.000 1.137 203 Y CA 1.963 59.904 58.100 -0.265 0.000 1.202 203 Y CB -0.069 38.104 38.460 -0.478 0.000 0.990 203 Y HN 0.382 nan 8.280 nan 0.000 0.537 204 E N 0.330 120.505 120.200 -0.042 0.000 2.028 204 E HA -0.269 4.081 4.350 0.000 0.000 0.191 204 E C 2.033 178.600 176.600 -0.054 0.000 0.988 204 E CA 1.487 57.889 56.400 0.003 0.000 0.799 204 E CB -0.033 29.667 29.700 -0.001 0.000 0.755 204 E HN 0.363 nan 8.360 nan 0.000 0.447 205 E N 0.142 120.121 120.200 -0.368 0.000 2.072 205 E HA -0.158 4.193 4.350 0.000 0.000 0.190 205 E C 1.721 178.206 176.600 -0.192 0.000 0.982 205 E CA 1.498 57.662 56.400 -0.393 0.000 0.803 205 E CB 0.158 29.265 29.700 -0.989 0.000 0.755 205 E HN 0.226 nan 8.360 nan 0.000 0.453 206 E N -0.914 119.145 120.200 -0.235 0.000 2.340 206 E HA 0.099 4.449 4.350 0.000 0.000 0.198 206 E C 1.906 178.365 176.600 -0.235 0.000 0.961 206 E CA 0.554 56.854 56.400 -0.167 0.000 0.905 206 E CB 0.619 30.206 29.700 -0.189 0.000 0.884 206 E HN 0.199 nan 8.360 nan 0.000 0.491 207 V N -0.399 119.310 119.914 -0.343 0.000 2.599 207 V HA 0.055 4.175 4.120 0.000 0.000 0.237 207 V C 1.464 177.311 176.094 -0.412 0.000 1.081 207 V CA 0.841 62.834 62.300 -0.512 0.000 1.107 207 V CB -0.231 31.072 31.823 -0.867 0.000 0.808 207 V HN 0.023 nan 8.190 nan 0.000 0.486 208 F N 0.495 120.440 119.950 -0.008 0.000 2.731 208 F HA 0.298 4.825 4.527 0.000 0.000 0.298 208 F C 1.525 177.290 175.800 -0.059 0.000 1.106 208 F CA 0.065 58.085 58.000 0.034 0.000 1.329 208 F CB -0.256 38.820 39.000 0.126 0.000 1.100 208 F HN 0.051 nan 8.300 nan 0.000 0.592 209 S N 0.766 116.493 115.700 0.046 0.000 3.559 209 S HA 0.013 4.483 4.470 0.000 0.000 0.369 209 S C 0.070 174.281 174.600 -0.647 0.000 0.987 209 S CA 0.447 58.561 58.200 -0.144 0.000 1.187 209 S CB -1.789 61.373 63.200 -0.065 0.000 0.914 209 S HN 0.659 nan 8.310 nan 0.000 0.480 210 A N -0.670 121.980 122.820 -0.282 0.000 2.599 210 A HA 0.625 4.945 4.320 0.000 0.000 0.294 210 A C -0.278 177.291 177.584 -0.026 0.000 1.055 210 A CA -0.477 51.403 52.037 -0.263 0.000 0.683 210 A CB 0.260 19.100 19.000 -0.266 0.000 1.278 210 A HN 0.332 nan 8.150 nan 0.000 0.412 211 Y N 1.350 121.529 120.300 -0.201 0.000 2.373 211 Y HA 0.038 4.589 4.550 0.000 0.000 0.293 211 Y C 1.530 177.173 175.900 -0.430 0.000 1.129 211 Y CA 1.190 59.166 58.100 -0.207 0.000 1.226 211 Y CB 0.299 38.684 38.460 -0.124 0.000 1.000 211 Y HN 0.656 nan 8.280 nan 0.000 0.549 212 S N 0.537 115.766 115.700 -0.785 0.000 2.525 212 S HA 0.275 4.745 4.470 0.000 0.000 0.285 212 S C 0.222 174.302 174.600 -0.866 0.000 1.283 212 S CA 0.249 57.737 58.200 -1.186 0.000 1.072 212 S CB 0.664 62.928 63.200 -1.559 0.000 0.867 212 S HN 0.417 nan 8.310 nan 0.000 0.492 213 A N 5.866 128.172 122.820 -0.857 0.000 2.812 213 A HA 0.508 4.829 4.320 0.000 0.000 0.294 213 A C -0.447 176.352 177.584 -1.309 0.000 1.014 213 A CA -0.399 51.018 52.037 -1.032 0.000 1.024 213 A CB 0.074 18.899 19.000 -0.292 0.000 1.162 213 A HN 0.699 nan 8.150 nan 0.000 0.511 214 L N 0.574 120.971 121.223 -1.377 0.000 2.381 214 L HA 0.548 4.888 4.340 0.000 0.000 0.274 214 L C -1.238 175.130 176.870 -0.836 0.000 0.988 214 L CA -0.508 53.816 54.840 -0.861 0.000 0.824 214 L CB 1.800 43.589 42.059 -0.451 0.000 1.263 214 L HN 0.434 nan 8.230 nan 0.000 0.410 215 W N 2.679 123.997 121.300 0.030 0.000 2.543 215 W HA 0.250 4.910 4.660 0.000 0.000 0.318 215 W C -0.953 175.751 176.519 0.307 0.000 1.002 215 W CA -1.132 56.354 57.345 0.235 0.000 1.302 215 W CB 1.287 30.953 29.460 0.344 0.000 1.299 215 W HN 0.481 nan 8.180 nan 0.000 0.424 216 W N 2.307 123.781 121.300 0.290 0.000 2.170 216 W HA 0.207 4.867 4.660 0.000 0.000 0.336 216 W C 1.360 177.593 176.519 -0.477 0.000 1.283 216 W CA 0.350 57.708 57.345 0.021 0.000 1.224 216 W CB 0.752 30.218 29.460 0.009 0.000 1.132 216 W HN 0.214 nan 8.180 nan 0.000 0.571 217 S N 2.524 117.833 115.700 -0.650 0.000 2.584 217 S HA 0.150 4.620 4.470 0.000 0.000 0.270 217 S C -1.724 172.609 174.600 -0.445 0.000 1.346 217 S CA -0.963 56.399 58.200 -1.396 0.000 1.018 217 S CB 1.148 63.661 63.200 -1.145 0.000 0.899 217 S HN 0.281 nan 8.310 nan 0.000 0.542 218 P HA -0.143 nan 4.420 nan 0.000 0.216 218 P C 0.900 178.166 177.300 -0.056 0.000 1.153 218 P CA 1.505 64.571 63.100 -0.058 0.000 0.858 218 P CB -0.219 31.498 31.700 0.029 0.000 0.789 219 N N -1.185 117.475 118.700 -0.067 0.000 2.313 219 N HA 0.088 4.829 4.740 0.000 0.000 0.207 219 N C 1.052 176.498 175.510 -0.108 0.000 1.141 219 N CA 0.431 53.438 53.050 -0.071 0.000 0.830 219 N CB -1.153 37.310 38.487 -0.040 0.000 1.008 219 N HN 0.149 nan 8.380 nan 0.000 0.481 220 G N -0.580 108.160 108.800 -0.099 0.000 2.180 220 G HA2 -0.366 3.594 3.960 0.000 0.000 0.263 220 G HA3 -0.366 3.594 3.960 0.000 0.000 0.263 220 G C 0.918 175.851 174.900 0.055 0.000 0.989 220 G CA 1.057 46.130 45.100 -0.045 0.000 0.692 220 G HN 0.414 nan 8.290 nan 0.000 0.526 221 T N -0.371 114.126 114.554 -0.095 0.000 2.737 221 T HA 0.177 4.527 4.350 0.000 0.000 0.265 221 T C 0.794 175.276 174.700 -0.363 0.000 1.038 221 T CA 1.301 63.210 62.100 -0.318 0.000 1.144 221 T CB -0.089 68.430 68.868 -0.583 0.000 0.866 221 T HN 0.315 nan 8.240 nan 0.000 0.434 222 F N 0.353 120.339 119.950 0.059 0.000 2.450 222 F HA 0.606 5.133 4.527 0.000 0.000 0.332 222 F C -0.256 175.578 175.800 0.056 0.000 1.093 222 F CA -1.508 56.553 58.000 0.101 0.000 1.003 222 F CB 1.076 40.232 39.000 0.260 0.000 1.151 222 F HN -0.110 nan 8.300 nan 0.000 0.474 223 L N 3.076 124.385 121.223 0.143 0.000 2.280 223 L HA 0.774 5.115 4.340 0.000 0.000 0.287 223 L C -0.334 176.610 176.870 0.123 0.000 1.023 223 L CA -0.386 54.365 54.840 -0.148 0.000 0.819 223 L CB 0.677 42.394 42.059 -0.570 0.000 1.212 223 L HN 0.714 nan 8.230 nan 0.000 0.420 224 A N 4.957 127.939 122.820 0.270 0.000 2.310 224 A HA 0.696 5.016 4.320 0.000 0.000 0.299 224 A C -1.320 176.338 177.584 0.124 0.000 1.147 224 A CA -0.243 51.891 52.037 0.162 0.000 0.818 224 A CB 0.445 19.688 19.000 0.406 0.000 1.096 224 A HN 0.828 nan 8.150 nan 0.000 0.495 225 Y N -1.282 118.809 120.300 -0.348 0.000 2.581 225 Y HA 0.743 5.294 4.550 0.000 0.000 0.337 225 Y C -0.397 175.321 175.900 -0.302 0.000 1.108 225 Y CA -0.900 57.041 58.100 -0.266 0.000 1.033 225 Y CB 0.922 39.209 38.460 -0.288 0.000 1.318 225 Y HN 0.910 nan 8.280 nan 0.000 0.459 226 A N 2.761 125.601 122.820 0.033 0.000 2.325 226 A HA 0.662 4.982 4.320 0.000 0.000 0.333 226 A C -1.153 176.316 177.584 -0.192 0.000 1.155 226 A CA -0.830 51.139 52.037 -0.113 0.000 0.814 226 A CB 1.628 20.560 19.000 -0.113 0.000 1.206 226 A HN 0.853 nan 8.150 nan 0.000 0.482 227 Q N 1.368 121.002 119.800 -0.277 0.000 2.330 227 Q HA 0.621 4.961 4.340 0.000 0.000 0.269 227 Q C -2.044 173.692 176.000 -0.441 0.000 1.022 227 Q CA -0.408 55.290 55.803 -0.175 0.000 0.796 227 Q CB 0.991 29.835 28.738 0.176 0.000 1.271 227 Q HN 0.565 nan 8.270 nan 0.000 0.450 228 F N 2.425 122.473 119.950 0.163 0.000 2.436 228 F HA 0.401 4.928 4.527 0.000 0.000 0.340 228 F C 0.379 176.328 175.800 0.249 0.000 1.113 228 F CA -0.927 57.151 58.000 0.129 0.000 1.022 228 F CB 1.356 40.343 39.000 -0.021 0.000 1.128 228 F HN 0.483 nan 8.300 nan 0.000 0.466 229 N N 2.119 121.032 118.700 0.354 0.000 2.511 229 N HA 0.198 4.939 4.740 0.000 0.000 0.249 229 N C -0.849 174.832 175.510 0.286 0.000 0.971 229 N CA -0.294 52.926 53.050 0.283 0.000 0.938 229 N CB 0.875 39.476 38.487 0.190 0.000 1.131 229 N HN 0.551 nan 8.380 nan 0.000 0.505 230 D N 1.361 121.953 120.400 0.320 0.000 2.427 230 D HA 0.128 4.768 4.640 0.000 0.000 0.224 230 D C 1.192 177.611 176.300 0.199 0.000 1.157 230 D CA 0.139 54.310 54.000 0.286 0.000 0.828 230 D CB 0.579 41.616 40.800 0.396 0.000 0.974 230 D HN 0.443 nan 8.370 nan 0.000 0.498 231 T N 0.156 114.805 114.554 0.159 0.000 2.607 231 T HA -0.196 4.154 4.350 0.000 0.000 0.267 231 T C 1.475 176.232 174.700 0.095 0.000 1.049 231 T CA 1.290 63.457 62.100 0.112 0.000 1.162 231 T CB -0.056 68.867 68.868 0.091 0.000 0.863 231 T HN 0.243 nan 8.240 nan 0.000 0.424 232 E N 0.351 120.607 120.200 0.093 0.000 2.463 232 E HA 0.141 4.491 4.350 0.000 0.000 0.193 232 E C -0.367 176.284 176.600 0.084 0.000 1.041 232 E CA -0.270 56.176 56.400 0.076 0.000 0.879 232 E CB 0.424 30.162 29.700 0.063 0.000 0.997 232 E HN 0.186 nan 8.360 nan 0.000 0.478 233 V N 3.878 123.857 119.914 0.108 0.000 2.479 233 V HA 0.052 4.172 4.120 0.000 0.000 0.281 233 V C -1.988 174.167 176.094 0.102 0.000 1.031 233 V CA -1.300 61.069 62.300 0.116 0.000 1.038 233 V CB 0.032 31.947 31.823 0.152 0.000 0.981 233 V HN 0.069 nan 8.190 nan 0.000 0.478 234 P HA 0.253 nan 4.420 nan 0.000 0.270 234 P C -0.736 176.604 177.300 0.066 0.000 1.223 234 P CA -0.394 62.745 63.100 0.065 0.000 0.785 234 P CB 0.548 32.283 31.700 0.057 0.000 0.923 235 L N 2.046 123.285 121.223 0.027 0.000 2.295 235 L HA 0.385 4.725 4.340 0.000 0.000 0.285 235 L C 0.284 177.107 176.870 -0.078 0.000 1.035 235 L CA -0.633 54.205 54.840 -0.004 0.000 0.806 235 L CB 0.972 43.025 42.059 -0.010 0.000 1.214 235 L HN 0.296 nan 8.230 nan 0.000 0.426 236 I N 2.945 123.419 120.570 -0.159 0.000 2.474 236 I HA 0.227 4.397 4.170 0.000 0.000 0.287 236 I C -0.341 175.626 176.117 -0.249 0.000 1.048 236 I CA 0.283 61.390 61.300 -0.321 0.000 1.383 236 I CB 0.474 38.008 38.000 -0.777 0.000 1.412 236 I HN 0.610 nan 8.210 nan 0.000 0.531 237 E N 7.613 127.688 120.200 -0.209 0.000 2.234 237 E HA 0.507 4.857 4.350 0.000 0.000 0.266 237 E C -1.763 174.771 176.600 -0.110 0.000 0.877 237 E CA -0.615 55.658 56.400 -0.212 0.000 0.758 237 E CB 1.914 31.522 29.700 -0.154 0.000 1.170 237 E HN 0.553 nan 8.360 nan 0.000 0.415 238 Y N -1.681 118.533 120.300 -0.143 0.000 2.581 238 Y HA 0.534 5.084 4.550 0.000 0.000 0.337 238 Y C -0.630 175.204 175.900 -0.110 0.000 1.108 238 Y CA -1.301 56.727 58.100 -0.120 0.000 1.033 238 Y CB 0.851 39.247 38.460 -0.107 0.000 1.318 238 Y HN 0.229 nan 8.280 nan 0.000 0.459 239 S N 2.079 117.770 115.700 -0.015 0.000 2.564 239 S HA 0.397 4.868 4.470 0.000 0.000 0.278 239 S C -1.273 173.186 174.600 -0.234 0.000 1.333 239 S CA -0.284 57.755 58.200 -0.270 0.000 1.048 239 S CB 0.180 63.048 63.200 -0.553 0.000 0.900 239 S HN 0.543 nan 8.310 nan 0.000 0.505 240 F N 2.303 121.999 119.950 -0.423 0.000 2.477 240 F HA 0.416 4.944 4.527 0.000 0.000 0.335 240 F C -0.164 175.425 175.800 -0.351 0.000 1.130 240 F CA -0.740 57.098 58.000 -0.269 0.000 0.948 240 F CB 0.830 39.797 39.000 -0.056 0.000 1.154 240 F HN 0.669 nan 8.300 nan 0.000 0.439 241 Y N 2.710 122.783 120.300 -0.379 0.000 2.397 241 Y HA 0.094 4.644 4.550 0.000 0.000 0.292 241 Y C 1.753 177.560 175.900 -0.155 0.000 1.115 241 Y CA 1.168 59.139 58.100 -0.214 0.000 1.208 241 Y CB -0.427 37.898 38.460 -0.225 0.000 1.046 241 Y HN 0.752 nan 8.280 nan 0.000 0.552 242 S N -0.237 115.332 115.700 -0.219 0.000 3.368 242 S HA -0.277 4.194 4.470 0.000 0.000 0.632 242 S C -0.397 174.236 174.600 0.055 0.000 2.690 242 S CA 0.436 58.669 58.200 0.055 0.000 3.124 242 S CB -1.405 61.968 63.200 0.289 0.000 0.317 242 S HN 0.453 nan 8.310 nan 0.000 1.617 243 D N 1.696 122.157 120.400 0.101 0.000 2.382 243 D HA 0.315 4.956 4.640 0.000 0.000 0.240 243 D C 1.424 177.755 176.300 0.052 0.000 1.146 243 D CA 0.629 54.671 54.000 0.069 0.000 0.897 243 D CB 0.509 41.354 40.800 0.075 0.000 1.197 243 D HN 0.585 nan 8.370 nan 0.000 0.432 244 E N -0.269 119.951 120.200 0.033 0.000 2.333 244 E HA -0.201 4.149 4.350 0.000 0.000 0.198 244 E C 1.379 177.993 176.600 0.023 0.000 1.007 244 E CA 0.940 57.352 56.400 0.021 0.000 0.845 244 E CB -0.205 29.498 29.700 0.006 0.000 0.766 244 E HN 0.326 nan 8.360 nan 0.000 0.507 245 S N 0.712 116.432 115.700 0.033 0.000 2.442 245 S HA -0.118 4.352 4.470 0.000 0.000 0.236 245 S C 0.935 175.562 174.600 0.044 0.000 1.007 245 S CA 0.086 58.307 58.200 0.034 0.000 0.965 245 S CB -0.303 62.920 63.200 0.038 0.000 0.773 245 S HN 0.257 nan 8.310 nan 0.000 0.504 246 L N 2.468 123.726 121.223 0.058 0.000 2.385 246 L HA 0.323 4.664 4.340 0.000 0.000 0.281 246 L C 1.342 178.245 176.870 0.056 0.000 1.106 246 L CA 0.096 54.981 54.840 0.075 0.000 0.856 246 L CB 0.628 42.747 42.059 0.100 0.000 1.186 246 L HN 0.276 nan 8.230 nan 0.000 0.453 247 Q N 3.870 123.707 119.800 0.061 0.000 2.123 247 Q HA -0.052 4.288 4.340 0.000 0.000 0.199 247 Q C -0.562 175.335 176.000 -0.172 0.000 0.966 247 Q CA 1.245 57.023 55.803 -0.042 0.000 0.845 247 Q CB 0.177 28.915 28.738 0.000 0.000 0.907 247 Q HN 0.670 nan 8.270 nan 0.000 0.439 248 Y N 0.624 120.937 120.300 0.022 0.000 2.341 248 Y HA 0.390 4.941 4.550 0.000 0.000 0.338 248 Y C -2.063 173.844 175.900 0.011 0.000 0.965 248 Y CA -2.984 55.124 58.100 0.014 0.000 1.108 248 Y CB 1.390 39.851 38.460 0.001 0.000 1.180 248 Y HN 0.133 nan 8.280 nan 0.000 0.458 249 P HA -0.020 nan 4.420 nan 0.000 0.268 249 P C -0.747 176.557 177.300 0.007 0.000 1.208 249 P CA -0.336 62.769 63.100 0.007 0.000 0.777 249 P CB 0.703 32.336 31.700 -0.112 0.000 0.875 250 K N 1.461 121.853 120.400 -0.012 0.000 2.183 250 K HA 0.294 4.614 4.320 0.000 0.000 0.274 250 K C -0.752 175.808 176.600 -0.068 0.000 1.009 250 K CA -0.307 55.979 56.287 -0.003 0.000 0.888 250 K CB 0.535 33.071 32.500 0.061 0.000 1.078 250 K HN 0.345 nan 8.250 nan 0.000 0.459 251 T N 3.443 117.939 114.554 -0.096 0.000 2.728 251 T HA 0.176 4.526 4.350 0.000 0.000 0.296 251 T C -0.207 174.368 174.700 -0.209 0.000 0.940 251 T CA -0.595 61.411 62.100 -0.156 0.000 1.013 251 T CB 0.888 69.678 68.868 -0.130 0.000 0.912 251 T HN 0.282 nan 8.240 nan 0.000 0.484 252 V N 5.483 125.178 119.914 -0.365 0.000 2.530 252 V HA 0.396 4.516 4.120 0.000 0.000 0.282 252 V C 0.505 176.316 176.094 -0.472 0.000 1.048 252 V CA -0.460 61.571 62.300 -0.448 0.000 0.997 252 V CB 0.703 32.142 31.823 -0.639 0.000 0.987 252 V HN 0.728 nan 8.190 nan 0.000 0.477 253 R N 3.360 123.719 120.500 -0.236 0.000 2.483 253 R HA 0.707 5.047 4.340 0.000 0.000 0.303 253 R C -1.671 174.613 176.300 -0.026 0.000 0.987 253 R CA -0.481 55.529 56.100 -0.149 0.000 0.881 253 R CB 2.179 32.422 30.300 -0.094 0.000 1.177 253 R HN 0.537 nan 8.270 nan 0.000 0.451 254 V N 4.137 124.041 119.914 -0.016 0.000 2.531 254 V HA 0.379 4.499 4.120 0.000 0.000 0.301 254 V C -2.373 173.779 176.094 0.098 0.000 1.034 254 V CA -2.488 59.876 62.300 0.107 0.000 0.865 254 V CB 2.168 34.020 31.823 0.048 0.000 0.995 254 V HN 0.603 nan 8.190 nan 0.000 0.424 255 P HA 0.204 nan 4.420 nan 0.000 0.271 255 P C -1.309 176.116 177.300 0.207 0.000 1.233 255 P CA 0.307 63.519 63.100 0.188 0.000 0.764 255 P CB -0.099 31.747 31.700 0.243 0.000 0.825 256 Y N 5.756 126.047 120.300 -0.015 0.000 2.298 256 Y HA 0.359 4.909 4.550 0.000 0.000 0.322 256 Y C -2.725 173.159 175.900 -0.027 0.000 1.138 256 Y CA -2.699 55.346 58.100 -0.092 0.000 1.127 256 Y CB 2.008 40.282 38.460 -0.309 0.000 1.178 256 Y HN 0.295 nan 8.280 nan 0.000 0.428 257 P HA 0.233 nan 4.420 nan 0.000 0.287 257 P C -1.069 176.273 177.300 0.069 0.000 1.294 257 P CA -0.117 63.023 63.100 0.066 0.000 0.776 257 P CB 1.444 33.174 31.700 0.049 0.000 0.889 258 K N 1.874 122.397 120.400 0.204 0.000 2.098 258 K HA 0.558 4.878 4.320 0.000 0.000 0.244 258 K C 0.466 177.162 176.600 0.160 0.000 1.014 258 K CA -0.811 55.618 56.287 0.236 0.000 0.917 258 K CB 0.691 33.354 32.500 0.272 0.000 1.072 258 K HN 0.453 nan 8.250 nan 0.000 0.477 259 A N 0.560 123.496 122.820 0.194 0.000 2.567 259 A HA 0.306 4.627 4.320 0.000 0.000 0.240 259 A C 1.182 178.802 177.584 0.061 0.000 1.053 259 A CA 1.024 53.159 52.037 0.162 0.000 0.755 259 A CB -1.063 18.098 19.000 0.269 0.000 0.978 259 A HN 0.897 nan 8.150 nan 0.000 0.507 260 G N 1.047 109.875 108.800 0.047 0.000 2.267 260 G HA2 0.077 4.037 3.960 0.000 0.000 0.257 260 G HA3 0.077 4.037 3.960 0.000 0.000 0.257 260 G C 0.787 175.703 174.900 0.027 0.000 0.998 260 G CA 0.768 45.873 45.100 0.009 0.000 0.620 260 G HN 2.228 nan 8.290 nan 0.000 0.529 261 A N -0.052 122.799 122.820 0.052 0.000 2.366 261 A HA 0.666 4.986 4.320 0.000 0.000 0.250 261 A C 1.191 178.810 177.584 0.057 0.000 1.099 261 A CA 0.583 52.655 52.037 0.058 0.000 0.794 261 A CB 0.460 19.508 19.000 0.080 0.000 1.056 261 A HN 1.959 nan 8.150 nan 0.000 0.499 262 V N 1.011 120.959 119.914 0.057 0.000 2.637 262 V HA 0.266 4.386 4.120 0.000 0.000 0.296 262 V C 0.036 176.179 176.094 0.081 0.000 1.046 262 V CA -0.516 61.819 62.300 0.058 0.000 1.066 262 V CB 0.218 32.072 31.823 0.051 0.000 0.968 262 V HN 0.771 nan 8.190 nan 0.000 0.483 263 N N 6.057 124.806 118.700 0.083 0.000 2.495 263 N HA 0.579 5.319 4.740 0.000 0.000 0.280 263 N C -2.608 172.996 175.510 0.158 0.000 1.168 263 N CA -1.596 51.531 53.050 0.128 0.000 0.978 263 N CB 1.136 39.698 38.487 0.124 0.000 1.191 263 N HN 0.640 nan 8.380 nan 0.000 0.497 264 P HA 0.058 nan 4.420 nan 0.000 0.269 264 P C -0.414 177.045 177.300 0.265 0.000 1.215 264 P CA -0.047 63.218 63.100 0.274 0.000 0.780 264 P CB 0.190 32.104 31.700 0.357 0.000 0.898 265 T N -1.265 113.420 114.554 0.217 0.000 2.944 265 T HA 0.565 4.915 4.350 0.000 0.000 0.284 265 T C -0.197 174.628 174.700 0.208 0.000 1.010 265 T CA -0.845 61.348 62.100 0.154 0.000 1.025 265 T CB 1.492 70.414 68.868 0.090 0.000 1.079 265 T HN 0.326 nan 8.240 nan 0.000 0.516 266 V N 0.652 120.670 119.914 0.174 0.000 2.841 266 V HA 0.709 4.829 4.120 0.000 0.000 0.310 266 V C -1.458 174.732 176.094 0.161 0.000 1.090 266 V CA -0.830 61.551 62.300 0.134 0.000 0.930 266 V CB 1.996 33.953 31.823 0.223 0.000 1.014 266 V HN 1.011 nan 8.190 nan 0.000 0.425 267 K N 4.856 125.285 120.400 0.049 0.000 2.435 267 K HA 0.604 4.924 4.320 0.000 0.000 0.251 267 K C -1.865 174.665 176.600 -0.117 0.000 0.954 267 K CA -0.511 55.766 56.287 -0.016 0.000 0.820 267 K CB 2.898 35.366 32.500 -0.053 0.000 1.292 267 K HN 0.549 nan 8.250 nan 0.000 0.436 268 F N 2.078 121.726 119.950 -0.503 0.000 2.540 268 F HA 0.585 5.112 4.527 0.000 0.000 0.317 268 F C -1.515 173.740 175.800 -0.909 0.000 1.104 268 F CA -0.638 57.062 58.000 -0.501 0.000 0.913 268 F CB 0.947 39.817 39.000 -0.217 0.000 1.170 268 F HN 0.405 nan 8.300 nan 0.000 0.450 269 F N 3.558 122.768 119.950 -1.232 0.000 2.629 269 F HA 0.789 5.317 4.527 0.000 0.000 0.316 269 F C -1.014 174.165 175.800 -1.035 0.000 1.081 269 F CA -1.263 56.138 58.000 -0.999 0.000 0.954 269 F CB 2.005 40.310 39.000 -1.158 0.000 1.337 269 F HN 0.131 nan 8.300 nan 0.000 0.474 270 V N 2.147 121.862 119.914 -0.332 0.000 2.623 270 V HA 0.519 4.639 4.120 0.000 0.000 0.304 270 V C -1.049 175.132 176.094 0.146 0.000 1.054 270 V CA -0.798 61.390 62.300 -0.187 0.000 0.882 270 V CB 1.881 33.377 31.823 -0.546 0.000 1.002 270 V HN 0.628 nan 8.190 nan 0.000 0.424 271 V N 3.877 123.935 119.914 0.240 0.000 2.732 271 V HA 0.580 4.700 4.120 0.000 0.000 0.310 271 V C -0.206 176.094 176.094 0.343 0.000 1.053 271 V CA -0.565 61.891 62.300 0.261 0.000 0.957 271 V CB 2.132 34.045 31.823 0.150 0.000 1.018 271 V HN 0.925 nan 8.190 nan 0.000 0.452 272 N N 2.784 121.647 118.700 0.272 0.000 2.462 272 N HA 0.187 4.927 4.740 0.000 0.000 0.242 272 N C 0.847 176.341 175.510 -0.026 0.000 1.010 272 N CA 0.433 53.557 53.050 0.124 0.000 0.939 272 N CB 1.563 40.133 38.487 0.137 0.000 1.127 272 N HN 0.872 nan 8.380 nan 0.000 0.509 273 T N -0.546 113.966 114.554 -0.070 0.000 3.088 273 T HA 0.048 4.398 4.350 0.000 0.000 0.259 273 T C 0.737 175.370 174.700 -0.112 0.000 1.122 273 T CA 0.499 62.562 62.100 -0.063 0.000 1.095 273 T CB 0.180 69.094 68.868 0.078 0.000 0.930 273 T HN 0.172 nan 8.240 nan 0.000 0.508 274 D N 2.303 122.614 120.400 -0.149 0.000 2.277 274 D HA 0.018 4.658 4.640 0.000 0.000 0.208 274 D C 1.447 177.678 176.300 -0.115 0.000 0.962 274 D CA 1.041 54.959 54.000 -0.136 0.000 0.865 274 D CB 0.015 40.713 40.800 -0.169 0.000 0.939 274 D HN 0.648 nan 8.370 nan 0.000 0.510 275 S N 0.059 115.692 115.700 -0.111 0.000 2.525 275 S HA 0.258 4.728 4.470 0.000 0.000 0.242 275 S C -0.041 174.501 174.600 -0.097 0.000 1.164 275 S CA -0.729 57.426 58.200 -0.074 0.000 1.154 275 S CB 0.015 63.200 63.200 -0.026 0.000 0.875 275 S HN -0.156 nan 8.310 nan 0.000 0.482 276 L N 2.459 123.558 121.223 -0.207 0.000 2.367 276 L HA 0.516 4.857 4.340 0.000 0.000 0.275 276 L C 0.468 177.200 176.870 -0.230 0.000 1.129 276 L CA 0.216 54.857 54.840 -0.331 0.000 0.839 276 L CB 1.228 42.815 42.059 -0.787 0.000 1.133 276 L HN 0.463 nan 8.230 nan 0.000 0.453 277 S N 1.110 116.780 115.700 -0.050 0.000 2.475 277 S HA 0.354 4.825 4.470 0.000 0.000 0.298 277 S C 0.943 175.693 174.600 0.251 0.000 1.119 277 S CA -0.475 57.779 58.200 0.090 0.000 1.085 277 S CB 1.084 64.328 63.200 0.074 0.000 1.028 277 S HN 0.666 nan 8.310 nan 0.000 0.489 278 S N 2.542 118.406 115.700 0.274 0.000 2.501 278 S HA -0.027 4.443 4.470 0.000 0.000 0.220 278 S C 1.709 176.396 174.600 0.145 0.000 0.997 278 S CA 0.740 59.086 58.200 0.244 0.000 0.919 278 S CB 0.044 63.357 63.200 0.188 0.000 0.778 278 S HN 0.791 nan 8.310 nan 0.000 0.523 279 V N -0.076 119.907 119.914 0.115 0.000 3.174 279 V HA 0.270 4.391 4.120 0.000 0.000 0.254 279 V C 0.690 176.824 176.094 0.066 0.000 1.120 279 V CA 0.768 63.114 62.300 0.077 0.000 1.114 279 V CB -0.513 31.344 31.823 0.057 0.000 0.756 279 V HN 0.452 nan 8.190 nan 0.000 0.467 280 T N -1.303 113.299 114.554 0.081 0.000 2.909 280 T HA 0.477 4.827 4.350 0.000 0.000 0.299 280 T C -0.699 174.054 174.700 0.089 0.000 1.073 280 T CA -0.719 61.416 62.100 0.058 0.000 0.999 280 T CB 1.623 70.515 68.868 0.040 0.000 1.098 280 T HN 0.183 nan 8.240 nan 0.000 0.477 281 N N 1.286 120.023 118.700 0.061 0.000 2.454 281 N HA 0.400 5.141 4.740 0.000 0.000 0.254 281 N C 0.324 175.895 175.510 0.102 0.000 1.228 281 N CA -0.050 53.066 53.050 0.110 0.000 0.900 281 N CB 0.744 39.230 38.487 -0.002 0.000 1.089 281 N HN 1.005 nan 8.380 nan 0.000 0.449 282 A N 1.852 124.750 122.820 0.130 0.000 2.425 282 A HA 0.264 4.584 4.320 0.000 0.000 0.249 282 A C 0.334 177.968 177.584 0.084 0.000 1.084 282 A CA -0.132 51.957 52.037 0.086 0.000 0.781 282 A CB 0.048 19.082 19.000 0.057 0.000 1.019 282 A HN 0.560 nan 8.150 nan 0.000 0.490 283 T N 2.359 116.969 114.554 0.092 0.000 2.832 283 T HA 0.413 4.764 4.350 0.000 0.000 0.296 283 T C 0.231 175.018 174.700 0.145 0.000 0.968 283 T CA 0.159 62.327 62.100 0.113 0.000 1.107 283 T CB 0.680 69.624 68.868 0.127 0.000 0.916 283 T HN 0.526 nan 8.240 nan 0.000 0.517 284 S N 3.116 118.905 115.700 0.150 0.000 2.449 284 S HA 0.470 4.940 4.470 0.000 0.000 0.310 284 S C -0.049 174.723 174.600 0.287 0.000 1.096 284 S CA -0.831 57.491 58.200 0.202 0.000 1.095 284 S CB 0.453 63.711 63.200 0.097 0.000 1.007 284 S HN 0.471 nan 8.310 nan 0.000 0.474 285 I N 3.299 124.040 120.570 0.286 0.000 2.301 285 I HA 0.273 4.443 4.170 0.000 0.000 0.292 285 I C 0.632 176.838 176.117 0.149 0.000 1.046 285 I CA -0.245 61.215 61.300 0.266 0.000 1.282 285 I CB 0.281 38.517 38.000 0.393 0.000 1.409 285 I HN 0.641 nan 8.210 nan 0.000 0.484 286 Q N 5.788 125.642 119.800 0.090 0.000 2.297 286 Q HA 0.356 4.696 4.340 0.000 0.000 0.267 286 Q C -0.807 175.105 176.000 -0.148 0.000 1.006 286 Q CA -0.230 55.405 55.803 -0.281 0.000 0.896 286 Q CB 0.951 29.493 28.738 -0.327 0.000 1.186 286 Q HN 0.552 nan 8.270 nan 0.000 0.392 287 I N 3.956 124.436 120.570 -0.151 0.000 2.312 287 I HA 0.153 4.324 4.170 0.000 0.000 0.290 287 I C 0.434 176.520 176.117 -0.053 0.000 1.008 287 I CA -0.476 60.809 61.300 -0.025 0.000 1.226 287 I CB 1.482 39.514 38.000 0.053 0.000 1.371 287 I HN 0.581 nan 8.210 nan 0.000 0.468 288 T N 3.204 117.688 114.554 -0.117 0.000 2.910 288 T HA 0.658 5.008 4.350 0.000 0.000 0.293 288 T C 0.380 174.838 174.700 -0.403 0.000 1.015 288 T CA -0.942 61.028 62.100 -0.217 0.000 1.094 288 T CB 1.468 70.217 68.868 -0.198 0.000 0.968 288 T HN 0.607 nan 8.240 nan 0.000 0.521 289 A N 4.040 126.374 122.820 -0.809 0.000 2.483 289 A HA 0.500 4.821 4.320 0.000 0.000 0.238 289 A C -1.665 175.415 177.584 -0.839 0.000 1.070 289 A CA -1.223 49.910 52.037 -1.507 0.000 0.770 289 A CB -0.742 17.063 19.000 -1.991 0.000 1.008 289 A HN 0.803 nan 8.150 nan 0.000 0.497 290 P HA 0.194 nan 4.420 nan 0.000 0.273 290 P C 0.889 177.981 177.300 -0.347 0.000 1.250 290 P CA 0.475 63.334 63.100 -0.401 0.000 0.793 290 P CB 0.653 32.183 31.700 -0.283 0.000 1.011 291 A N 1.855 124.541 122.820 -0.223 0.000 1.873 291 A HA -0.229 4.091 4.320 0.000 0.000 0.218 291 A C 2.226 179.706 177.584 -0.173 0.000 1.193 291 A CA 2.921 54.851 52.037 -0.178 0.000 0.629 291 A CB -2.034 16.893 19.000 -0.121 0.000 0.826 291 A HN 0.683 nan 8.150 nan 0.000 0.447 292 S N -1.335 114.283 115.700 -0.136 0.000 2.493 292 S HA -0.082 4.389 4.470 0.000 0.000 0.243 292 S C 1.596 176.124 174.600 -0.119 0.000 0.991 292 S CA 1.548 59.689 58.200 -0.098 0.000 0.957 292 S CB -0.304 62.896 63.200 0.000 0.000 0.756 292 S HN 0.432 nan 8.310 nan 0.000 0.521 293 M N 0.396 119.855 119.600 -0.234 0.000 2.545 293 M HA 0.362 4.842 4.480 0.000 0.000 0.264 293 M C 1.678 177.736 176.300 -0.404 0.000 1.155 293 M CA 0.645 55.734 55.300 -0.352 0.000 1.162 293 M CB -0.817 31.409 32.600 -0.623 0.000 1.330 293 M HN 0.337 nan 8.290 nan 0.000 0.479 294 L N 0.821 121.833 121.223 -0.351 0.000 2.554 294 L HA -0.002 4.339 4.340 0.000 0.000 0.226 294 L C 2.178 179.008 176.870 -0.068 0.000 1.137 294 L CA 0.184 54.910 54.840 -0.189 0.000 0.863 294 L CB -0.737 41.205 42.059 -0.194 0.000 0.985 294 L HN 0.264 nan 8.230 nan 0.000 0.451 295 I N -2.456 118.067 120.570 -0.080 0.000 2.756 295 I HA 0.129 4.299 4.170 0.000 0.000 0.262 295 I C 1.060 177.165 176.117 -0.021 0.000 1.225 295 I CA 0.656 61.924 61.300 -0.053 0.000 1.472 295 I CB -0.426 37.530 38.000 -0.072 0.000 1.094 295 I HN 0.103 nan 8.210 nan 0.000 0.454 296 G N -0.033 108.778 108.800 0.017 0.000 2.578 296 G HA2 0.261 4.221 3.960 0.000 0.000 0.302 296 G HA3 0.261 4.221 3.960 0.000 0.000 0.302 296 G C -1.917 173.036 174.900 0.088 0.000 1.243 296 G CA -0.619 44.499 45.100 0.031 0.000 0.843 296 G HN 0.093 nan 8.290 nan 0.000 0.486 297 D N 1.099 121.496 120.400 -0.005 0.000 2.382 297 D HA 0.516 5.157 4.640 0.000 0.000 0.245 297 D C 0.385 176.608 176.300 -0.129 0.000 1.120 297 D CA 0.698 54.626 54.000 -0.121 0.000 0.890 297 D CB 0.470 41.176 40.800 -0.156 0.000 1.201 297 D HN 0.573 nan 8.370 nan 0.000 0.433 298 H N -0.842 118.080 119.070 -0.247 0.000 2.967 298 H HA 0.402 4.958 4.556 0.000 0.000 0.318 298 H C -1.528 173.675 175.328 -0.208 0.000 1.375 298 H CA -0.874 55.043 56.048 -0.218 0.000 1.132 298 H CB 0.217 29.991 29.762 0.020 0.000 1.848 298 H HN 0.335 nan 8.280 nan 0.000 0.524 299 Y N 0.396 120.946 120.300 0.416 0.000 2.477 299 Y HA 0.358 4.908 4.550 0.000 0.000 0.347 299 Y C -0.213 175.921 175.900 0.391 0.000 0.981 299 Y CA -1.122 57.202 58.100 0.374 0.000 1.033 299 Y CB 2.005 40.514 38.460 0.081 0.000 1.245 299 Y HN 0.514 nan 8.280 nan 0.000 0.455 300 L N 3.626 125.116 121.223 0.445 0.000 2.313 300 L HA 0.322 4.663 4.340 0.000 0.000 0.282 300 L C 0.564 177.408 176.870 -0.043 0.000 1.092 300 L CA 0.028 54.738 54.840 -0.216 0.000 0.831 300 L CB 0.309 42.148 42.059 -0.368 0.000 1.159 300 L HN 1.022 nan 8.230 nan 0.000 0.442 301 C N 0.978 120.120 119.300 -0.263 0.000 3.364 301 C HA 0.571 5.031 4.460 0.000 0.000 0.340 301 C C 0.259 175.069 174.990 -0.299 0.000 1.336 301 C CA -0.077 58.731 59.018 -0.350 0.000 1.778 301 C CB -0.832 26.778 27.740 -0.217 0.000 2.398 301 C HN 0.876 nan 8.230 nan 0.000 0.667 302 D N -0.234 120.021 120.400 -0.241 0.000 2.753 302 D HA 0.637 5.278 4.640 0.000 0.000 0.224 302 D C -1.492 174.556 176.300 -0.420 0.000 1.213 302 D CA -0.208 53.683 54.000 -0.182 0.000 0.833 302 D CB 2.453 43.133 40.800 -0.199 0.000 1.607 302 D HN 0.055 nan 8.370 nan 0.000 0.463 303 V N 2.291 121.896 119.914 -0.515 0.000 2.567 303 V HA 0.600 4.720 4.120 0.000 0.000 0.298 303 V C -0.725 175.010 176.094 -0.598 0.000 1.047 303 V CA -0.553 61.224 62.300 -0.872 0.000 0.880 303 V CB 1.923 32.705 31.823 -1.736 0.000 1.009 303 V HN 0.713 nan 8.190 nan 0.000 0.429 304 T N 3.478 117.767 114.554 -0.441 0.000 2.937 304 T HA 0.383 4.733 4.350 0.000 0.000 0.297 304 T C -0.931 173.645 174.700 -0.208 0.000 0.991 304 T CA -0.433 61.560 62.100 -0.179 0.000 0.990 304 T CB 0.973 69.815 68.868 -0.043 0.000 0.991 304 T HN 0.519 nan 8.240 nan 0.000 0.440 305 W N 2.267 123.516 121.300 -0.085 0.000 2.266 305 W HA 0.486 5.146 4.660 0.000 0.000 0.317 305 W C 1.107 177.518 176.519 -0.180 0.000 1.310 305 W CA -0.396 56.894 57.345 -0.093 0.000 1.207 305 W CB 0.587 30.074 29.460 0.045 0.000 1.199 305 W HN 0.873 nan 8.180 nan 0.000 0.544 306 A N 2.275 124.969 122.820 -0.211 0.000 1.920 306 A HA 0.163 4.483 4.320 0.000 0.000 0.209 306 A C 1.051 178.581 177.584 -0.090 0.000 1.229 306 A CA 1.605 53.294 52.037 -0.580 0.000 0.671 306 A CB -0.370 17.730 19.000 -1.501 0.000 0.886 306 A HN 0.533 nan 8.150 nan 0.000 0.461 307 T N -5.603 108.993 114.554 0.070 0.000 2.590 307 T HA 0.334 4.684 4.350 0.000 0.000 0.282 307 T C 0.269 175.147 174.700 0.297 0.000 0.989 307 T CA -0.281 61.918 62.100 0.164 0.000 1.091 307 T CB 0.549 69.491 68.868 0.124 0.000 1.460 307 T HN -0.043 nan 8.240 nan 0.000 0.499 308 Q N 0.305 120.252 119.800 0.245 0.000 2.297 308 Q HA 0.128 4.468 4.340 0.000 0.000 0.204 308 Q C 0.783 177.065 176.000 0.470 0.000 0.962 308 Q CA 1.294 57.263 55.803 0.276 0.000 0.879 308 Q CB 0.005 28.860 28.738 0.195 0.000 0.947 308 Q HN 0.798 nan 8.270 nan 0.000 0.462 309 E N -0.184 120.267 120.200 0.418 0.000 2.921 309 E HA 0.189 4.539 4.350 0.000 0.000 0.203 309 E C -0.373 176.432 176.600 0.341 0.000 0.975 309 E CA -0.140 56.474 56.400 0.358 0.000 1.225 309 E CB 1.068 30.893 29.700 0.208 0.000 1.048 309 E HN -0.046 nan 8.360 nan 0.000 0.477 310 R N 1.563 122.303 120.500 0.399 0.000 2.515 310 R HA 0.487 4.828 4.340 0.000 0.000 0.291 310 R C -1.782 174.492 176.300 -0.043 0.000 1.046 310 R CA -0.443 55.763 56.100 0.178 0.000 0.914 310 R CB 1.306 31.615 30.300 0.014 0.000 1.191 310 R HN 0.071 nan 8.270 nan 0.000 0.435 311 I N 3.216 123.625 120.570 -0.268 0.000 2.530 311 I HA 0.421 4.591 4.170 0.000 0.000 0.297 311 I C -0.773 175.044 176.117 -0.500 0.000 1.011 311 I CA -0.487 60.406 61.300 -0.679 0.000 1.107 311 I CB 2.083 39.345 38.000 -1.231 0.000 1.285 311 I HN 0.813 nan 8.210 nan 0.000 0.436 312 S N 7.898 123.293 115.700 -0.509 0.000 2.437 312 S HA 0.696 5.166 4.470 0.000 0.000 0.305 312 S C -0.958 173.356 174.600 -0.477 0.000 1.109 312 S CA -0.734 57.247 58.200 -0.366 0.000 1.099 312 S CB 1.071 64.179 63.200 -0.153 0.000 1.004 312 S HN 0.546 nan 8.310 nan 0.000 0.475 313 L N 2.854 123.809 121.223 -0.447 0.000 2.362 313 L HA 0.547 4.887 4.340 0.000 0.000 0.275 313 L C -0.166 176.445 176.870 -0.431 0.000 0.998 313 L CA -0.726 53.760 54.840 -0.590 0.000 0.820 313 L CB 1.906 43.543 42.059 -0.703 0.000 1.270 313 L HN 0.662 nan 8.230 nan 0.000 0.415 314 Q N 1.918 121.404 119.800 -0.522 0.000 2.316 314 Q HA 0.453 4.793 4.340 0.000 0.000 0.264 314 Q C -1.660 174.067 176.000 -0.454 0.000 0.987 314 Q CA -0.549 55.053 55.803 -0.336 0.000 0.852 314 Q CB 2.388 30.983 28.738 -0.238 0.000 1.287 314 Q HN 0.432 nan 8.270 nan 0.000 0.448 315 W N 2.253 123.502 121.300 -0.085 0.000 2.781 315 W HA 0.676 5.337 4.660 0.000 0.000 0.345 315 W C -0.804 175.734 176.519 0.032 0.000 1.085 315 W CA -0.555 56.785 57.345 -0.007 0.000 1.198 315 W CB 1.356 30.784 29.460 -0.052 0.000 1.423 315 W HN 0.314 nan 8.180 nan 0.000 0.532 316 L N 2.711 124.150 121.223 0.360 0.000 2.436 316 L HA 0.514 4.854 4.340 0.000 0.000 0.268 316 L C 0.094 177.140 176.870 0.294 0.000 0.974 316 L CA -1.080 53.928 54.840 0.280 0.000 0.826 316 L CB 1.645 43.859 42.059 0.258 0.000 1.291 316 L HN 0.467 nan 8.230 nan 0.000 0.406 317 R N 2.024 122.665 120.500 0.235 0.000 2.738 317 R HA 0.089 4.429 4.340 0.000 0.000 0.268 317 R C 0.941 177.291 176.300 0.082 0.000 1.062 317 R CA -0.137 56.054 56.100 0.151 0.000 1.158 317 R CB 0.724 31.105 30.300 0.136 0.000 1.046 317 R HN 0.619 nan 8.270 nan 0.000 0.493 318 R N 1.131 121.598 120.500 -0.055 0.000 2.105 318 R HA -0.107 4.233 4.340 0.000 0.000 0.239 318 R C 0.190 176.529 176.300 0.066 0.000 1.135 318 R CA 1.207 57.255 56.100 -0.087 0.000 0.967 318 R CB -0.062 30.148 30.300 -0.151 0.000 0.861 318 R HN 0.367 nan 8.270 nan 0.000 0.442 319 I N 2.106 122.706 120.570 0.050 0.000 2.421 319 I HA -0.017 4.153 4.170 0.000 0.000 0.291 319 I C 0.488 176.661 176.117 0.094 0.000 1.089 319 I CA 0.659 61.994 61.300 0.059 0.000 1.354 319 I CB 1.320 39.343 38.000 0.039 0.000 1.413 319 I HN 0.080 nan 8.210 nan 0.000 0.513 320 Q N 4.972 124.821 119.800 0.081 0.000 2.297 320 Q HA 0.075 4.415 4.340 0.000 0.000 0.265 320 Q C 0.407 176.475 176.000 0.113 0.000 0.904 320 Q CA -0.027 55.835 55.803 0.099 0.000 0.969 320 Q CB -0.246 28.508 28.738 0.028 0.000 1.115 320 Q HN 0.709 nan 8.270 nan 0.000 0.433 321 N N -0.758 118.012 118.700 0.118 0.000 2.204 321 N HA -0.040 4.700 4.740 0.000 0.000 0.219 321 N C -1.037 174.574 175.510 0.169 0.000 1.151 321 N CA -0.212 52.902 53.050 0.107 0.000 0.867 321 N CB 0.300 38.826 38.487 0.066 0.000 1.043 321 N HN 0.173 nan 8.380 nan 0.000 0.516 322 Y N 1.182 121.504 120.300 0.037 0.000 2.307 322 Y HA 0.482 5.032 4.550 0.000 0.000 0.323 322 Y C -0.996 174.935 175.900 0.052 0.000 1.100 322 Y CA -0.866 57.255 58.100 0.034 0.000 1.140 322 Y CB 1.188 39.661 38.460 0.022 0.000 1.159 322 Y HN 0.163 nan 8.280 nan 0.000 0.436 323 S N 4.000 119.591 115.700 -0.182 0.000 2.638 323 S HA 0.947 5.418 4.470 0.000 0.000 0.302 323 S C -1.702 172.786 174.600 -0.188 0.000 1.096 323 S CA -0.695 57.458 58.200 -0.079 0.000 0.953 323 S CB 2.119 65.310 63.200 -0.015 0.000 1.107 323 S HN 0.410 nan 8.310 nan 0.000 0.503 324 V N 2.213 122.111 119.914 -0.028 0.000 2.686 324 V HA 0.523 4.644 4.120 0.000 0.000 0.306 324 V C -0.562 175.559 176.094 0.045 0.000 1.065 324 V CA -0.663 61.628 62.300 -0.015 0.000 0.894 324 V CB 1.674 33.515 31.823 0.031 0.000 1.004 324 V HN 1.065 nan 8.190 nan 0.000 0.424 325 M N 3.700 123.296 119.600 -0.007 0.000 2.129 325 M HA 0.587 5.067 4.480 0.000 0.000 0.348 325 M C -1.149 175.158 176.300 0.011 0.000 1.116 325 M CA -0.012 55.264 55.300 -0.041 0.000 1.022 325 M CB 1.001 33.503 32.600 -0.164 0.000 1.599 325 M HN 0.549 nan 8.290 nan 0.000 0.449 326 D N 5.503 125.911 120.400 0.014 0.000 2.177 326 D HA 0.483 5.123 4.640 0.000 0.000 0.247 326 D C -0.906 175.361 176.300 -0.055 0.000 1.063 326 D CA 0.068 54.067 54.000 -0.001 0.000 0.867 326 D CB 1.632 42.447 40.800 0.026 0.000 1.168 326 D HN 0.681 nan 8.370 nan 0.000 0.445 327 I N 2.398 122.957 120.570 -0.019 0.000 2.389 327 I HA 0.289 4.460 4.170 0.000 0.000 0.288 327 I C -0.613 175.494 176.117 -0.015 0.000 0.999 327 I CA -0.503 60.778 61.300 -0.032 0.000 1.129 327 I CB 1.362 39.388 38.000 0.044 0.000 1.288 327 I HN 0.207 nan 8.210 nan 0.000 0.444 328 c N 3.904 122.489 118.600 -0.024 0.000 2.364 328 c HA 0.457 5.027 4.570 0.000 0.000 0.324 328 c C -0.532 173.674 174.090 0.193 0.000 1.234 328 c CA -0.910 55.464 56.329 0.074 0.000 1.417 328 c CB 0.873 43.431 42.510 0.079 0.000 2.101 328 c HN 0.610 nan 8.230 nan 0.000 0.466 329 D N 0.808 121.286 120.400 0.130 0.000 2.168 329 D HA 0.315 4.956 4.640 0.000 0.000 0.246 329 D C -0.512 175.679 176.300 -0.182 0.000 1.050 329 D CA -0.129 53.895 54.000 0.039 0.000 0.857 329 D CB 0.673 41.461 40.800 -0.020 0.000 1.169 329 D HN 0.568 nan 8.370 nan 0.000 0.453 330 Y N 1.907 121.771 120.300 -0.726 0.000 2.465 330 Y HA 0.166 4.716 4.550 0.000 0.000 0.331 330 Y C -0.226 175.357 175.900 -0.529 0.000 1.102 330 Y CA -0.181 57.193 58.100 -1.209 0.000 1.358 330 Y CB 0.508 38.064 38.460 -1.507 0.000 1.213 330 Y HN 0.235 nan 8.280 nan 0.000 0.525 331 D N 5.151 124.896 120.400 -1.092 0.000 2.349 331 D HA 0.148 4.788 4.640 0.000 0.000 0.232 331 D C 0.511 176.303 176.300 -0.847 0.000 1.071 331 D CA -0.203 53.377 54.000 -0.699 0.000 0.832 331 D CB 0.943 41.490 40.800 -0.421 0.000 1.086 331 D HN 0.755 nan 8.370 nan 0.000 0.504 332 E N 1.535 121.438 120.200 -0.495 0.000 2.110 332 E HA -0.166 4.184 4.350 0.000 0.000 0.193 332 E C 1.612 178.106 176.600 -0.178 0.000 0.988 332 E CA 1.308 57.547 56.400 -0.269 0.000 0.804 332 E CB 0.204 29.867 29.700 -0.061 0.000 0.745 332 E HN 0.635 nan 8.360 nan 0.000 0.458 333 S N 0.244 115.844 115.700 -0.166 0.000 2.357 333 S HA -0.051 4.419 4.470 0.000 0.000 0.221 333 S C 2.239 176.780 174.600 -0.099 0.000 1.031 333 S CA 0.969 59.109 58.200 -0.100 0.000 0.982 333 S CB -0.102 63.051 63.200 -0.079 0.000 0.853 333 S HN -0.019 nan 8.310 nan 0.000 0.458 334 S N 0.744 116.357 115.700 -0.145 0.000 2.406 334 S HA 0.317 4.787 4.470 0.000 0.000 0.228 334 S C 1.663 176.208 174.600 -0.091 0.000 1.020 334 S CA 0.797 58.933 58.200 -0.107 0.000 0.965 334 S CB -0.659 62.473 63.200 -0.113 0.000 0.798 334 S HN 1.134 nan 8.310 nan 0.000 0.488 335 G N 1.286 109.968 108.800 -0.197 0.000 2.148 335 G HA2 -0.269 3.691 3.960 0.000 0.000 0.254 335 G HA3 -0.269 3.691 3.960 0.000 0.000 0.254 335 G C 0.188 175.083 174.900 -0.009 0.000 0.981 335 G CA 0.353 45.414 45.100 -0.064 0.000 0.670 335 G HN 0.418 nan 8.290 nan 0.000 0.528 336 R N -1.744 118.649 120.500 -0.178 0.000 2.606 336 R HA 0.682 5.023 4.340 0.000 0.000 0.249 336 R C -0.771 175.417 176.300 -0.186 0.000 1.127 336 R CA -0.673 55.412 56.100 -0.025 0.000 1.133 336 R CB 0.618 30.915 30.300 -0.005 0.000 1.243 336 R HN 0.188 nan 8.270 nan 0.000 0.558 337 W N 0.704 122.003 121.300 -0.001 0.000 2.475 337 W HA 0.420 5.080 4.660 0.000 0.000 0.320 337 W C -0.660 175.832 176.519 -0.045 0.000 1.022 337 W CA -0.441 56.898 57.345 -0.010 0.000 1.240 337 W CB 1.127 30.594 29.460 0.012 0.000 1.328 337 W HN 0.253 nan 8.180 nan 0.000 0.439 338 N N 2.670 121.428 118.700 0.097 0.000 2.399 338 N HA 0.496 5.236 4.740 0.000 0.000 0.295 338 N C -1.378 174.158 175.510 0.043 0.000 1.048 338 N CA -0.451 52.622 53.050 0.039 0.000 0.886 338 N CB 1.877 40.349 38.487 -0.026 0.000 1.185 338 N HN 0.213 nan 8.380 nan 0.000 0.487 339 c N 2.667 121.277 118.600 0.017 0.000 2.316 339 c HA 0.445 5.015 4.570 0.000 0.000 0.324 339 c C 0.649 174.728 174.090 -0.018 0.000 1.226 339 c CA -1.027 55.302 56.329 0.001 0.000 1.450 339 c CB -0.750 41.751 42.510 -0.015 0.000 2.123 339 c HN 0.541 nan 8.230 nan 0.000 0.454 340 L N 2.802 124.016 121.223 -0.014 0.000 2.367 340 L HA 0.151 4.492 4.340 0.000 0.000 0.275 340 L C 1.499 178.349 176.870 -0.034 0.000 1.129 340 L CA -0.034 54.792 54.840 -0.023 0.000 0.839 340 L CB 0.824 42.874 42.059 -0.015 0.000 1.133 340 L HN 0.601 nan 8.230 nan 0.000 0.453 341 V N 3.079 122.967 119.914 -0.044 0.000 2.380 341 V HA -0.318 3.802 4.120 0.000 0.000 0.251 341 V C 2.211 178.265 176.094 -0.066 0.000 1.063 341 V CA 2.288 64.555 62.300 -0.055 0.000 1.055 341 V CB -0.563 31.229 31.823 -0.051 0.000 0.657 341 V HN 1.006 nan 8.190 nan 0.000 0.455 342 A N -0.911 121.875 122.820 -0.057 0.000 2.206 342 A HA -0.036 4.285 4.320 0.000 0.000 0.211 342 A C 2.059 179.592 177.584 -0.084 0.000 1.158 342 A CA 0.604 52.600 52.037 -0.068 0.000 0.761 342 A CB -0.287 18.688 19.000 -0.043 0.000 0.801 342 A HN 0.467 nan 8.150 nan 0.000 0.473 343 R N -0.144 120.320 120.500 -0.059 0.000 2.427 343 R HA 0.147 4.487 4.340 0.000 0.000 0.262 343 R C -0.192 176.074 176.300 -0.057 0.000 0.943 343 R CA -0.022 56.066 56.100 -0.020 0.000 1.081 343 R CB 0.193 30.523 30.300 0.051 0.000 1.166 343 R HN 0.621 nan 8.270 nan 0.000 0.534 344 Q N 0.257 119.965 119.800 -0.154 0.000 2.299 344 Q HA 0.162 4.503 4.340 0.000 0.000 0.246 344 Q C -0.922 174.867 176.000 -0.352 0.000 0.935 344 Q CA 0.098 55.821 55.803 -0.133 0.000 0.887 344 Q CB 1.144 29.826 28.738 -0.093 0.000 1.223 344 Q HN 0.182 nan 8.270 nan 0.000 0.439 345 H N 0.895 119.941 119.070 -0.039 0.000 2.744 345 H HA 0.362 4.919 4.556 0.000 0.000 0.339 345 H C -1.073 174.198 175.328 -0.095 0.000 1.004 345 H CA -0.490 55.531 56.048 -0.046 0.000 1.257 345 H CB 0.889 30.607 29.762 -0.073 0.000 1.552 345 H HN 0.416 nan 8.280 nan 0.000 0.522 346 I N 2.249 122.808 120.570 -0.018 0.000 2.395 346 I HA 0.134 4.304 4.170 0.000 0.000 0.289 346 I C 0.217 176.268 176.117 -0.110 0.000 1.023 346 I CA 0.154 61.358 61.300 -0.159 0.000 1.350 346 I CB 0.883 38.760 38.000 -0.205 0.000 1.409 346 I HN 0.593 nan 8.210 nan 0.000 0.507 347 E N 8.213 128.300 120.200 -0.188 0.000 2.220 347 E HA 0.536 4.886 4.350 0.000 0.000 0.256 347 E C -1.176 175.325 176.600 -0.164 0.000 0.881 347 E CA -0.706 55.632 56.400 -0.104 0.000 0.766 347 E CB 1.008 30.676 29.700 -0.053 0.000 1.187 347 E HN 0.614 nan 8.360 nan 0.000 0.419 348 M N 1.246 120.780 119.600 -0.110 0.000 2.761 348 M HA 0.654 5.134 4.480 0.000 0.000 0.305 348 M C -0.696 175.603 176.300 -0.002 0.000 1.235 348 M CA -0.916 54.350 55.300 -0.056 0.000 0.850 348 M CB 2.241 34.847 32.600 0.009 0.000 1.744 348 M HN 0.185 nan 8.290 nan 0.000 0.480 349 S N -0.845 114.863 115.700 0.012 0.000 2.538 349 S HA 0.465 4.936 4.470 0.000 0.000 0.288 349 S C -0.064 174.531 174.600 -0.008 0.000 1.108 349 S CA -0.359 57.832 58.200 -0.015 0.000 0.971 349 S CB 2.115 65.267 63.200 -0.080 0.000 1.041 349 S HN 0.886 nan 8.310 nan 0.000 0.483 350 T N 1.440 115.988 114.554 -0.009 0.000 3.040 350 T HA 0.047 4.397 4.350 0.000 0.000 0.252 350 T C 1.697 176.381 174.700 -0.027 0.000 1.064 350 T CA 1.562 63.659 62.100 -0.005 0.000 1.110 350 T CB -0.356 68.517 68.868 0.008 0.000 0.921 350 T HN 0.778 nan 8.240 nan 0.000 0.480 351 T N -1.860 112.671 114.554 -0.039 0.000 3.065 351 T HA 0.559 4.909 4.350 0.000 0.000 0.252 351 T C 1.049 175.622 174.700 -0.212 0.000 1.099 351 T CA 0.546 62.626 62.100 -0.032 0.000 1.063 351 T CB 0.461 69.376 68.868 0.078 0.000 0.948 351 T HN 0.461 nan 8.240 nan 0.000 0.506 352 G N 0.287 108.809 108.800 -0.464 0.000 2.474 352 G HA2 0.449 4.410 3.960 0.000 0.000 0.234 352 G HA3 0.449 4.410 3.960 0.000 0.000 0.234 352 G C -1.573 173.041 174.900 -0.476 0.000 1.204 352 G CA -0.580 44.051 45.100 -0.782 0.000 0.939 352 G HN 0.488 nan 8.290 nan 0.000 0.491 353 W N 0.401 121.395 121.300 -0.510 0.000 2.181 353 W HA 0.693 5.353 4.660 0.000 0.000 0.415 353 W C 0.312 176.753 176.519 -0.129 0.000 1.689 353 W CA -0.657 56.535 57.345 -0.254 0.000 1.859 353 W CB 0.437 29.730 29.460 -0.278 0.000 1.425 353 W HN 0.645 nan 8.180 nan 0.000 0.713 354 V N 0.716 120.698 119.914 0.113 0.000 2.394 354 V HA 0.914 5.034 4.120 0.000 0.000 0.282 354 V C 0.311 176.479 176.094 0.123 0.000 1.031 354 V CA -0.135 62.190 62.300 0.042 0.000 0.881 354 V CB 0.132 31.975 31.823 0.034 0.000 0.982 354 V HN 1.909 nan 8.190 nan 0.000 0.451 355 G N 4.638 113.469 108.800 0.052 0.000 2.756 355 G HA2 -0.170 3.791 3.960 0.000 0.000 0.678 355 G HA3 -0.170 3.791 3.960 0.000 0.000 0.678 355 G C 0.164 175.150 174.900 0.143 0.000 1.349 355 G CA 0.163 45.323 45.100 0.099 0.000 0.847 355 G HN 0.900 nan 8.290 nan 0.000 0.548 356 R N -0.817 119.767 120.500 0.139 0.000 2.062 356 R HA 0.110 4.450 4.340 0.000 0.000 0.231 356 R C 1.921 178.157 176.300 -0.107 0.000 1.136 356 R CA 2.261 58.391 56.100 0.050 0.000 0.948 356 R CB -0.107 30.263 30.300 0.116 0.000 0.845 356 R HN 0.493 nan 8.270 nan 0.000 0.430 357 F N -1.129 118.971 119.950 0.250 0.000 2.876 357 F HA 0.262 4.789 4.527 0.000 0.000 0.344 357 F C 0.324 176.155 175.800 0.051 0.000 1.029 357 F CA -0.535 57.553 58.000 0.147 0.000 1.154 357 F CB 0.780 39.857 39.000 0.128 0.000 1.040 357 F HN -0.131 nan 8.300 nan 0.000 0.576 358 R N -0.697 119.943 120.500 0.233 0.000 2.690 358 R HA 0.418 4.758 4.340 0.000 0.000 0.269 358 R C -3.363 172.994 176.300 0.094 0.000 1.037 358 R CA -1.901 54.258 56.100 0.098 0.000 0.877 358 R CB 0.340 30.648 30.300 0.013 0.000 1.255 358 R HN -0.349 nan 8.270 nan 0.000 0.467 359 P HA -0.088 nan 4.420 nan 0.000 0.263 359 P C -0.172 177.144 177.300 0.026 0.000 1.168 359 P CA 0.447 63.558 63.100 0.020 0.000 0.759 359 P CB 0.539 32.222 31.700 -0.030 0.000 0.782 360 S N 1.921 117.648 115.700 0.046 0.000 2.593 360 S HA 0.183 4.653 4.470 0.000 0.000 0.269 360 S C 0.227 174.838 174.600 0.019 0.000 1.334 360 S CA -0.762 57.481 58.200 0.073 0.000 1.015 360 S CB 0.492 63.761 63.200 0.114 0.000 0.912 360 S HN 0.527 nan 8.310 nan 0.000 0.541 361 E N 0.958 121.181 120.200 0.038 0.000 2.343 361 E HA 0.393 4.743 4.350 0.000 0.000 0.269 361 E C -2.843 173.715 176.600 -0.069 0.000 1.047 361 E CA -2.145 54.225 56.400 -0.051 0.000 0.874 361 E CB 0.010 29.678 29.700 -0.054 0.000 1.033 361 E HN 0.411 nan 8.360 nan 0.000 0.409 362 P HA 0.265 nan 4.420 nan 0.000 0.284 362 P C -0.806 176.335 177.300 -0.265 0.000 1.258 362 P CA -0.355 62.580 63.100 -0.275 0.000 0.824 362 P CB 0.690 31.862 31.700 -0.880 0.000 1.038 363 H N 1.758 120.820 119.070 -0.013 0.000 2.685 363 H HA 0.296 4.852 4.556 0.000 0.000 0.307 363 H C -0.354 175.066 175.328 0.154 0.000 1.017 363 H CA -0.344 55.787 56.048 0.138 0.000 1.237 363 H CB 0.271 30.158 29.762 0.209 0.000 1.409 363 H HN 0.307 nan 8.280 nan 0.000 0.488 364 F N 1.969 122.084 119.950 0.275 0.000 2.399 364 F HA 0.055 4.582 4.527 0.000 0.000 0.342 364 F C 1.565 177.529 175.800 0.274 0.000 1.106 364 F CA -0.487 57.663 58.000 0.251 0.000 1.196 364 F CB 0.982 40.068 39.000 0.144 0.000 1.163 364 F HN 0.373 nan 8.300 nan 0.000 0.547 365 T N 1.045 115.862 114.554 0.438 0.000 2.898 365 T HA 0.127 4.477 4.350 0.000 0.000 0.301 365 T C 1.345 176.222 174.700 0.295 0.000 1.049 365 T CA -0.764 61.547 62.100 0.352 0.000 1.095 365 T CB 0.832 69.887 68.868 0.311 0.000 0.976 365 T HN 0.750 nan 8.240 nan 0.000 0.539 366 L N 1.144 122.504 121.223 0.229 0.000 2.030 366 L HA -0.287 4.053 4.340 0.000 0.000 0.222 366 L C 2.496 179.466 176.870 0.167 0.000 1.082 366 L CA 2.684 57.633 54.840 0.181 0.000 0.785 366 L CB -0.631 41.515 42.059 0.144 0.000 0.895 366 L HN 0.998 nan 8.230 nan 0.000 0.439 367 D N -0.989 119.508 120.400 0.162 0.000 2.310 367 D HA -0.065 4.575 4.640 0.000 0.000 0.212 367 D C 1.572 177.960 176.300 0.147 0.000 0.965 367 D CA 1.022 55.105 54.000 0.139 0.000 0.879 367 D CB -0.463 40.411 40.800 0.124 0.000 0.921 367 D HN 0.580 nan 8.370 nan 0.000 0.510 368 G N 0.567 109.487 108.800 0.200 0.000 2.148 368 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 368 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 368 G C 0.834 175.887 174.900 0.255 0.000 0.981 368 G CA 0.366 45.593 45.100 0.212 0.000 0.670 368 G HN 0.375 nan 8.290 nan 0.000 0.528 369 N N 0.095 118.928 118.700 0.222 0.000 2.353 369 N HA 0.216 4.956 4.740 0.000 0.000 0.185 369 N C 0.988 176.590 175.510 0.154 0.000 1.098 369 N CA 1.101 54.257 53.050 0.177 0.000 0.872 369 N CB 0.538 39.098 38.487 0.121 0.000 0.970 369 N HN 0.964 nan 8.380 nan 0.000 0.467 370 S N -0.508 115.288 115.700 0.160 0.000 2.607 370 S HA 0.774 5.244 4.470 0.000 0.000 0.273 370 S C -0.986 173.571 174.600 -0.072 0.000 1.148 370 S CA -0.948 57.173 58.200 -0.132 0.000 0.833 370 S CB 1.580 64.556 63.200 -0.372 0.000 1.130 370 S HN 0.103 nan 8.310 nan 0.000 0.470 371 F N -1.732 117.851 119.950 -0.611 0.000 2.686 371 F HA 0.817 5.344 4.527 0.000 0.000 0.311 371 F C -2.117 173.317 175.800 -0.610 0.000 1.128 371 F CA -1.539 56.086 58.000 -0.625 0.000 0.946 371 F CB 0.652 38.994 39.000 -1.097 0.000 1.336 371 F HN 0.595 nan 8.300 nan 0.000 0.457 372 Y N 1.035 121.386 120.300 0.085 0.000 2.377 372 Y HA 0.685 5.235 4.550 0.000 0.000 0.339 372 Y C -0.298 175.736 175.900 0.224 0.000 1.011 372 Y CA -0.814 57.356 58.100 0.116 0.000 1.093 372 Y CB 2.173 40.699 38.460 0.110 0.000 1.201 372 Y HN 0.685 nan 8.280 nan 0.000 0.455 373 K N 3.014 123.621 120.400 0.345 0.000 2.550 373 K HA 0.502 4.822 4.320 0.000 0.000 0.252 373 K C -1.675 175.064 176.600 0.232 0.000 0.943 373 K CA -0.459 56.005 56.287 0.294 0.000 0.806 373 K CB 1.325 33.985 32.500 0.266 0.000 1.289 373 K HN 0.681 nan 8.250 nan 0.000 0.435 374 I N 6.625 127.310 120.570 0.191 0.000 2.452 374 I HA 0.223 4.394 4.170 0.000 0.000 0.287 374 I C 0.218 176.431 176.117 0.160 0.000 1.079 374 I CA -0.068 61.326 61.300 0.156 0.000 1.387 374 I CB 0.108 38.184 38.000 0.126 0.000 1.404 374 I HN 0.504 nan 8.210 nan 0.000 0.522 375 I N 1.615 122.305 120.570 0.199 0.000 2.994 375 I HA 0.502 4.672 4.170 0.000 0.000 0.306 375 I C -0.368 175.877 176.117 0.213 0.000 1.195 375 I CA -0.813 60.602 61.300 0.191 0.000 1.001 375 I CB 2.151 40.278 38.000 0.212 0.000 1.244 375 I HN 0.216 nan 8.210 nan 0.000 0.437 376 S N 3.239 119.004 115.700 0.109 0.000 2.533 376 S HA 0.164 4.634 4.470 0.000 0.000 0.282 376 S C 0.057 174.713 174.600 0.093 0.000 1.304 376 S CA -0.535 57.680 58.200 0.025 0.000 1.063 376 S CB -0.063 63.092 63.200 -0.075 0.000 0.881 376 S HN 0.802 nan 8.310 nan 0.000 0.493 377 N N 2.664 121.300 118.700 -0.106 0.000 2.328 377 N HA 0.077 4.818 4.740 0.000 0.000 0.277 377 N C 0.552 175.980 175.510 -0.137 0.000 1.286 377 N CA -0.440 52.404 53.050 -0.343 0.000 0.949 377 N CB 0.028 37.982 38.487 -0.889 0.000 1.136 377 N HN 0.449 nan 8.380 nan 0.000 0.550 378 E N -0.870 119.245 120.200 -0.142 0.000 2.268 378 E HA -0.097 4.253 4.350 0.000 0.000 0.195 378 E C 0.811 177.370 176.600 -0.070 0.000 0.995 378 E CA 1.102 57.459 56.400 -0.071 0.000 0.836 378 E CB -0.261 29.405 29.700 -0.057 0.000 0.763 378 E HN 0.683 nan 8.360 nan 0.000 0.491 379 E N -0.182 119.975 120.200 -0.071 0.000 2.489 379 E HA 0.060 4.410 4.350 0.000 0.000 0.193 379 E C 0.629 177.225 176.600 -0.007 0.000 1.057 379 E CA 0.334 56.746 56.400 0.020 0.000 0.866 379 E CB 0.098 29.854 29.700 0.093 0.000 0.916 379 E HN 0.392 nan 8.360 nan 0.000 0.500 380 G N 1.089 109.818 108.800 -0.119 0.000 2.143 380 G HA2 -0.286 3.674 3.960 0.000 0.000 0.248 380 G HA3 -0.286 3.674 3.960 0.000 0.000 0.248 380 G C -0.323 174.309 174.900 -0.447 0.000 0.991 380 G CA 0.187 45.114 45.100 -0.288 0.000 0.689 380 G HN 0.219 nan 8.290 nan 0.000 0.522 381 Y N -0.114 120.060 120.300 -0.210 0.000 2.361 381 Y HA 0.648 5.198 4.550 0.000 0.000 0.332 381 Y C 1.146 176.884 175.900 -0.270 0.000 1.101 381 Y CA -0.934 57.025 58.100 -0.236 0.000 1.137 381 Y CB 1.064 39.395 38.460 -0.215 0.000 1.207 381 Y HN 0.079 nan 8.280 nan 0.000 0.463 382 R N 3.533 123.899 120.500 -0.222 0.000 2.216 382 R HA 0.321 4.661 4.340 0.000 0.000 0.332 382 R C -0.886 175.129 176.300 -0.474 0.000 1.056 382 R CA -0.190 55.782 56.100 -0.212 0.000 0.901 382 R CB 0.186 30.419 30.300 -0.110 0.000 1.039 382 R HN 0.661 nan 8.270 nan 0.000 0.456 383 H N 1.812 120.879 119.070 -0.005 0.000 2.985 383 H HA 0.303 4.859 4.556 0.000 0.000 0.360 383 H C -0.177 175.247 175.328 0.160 0.000 1.221 383 H CA -0.957 55.074 56.048 -0.029 0.000 1.121 383 H CB 1.626 31.260 29.762 -0.212 0.000 1.854 383 H HN 0.336 nan 8.280 nan 0.000 0.551 384 I N 1.446 122.123 120.570 0.178 0.000 2.517 384 I HA 0.005 4.175 4.170 0.000 0.000 0.285 384 I C 0.531 176.687 176.117 0.066 0.000 1.106 384 I CA 0.344 61.706 61.300 0.103 0.000 1.402 384 I CB 0.072 38.062 38.000 -0.017 0.000 1.399 384 I HN 0.137 nan 8.210 nan 0.000 0.535 385 c N 6.927 125.470 118.600 -0.095 0.000 2.435 385 c HA 0.456 5.027 4.570 0.000 0.000 0.333 385 c C -0.466 173.419 174.090 -0.342 0.000 1.202 385 c CA -0.589 55.428 56.329 -0.521 0.000 1.830 385 c CB 1.061 42.945 42.510 -1.043 0.000 2.326 385 c HN 0.692 nan 8.230 nan 0.000 0.507 386 Y N 4.074 123.972 120.300 -0.669 0.000 2.328 386 Y HA 0.664 5.214 4.550 0.000 0.000 0.337 386 Y C -1.103 174.289 175.900 -0.847 0.000 0.966 386 Y CA -0.597 57.084 58.100 -0.699 0.000 1.136 386 Y CB 0.414 38.531 38.460 -0.572 0.000 1.170 386 Y HN 0.643 nan 8.280 nan 0.000 0.470 387 F N 3.905 123.001 119.950 -1.423 0.000 2.458 387 F HA 0.491 5.019 4.527 0.000 0.000 0.330 387 F C -0.188 174.808 175.800 -1.340 0.000 1.082 387 F CA -0.859 56.344 58.000 -1.327 0.000 0.995 387 F CB 1.731 39.620 39.000 -1.853 0.000 1.170 387 F HN 0.367 nan 8.300 nan 0.000 0.478 388 Q N 2.726 122.201 119.800 -0.542 0.000 2.256 388 Q HA 0.352 4.692 4.340 0.000 0.000 0.257 388 Q C 1.314 177.301 176.000 -0.021 0.000 0.936 388 Q CA -0.545 55.085 55.803 -0.289 0.000 0.903 388 Q CB 2.281 30.945 28.738 -0.124 0.000 1.263 388 Q HN 0.793 nan 8.270 nan 0.000 0.440 389 I N -1.158 119.477 120.570 0.109 0.000 2.335 389 I HA -0.245 3.925 4.170 0.000 0.000 0.251 389 I C 0.414 176.712 176.117 0.303 0.000 1.129 389 I CA 1.396 62.893 61.300 0.328 0.000 1.402 389 I CB -0.029 38.157 38.000 0.310 0.000 1.069 389 I HN 0.471 nan 8.210 nan 0.000 0.424 390 D N 1.264 121.756 120.400 0.153 0.000 2.349 390 D HA 0.114 4.754 4.640 0.000 0.000 0.215 390 D C 0.394 176.726 176.300 0.053 0.000 1.016 390 D CA 0.708 54.756 54.000 0.081 0.000 0.870 390 D CB 0.176 41.006 40.800 0.050 0.000 0.917 390 D HN 0.482 nan 8.370 nan 0.000 0.524 391 K N 0.907 121.367 120.400 0.101 0.000 2.221 391 K HA 0.175 4.495 4.320 0.000 0.000 0.258 391 K C 1.029 177.694 176.600 0.109 0.000 0.944 391 K CA -0.602 55.721 56.287 0.061 0.000 0.823 391 K CB 2.594 35.103 32.500 0.015 0.000 1.113 391 K HN -0.293 nan 8.250 nan 0.000 0.431 392 K N 1.455 121.870 120.400 0.024 0.000 2.103 392 K HA -0.061 4.260 4.320 0.000 0.000 0.204 392 K C -0.273 176.369 176.600 0.070 0.000 1.052 392 K CA 1.434 57.740 56.287 0.031 0.000 0.945 392 K CB 0.262 32.753 32.500 -0.015 0.000 0.722 392 K HN 0.595 nan 8.250 nan 0.000 0.443 393 D N 0.670 121.061 120.400 -0.016 0.000 2.264 393 D HA 0.086 4.726 4.640 0.000 0.000 0.249 393 D C -0.064 176.066 176.300 -0.284 0.000 1.070 393 D CA -0.264 53.670 54.000 -0.111 0.000 0.912 393 D CB 1.391 42.131 40.800 -0.099 0.000 1.193 393 D HN 0.288 nan 8.370 nan 0.000 0.427 394 c N -0.008 118.282 118.600 -0.517 0.000 2.562 394 c HA 0.892 5.462 4.570 0.000 0.000 0.332 394 c C 0.152 173.876 174.090 -0.610 0.000 1.201 394 c CA -0.741 55.060 56.329 -0.880 0.000 1.803 394 c CB 1.128 42.490 42.510 -1.912 0.000 2.328 394 c HN 0.643 nan 8.230 nan 0.000 0.500 395 T N -0.046 114.179 114.554 -0.548 0.000 2.792 395 T HA 0.619 4.969 4.350 0.000 0.000 0.280 395 T C -0.872 173.555 174.700 -0.454 0.000 0.990 395 T CA -0.250 61.626 62.100 -0.374 0.000 0.960 395 T CB 0.504 69.242 68.868 -0.218 0.000 0.939 395 T HN 0.553 nan 8.240 nan 0.000 0.439 396 F N 3.515 123.296 119.950 -0.281 0.000 2.456 396 F HA 0.349 4.876 4.527 0.000 0.000 0.358 396 F C 1.549 177.093 175.800 -0.427 0.000 1.095 396 F CA -1.009 56.821 58.000 -0.285 0.000 1.216 396 F CB 0.796 39.660 39.000 -0.228 0.000 1.125 396 F HN 0.682 nan 8.300 nan 0.000 0.549 397 I N -0.819 119.594 120.570 -0.262 0.000 4.082 397 I HA 0.277 4.448 4.170 0.000 0.000 0.337 397 I C 0.051 176.090 176.117 -0.129 0.000 1.352 397 I CA -0.062 60.901 61.300 -0.562 0.000 1.097 397 I CB -0.023 37.600 38.000 -0.628 0.000 1.048 397 I HN 0.473 nan 8.210 nan 0.000 0.393 398 T N -0.243 114.262 114.554 -0.083 0.000 2.901 398 T HA 0.715 5.066 4.350 0.000 0.000 0.293 398 T C -0.670 173.692 174.700 -0.565 0.000 1.084 398 T CA -0.676 61.342 62.100 -0.137 0.000 1.008 398 T CB 2.795 71.638 68.868 -0.042 0.000 1.170 398 T HN 0.455 nan 8.240 nan 0.000 0.509 399 K N -0.445 119.421 120.400 -0.890 0.000 2.617 399 K HA 0.736 5.056 4.320 0.000 0.000 0.293 399 K C -0.424 175.477 176.600 -1.166 0.000 1.034 399 K CA -0.699 54.783 56.287 -1.341 0.000 0.884 399 K CB 1.281 33.394 32.500 -0.645 0.000 1.541 399 K HN 1.756 nan 8.250 nan 0.000 0.409 400 G N -0.072 108.152 108.800 -0.961 0.000 2.381 400 G HA2 0.011 3.971 3.960 0.000 0.000 0.672 400 G HA3 0.011 3.971 3.960 0.000 0.000 0.672 400 G C -0.620 173.759 174.900 -0.868 0.000 1.324 400 G CA -0.365 44.319 45.100 -0.693 0.000 0.975 400 G HN 1.082 nan 8.290 nan 0.000 0.593 401 T N -0.385 113.782 114.554 -0.644 0.000 4.098 401 T HA 0.568 4.918 4.350 0.000 0.000 0.291 401 T C 0.263 174.844 174.700 -0.199 0.000 1.440 401 T CA 0.645 62.230 62.100 -0.859 0.000 1.164 401 T CB -0.904 67.641 68.868 -0.538 0.000 1.313 401 T HN 1.594 nan 8.240 nan 0.000 0.951 402 W N -0.312 120.901 121.300 -0.145 0.000 2.895 402 W HA 0.623 5.283 4.660 0.000 0.000 0.377 402 W C -1.489 175.050 176.519 0.033 0.000 1.191 402 W CA -0.962 56.399 57.345 0.026 0.000 1.179 402 W CB 0.644 30.107 29.460 0.005 0.000 1.469 402 W HN 0.191 nan 8.180 nan 0.000 0.577 403 E N 0.826 121.231 120.200 0.341 0.000 2.317 403 E HA 0.421 4.771 4.350 0.000 0.000 0.270 403 E C -1.117 175.600 176.600 0.196 0.000 0.885 403 E CA -1.164 55.242 56.400 0.009 0.000 0.760 403 E CB 3.474 33.215 29.700 0.068 0.000 1.227 403 E HN 0.158 nan 8.360 nan 0.000 0.434 404 V N 4.432 124.320 119.914 -0.042 0.000 2.470 404 V HA -0.028 4.092 4.120 0.000 0.000 0.276 404 V C 1.240 177.426 176.094 0.152 0.000 1.040 404 V CA 0.167 62.547 62.300 0.134 0.000 1.008 404 V CB 0.329 32.136 31.823 -0.027 0.000 0.990 404 V HN 0.688 nan 8.190 nan 0.000 0.477 405 I N 3.714 124.406 120.570 0.204 0.000 2.206 405 I HA 0.207 4.377 4.170 0.000 0.000 0.239 405 I C 1.187 177.421 176.117 0.194 0.000 1.078 405 I CA 1.339 62.744 61.300 0.176 0.000 1.367 405 I CB -0.855 37.190 38.000 0.075 0.000 1.078 405 I HN 0.711 nan 8.210 nan 0.000 0.413 406 G N 0.420 109.341 108.800 0.201 0.000 2.718 406 G HA2 0.605 4.566 3.960 0.000 0.000 0.295 406 G HA3 0.605 4.566 3.960 0.000 0.000 0.295 406 G C -1.165 173.848 174.900 0.189 0.000 1.421 406 G CA -0.475 44.743 45.100 0.197 0.000 0.902 406 G HN -0.003 nan 8.290 nan 0.000 0.501 407 I N 1.650 122.277 120.570 0.095 0.000 2.371 407 I HA 0.221 4.391 4.170 0.000 0.000 0.290 407 I C 0.766 176.863 176.117 -0.034 0.000 1.028 407 I CA -0.419 60.837 61.300 -0.073 0.000 1.345 407 I CB 1.625 39.315 38.000 -0.517 0.000 1.407 407 I HN 0.502 nan 8.210 nan 0.000 0.501 408 E N 4.823 125.050 120.200 0.045 0.000 2.206 408 E HA 0.314 4.664 4.350 0.000 0.000 0.195 408 E C 0.131 176.709 176.600 -0.036 0.000 0.935 408 E CA 0.327 56.794 56.400 0.113 0.000 0.875 408 E CB 0.641 30.490 29.700 0.248 0.000 0.841 408 E HN 0.656 nan 8.360 nan 0.000 0.477 409 A N 0.942 123.635 122.820 -0.211 0.000 2.520 409 A HA 0.589 4.909 4.320 0.000 0.000 0.298 409 A C -1.731 175.791 177.584 -0.103 0.000 1.051 409 A CA -0.612 51.222 52.037 -0.340 0.000 0.690 409 A CB 1.335 19.629 19.000 -1.177 0.000 1.281 409 A HN 0.069 nan 8.150 nan 0.000 0.402 410 L N 2.353 123.561 121.223 -0.025 0.000 2.356 410 L HA 0.811 5.151 4.340 0.000 0.000 0.277 410 L C 0.450 177.363 176.870 0.072 0.000 0.996 410 L CA 0.399 55.258 54.840 0.031 0.000 0.822 410 L CB 1.849 43.959 42.059 0.086 0.000 1.256 410 L HN 1.049 nan 8.230 nan 0.000 0.413 411 T N -0.095 114.516 114.554 0.095 0.000 2.735 411 T HA 0.396 4.746 4.350 0.000 0.000 0.262 411 T C 1.027 175.788 174.700 0.102 0.000 0.955 411 T CA 0.188 62.354 62.100 0.109 0.000 1.022 411 T CB 0.716 69.676 68.868 0.153 0.000 1.455 411 T HN 0.591 nan 8.240 nan 0.000 0.583 412 S N -0.635 115.120 115.700 0.090 0.000 2.470 412 S HA 0.053 4.523 4.470 0.000 0.000 0.225 412 S C 0.760 175.366 174.600 0.009 0.000 1.006 412 S CA 0.525 58.766 58.200 0.068 0.000 0.934 412 S CB -0.352 62.887 63.200 0.065 0.000 0.778 412 S HN 0.678 nan 8.310 nan 0.000 0.517 413 D N -0.869 119.519 120.400 -0.020 0.000 2.479 413 D HA 0.265 4.905 4.640 0.000 0.000 0.221 413 D C -0.786 175.212 176.300 -0.504 0.000 1.104 413 D CA 0.328 54.192 54.000 -0.226 0.000 0.849 413 D CB 0.504 41.179 40.800 -0.207 0.000 1.072 413 D HN 0.409 nan 8.370 nan 0.000 0.502 414 Y N 0.241 120.502 120.300 -0.066 0.000 2.492 414 Y HA 0.443 4.994 4.550 0.000 0.000 0.346 414 Y C -0.643 175.116 175.900 -0.235 0.000 0.997 414 Y CA -0.918 57.057 58.100 -0.208 0.000 1.025 414 Y CB 2.595 40.834 38.460 -0.368 0.000 1.263 414 Y HN -0.267 nan 8.280 nan 0.000 0.454 415 L N 3.760 124.888 121.223 -0.158 0.000 2.313 415 L HA 0.574 4.915 4.340 0.000 0.000 0.283 415 L C -1.641 175.108 176.870 -0.201 0.000 1.013 415 L CA -0.585 54.144 54.840 -0.184 0.000 0.816 415 L CB 0.715 42.582 42.059 -0.319 0.000 1.236 415 L HN 0.646 nan 8.230 nan 0.000 0.419 416 Y N 4.699 124.935 120.300 -0.106 0.000 2.342 416 Y HA 0.524 5.074 4.550 0.000 0.000 0.334 416 Y C -0.487 175.432 175.900 0.032 0.000 1.067 416 Y CA -0.345 57.695 58.100 -0.101 0.000 1.128 416 Y CB 1.411 39.708 38.460 -0.272 0.000 1.200 416 Y HN 0.529 nan 8.280 nan 0.000 0.464 417 Y N 0.764 121.139 120.300 0.125 0.000 2.581 417 Y HA 0.698 5.249 4.550 0.000 0.000 0.337 417 Y C -1.990 174.007 175.900 0.163 0.000 1.108 417 Y CA -1.809 56.357 58.100 0.109 0.000 1.033 417 Y CB 0.945 39.448 38.460 0.071 0.000 1.318 417 Y HN 0.306 nan 8.280 nan 0.000 0.459 418 I N 3.642 124.382 120.570 0.284 0.000 2.359 418 I HA 0.589 4.760 4.170 0.000 0.000 0.294 418 I C 0.106 176.419 176.117 0.326 0.000 0.987 418 I CA -0.151 61.266 61.300 0.195 0.000 1.225 418 I CB 1.271 39.341 38.000 0.117 0.000 1.366 418 I HN 0.878 nan 8.210 nan 0.000 0.466 419 S N 4.332 120.197 115.700 0.275 0.000 2.685 419 S HA 0.471 4.942 4.470 0.000 0.000 0.282 419 S C -0.095 174.572 174.600 0.112 0.000 1.159 419 S CA -0.732 57.617 58.200 0.248 0.000 0.833 419 S CB 1.934 65.326 63.200 0.319 0.000 1.151 419 S HN 0.580 nan 8.310 nan 0.000 0.485 420 N N -0.309 118.454 118.700 0.105 0.000 2.238 420 N HA 0.120 4.860 4.740 0.000 0.000 0.222 420 N C 0.753 176.252 175.510 -0.017 0.000 1.133 420 N CA -0.008 53.061 53.050 0.031 0.000 0.854 420 N CB -0.019 38.475 38.487 0.011 0.000 1.041 420 N HN 0.815 nan 8.380 nan 0.000 0.510 421 E N 0.257 120.302 120.200 -0.258 0.000 2.097 421 E HA -0.241 4.110 4.350 0.000 0.000 0.196 421 E C -0.363 176.083 176.600 -0.256 0.000 1.000 421 E CA 0.493 56.473 56.400 -0.701 0.000 0.804 421 E CB -0.169 28.464 29.700 -1.779 0.000 0.740 421 E HN 0.546 nan 8.360 nan 0.000 0.454 422 Y N 1.465 121.661 120.300 -0.174 0.000 2.802 422 Y HA -0.152 4.398 4.550 0.000 0.000 0.333 422 Y C 0.343 176.207 175.900 -0.059 0.000 1.244 422 Y CA 0.764 58.819 58.100 -0.075 0.000 1.558 422 Y CB 0.203 38.649 38.460 -0.024 0.000 1.233 422 Y HN 0.068 nan 8.280 nan 0.000 0.547 423 K N 3.599 123.744 120.400 -0.425 0.000 3.130 423 K HA -0.253 4.067 4.320 0.000 0.000 0.282 423 K C 0.776 177.317 176.600 -0.099 0.000 1.145 423 K CA 0.722 56.809 56.287 -0.333 0.000 0.831 423 K CB -1.840 30.388 32.500 -0.454 0.000 1.226 423 K HN 1.226 nan 8.250 nan 0.000 0.478 424 G N 0.652 109.414 108.800 -0.063 0.000 2.258 424 G HA2 -0.333 3.627 3.960 0.000 0.000 0.274 424 G HA3 -0.333 3.627 3.960 0.000 0.000 0.274 424 G C 0.016 174.918 174.900 0.002 0.000 1.021 424 G CA 0.858 45.971 45.100 0.022 0.000 0.798 424 G HN 0.339 nan 8.290 nan 0.000 0.507 425 M N 0.205 119.734 119.600 -0.119 0.000 2.080 425 M HA 0.265 4.746 4.480 0.000 0.000 0.350 425 M C -1.349 174.725 176.300 -0.377 0.000 1.143 425 M CA -2.037 53.037 55.300 -0.378 0.000 1.064 425 M CB 1.697 34.130 32.600 -0.278 0.000 1.429 425 M HN -0.134 nan 8.290 nan 0.000 0.418 426 P HA -0.039 nan 4.420 nan 0.000 0.228 426 P C 1.075 178.255 177.300 -0.200 0.000 1.151 426 P CA 0.828 63.784 63.100 -0.240 0.000 0.770 426 P CB 0.209 31.794 31.700 -0.193 0.000 0.786 427 G N -1.105 107.515 108.800 -0.300 0.000 3.189 427 G HA2 0.307 4.267 3.960 0.000 0.000 0.225 427 G HA3 0.307 4.267 3.960 0.000 0.000 0.225 427 G C 0.587 175.485 174.900 -0.003 0.000 1.159 427 G CA 0.011 45.050 45.100 -0.102 0.000 0.763 427 G HN 0.372 nan 8.290 nan 0.000 0.549 428 G N -0.102 108.637 108.800 -0.102 0.000 2.441 428 G HA2 0.642 4.602 3.960 0.000 0.000 0.334 428 G HA3 0.642 4.602 3.960 0.000 0.000 0.334 428 G C -0.898 173.858 174.900 -0.242 0.000 1.161 428 G CA -0.724 44.323 45.100 -0.088 0.000 0.935 428 G HN 0.057 nan 8.290 nan 0.000 0.488 429 R N 0.409 120.712 120.500 -0.330 0.000 2.574 429 R HA 0.426 4.766 4.340 0.000 0.000 0.288 429 R C -1.134 175.122 176.300 -0.073 0.000 1.004 429 R CA -0.848 55.070 56.100 -0.304 0.000 0.895 429 R CB 1.887 31.806 30.300 -0.635 0.000 1.191 429 R HN 0.712 nan 8.270 nan 0.000 0.444 430 N N 0.382 119.053 118.700 -0.048 0.000 2.416 430 N HA 0.440 5.180 4.740 0.000 0.000 0.276 430 N C -1.496 173.841 175.510 -0.288 0.000 1.261 430 N CA -0.826 52.089 53.050 -0.225 0.000 0.790 430 N CB 1.994 40.225 38.487 -0.427 0.000 1.554 430 N HN 0.215 nan 8.380 nan 0.000 0.481 431 L N 2.031 122.931 121.223 -0.537 0.000 2.275 431 L HA 0.512 4.852 4.340 0.000 0.000 0.288 431 L C -1.634 174.812 176.870 -0.708 0.000 1.046 431 L CA -0.112 54.457 54.840 -0.451 0.000 0.805 431 L CB -0.134 41.685 42.059 -0.399 0.000 1.193 431 L HN 0.515 nan 8.230 nan 0.000 0.426 432 Y N 3.449 123.373 120.300 -0.626 0.000 2.524 432 Y HA 0.592 5.142 4.550 0.000 0.000 0.344 432 Y C -0.394 175.145 175.900 -0.602 0.000 1.012 432 Y CA -0.867 56.817 58.100 -0.694 0.000 1.068 432 Y CB 1.737 39.588 38.460 -1.015 0.000 1.249 432 Y HN 0.523 nan 8.280 nan 0.000 0.468 433 K N 2.048 122.279 120.400 -0.282 0.000 2.397 433 K HA 0.689 5.009 4.320 0.000 0.000 0.253 433 K C -1.618 174.946 176.600 -0.060 0.000 0.932 433 K CA -0.560 55.501 56.287 -0.377 0.000 0.795 433 K CB 1.708 33.720 32.500 -0.812 0.000 1.159 433 K HN 0.614 nan 8.250 nan 0.000 0.424 434 I N 2.987 123.573 120.570 0.027 0.000 2.304 434 I HA 0.087 4.258 4.170 0.000 0.000 0.291 434 I C 0.239 176.384 176.117 0.046 0.000 1.018 434 I CA -0.747 60.614 61.300 0.103 0.000 1.260 434 I CB 1.375 39.443 38.000 0.112 0.000 1.390 434 I HN 0.713 nan 8.210 nan 0.000 0.475 435 Q N 5.922 125.744 119.800 0.037 0.000 2.244 435 Q HA 0.079 4.420 4.340 0.000 0.000 0.278 435 Q C 0.424 176.310 176.000 -0.190 0.000 1.093 435 Q CA 0.057 55.728 55.803 -0.220 0.000 0.916 435 Q CB 0.844 29.516 28.738 -0.110 0.000 1.159 435 Q HN 0.757 nan 8.270 nan 0.000 0.384 436 L N 2.749 123.799 121.223 -0.288 0.000 2.395 436 L HA -0.094 4.246 4.340 0.000 0.000 0.218 436 L C 2.136 178.944 176.870 -0.104 0.000 1.130 436 L CA 0.801 55.554 54.840 -0.144 0.000 0.826 436 L CB -0.160 41.819 42.059 -0.133 0.000 0.941 436 L HN 0.677 nan 8.230 nan 0.000 0.451 437 S N -1.958 113.656 115.700 -0.144 0.000 2.481 437 S HA -0.068 4.402 4.470 0.000 0.000 0.231 437 S C 0.518 175.065 174.600 -0.087 0.000 0.996 437 S CA 0.322 58.461 58.200 -0.101 0.000 0.942 437 S CB -0.025 63.111 63.200 -0.106 0.000 0.768 437 S HN 0.369 nan 8.310 nan 0.000 0.520 438 D N 0.189 120.533 120.400 -0.093 0.000 2.318 438 D HA 0.152 4.792 4.640 0.000 0.000 0.233 438 D C 0.096 176.327 176.300 -0.115 0.000 1.348 438 D CA -0.754 53.167 54.000 -0.132 0.000 0.983 438 D CB 0.202 40.921 40.800 -0.135 0.000 1.416 438 D HN 0.231 nan 8.370 nan 0.000 0.558 439 Y N 1.404 121.664 120.300 -0.066 0.000 2.574 439 Y HA -0.019 4.531 4.550 0.000 0.000 0.294 439 Y C 1.909 177.801 175.900 -0.013 0.000 1.142 439 Y CA 1.221 59.295 58.100 -0.044 0.000 1.314 439 Y CB -0.534 37.896 38.460 -0.050 0.000 0.991 439 Y HN 0.234 nan 8.280 nan 0.000 0.555 440 T N -1.936 112.436 114.554 -0.304 0.000 3.035 440 T HA 0.001 4.351 4.350 0.000 0.000 0.268 440 T C 0.539 175.217 174.700 -0.037 0.000 1.109 440 T CA 0.202 62.208 62.100 -0.157 0.000 1.119 440 T CB -0.306 68.416 68.868 -0.243 0.000 0.900 440 T HN 0.326 nan 8.240 nan 0.000 0.503 441 K N 1.924 122.306 120.400 -0.030 0.000 2.250 441 K HA 0.509 4.829 4.320 0.000 0.000 0.280 441 K C -1.298 175.338 176.600 0.061 0.000 1.098 441 K CA -0.397 55.895 56.287 0.009 0.000 0.916 441 K CB 1.359 33.854 32.500 -0.008 0.000 1.209 441 K HN 0.119 nan 8.250 nan 0.000 0.461 442 V N 2.399 122.360 119.914 0.080 0.000 2.540 442 V HA 0.318 4.438 4.120 0.000 0.000 0.302 442 V C -0.144 175.998 176.094 0.081 0.000 1.035 442 V CA -0.837 61.532 62.300 0.116 0.000 0.873 442 V CB 2.063 33.996 31.823 0.183 0.000 0.992 442 V HN 0.644 nan 8.190 nan 0.000 0.428 443 T N 2.518 117.093 114.554 0.034 0.000 2.823 443 T HA 0.292 4.643 4.350 0.000 0.000 0.279 443 T C -0.423 174.189 174.700 -0.146 0.000 0.998 443 T CA -0.327 61.745 62.100 -0.047 0.000 0.994 443 T CB 1.466 70.280 68.868 -0.090 0.000 0.960 443 T HN 0.774 nan 8.240 nan 0.000 0.448 444 C N 4.848 123.990 119.300 -0.263 0.000 2.373 444 C HA 0.412 4.872 4.460 0.000 0.000 0.354 444 C C 1.710 176.366 174.990 -0.557 0.000 1.249 444 C CA -0.609 57.999 59.018 -0.683 0.000 1.784 444 C CB -1.935 25.318 27.740 -0.812 0.000 2.408 444 C HN 0.974 nan 8.230 nan 0.000 0.542 445 L N 4.488 125.350 121.223 -0.601 0.000 2.375 445 L HA 0.059 4.400 4.340 0.000 0.000 0.215 445 L C 2.161 178.707 176.870 -0.540 0.000 1.108 445 L CA 1.013 55.577 54.840 -0.460 0.000 0.830 445 L CB -0.318 41.496 42.059 -0.409 0.000 0.959 445 L HN 0.869 nan 8.230 nan 0.000 0.457 446 S N -3.109 112.147 115.700 -0.740 0.000 2.549 446 S HA -0.010 4.460 4.470 0.000 0.000 0.225 446 S C 1.873 176.039 174.600 -0.722 0.000 1.039 446 S CA -0.136 57.505 58.200 -0.931 0.000 0.942 446 S CB -0.346 61.853 63.200 -1.668 0.000 0.881 446 S HN 0.283 nan 8.310 nan 0.000 0.503 447 C N 2.130 120.987 119.300 -0.739 0.000 2.385 447 C HA -0.091 4.369 4.460 0.000 0.000 0.275 447 C C 2.447 177.138 174.990 -0.499 0.000 1.199 447 C CA 1.696 60.203 59.018 -0.850 0.000 1.782 447 C CB -1.009 26.059 27.740 -1.120 0.000 2.068 447 C HN 0.645 nan 8.230 nan 0.000 0.471 448 E N -0.585 119.424 120.200 -0.319 0.000 2.498 448 E HA 0.203 4.554 4.350 0.000 0.000 0.203 448 E C 1.839 178.393 176.600 -0.076 0.000 1.013 448 E CA -0.160 56.156 56.400 -0.141 0.000 0.927 448 E CB -0.027 29.607 29.700 -0.110 0.000 1.012 448 E HN 0.527 nan 8.360 nan 0.000 0.482 449 L N 0.508 121.678 121.223 -0.088 0.000 1.971 449 L HA -0.131 4.209 4.340 0.000 0.000 0.215 449 L C 0.375 177.260 176.870 0.025 0.000 1.072 449 L CA 1.121 55.949 54.840 -0.019 0.000 0.758 449 L CB -0.233 41.827 42.059 0.003 0.000 0.889 449 L HN 0.117 nan 8.230 nan 0.000 0.433 450 N N -0.653 118.082 118.700 0.059 0.000 2.607 450 N HA 0.190 4.930 4.740 0.000 0.000 0.271 450 N C -2.244 173.300 175.510 0.057 0.000 1.142 450 N CA -0.880 52.196 53.050 0.043 0.000 0.810 450 N CB 1.954 40.457 38.487 0.026 0.000 1.306 450 N HN -0.073 nan 8.380 nan 0.000 0.536 451 P HA 0.028 nan 4.420 nan 0.000 0.231 451 P C 0.795 178.146 177.300 0.084 0.000 1.168 451 P CA 0.957 64.114 63.100 0.096 0.000 0.779 451 P CB 0.756 32.523 31.700 0.112 0.000 0.844 452 E N -0.067 120.161 120.200 0.048 0.000 2.075 452 E HA -0.076 4.274 4.350 0.000 0.000 0.190 452 E C 2.076 178.683 176.600 0.011 0.000 0.969 452 E CA 0.663 57.082 56.400 0.030 0.000 0.815 452 E CB -0.122 29.588 29.700 0.017 0.000 0.776 452 E HN 0.210 nan 8.360 nan 0.000 0.457 453 R N -0.268 120.228 120.500 -0.007 0.000 2.223 453 R HA 0.156 4.496 4.340 0.000 0.000 0.198 453 R C 0.111 176.373 176.300 -0.063 0.000 0.984 453 R CA 0.439 56.513 56.100 -0.044 0.000 1.018 453 R CB 0.189 30.449 30.300 -0.067 0.000 0.945 453 R HN -0.058 nan 8.270 nan 0.000 0.479 454 c N 1.439 120.016 118.600 -0.039 0.000 2.356 454 c HA 0.427 4.998 4.570 0.000 0.000 0.324 454 c C -0.318 173.767 174.090 -0.009 0.000 1.167 454 c CA -0.577 55.680 56.329 -0.119 0.000 1.420 454 c CB 1.122 43.540 42.510 -0.154 0.000 2.036 454 c HN 0.608 nan 8.230 nan 0.000 0.435 455 Q N 0.612 120.398 119.800 -0.023 0.000 2.103 455 Q HA 0.208 4.549 4.340 0.000 0.000 0.219 455 Q C -0.956 175.104 176.000 0.100 0.000 0.784 455 Q CA 0.061 55.929 55.803 0.109 0.000 1.014 455 Q CB 1.312 30.129 28.738 0.132 0.000 1.183 455 Q HN 0.772 nan 8.270 nan 0.000 0.469 456 Y N 0.432 120.621 120.300 -0.185 0.000 2.402 456 Y HA 0.378 4.929 4.550 0.000 0.000 0.325 456 Y C -1.637 174.097 175.900 -0.276 0.000 1.009 456 Y CA -1.040 56.978 58.100 -0.137 0.000 1.278 456 Y CB 0.797 39.190 38.460 -0.112 0.000 1.105 456 Y HN -0.056 nan 8.280 nan 0.000 0.476 457 Y N 2.569 122.817 120.300 -0.087 0.000 2.393 457 Y HA 0.570 5.120 4.550 0.000 0.000 0.341 457 Y C 0.233 176.102 175.900 -0.051 0.000 0.988 457 Y CA -0.740 57.322 58.100 -0.063 0.000 1.078 457 Y CB 2.098 40.482 38.460 -0.127 0.000 1.203 457 Y HN 0.528 nan 8.280 nan 0.000 0.453 458 S N 1.557 117.347 115.700 0.150 0.000 2.664 458 S HA 0.840 5.310 4.470 0.000 0.000 0.304 458 S C -1.236 173.432 174.600 0.114 0.000 1.099 458 S CA -0.795 57.481 58.200 0.126 0.000 1.003 458 S CB 1.988 65.268 63.200 0.133 0.000 1.092 458 S HN 0.533 nan 8.310 nan 0.000 0.525 459 V N 0.624 120.598 119.914 0.099 0.000 2.789 459 V HA 0.800 4.921 4.120 0.000 0.000 0.311 459 V C -0.843 175.306 176.094 0.092 0.000 1.073 459 V CA -0.388 61.934 62.300 0.036 0.000 0.921 459 V CB 2.245 34.008 31.823 -0.099 0.000 1.009 459 V HN 1.097 nan 8.190 nan 0.000 0.426 460 S N 5.353 121.097 115.700 0.072 0.000 2.552 460 S HA 0.728 5.198 4.470 0.000 0.000 0.314 460 S C -1.184 173.495 174.600 0.132 0.000 1.099 460 S CA -0.378 57.954 58.200 0.221 0.000 1.070 460 S CB 0.653 64.052 63.200 0.331 0.000 0.998 460 S HN 0.505 nan 8.310 nan 0.000 0.474 461 F N 2.946 122.964 119.950 0.113 0.000 2.425 461 F HA 0.444 4.971 4.527 0.000 0.000 0.331 461 F C 1.298 176.723 175.800 -0.625 0.000 1.085 461 F CA -0.392 57.508 58.000 -0.166 0.000 1.028 461 F CB 1.711 40.596 39.000 -0.192 0.000 1.177 461 F HN 0.665 nan 8.300 nan 0.000 0.487 462 S N 2.162 117.291 115.700 -0.950 0.000 2.617 462 S HA 0.092 4.562 4.470 0.000 0.000 0.255 462 S C 1.366 175.742 174.600 -0.374 0.000 1.318 462 S CA -0.651 56.802 58.200 -1.246 0.000 0.978 462 S CB 0.628 63.105 63.200 -1.204 0.000 0.961 462 S HN 0.704 nan 8.310 nan 0.000 0.582 463 K N 0.367 120.646 120.400 -0.200 0.000 2.074 463 K HA -0.128 4.192 4.320 0.000 0.000 0.209 463 K C 1.197 177.774 176.600 -0.039 0.000 1.048 463 K CA 1.994 58.257 56.287 -0.041 0.000 0.926 463 K CB -0.330 32.171 32.500 0.001 0.000 0.713 463 K HN 0.768 nan 8.250 nan 0.000 0.444 464 E N -1.348 118.807 120.200 -0.075 0.000 2.558 464 E HA 0.239 4.589 4.350 0.000 0.000 0.205 464 E C -0.459 176.103 176.600 -0.064 0.000 1.006 464 E CA 0.450 56.823 56.400 -0.045 0.000 0.961 464 E CB 0.526 30.206 29.700 -0.033 0.000 1.044 464 E HN 0.295 nan 8.360 nan 0.000 0.465 465 A N 0.636 123.405 122.820 -0.085 0.000 2.832 465 A HA -0.342 3.979 4.320 0.000 0.000 0.280 465 A C 1.440 179.011 177.584 -0.022 0.000 1.464 465 A CA 1.461 53.477 52.037 -0.036 0.000 0.804 465 A CB -2.013 16.791 19.000 -0.327 0.000 1.020 465 A HN 0.331 nan 8.150 nan 0.000 0.563 466 K N -1.830 118.505 120.400 -0.108 0.000 2.167 466 K HA 0.105 4.425 4.320 0.000 0.000 0.203 466 K C -0.002 176.309 176.600 -0.482 0.000 1.052 466 K CA 1.353 57.482 56.287 -0.263 0.000 0.956 466 K CB 0.028 32.372 32.500 -0.260 0.000 0.735 466 K HN 0.691 nan 8.250 nan 0.000 0.451 467 Y N -0.723 119.506 120.300 -0.119 0.000 2.545 467 Y HA 0.296 4.846 4.550 0.000 0.000 0.348 467 Y C -1.040 174.761 175.900 -0.165 0.000 1.002 467 Y CA -1.400 56.619 58.100 -0.136 0.000 1.039 467 Y CB 1.745 40.125 38.460 -0.134 0.000 1.271 467 Y HN -0.050 nan 8.280 nan 0.000 0.467 468 Y N -0.519 119.753 120.300 -0.046 0.000 2.470 468 Y HA 0.514 5.064 4.550 0.000 0.000 0.341 468 Y C -1.101 174.827 175.900 0.045 0.000 1.021 468 Y CA -1.456 56.481 58.100 -0.273 0.000 1.025 468 Y CB 1.403 39.253 38.460 -1.017 0.000 1.266 468 Y HN 0.613 nan 8.280 nan 0.000 0.448 469 Q N 4.164 124.085 119.800 0.202 0.000 2.256 469 Q HA 0.529 4.869 4.340 0.000 0.000 0.254 469 Q C -1.696 174.403 176.000 0.166 0.000 0.916 469 Q CA -0.630 55.257 55.803 0.139 0.000 0.932 469 Q CB 1.136 29.921 28.738 0.079 0.000 1.207 469 Q HN 0.975 nan 8.270 nan 0.000 0.426 470 L N 4.622 125.972 121.223 0.211 0.000 2.307 470 L HA 0.540 4.880 4.340 0.000 0.000 0.284 470 L C -0.370 176.547 176.870 0.078 0.000 1.023 470 L CA -0.614 54.345 54.840 0.197 0.000 0.810 470 L CB 1.447 43.660 42.059 0.256 0.000 1.231 470 L HN 0.618 nan 8.230 nan 0.000 0.423 471 R N 2.719 123.216 120.500 -0.005 0.000 2.337 471 R HA 0.364 4.704 4.340 0.000 0.000 0.319 471 R C -0.848 175.257 176.300 -0.324 0.000 0.954 471 R CA -0.594 55.290 56.100 -0.361 0.000 0.840 471 R CB 1.511 31.586 30.300 -0.375 0.000 1.164 471 R HN 0.661 nan 8.270 nan 0.000 0.472 472 c N 1.318 119.615 118.600 -0.505 0.000 2.330 472 c HA 0.446 5.016 4.570 0.000 0.000 0.344 472 c C 1.094 174.970 174.090 -0.356 0.000 1.273 472 c CA -0.347 55.603 56.329 -0.633 0.000 1.879 472 c CB 1.172 43.097 42.510 -0.974 0.000 2.376 472 c HN 0.879 nan 8.230 nan 0.000 0.534 473 S N 2.449 118.027 115.700 -0.202 0.000 2.524 473 S HA 0.547 5.018 4.470 0.000 0.000 0.215 473 S C 0.725 175.287 174.600 -0.063 0.000 0.986 473 S CA 0.512 58.643 58.200 -0.115 0.000 0.911 473 S CB 0.231 63.349 63.200 -0.135 0.000 0.805 473 S HN 1.476 nan 8.310 nan 0.000 0.501 474 G N 1.354 110.107 108.800 -0.077 0.000 2.320 474 G HA2 0.287 4.248 3.960 0.000 0.000 0.296 474 G HA3 0.287 4.248 3.960 0.000 0.000 0.296 474 G C -2.921 171.965 174.900 -0.022 0.000 1.306 474 G CA -0.620 44.470 45.100 -0.017 0.000 0.836 474 G HN -0.193 nan 8.290 nan 0.000 0.517 475 P HA 0.106 nan 4.420 nan 0.000 0.223 475 P C 1.370 178.679 177.300 0.015 0.000 1.151 475 P CA 1.441 64.566 63.100 0.041 0.000 0.787 475 P CB 0.186 31.909 31.700 0.039 0.000 0.788 476 G N 0.370 109.119 108.800 -0.084 0.000 2.553 476 G HA2 0.359 4.319 3.960 0.000 0.000 0.278 476 G HA3 0.359 4.319 3.960 0.000 0.000 0.278 476 G C -0.189 174.462 174.900 -0.415 0.000 1.349 476 G CA -0.691 44.282 45.100 -0.211 0.000 1.037 476 G HN 0.055 nan 8.290 nan 0.000 0.508 477 L N 1.039 121.943 121.223 -0.530 0.000 2.483 477 L HA 0.159 4.499 4.340 0.000 0.000 0.276 477 L C -1.826 174.884 176.870 -0.267 0.000 1.213 477 L CA -1.276 53.221 54.840 -0.571 0.000 0.843 477 L CB 0.328 42.142 42.059 -0.409 0.000 1.107 477 L HN 0.239 nan 8.230 nan 0.000 0.487 478 P HA 0.034 nan 4.420 nan 0.000 0.266 478 P C -0.940 176.328 177.300 -0.054 0.000 1.193 478 P CA 0.043 63.094 63.100 -0.082 0.000 0.770 478 P CB 0.534 32.282 31.700 0.080 0.000 0.836 479 L N 4.467 125.595 121.223 -0.158 0.000 2.439 479 L HA 0.444 4.785 4.340 0.000 0.000 0.270 479 L C -1.728 175.037 176.870 -0.175 0.000 0.972 479 L CA -0.589 54.207 54.840 -0.074 0.000 0.836 479 L CB 1.010 43.017 42.059 -0.086 0.000 1.255 479 L HN 0.256 nan 8.230 nan 0.000 0.404 480 Y N 2.845 123.094 120.300 -0.084 0.000 2.331 480 Y HA 0.708 5.259 4.550 0.000 0.000 0.338 480 Y C 0.525 176.303 175.900 -0.203 0.000 0.992 480 Y CA -0.465 57.559 58.100 -0.127 0.000 1.121 480 Y CB 2.075 40.429 38.460 -0.176 0.000 1.184 480 Y HN 0.651 nan 8.280 nan 0.000 0.469 481 T N 1.781 116.306 114.554 -0.048 0.000 2.906 481 T HA 0.607 4.958 4.350 0.000 0.000 0.295 481 T C -1.471 173.022 174.700 -0.344 0.000 1.061 481 T CA -0.939 61.043 62.100 -0.197 0.000 1.000 481 T CB 1.899 70.702 68.868 -0.109 0.000 1.103 481 T HN 0.472 nan 8.240 nan 0.000 0.486 482 L N 2.295 123.167 121.223 -0.585 0.000 2.346 482 L HA 0.588 4.928 4.340 0.000 0.000 0.276 482 L C -0.884 175.499 176.870 -0.812 0.000 1.006 482 L CA -0.532 54.006 54.840 -0.504 0.000 0.817 482 L CB 1.460 43.352 42.059 -0.279 0.000 1.272 482 L HN 0.906 nan 8.230 nan 0.000 0.421 483 H N 1.534 120.382 119.070 -0.371 0.000 2.961 483 H HA 0.308 4.864 4.556 0.000 0.000 0.371 483 H C -0.579 174.521 175.328 -0.379 0.000 1.190 483 H CA -0.707 55.016 56.048 -0.541 0.000 1.138 483 H CB 2.270 31.313 29.762 -1.197 0.000 1.816 483 H HN 0.534 nan 8.280 nan 0.000 0.551 484 S N 0.537 116.173 115.700 -0.107 0.000 2.480 484 S HA 0.200 4.671 4.470 0.000 0.000 0.286 484 S C 0.699 175.257 174.600 -0.069 0.000 1.180 484 S CA -0.640 57.482 58.200 -0.131 0.000 1.075 484 S CB 1.651 64.791 63.200 -0.100 0.000 0.996 484 S HN 0.560 nan 8.310 nan 0.000 0.487 485 S N 2.390 118.062 115.700 -0.045 0.000 2.428 485 S HA -0.071 4.399 4.470 0.000 0.000 0.230 485 S C 1.900 176.512 174.600 0.020 0.000 1.014 485 S CA 0.826 59.096 58.200 0.117 0.000 0.957 485 S CB -0.505 62.754 63.200 0.099 0.000 0.784 485 S HN 0.644 nan 8.310 nan 0.000 0.499 486 V N 2.564 122.449 119.914 -0.049 0.000 2.324 486 V HA -0.173 3.947 4.120 0.000 0.000 0.250 486 V C 1.538 177.626 176.094 -0.009 0.000 1.060 486 V CA 1.629 63.914 62.300 -0.025 0.000 1.042 486 V CB -0.413 31.387 31.823 -0.038 0.000 0.650 486 V HN 0.500 nan 8.190 nan 0.000 0.450 487 N N -1.789 116.905 118.700 -0.010 0.000 2.143 487 N HA 0.077 4.817 4.740 0.000 0.000 0.229 487 N C -0.350 175.161 175.510 0.001 0.000 1.294 487 N CA 0.191 53.238 53.050 -0.005 0.000 0.883 487 N CB 0.668 39.155 38.487 -0.000 0.000 1.148 487 N HN 0.392 nan 8.380 nan 0.000 0.511 488 D N 1.456 121.874 120.400 0.030 0.000 2.708 488 D HA -0.184 4.457 4.640 0.000 0.000 0.236 488 D C 0.103 176.425 176.300 0.037 0.000 1.146 488 D CA 1.029 55.074 54.000 0.075 0.000 0.662 488 D CB -0.994 39.839 40.800 0.055 0.000 1.059 488 D HN 0.581 nan 8.370 nan 0.000 0.428 489 K N -0.753 119.659 120.400 0.021 0.000 2.098 489 K HA 0.572 4.892 4.320 0.000 0.000 0.261 489 K C 0.590 177.212 176.600 0.035 0.000 0.987 489 K CA -0.575 55.725 56.287 0.022 0.000 0.916 489 K CB 1.428 33.931 32.500 0.004 0.000 1.039 489 K HN -0.044 nan 8.250 nan 0.000 0.455 490 G N 3.040 111.863 108.800 0.039 0.000 2.351 490 G HA2 0.207 4.167 3.960 0.000 0.000 0.287 490 G HA3 0.207 4.167 3.960 0.000 0.000 0.287 490 G C 0.395 175.218 174.900 -0.129 0.000 1.159 490 G CA -0.738 44.332 45.100 -0.051 0.000 0.929 490 G HN 0.657 nan 8.290 nan 0.000 0.435 491 L N 2.049 123.144 121.223 -0.213 0.000 1.993 491 L HA 0.244 4.584 4.340 0.000 0.000 0.206 491 L C 1.703 178.490 176.870 -0.139 0.000 1.074 491 L CA 0.960 55.717 54.840 -0.138 0.000 0.746 491 L CB -0.244 41.751 42.059 -0.107 0.000 0.896 491 L HN 0.637 nan 8.230 nan 0.000 0.435 492 R N -0.956 119.419 120.500 -0.207 0.000 2.733 492 R HA 0.374 4.714 4.340 0.000 0.000 0.272 492 R C -1.545 174.619 176.300 -0.226 0.000 1.029 492 R CA -0.660 55.338 56.100 -0.170 0.000 0.888 492 R CB 1.221 31.456 30.300 -0.108 0.000 1.251 492 R HN -0.181 nan 8.270 nan 0.000 0.464 493 V N 2.999 122.813 119.914 -0.165 0.000 2.432 493 V HA 0.201 4.321 4.120 0.000 0.000 0.271 493 V C 1.572 177.536 176.094 -0.216 0.000 1.046 493 V CA -0.338 61.864 62.300 -0.163 0.000 0.945 493 V CB 0.956 32.725 31.823 -0.090 0.000 0.992 493 V HN 0.616 nan 8.190 nan 0.000 0.471 494 L N 2.417 123.435 121.223 -0.341 0.000 2.145 494 L HA 0.283 4.623 4.340 0.000 0.000 0.201 494 L C 0.809 177.481 176.870 -0.330 0.000 1.075 494 L CA 0.773 55.234 54.840 -0.633 0.000 0.773 494 L CB 0.166 41.372 42.059 -1.422 0.000 0.936 494 L HN 0.648 nan 8.230 nan 0.000 0.451 495 E N 0.071 120.188 120.200 -0.138 0.000 2.294 495 E HA 0.085 4.435 4.350 0.000 0.000 0.272 495 E C -0.857 175.793 176.600 0.084 0.000 0.896 495 E CA -0.366 56.055 56.400 0.035 0.000 0.802 495 E CB 1.078 30.819 29.700 0.068 0.000 1.267 495 E HN 0.177 nan 8.360 nan 0.000 0.406 496 D N 3.430 123.856 120.400 0.044 0.000 2.369 496 D HA 0.043 4.684 4.640 0.000 0.000 0.211 496 D C -0.332 175.980 176.300 0.021 0.000 1.077 496 D CA -0.146 53.868 54.000 0.025 0.000 0.842 496 D CB -0.054 40.745 40.800 -0.001 0.000 0.947 496 D HN 0.488 nan 8.370 nan 0.000 0.509 497 N N 0.485 119.212 118.700 0.046 0.000 2.725 497 N HA -0.200 4.540 4.740 0.000 0.000 0.249 497 N C 0.910 176.432 175.510 0.019 0.000 1.103 497 N CA 0.911 53.984 53.050 0.039 0.000 0.707 497 N CB -1.488 37.014 38.487 0.026 0.000 1.043 497 N HN 0.485 nan 8.380 nan 0.000 0.553 498 S N -1.321 114.391 115.700 0.021 0.000 2.453 498 S HA 0.071 4.541 4.470 0.000 0.000 0.231 498 S C 2.041 176.659 174.600 0.030 0.000 1.005 498 S CA 0.728 58.938 58.200 0.016 0.000 0.949 498 S CB 0.089 63.297 63.200 0.015 0.000 0.774 498 S HN 0.485 nan 8.310 nan 0.000 0.510 499 A N 1.830 124.677 122.820 0.044 0.000 1.898 499 A HA 0.143 4.463 4.320 0.000 0.000 0.216 499 A C 2.173 179.803 177.584 0.078 0.000 1.181 499 A CA 1.365 53.437 52.037 0.058 0.000 0.620 499 A CB -0.840 18.197 19.000 0.061 0.000 0.819 499 A HN 0.495 nan 8.150 nan 0.000 0.442 500 L N 0.508 121.779 121.223 0.080 0.000 2.046 500 L HA -0.167 4.174 4.340 0.000 0.000 0.208 500 L C 2.027 178.935 176.870 0.063 0.000 1.077 500 L CA 2.527 57.429 54.840 0.104 0.000 0.747 500 L CB -0.636 41.481 42.059 0.097 0.000 0.896 500 L HN 0.556 nan 8.230 nan 0.000 0.432 501 D N -0.942 119.468 120.400 0.017 0.000 2.178 501 D HA -0.240 4.400 4.640 0.000 0.000 0.201 501 D C 1.981 178.289 176.300 0.013 0.000 0.980 501 D CA 0.857 54.850 54.000 -0.011 0.000 0.842 501 D CB 0.360 41.142 40.800 -0.030 0.000 0.948 501 D HN 0.182 nan 8.370 nan 0.000 0.472 502 K N 0.080 120.501 120.400 0.035 0.000 2.026 502 K HA -0.056 4.265 4.320 0.000 0.000 0.208 502 K C 2.308 178.947 176.600 0.065 0.000 1.048 502 K CA 1.080 57.394 56.287 0.045 0.000 0.929 502 K CB -0.154 32.377 32.500 0.051 0.000 0.713 502 K HN 0.190 nan 8.250 nan 0.000 0.439 503 M N -0.534 119.127 119.600 0.102 0.000 2.099 503 M HA -0.110 4.370 4.480 0.000 0.000 0.262 503 M C 1.222 177.573 176.300 0.085 0.000 1.067 503 M CA 0.967 56.366 55.300 0.165 0.000 1.124 503 M CB -0.142 32.653 32.600 0.326 0.000 1.353 503 M HN 0.023 nan 8.290 nan 0.000 0.410 504 L N 0.451 121.673 121.223 -0.002 0.000 2.622 504 L HA -0.071 4.269 4.340 0.000 0.000 0.233 504 L C 2.131 178.976 176.870 -0.042 0.000 1.156 504 L CA 1.404 56.187 54.840 -0.095 0.000 0.866 504 L CB -1.290 40.708 42.059 -0.103 0.000 0.980 504 L HN 0.404 nan 8.230 nan 0.000 0.448 505 Q N 0.117 119.914 119.800 -0.005 0.000 2.167 505 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 505 Q C 1.351 177.360 176.000 0.014 0.000 0.970 505 Q CA 1.439 57.244 55.803 0.003 0.000 0.855 505 Q CB 0.169 28.915 28.738 0.014 0.000 0.911 505 Q HN 0.657 nan 8.270 nan 0.000 0.438 506 N N -1.174 117.543 118.700 0.028 0.000 2.205 506 N HA 0.026 4.766 4.740 0.000 0.000 0.201 506 N C -0.149 175.389 175.510 0.046 0.000 1.128 506 N CA 0.038 53.114 53.050 0.042 0.000 0.867 506 N CB 0.356 38.876 38.487 0.055 0.000 0.996 506 N HN -0.112 nan 8.380 nan 0.000 0.503 507 V N 2.270 122.199 119.914 0.024 0.000 2.508 507 V HA 0.060 4.180 4.120 0.000 0.000 0.281 507 V C 0.557 176.649 176.094 -0.003 0.000 1.041 507 V CA -0.441 61.867 62.300 0.014 0.000 1.016 507 V CB 0.686 32.460 31.823 -0.081 0.000 0.984 507 V HN 0.208 nan 8.190 nan 0.000 0.478 508 Q N 5.122 124.931 119.800 0.015 0.000 2.263 508 Q HA 0.251 4.591 4.340 0.000 0.000 0.270 508 Q C -0.445 175.526 176.000 -0.049 0.000 1.104 508 Q CA 0.098 55.882 55.803 -0.032 0.000 0.909 508 Q CB 0.477 29.201 28.738 -0.023 0.000 1.214 508 Q HN 0.551 nan 8.270 nan 0.000 0.400 509 M N 4.162 123.711 119.600 -0.084 0.000 2.537 509 M HA 0.471 4.951 4.480 0.000 0.000 0.324 509 M C -2.124 174.101 176.300 -0.125 0.000 1.187 509 M CA -2.674 52.569 55.300 -0.095 0.000 0.993 509 M CB 0.934 33.485 32.600 -0.082 0.000 1.666 509 M HN 0.365 nan 8.290 nan 0.000 0.461 510 P HA 0.209 nan 4.420 nan 0.000 0.274 510 P C -0.827 176.385 177.300 -0.147 0.000 1.256 510 P CA -0.276 62.724 63.100 -0.166 0.000 0.795 510 P CB 0.450 32.034 31.700 -0.192 0.000 1.038 511 S N -1.112 114.484 115.700 -0.173 0.000 2.566 511 S HA 0.509 4.979 4.470 0.000 0.000 0.298 511 S C -0.544 173.954 174.600 -0.170 0.000 1.083 511 S CA -0.910 57.204 58.200 -0.144 0.000 0.978 511 S CB 1.968 65.084 63.200 -0.140 0.000 1.073 511 S HN 0.433 nan 8.310 nan 0.000 0.491 512 K N 1.146 121.476 120.400 -0.117 0.000 2.185 512 K HA 0.355 4.675 4.320 0.000 0.000 0.269 512 K C -0.966 175.569 176.600 -0.109 0.000 0.987 512 K CA -0.501 55.718 56.287 -0.114 0.000 0.865 512 K CB 1.104 33.565 32.500 -0.066 0.000 1.090 512 K HN 0.771 nan 8.250 nan 0.000 0.450 513 K N 5.534 125.852 120.400 -0.136 0.000 2.244 513 K HA 0.294 4.615 4.320 0.000 0.000 0.260 513 K C -1.375 175.153 176.600 -0.121 0.000 0.951 513 K CA -0.751 55.463 56.287 -0.122 0.000 0.826 513 K CB 1.025 33.433 32.500 -0.155 0.000 1.108 513 K HN 0.450 nan 8.250 nan 0.000 0.433 514 L N 4.636 125.813 121.223 -0.076 0.000 2.343 514 L HA 0.496 4.836 4.340 0.000 0.000 0.278 514 L C -1.397 175.473 176.870 -0.001 0.000 0.996 514 L CA -0.014 54.812 54.840 -0.023 0.000 0.831 514 L CB 1.251 43.363 42.059 0.088 0.000 1.232 514 L HN 0.915 nan 8.230 nan 0.000 0.413 515 D N 3.556 123.808 120.400 -0.246 0.000 2.825 515 D HA 0.511 5.151 4.640 0.000 0.000 0.327 515 D C -1.516 174.555 176.300 -0.382 0.000 1.277 515 D CA 0.036 53.830 54.000 -0.342 0.000 0.950 515 D CB 2.196 42.731 40.800 -0.442 0.000 1.438 515 D HN 0.258 nan 8.370 nan 0.000 0.526 516 F N 0.088 119.839 119.950 -0.333 0.000 2.576 516 F HA 0.692 5.219 4.527 0.001 0.000 0.313 516 F C -0.463 175.457 175.800 0.201 0.000 1.078 516 F CA -1.119 56.752 58.000 -0.215 0.000 0.921 516 F CB 0.713 39.085 39.000 -1.047 0.000 1.232 516 F HN 0.252 nan 8.300 nan 0.000 0.459 517 I N 0.119 121.005 120.570 0.526 0.000 2.863 517 I HA 0.652 4.823 4.170 0.000 0.000 0.311 517 I C -0.932 175.416 176.117 0.386 0.000 1.026 517 I CA -1.168 60.340 61.300 0.347 0.000 1.077 517 I CB 2.335 40.437 38.000 0.170 0.000 1.262 517 I HN 0.686 nan 8.210 nan 0.000 0.461 518 I N 4.740 125.470 120.570 0.267 0.000 2.697 518 I HA 0.295 4.465 4.170 0.000 0.000 0.279 518 I C -0.679 175.555 176.117 0.196 0.000 1.171 518 I CA -0.289 61.147 61.300 0.226 0.000 1.135 518 I CB 0.628 38.731 38.000 0.172 0.000 1.445 518 I HN 0.388 nan 8.210 nan 0.000 0.541 519 L N 5.058 126.467 121.223 0.309 0.000 2.361 519 L HA 0.260 4.600 4.340 0.000 0.000 0.278 519 L C 0.848 177.859 176.870 0.234 0.000 1.113 519 L CA -0.286 54.704 54.840 0.250 0.000 0.849 519 L CB -0.012 42.205 42.059 0.263 0.000 1.155 519 L HN 0.561 nan 8.230 nan 0.000 0.452 520 N N 3.342 122.114 118.700 0.121 0.000 2.714 520 N HA -0.220 4.520 4.740 0.000 0.000 0.253 520 N C 0.547 176.096 175.510 0.065 0.000 1.024 520 N CA 1.250 54.349 53.050 0.082 0.000 0.726 520 N CB -0.406 38.127 38.487 0.077 0.000 0.908 520 N HN 0.863 nan 8.380 nan 0.000 0.542 521 E N -3.373 116.858 120.200 0.052 0.000 3.870 521 E HA -0.229 4.121 4.350 0.000 0.000 0.329 521 E C -0.426 176.165 176.600 -0.015 0.000 0.702 521 E CA 1.849 58.260 56.400 0.019 0.000 1.174 521 E CB -1.047 28.656 29.700 0.006 0.000 1.619 521 E HN 0.543 nan 8.360 nan 0.000 0.441 522 T N 1.053 115.600 114.554 -0.012 0.000 2.799 522 T HA 0.312 4.662 4.350 0.000 0.000 0.286 522 T C 0.053 174.610 174.700 -0.239 0.000 0.973 522 T CA -0.689 61.307 62.100 -0.173 0.000 1.035 522 T CB 1.458 70.171 68.868 -0.258 0.000 0.932 522 T HN -0.007 nan 8.240 nan 0.000 0.469 523 K N 2.407 122.596 120.400 -0.352 0.000 2.368 523 K HA 0.350 4.670 4.320 0.000 0.000 0.282 523 K C -1.070 175.239 176.600 -0.486 0.000 1.035 523 K CA 0.101 56.176 56.287 -0.354 0.000 0.973 523 K CB 0.373 32.555 32.500 -0.529 0.000 0.957 523 K HN 0.444 nan 8.250 nan 0.000 0.474 524 F N 2.002 122.003 119.950 0.085 0.000 2.556 524 F HA 0.311 4.838 4.527 0.000 0.000 0.314 524 F C -0.535 175.395 175.800 0.216 0.000 1.106 524 F CA -0.802 57.292 58.000 0.155 0.000 0.911 524 F CB 1.034 40.163 39.000 0.215 0.000 1.190 524 F HN 0.450 nan 8.300 nan 0.000 0.448 525 W N 3.255 124.759 121.300 0.340 0.000 2.375 525 W HA 0.568 5.228 4.660 0.000 0.000 0.336 525 W C -0.724 176.061 176.519 0.444 0.000 1.160 525 W CA -0.615 56.956 57.345 0.376 0.000 1.266 525 W CB 0.830 30.425 29.460 0.225 0.000 1.195 525 W HN 0.450 nan 8.180 nan 0.000 0.599 526 Y N -0.376 120.292 120.300 0.613 0.000 2.597 526 Y HA 0.607 5.157 4.550 0.000 0.000 0.340 526 Y C -1.005 175.135 175.900 0.400 0.000 1.097 526 Y CA -1.802 56.643 58.100 0.575 0.000 1.037 526 Y CB 1.163 40.121 38.460 0.830 0.000 1.305 526 Y HN 0.554 nan 8.280 nan 0.000 0.463 527 Q N 2.603 122.593 119.800 0.317 0.000 2.394 527 Q HA 0.698 5.039 4.340 0.000 0.000 0.273 527 Q C -1.780 174.306 176.000 0.142 0.000 1.089 527 Q CA -1.159 54.706 55.803 0.104 0.000 0.812 527 Q CB 3.162 31.954 28.738 0.089 0.000 1.353 527 Q HN 0.902 nan 8.270 nan 0.000 0.438 528 M N 2.947 122.552 119.600 0.009 0.000 2.190 528 M HA 0.387 4.867 4.480 0.000 0.000 0.312 528 M C -1.169 175.037 176.300 -0.157 0.000 0.990 528 M CA -0.911 54.342 55.300 -0.078 0.000 0.927 528 M CB 1.774 34.287 32.600 -0.145 0.000 1.571 528 M HN 0.613 nan 8.290 nan 0.000 0.427 529 I N 5.780 126.265 120.570 -0.143 0.000 2.347 529 I HA 0.226 4.396 4.170 0.000 0.000 0.294 529 I C -0.391 175.558 176.117 -0.279 0.000 1.090 529 I CA -0.041 61.146 61.300 -0.188 0.000 1.314 529 I CB -0.403 37.508 38.000 -0.147 0.000 1.423 529 I HN 0.627 nan 8.210 nan 0.000 0.503 530 L N 8.677 129.678 121.223 -0.371 0.000 2.295 530 L HA 0.440 4.780 4.340 0.000 0.000 0.285 530 L C -2.161 174.481 176.870 -0.380 0.000 1.035 530 L CA -1.814 52.696 54.840 -0.550 0.000 0.806 530 L CB 1.165 42.693 42.059 -0.885 0.000 1.214 530 L HN 0.280 nan 8.230 nan 0.000 0.426 531 P HA 0.079 nan 4.420 nan 0.000 0.268 531 P C -2.446 174.768 177.300 -0.142 0.000 1.208 531 P CA -0.869 62.108 63.100 -0.205 0.000 0.777 531 P CB -0.173 31.426 31.700 -0.170 0.000 0.875 532 P HA -0.087 nan 4.420 nan 0.000 0.267 532 P C -0.290 176.909 177.300 -0.168 0.000 1.195 532 P CA 0.687 63.624 63.100 -0.271 0.000 0.773 532 P CB -0.385 31.076 31.700 -0.400 0.000 0.837 533 H N -2.184 116.922 119.070 0.060 0.000 2.861 533 H HA -0.230 4.327 4.556 0.001 0.000 0.289 533 H C 0.096 175.488 175.328 0.107 0.000 1.176 533 H CA -0.287 55.803 56.048 0.071 0.000 1.146 533 H CB -2.346 27.452 29.762 0.059 0.000 1.330 533 H HN 0.310 nan 8.280 nan 0.000 0.379 534 F N 2.506 122.452 119.950 -0.007 0.000 2.604 534 F HA 0.051 4.578 4.527 0.001 0.000 0.393 534 F C 0.534 176.348 175.800 0.024 0.000 1.043 534 F CA 0.069 58.021 58.000 -0.080 0.000 1.227 534 F CB 0.406 39.253 39.000 -0.254 0.000 1.016 534 F HN 0.239 nan 8.300 nan 0.000 0.556 535 D N 6.202 126.308 120.400 -0.491 0.000 2.471 535 D HA 0.177 4.817 4.640 0.000 0.000 0.245 535 D C 0.538 176.456 176.300 -0.637 0.000 1.116 535 D CA -0.445 53.304 54.000 -0.419 0.000 0.853 535 D CB 1.252 41.971 40.800 -0.134 0.000 1.123 535 D HN 0.635 nan 8.370 nan 0.000 0.540 536 K N 1.013 121.032 120.400 -0.635 0.000 2.442 536 K HA -0.036 4.284 4.320 0.000 0.000 0.199 536 K C 1.119 177.690 176.600 -0.049 0.000 1.044 536 K CA 0.603 56.702 56.287 -0.314 0.000 0.941 536 K CB 0.267 32.711 32.500 -0.093 0.000 0.759 536 K HN 0.207 nan 8.250 nan 0.000 0.472 537 S N 0.377 116.020 115.700 -0.095 0.000 2.593 537 S HA 0.057 4.527 4.470 0.000 0.000 0.217 537 S C 0.197 174.754 174.600 -0.071 0.000 0.966 537 S CA 0.405 58.573 58.200 -0.052 0.000 0.914 537 S CB 0.231 63.397 63.200 -0.057 0.000 0.776 537 S HN 0.211 nan 8.310 nan 0.000 0.523 538 K N 1.401 121.737 120.400 -0.106 0.000 2.123 538 K HA 0.366 4.686 4.320 0.000 0.000 0.248 538 K C -0.477 176.048 176.600 -0.124 0.000 0.969 538 K CA -0.704 55.462 56.287 -0.201 0.000 0.882 538 K CB 0.681 32.919 32.500 -0.436 0.000 1.080 538 K HN -0.169 nan 8.250 nan 0.000 0.441 539 K N 2.603 122.883 120.400 -0.201 0.000 2.334 539 K HA 0.251 4.571 4.320 0.000 0.000 0.265 539 K C -1.001 175.486 176.600 -0.188 0.000 1.039 539 K CA -0.361 55.873 56.287 -0.089 0.000 0.920 539 K CB 0.632 33.083 32.500 -0.081 0.000 1.160 539 K HN 0.459 nan 8.250 nan 0.000 0.451 540 Y N 3.132 123.464 120.300 0.052 0.000 2.334 540 Y HA 0.228 4.778 4.550 0.000 0.000 0.328 540 Y C -1.681 174.168 175.900 -0.084 0.000 1.130 540 Y CA -2.248 55.860 58.100 0.015 0.000 1.163 540 Y CB 0.774 39.303 38.460 0.115 0.000 1.207 540 Y HN 0.429 nan 8.280 nan 0.000 0.471 541 P HA 0.022 nan 4.420 nan 0.000 0.268 541 P C -0.935 176.249 177.300 -0.193 0.000 1.205 541 P CA 0.114 62.949 63.100 -0.442 0.000 0.771 541 P CB 1.127 32.264 31.700 -0.939 0.000 0.858 542 L N 3.690 124.828 121.223 -0.142 0.000 2.341 542 L HA 0.473 4.813 4.340 0.000 0.000 0.278 542 L C -0.745 176.309 176.870 0.306 0.000 1.005 542 L CA -1.162 53.737 54.840 0.098 0.000 0.818 542 L CB 1.581 43.711 42.059 0.118 0.000 1.259 542 L HN 0.184 nan 8.230 nan 0.000 0.418 543 L N 5.543 126.971 121.223 0.342 0.000 2.287 543 L HA 0.483 4.823 4.340 0.000 0.000 0.287 543 L C -1.114 175.997 176.870 0.403 0.000 1.022 543 L CA -0.286 54.811 54.840 0.428 0.000 0.814 543 L CB 1.533 43.799 42.059 0.345 0.000 1.217 543 L HN 0.594 nan 8.230 nan 0.000 0.420 544 L N 5.258 126.770 121.223 0.482 0.000 2.261 544 L HA 0.394 4.734 4.340 0.000 0.000 0.289 544 L C -0.547 176.571 176.870 0.413 0.000 1.059 544 L CA 0.162 55.274 54.840 0.454 0.000 0.816 544 L CB 0.524 42.897 42.059 0.524 0.000 1.191 544 L HN 0.642 nan 8.230 nan 0.000 0.431 545 D N 4.573 125.192 120.400 0.366 0.000 2.347 545 D HA 0.226 4.866 4.640 0.000 0.000 0.235 545 D C -1.040 175.348 176.300 0.147 0.000 1.149 545 D CA 0.100 54.236 54.000 0.227 0.000 0.850 545 D CB 1.231 42.229 40.800 0.330 0.000 1.061 545 D HN 0.334 nan 8.370 nan 0.000 0.487 546 V N 5.592 125.526 119.914 0.033 0.000 2.680 546 V HA 0.420 4.540 4.120 0.000 0.000 0.309 546 V C -0.949 175.237 176.094 0.153 0.000 1.052 546 V CA -0.473 61.905 62.300 0.130 0.000 0.908 546 V CB 1.773 33.672 31.823 0.127 0.000 1.001 546 V HN 0.657 nan 8.190 nan 0.000 0.431 547 Y N 5.307 125.676 120.300 0.114 0.000 2.972 547 Y HA 0.550 5.100 4.550 0.000 0.000 0.229 547 Y C 1.639 177.667 175.900 0.213 0.000 0.980 547 Y CA 1.219 59.409 58.100 0.151 0.000 1.475 547 Y CB 0.398 38.928 38.460 0.117 0.000 1.459 547 Y HN 1.010 nan 8.280 nan 0.000 0.460 548 A N 0.731 123.641 122.820 0.150 0.000 2.979 548 A HA -0.177 4.144 4.320 0.000 0.000 0.260 548 A C 0.964 178.401 177.584 -0.245 0.000 1.282 548 A CA 0.819 52.894 52.037 0.064 0.000 0.971 548 A CB -2.576 16.524 19.000 0.167 0.000 1.124 548 A HN 0.916 nan 8.150 nan 0.000 0.826 549 G N -0.713 107.655 108.800 -0.720 0.000 2.699 549 G HA2 0.443 4.403 3.960 0.000 0.000 0.246 549 G HA3 0.443 4.403 3.960 0.000 0.000 0.246 549 G C -2.154 172.442 174.900 -0.506 0.000 1.219 549 G CA -0.455 43.868 45.100 -1.294 0.000 0.866 549 G HN 0.335 nan 8.290 nan 0.000 0.572 550 P HA 0.105 nan 4.420 nan 0.000 0.263 550 P C 0.582 177.749 177.300 -0.223 0.000 1.195 550 P CA 0.019 62.860 63.100 -0.433 0.000 0.762 550 P CB 0.768 31.816 31.700 -1.088 0.000 0.799 551 C N 2.519 121.750 119.300 -0.115 0.000 4.417 551 C HA -0.152 4.309 4.460 0.000 0.000 0.284 551 C C 0.908 175.883 174.990 -0.025 0.000 1.379 551 C CA 1.136 60.040 59.018 -0.189 0.000 1.918 551 C CB -2.746 24.733 27.740 -0.435 0.000 1.280 551 C HN 0.796 nan 8.230 nan 0.000 0.783 552 S N 0.083 115.846 115.700 0.105 0.000 2.617 552 S HA 0.574 5.044 4.470 0.000 0.000 0.269 552 S C -0.625 174.128 174.600 0.255 0.000 1.292 552 S CA 0.034 58.388 58.200 0.256 0.000 1.010 552 S CB 1.653 65.073 63.200 0.366 0.000 0.944 552 S HN 0.789 nan 8.310 nan 0.000 0.536 553 Q N 0.321 120.312 119.800 0.319 0.000 2.350 553 Q HA 0.343 4.683 4.340 0.000 0.000 0.255 553 Q C -0.620 175.516 176.000 0.228 0.000 0.951 553 Q CA -0.572 55.414 55.803 0.305 0.000 0.751 553 Q CB 0.988 29.981 28.738 0.426 0.000 1.296 553 Q HN 0.724 nan 8.270 nan 0.000 0.453 554 K N 0.865 121.394 120.400 0.214 0.000 2.358 554 K HA 0.324 4.644 4.320 0.000 0.000 0.200 554 K C -0.409 176.303 176.600 0.186 0.000 1.030 554 K CA 0.178 56.579 56.287 0.190 0.000 1.097 554 K CB 1.498 34.133 32.500 0.225 0.000 0.862 554 K HN 0.479 nan 8.250 nan 0.000 0.534 555 A N 2.683 125.623 122.820 0.201 0.000 2.277 555 A HA 0.446 4.766 4.320 0.000 0.000 0.318 555 A C -0.811 176.856 177.584 0.137 0.000 1.339 555 A CA -0.563 51.593 52.037 0.198 0.000 0.875 555 A CB 0.280 19.459 19.000 0.297 0.000 1.158 555 A HN 0.224 nan 8.150 nan 0.000 0.514 556 D N 0.021 120.478 120.400 0.095 0.000 2.812 556 D HA 0.444 5.084 4.640 0.000 0.000 0.318 556 D C 0.529 176.865 176.300 0.059 0.000 1.234 556 D CA 0.329 54.380 54.000 0.085 0.000 0.989 556 D CB 0.255 41.130 40.800 0.125 0.000 1.442 556 D HN 0.196 nan 8.370 nan 0.000 0.537 557 T N -2.517 112.102 114.554 0.108 0.000 3.105 557 T HA 0.286 4.636 4.350 0.000 0.000 0.253 557 T C 0.525 175.225 174.700 0.000 0.000 1.047 557 T CA -0.334 61.817 62.100 0.086 0.000 0.944 557 T CB -0.562 68.394 68.868 0.147 0.000 1.016 557 T HN 0.264 nan 8.240 nan 0.000 0.544 558 V N 2.671 122.472 119.914 -0.189 0.000 2.655 558 V HA 0.264 4.385 4.120 0.000 0.000 0.300 558 V C 0.107 176.155 176.094 -0.076 0.000 1.044 558 V CA -0.703 61.427 62.300 -0.283 0.000 1.095 558 V CB -0.087 31.438 31.823 -0.496 0.000 0.952 558 V HN 0.575 nan 8.190 nan 0.000 0.485 559 F N 6.329 126.185 119.950 -0.157 0.000 2.411 559 F HA 0.619 5.146 4.527 0.000 0.000 0.350 559 F C 0.403 176.148 175.800 -0.093 0.000 1.114 559 F CA -0.321 57.613 58.000 -0.110 0.000 1.135 559 F CB 0.433 39.377 39.000 -0.093 0.000 1.120 559 F HN 0.421 nan 8.300 nan 0.000 0.495 560 R N 6.202 126.204 120.500 -0.830 0.000 2.744 560 R HA 0.579 4.920 4.340 0.000 0.000 0.279 560 R C -1.610 174.230 176.300 -0.767 0.000 0.977 560 R CA -1.087 54.656 56.100 -0.594 0.000 0.906 560 R CB 2.203 32.333 30.300 -0.282 0.000 1.197 560 R HN 0.685 nan 8.270 nan 0.000 0.463 561 L N 3.943 124.924 121.223 -0.404 0.000 2.301 561 L HA 0.414 4.754 4.340 0.000 0.000 0.278 561 L C -0.641 176.215 176.870 -0.024 0.000 1.022 561 L CA -0.688 53.991 54.840 -0.268 0.000 0.854 561 L CB 0.550 42.587 42.059 -0.037 0.000 1.226 561 L HN 0.744 nan 8.230 nan 0.000 0.429 562 N N 0.285 118.888 118.700 -0.162 0.000 3.343 562 N HA 0.179 4.919 4.740 0.000 0.000 0.330 562 N C 0.207 175.363 175.510 -0.591 0.000 1.560 562 N CA -0.934 51.938 53.050 -0.297 0.000 0.752 562 N CB 0.229 38.659 38.487 -0.096 0.000 1.863 562 N HN 0.327 nan 8.380 nan 0.000 0.636 563 W N 0.649 121.346 121.300 -1.005 0.000 2.338 563 W HA 0.104 4.764 4.660 0.001 0.000 0.304 563 W C 2.011 178.473 176.519 -0.094 0.000 1.212 563 W CA 2.863 59.853 57.345 -0.592 0.000 1.264 563 W CB -0.984 28.310 29.460 -0.276 0.000 1.142 563 W HN 0.705 nan 8.180 nan 0.000 0.512 564 A N -0.525 122.249 122.820 -0.076 0.000 1.978 564 A HA -0.215 4.105 4.320 0.000 0.000 0.220 564 A C 1.926 179.390 177.584 -0.200 0.000 1.170 564 A CA 2.462 54.400 52.037 -0.164 0.000 0.636 564 A CB -1.246 17.745 19.000 -0.015 0.000 0.810 564 A HN 0.316 nan 8.150 nan 0.000 0.448 565 T N -1.477 112.964 114.554 -0.188 0.000 2.746 565 T HA -0.177 4.173 4.350 0.000 0.000 0.267 565 T C 1.768 176.451 174.700 -0.030 0.000 1.039 565 T CA 1.570 63.520 62.100 -0.250 0.000 1.142 565 T CB -0.475 68.045 68.868 -0.580 0.000 0.866 565 T HN 0.711 nan 8.240 nan 0.000 0.444 566 Y N 1.876 122.224 120.300 0.080 0.000 2.200 566 Y HA -0.062 4.488 4.550 0.000 0.000 0.290 566 Y C 1.964 177.840 175.900 -0.040 0.000 1.137 566 Y CA 1.029 59.230 58.100 0.168 0.000 1.163 566 Y CB -0.501 38.060 38.460 0.168 0.000 0.988 566 Y HN 0.081 nan 8.280 nan 0.000 0.518 567 L N 0.546 121.362 121.223 -0.679 0.000 1.994 567 L HA -0.217 4.123 4.340 0.000 0.000 0.208 567 L C 2.945 179.565 176.870 -0.416 0.000 1.071 567 L CA 1.349 55.725 54.840 -0.773 0.000 0.745 567 L CB -1.082 40.562 42.059 -0.691 0.000 0.892 567 L HN 0.399 nan 8.230 nan 0.000 0.431 568 A N -0.933 121.717 122.820 -0.284 0.000 1.858 568 A HA -0.233 4.087 4.320 0.000 0.000 0.216 568 A C 2.544 180.040 177.584 -0.147 0.000 1.190 568 A CA 2.116 54.032 52.037 -0.201 0.000 0.617 568 A CB -0.838 18.039 19.000 -0.206 0.000 0.827 568 A HN 0.368 nan 8.150 nan 0.000 0.443 569 S N -1.357 114.277 115.700 -0.109 0.000 2.348 569 S HA -0.133 4.337 4.470 0.000 0.000 0.221 569 S C 2.049 176.653 174.600 0.007 0.000 1.033 569 S CA 2.342 60.528 58.200 -0.024 0.000 1.010 569 S CB -0.490 62.759 63.200 0.082 0.000 0.891 569 S HN 0.601 nan 8.310 nan 0.000 0.442 570 T N 1.168 115.716 114.554 -0.010 0.000 2.901 570 T HA 0.169 4.520 4.350 0.000 0.000 0.252 570 T C 1.535 176.211 174.700 -0.040 0.000 1.035 570 T CA 0.653 62.771 62.100 0.031 0.000 1.142 570 T CB -0.158 68.822 68.868 0.187 0.000 0.869 570 T HN 0.280 nan 8.240 nan 0.000 0.442 571 E N 1.165 121.248 120.200 -0.196 0.000 2.474 571 E HA 0.159 4.509 4.350 0.000 0.000 0.194 571 E C 0.058 176.643 176.600 -0.025 0.000 1.041 571 E CA -0.071 56.248 56.400 -0.135 0.000 0.874 571 E CB -0.355 29.177 29.700 -0.280 0.000 0.914 571 E HN 0.545 nan 8.360 nan 0.000 0.498 572 N N 0.606 119.297 118.700 -0.014 0.000 2.738 572 N HA -0.194 4.546 4.740 0.000 0.000 0.249 572 N C -0.853 174.733 175.510 0.127 0.000 1.047 572 N CA 0.088 53.194 53.050 0.093 0.000 0.707 572 N CB -1.156 37.468 38.487 0.229 0.000 0.937 572 N HN 0.171 nan 8.380 nan 0.000 0.545 573 I N 0.991 121.560 120.570 -0.002 0.000 2.412 573 I HA 0.349 4.519 4.170 0.000 0.000 0.296 573 I C 0.675 176.753 176.117 -0.064 0.000 0.987 573 I CA -0.817 60.495 61.300 0.020 0.000 1.180 573 I CB 1.379 39.400 38.000 0.034 0.000 1.340 573 I HN 0.044 nan 8.210 nan 0.000 0.455 574 I N 6.379 126.926 120.570 -0.039 0.000 2.416 574 I HA 0.136 4.306 4.170 0.000 0.000 0.288 574 I C -0.416 175.688 176.117 -0.021 0.000 1.051 574 I CA -0.320 60.920 61.300 -0.099 0.000 1.375 574 I CB 0.848 38.809 38.000 -0.066 0.000 1.407 574 I HN 0.203 nan 8.210 nan 0.000 0.516 575 V N 6.839 126.724 119.914 -0.048 0.000 2.334 575 V HA 0.571 4.691 4.120 0.000 0.000 0.281 575 V C 0.386 176.512 176.094 0.053 0.000 1.016 575 V CA -0.506 61.820 62.300 0.042 0.000 0.832 575 V CB 1.078 32.920 31.823 0.031 0.000 0.999 575 V HN 0.832 nan 8.190 nan 0.000 0.439 576 A N 3.931 126.818 122.820 0.112 0.000 2.320 576 A HA 0.928 5.248 4.320 0.000 0.000 0.334 576 A C -0.014 177.745 177.584 0.291 0.000 1.147 576 A CA -0.440 51.673 52.037 0.126 0.000 0.820 576 A CB 1.497 20.453 19.000 -0.074 0.000 1.218 576 A HN 0.676 nan 8.150 nan 0.000 0.482 577 S N -0.358 115.558 115.700 0.360 0.000 2.569 577 S HA 0.774 5.244 4.470 0.000 0.000 0.280 577 S C -1.516 173.448 174.600 0.607 0.000 1.111 577 S CA -0.285 58.168 58.200 0.421 0.000 0.887 577 S CB 1.333 64.715 63.200 0.303 0.000 1.095 577 S HN 0.778 nan 8.310 nan 0.000 0.476 578 F N 1.759 121.944 119.950 0.391 0.000 2.574 578 F HA 0.455 4.982 4.527 0.000 0.000 0.313 578 F C -1.704 174.296 175.800 0.334 0.000 1.130 578 F CA -0.701 57.551 58.000 0.419 0.000 0.936 578 F CB 1.496 40.718 39.000 0.370 0.000 1.219 578 F HN 0.389 nan 8.300 nan 0.000 0.445 579 D N 4.666 124.824 120.400 -0.403 0.000 2.454 579 D HA 0.400 5.040 4.640 0.000 0.000 0.225 579 D C 0.321 176.250 176.300 -0.618 0.000 1.081 579 D CA 0.094 53.936 54.000 -0.264 0.000 0.864 579 D CB 1.591 42.425 40.800 0.056 0.000 1.040 579 D HN 0.774 nan 8.370 nan 0.000 0.517 580 G N 1.518 110.064 108.800 -0.423 0.000 2.945 580 G HA2 0.296 4.256 3.960 0.000 0.000 0.156 580 G HA3 0.296 4.256 3.960 0.000 0.000 0.156 580 G C 0.120 175.007 174.900 -0.022 0.000 1.375 580 G CA -0.631 44.259 45.100 -0.350 0.000 1.039 580 G HN 0.270 nan 8.290 nan 0.000 0.586 581 R N -0.596 119.886 120.500 -0.031 0.000 2.543 581 R HA 0.412 4.753 4.340 0.000 0.000 0.277 581 R C 1.166 177.556 176.300 0.150 0.000 1.074 581 R CA 1.149 57.332 56.100 0.139 0.000 1.076 581 R CB 0.740 31.112 30.300 0.119 0.000 0.993 581 R HN 1.010 nan 8.270 nan 0.000 0.459 582 G N 0.957 109.846 108.800 0.148 0.000 2.253 582 G HA2 -0.348 3.612 3.960 0.000 0.000 0.251 582 G HA3 -0.348 3.612 3.960 0.000 0.000 0.251 582 G C 0.213 175.148 174.900 0.057 0.000 0.998 582 G CA 0.339 45.506 45.100 0.112 0.000 0.621 582 G HN 0.739 nan 8.290 nan 0.000 0.524 583 S N 0.381 116.126 115.700 0.075 0.000 2.584 583 S HA 0.632 5.102 4.470 0.000 0.000 0.270 583 S C 0.878 175.469 174.600 -0.014 0.000 1.346 583 S CA 0.621 58.856 58.200 0.059 0.000 1.018 583 S CB 1.684 64.949 63.200 0.108 0.000 0.899 583 S HN 1.700 nan 8.310 nan 0.000 0.542 584 G N -0.418 108.325 108.800 -0.095 0.000 2.552 584 G HA2 0.503 4.463 3.960 0.000 0.000 0.318 584 G HA3 0.503 4.463 3.960 0.000 0.000 0.318 584 G C -0.812 173.960 174.900 -0.214 0.000 1.240 584 G CA -1.025 43.849 45.100 -0.376 0.000 1.002 584 G HN 1.094 nan 8.290 nan 0.000 0.493 585 Y N -2.415 117.899 120.300 0.023 0.000 4.490 585 Y HA -0.237 4.313 4.550 0.000 0.000 0.233 585 Y C 1.326 177.245 175.900 0.032 0.000 1.101 585 Y CA 0.999 59.118 58.100 0.031 0.000 2.010 585 Y CB -1.974 36.523 38.460 0.062 0.000 1.622 585 Y HN 0.521 nan 8.280 nan 0.000 0.675 586 Q N 0.077 119.914 119.800 0.062 0.000 2.086 586 Q HA 0.495 4.835 4.340 0.000 0.000 0.220 586 Q C 0.845 176.766 176.000 -0.133 0.000 0.792 586 Q CA 0.189 56.037 55.803 0.074 0.000 1.062 586 Q CB 1.890 30.673 28.738 0.074 0.000 1.198 586 Q HN 0.574 nan 8.270 nan 0.000 0.466 587 G N 0.732 109.306 108.800 -0.376 0.000 2.619 587 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 587 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 587 G C -0.607 173.919 174.900 -0.623 0.000 1.256 587 G CA -0.588 43.978 45.100 -0.890 0.000 0.826 587 G HN 0.085 nan 8.290 nan 0.000 0.619 588 D N 0.122 120.112 120.400 -0.683 0.000 2.312 588 D HA -0.052 4.588 4.640 0.000 0.000 0.211 588 D C 2.406 178.414 176.300 -0.487 0.000 0.964 588 D CA 1.193 54.758 54.000 -0.725 0.000 0.877 588 D CB 0.131 40.451 40.800 -0.800 0.000 0.924 588 D HN 0.608 nan 8.370 nan 0.000 0.515 589 K N 1.334 121.515 120.400 -0.366 0.000 2.057 589 K HA -0.124 4.196 4.320 0.000 0.000 0.207 589 K C 1.973 178.503 176.600 -0.117 0.000 1.049 589 K CA 0.893 57.062 56.287 -0.198 0.000 0.931 589 K CB -0.512 31.894 32.500 -0.157 0.000 0.714 589 K HN 0.175 nan 8.250 nan 0.000 0.440 590 I N 0.971 121.467 120.570 -0.123 0.000 2.252 590 I HA -0.202 3.968 4.170 0.000 0.000 0.245 590 I C 2.898 179.015 176.117 0.000 0.000 1.102 590 I CA 1.185 62.486 61.300 0.002 0.000 1.385 590 I CB -0.158 37.862 38.000 0.034 0.000 1.064 590 I HN 0.230 nan 8.210 nan 0.000 0.414 591 M N -0.036 119.487 119.600 -0.129 0.000 2.156 591 M HA -0.183 4.297 4.480 0.000 0.000 0.264 591 M C 1.934 178.263 176.300 0.048 0.000 1.067 591 M CA 1.889 57.132 55.300 -0.094 0.000 1.131 591 M CB -0.249 32.193 32.600 -0.262 0.000 1.368 591 M HN 0.260 nan 8.290 nan 0.000 0.416 592 H N -0.638 118.328 119.070 -0.173 0.000 2.547 592 H HA 0.164 4.720 4.556 0.000 0.000 0.266 592 H C 1.863 177.217 175.328 0.044 0.000 0.988 592 H CA 0.103 56.061 56.048 -0.150 0.000 1.147 592 H CB 0.157 29.736 29.762 -0.305 0.000 1.365 592 H HN 0.509 nan 8.280 nan 0.000 0.589 593 A N 1.800 124.731 122.820 0.186 0.000 1.940 593 A HA -0.152 4.169 4.320 0.000 0.000 0.219 593 A C 2.045 179.851 177.584 0.370 0.000 1.176 593 A CA 1.264 53.441 52.037 0.232 0.000 0.631 593 A CB -0.355 18.747 19.000 0.169 0.000 0.814 593 A HN 0.448 nan 8.150 nan 0.000 0.446 594 I N -1.360 119.393 120.570 0.306 0.000 3.810 594 I HA 0.095 4.265 4.170 0.000 0.000 0.322 594 I C 0.210 176.419 176.117 0.154 0.000 1.288 594 I CA -0.836 60.592 61.300 0.212 0.000 1.143 594 I CB -2.177 35.917 38.000 0.157 0.000 1.012 594 I HN 0.278 nan 8.210 nan 0.000 0.423 595 N N 2.893 121.731 118.700 0.229 0.000 2.447 595 N HA -0.035 4.705 4.740 0.000 0.000 0.263 595 N C 0.159 175.703 175.510 0.058 0.000 1.226 595 N CA 0.178 53.363 53.050 0.224 0.000 0.906 595 N CB 0.295 38.898 38.487 0.193 0.000 1.060 595 N HN 0.305 nan 8.380 nan 0.000 0.468 596 R N 0.852 121.359 120.500 0.010 0.000 3.994 596 R HA -0.198 4.142 4.340 0.000 0.000 0.403 596 R C -0.102 176.092 176.300 -0.176 0.000 1.126 596 R CA 0.960 57.023 56.100 -0.060 0.000 1.143 596 R CB -1.018 29.263 30.300 -0.032 0.000 1.695 596 R HN 0.625 nan 8.270 nan 0.000 0.555 597 R N 0.780 121.160 120.500 -0.200 0.000 2.648 597 R HA 0.328 4.668 4.340 0.000 0.000 0.341 597 R C -0.516 175.723 176.300 -0.102 0.000 1.154 597 R CA -0.198 55.636 56.100 -0.443 0.000 1.228 597 R CB 0.566 30.578 30.300 -0.480 0.000 1.311 597 R HN 0.023 nan 8.270 nan 0.000 0.659 598 L N -0.211 121.050 121.223 0.062 0.000 2.461 598 L HA 0.269 4.609 4.340 0.000 0.000 0.272 598 L C 1.318 178.424 176.870 0.393 0.000 1.197 598 L CA 0.844 55.768 54.840 0.140 0.000 0.836 598 L CB 0.653 42.608 42.059 -0.173 0.000 1.105 598 L HN 0.665 nan 8.230 nan 0.000 0.477 599 G N 0.754 109.823 108.800 0.448 0.000 2.147 599 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 599 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 599 G C 0.454 175.448 174.900 0.156 0.000 1.005 599 G CA 0.607 45.926 45.100 0.364 0.000 0.713 599 G HN 0.854 nan 8.290 nan 0.000 0.515 600 T N -3.497 111.104 114.554 0.078 0.000 3.066 600 T HA 0.483 4.833 4.350 0.000 0.000 0.176 600 T C 1.643 176.334 174.700 -0.016 0.000 0.826 600 T CA 0.888 62.931 62.100 -0.095 0.000 1.280 600 T CB -0.052 68.550 68.868 -0.443 0.000 2.214 600 T HN 0.126 nan 8.240 nan 0.000 0.399 601 F N 3.417 123.408 119.950 0.070 0.000 2.161 601 F HA 0.066 4.594 4.527 0.000 0.000 0.300 601 F C 2.818 178.650 175.800 0.053 0.000 1.089 601 F CA 1.166 59.194 58.000 0.047 0.000 1.282 601 F CB -0.744 38.281 39.000 0.041 0.000 1.010 601 F HN 0.529 nan 8.300 nan 0.000 0.485 602 E N 0.797 121.150 120.200 0.254 0.000 2.150 602 E HA -0.130 4.221 4.350 0.000 0.000 0.193 602 E C 2.116 178.817 176.600 0.169 0.000 0.985 602 E CA 1.478 57.999 56.400 0.202 0.000 0.814 602 E CB -1.039 28.784 29.700 0.206 0.000 0.752 602 E HN 0.296 nan 8.360 nan 0.000 0.466 603 V N 1.717 121.710 119.914 0.132 0.000 2.283 603 V HA -0.209 3.911 4.120 0.000 0.000 0.243 603 V C 2.406 178.537 176.094 0.061 0.000 1.039 603 V CA 2.112 64.446 62.300 0.056 0.000 1.016 603 V CB -0.600 31.212 31.823 -0.018 0.000 0.650 603 V HN 0.213 nan 8.190 nan 0.000 0.449 604 E N 0.159 120.413 120.200 0.089 0.000 2.058 604 E HA -0.262 4.088 4.350 0.000 0.000 0.194 604 E C 1.950 178.581 176.600 0.052 0.000 0.997 604 E CA 1.640 58.089 56.400 0.082 0.000 0.801 604 E CB -0.218 29.566 29.700 0.141 0.000 0.746 604 E HN 0.575 nan 8.360 nan 0.000 0.450 605 D N 0.265 120.710 120.400 0.074 0.000 2.178 605 D HA -0.138 4.502 4.640 0.000 0.000 0.201 605 D C 1.988 178.288 176.300 0.001 0.000 0.980 605 D CA 0.744 54.764 54.000 0.034 0.000 0.842 605 D CB -0.126 40.732 40.800 0.097 0.000 0.948 605 D HN 0.108 nan 8.370 nan 0.000 0.472 606 Q N 0.103 119.959 119.800 0.094 0.000 2.124 606 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 606 Q C 2.541 178.580 176.000 0.065 0.000 0.977 606 Q CA 0.606 56.470 55.803 0.101 0.000 0.850 606 Q CB -0.152 28.665 28.738 0.132 0.000 0.901 606 Q HN 0.430 nan 8.270 nan 0.000 0.429 607 I N 0.507 121.128 120.570 0.084 0.000 2.252 607 I HA -0.234 3.937 4.170 0.000 0.000 0.245 607 I C 2.376 178.457 176.117 -0.059 0.000 1.102 607 I CA 1.023 62.417 61.300 0.156 0.000 1.385 607 I CB -0.161 37.918 38.000 0.132 0.000 1.064 607 I HN 0.123 nan 8.210 nan 0.000 0.414 608 E N 1.583 121.696 120.200 -0.144 0.000 2.077 608 E HA -0.191 4.160 4.350 0.000 0.000 0.193 608 E C 2.130 178.448 176.600 -0.471 0.000 0.989 608 E CA 1.636 57.888 56.400 -0.248 0.000 0.800 608 E CB -0.195 29.383 29.700 -0.204 0.000 0.746 608 E HN 0.397 nan 8.360 nan 0.000 0.452 609 A N 0.801 123.195 122.820 -0.711 0.000 1.908 609 A HA -0.107 4.213 4.320 0.000 0.000 0.218 609 A C 2.449 179.287 177.584 -1.242 0.000 1.181 609 A CA 2.294 53.574 52.037 -1.263 0.000 0.627 609 A CB -1.056 16.978 19.000 -1.609 0.000 0.818 609 A HN 0.394 nan 8.150 nan 0.000 0.445 610 A N -0.421 122.042 122.820 -0.595 0.000 1.898 610 A HA -0.129 4.192 4.320 0.000 0.000 0.216 610 A C 2.236 179.615 177.584 -0.340 0.000 1.181 610 A CA 1.394 53.235 52.037 -0.327 0.000 0.620 610 A CB -0.466 18.418 19.000 -0.193 0.000 0.819 610 A HN 0.543 nan 8.150 nan 0.000 0.442 611 R N -0.399 119.903 120.500 -0.331 0.000 2.083 611 R HA -0.177 4.163 4.340 0.000 0.000 0.237 611 R C 2.452 178.592 176.300 -0.266 0.000 1.137 611 R CA 1.807 57.751 56.100 -0.260 0.000 0.951 611 R CB -0.408 29.768 30.300 -0.207 0.000 0.851 611 R HN 0.673 nan 8.270 nan 0.000 0.434 612 Q N -0.471 119.106 119.800 -0.371 0.000 2.167 612 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 612 Q C 1.951 177.810 176.000 -0.235 0.000 0.970 612 Q CA 1.116 56.721 55.803 -0.329 0.000 0.855 612 Q CB -0.077 28.419 28.738 -0.404 0.000 0.911 612 Q HN 0.283 nan 8.270 nan 0.000 0.438 613 F N 1.124 120.907 119.950 -0.277 0.000 2.186 613 F HA -0.139 4.388 4.527 0.001 0.000 0.299 613 F C 2.714 178.331 175.800 -0.305 0.000 1.090 613 F CA 1.303 59.135 58.000 -0.281 0.000 1.307 613 F CB -1.025 37.858 39.000 -0.195 0.000 1.019 613 F HN 0.059 nan 8.300 nan 0.000 0.489 614 S N -0.759 114.899 115.700 -0.070 0.000 2.461 614 S HA -0.088 4.383 4.470 0.000 0.000 0.228 614 S C 1.898 176.401 174.600 -0.162 0.000 1.005 614 S CA 0.390 58.510 58.200 -0.133 0.000 0.942 614 S CB -0.407 62.717 63.200 -0.126 0.000 0.776 614 S HN 0.287 nan 8.310 nan 0.000 0.514 615 K N 0.801 121.106 120.400 -0.159 0.000 2.283 615 K HA 0.142 4.463 4.320 0.000 0.000 0.202 615 K C 1.789 178.288 176.600 -0.169 0.000 1.048 615 K CA 0.885 57.085 56.287 -0.144 0.000 0.948 615 K CB -0.275 32.148 32.500 -0.129 0.000 0.742 615 K HN 0.478 nan 8.250 nan 0.000 0.458 616 M N -1.052 118.392 119.600 -0.261 0.000 2.476 616 M HA -0.056 4.424 4.480 0.000 0.000 0.262 616 M C 1.211 177.264 176.300 -0.411 0.000 1.079 616 M CA 1.247 56.322 55.300 -0.375 0.000 1.104 616 M CB 0.203 32.422 32.600 -0.634 0.000 1.409 616 M HN 0.403 nan 8.290 nan 0.000 0.467 617 G N 0.642 109.233 108.800 -0.348 0.000 2.176 617 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 617 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 617 G C 0.418 175.279 174.900 -0.066 0.000 0.979 617 G CA 0.330 45.330 45.100 -0.166 0.000 0.641 617 G HN 0.659 nan 8.290 nan 0.000 0.530 618 F N -0.557 119.437 119.950 0.073 0.000 2.683 618 F HA 0.760 5.287 4.527 0.000 0.000 0.306 618 F C 0.118 176.017 175.800 0.165 0.000 1.102 618 F CA -0.943 57.124 58.000 0.113 0.000 1.244 618 F CB 0.487 39.590 39.000 0.171 0.000 1.029 618 F HN 0.054 nan 8.300 nan 0.000 0.545 619 V N 1.491 121.451 119.914 0.075 0.000 2.459 619 V HA 0.190 4.311 4.120 0.000 0.000 0.295 619 V C -0.681 175.413 176.094 -0.001 0.000 1.029 619 V CA -0.733 61.618 62.300 0.085 0.000 0.874 619 V CB 1.606 33.428 31.823 -0.001 0.000 0.985 619 V HN 0.106 nan 8.190 nan 0.000 0.438 620 D N 4.139 124.528 120.400 -0.018 0.000 2.383 620 D HA 0.055 4.696 4.640 0.000 0.000 0.245 620 D C 1.219 177.465 176.300 -0.092 0.000 1.263 620 D CA 0.130 54.085 54.000 -0.074 0.000 0.936 620 D CB 0.439 41.171 40.800 -0.113 0.000 1.053 620 D HN 0.432 nan 8.370 nan 0.000 0.507 621 N N 3.154 121.805 118.700 -0.082 0.000 2.144 621 N HA -0.234 4.506 4.740 0.000 0.000 0.195 621 N C 0.926 176.389 175.510 -0.078 0.000 1.006 621 N CA 1.215 54.212 53.050 -0.089 0.000 0.880 621 N CB 0.082 38.521 38.487 -0.080 0.000 1.018 621 N HN 0.537 nan 8.380 nan 0.000 0.443 622 K N -0.264 120.096 120.400 -0.066 0.000 2.487 622 K HA 0.141 4.461 4.320 0.000 0.000 0.192 622 K C 0.167 176.755 176.600 -0.019 0.000 1.027 622 K CA 0.338 56.603 56.287 -0.037 0.000 1.054 622 K CB 0.528 33.009 32.500 -0.031 0.000 0.824 622 K HN 0.050 nan 8.250 nan 0.000 0.510 623 R N 1.272 121.724 120.500 -0.079 0.000 2.655 623 R HA 0.326 4.666 4.340 0.000 0.000 0.261 623 R C -1.101 175.095 176.300 -0.173 0.000 1.624 623 R CA -0.129 55.882 56.100 -0.149 0.000 1.655 623 R CB 0.593 30.615 30.300 -0.463 0.000 1.356 623 R HN 0.021 nan 8.270 nan 0.000 0.684 624 I N 1.196 121.812 120.570 0.077 0.000 2.362 624 I HA 0.521 4.692 4.170 0.000 0.000 0.289 624 I C 0.150 176.546 176.117 0.465 0.000 0.994 624 I CA -0.688 60.711 61.300 0.166 0.000 1.158 624 I CB 1.829 39.770 38.000 -0.099 0.000 1.315 624 I HN 0.266 nan 8.210 nan 0.000 0.451 625 A N 7.066 130.286 122.820 0.666 0.000 2.309 625 A HA 0.921 5.241 4.320 0.000 0.000 0.317 625 A C -0.986 176.982 177.584 0.641 0.000 1.134 625 A CA -0.655 51.761 52.037 0.631 0.000 0.866 625 A CB 1.874 21.135 19.000 0.436 0.000 1.329 625 A HN 0.734 nan 8.150 nan 0.000 0.477 626 I N 0.347 121.192 120.570 0.459 0.000 2.656 626 I HA 0.692 4.863 4.170 0.000 0.000 0.292 626 I C -1.754 174.615 176.117 0.420 0.000 1.144 626 I CA -0.519 60.968 61.300 0.312 0.000 1.038 626 I CB 1.563 39.447 38.000 -0.193 0.000 1.244 626 I HN 0.918 nan 8.210 nan 0.000 0.420 627 W N 7.158 128.588 121.300 0.216 0.000 3.075 627 W HA 0.870 5.530 4.660 0.001 0.000 0.334 627 W C -1.351 175.316 176.519 0.248 0.000 1.243 627 W CA -0.842 56.638 57.345 0.225 0.000 1.170 627 W CB 1.053 30.694 29.460 0.301 0.000 1.452 627 W HN 0.875 nan 8.180 nan 0.000 0.572 628 G N 0.422 109.114 108.800 -0.180 0.000 2.368 628 G HA2 0.376 4.336 3.960 0.000 0.000 0.293 628 G HA3 0.376 4.336 3.960 0.000 0.000 0.293 628 G C -2.858 171.995 174.900 -0.077 0.000 1.467 628 G CA -0.852 43.985 45.100 -0.438 0.000 0.804 628 G HN 0.626 nan 8.290 nan 0.000 0.535 629 W N 1.074 122.273 121.300 -0.168 0.000 2.587 629 W HA 0.592 5.252 4.660 0.000 0.000 0.324 629 W C 0.786 177.365 176.519 0.100 0.000 1.040 629 W CA 0.489 57.819 57.345 -0.024 0.000 1.222 629 W CB 1.689 31.132 29.460 -0.028 0.000 1.381 629 W HN 1.300 nan 8.180 nan 0.000 0.483 630 S N 3.099 118.997 115.700 0.331 0.000 4.151 630 S HA -0.417 4.054 4.470 0.000 0.000 0.617 630 S C 1.207 175.912 174.600 0.175 0.000 1.878 630 S CA 1.770 60.186 58.200 0.360 0.000 4.245 630 S CB -1.889 61.708 63.200 0.662 0.000 0.205 630 S HN 0.715 nan 8.310 nan 0.000 0.468 631 Y N 2.162 122.486 120.300 0.042 0.000 2.207 631 Y HA -0.006 4.544 4.550 0.000 0.000 0.287 631 Y C 2.358 178.170 175.900 -0.147 0.000 1.156 631 Y CA 2.405 60.410 58.100 -0.158 0.000 1.182 631 Y CB -0.859 37.309 38.460 -0.486 0.000 0.979 631 Y HN 0.512 nan 8.280 nan 0.000 0.521 632 G N -1.199 107.629 108.800 0.046 0.000 2.443 632 G HA2 -0.178 3.782 3.960 0.000 0.000 0.219 632 G HA3 -0.178 3.782 3.960 0.000 0.000 0.219 632 G C 1.798 176.736 174.900 0.063 0.000 1.131 632 G CA 0.656 45.806 45.100 0.083 0.000 0.775 632 G HN 0.550 nan 8.290 nan 0.000 0.547 633 G N -0.324 108.520 108.800 0.073 0.000 2.430 633 G HA2 -0.147 3.814 3.960 0.000 0.000 0.216 633 G HA3 -0.147 3.814 3.960 0.000 0.000 0.216 633 G C 1.479 176.408 174.900 0.048 0.000 1.146 633 G CA 0.829 45.960 45.100 0.051 0.000 0.793 633 G HN 0.458 nan 8.290 nan 0.000 0.537 634 Y N 1.192 121.405 120.300 -0.145 0.000 2.114 634 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 634 Y C 2.772 178.580 175.900 -0.153 0.000 1.143 634 Y CA 1.860 59.818 58.100 -0.236 0.000 1.135 634 Y CB -0.173 37.989 38.460 -0.497 0.000 0.980 634 Y HN 0.029 nan 8.280 nan 0.000 0.499 635 V N -0.182 119.605 119.914 -0.211 0.000 2.343 635 V HA -0.323 3.797 4.120 0.000 0.000 0.247 635 V C 2.296 178.276 176.094 -0.190 0.000 1.051 635 V CA 2.329 64.499 62.300 -0.216 0.000 1.036 635 V CB -1.165 30.669 31.823 0.017 0.000 0.654 635 V HN 0.506 nan 8.190 nan 0.000 0.451 636 T N 0.119 114.615 114.554 -0.096 0.000 2.607 636 T HA -0.230 4.120 4.350 0.000 0.000 0.267 636 T C 2.148 176.782 174.700 -0.111 0.000 1.049 636 T CA 2.202 64.257 62.100 -0.074 0.000 1.162 636 T CB -0.338 68.567 68.868 0.063 0.000 0.863 636 T HN 0.534 nan 8.240 nan 0.000 0.424 637 S N 0.952 116.628 115.700 -0.040 0.000 2.368 637 S HA -0.042 4.428 4.470 0.000 0.000 0.225 637 S C 2.122 176.634 174.600 -0.146 0.000 1.030 637 S CA 0.985 59.189 58.200 0.006 0.000 0.999 637 S CB -0.292 62.968 63.200 0.100 0.000 0.844 637 S HN 0.315 nan 8.310 nan 0.000 0.459 638 M N 0.770 120.198 119.600 -0.285 0.000 2.175 638 M HA -0.000 4.480 4.480 0.000 0.000 0.264 638 M C 2.157 178.296 176.300 -0.268 0.000 1.063 638 M CA 1.006 56.115 55.300 -0.319 0.000 1.119 638 M CB -1.273 31.028 32.600 -0.499 0.000 1.377 638 M HN 0.185 nan 8.290 nan 0.000 0.415 639 V N 0.421 120.164 119.914 -0.285 0.000 2.379 639 V HA -0.204 3.916 4.120 0.000 0.000 0.245 639 V C 2.469 178.365 176.094 -0.330 0.000 1.044 639 V CA 1.171 63.300 62.300 -0.285 0.000 1.036 639 V CB -0.556 31.030 31.823 -0.395 0.000 0.664 639 V HN 0.385 nan 8.190 nan 0.000 0.453 640 L N 0.525 121.479 121.223 -0.448 0.000 2.131 640 L HA -0.077 4.264 4.340 0.000 0.000 0.210 640 L C 2.223 178.564 176.870 -0.881 0.000 1.092 640 L CA 1.595 56.067 54.840 -0.614 0.000 0.759 640 L CB -0.754 40.865 42.059 -0.734 0.000 0.903 640 L HN 0.493 nan 8.230 nan 0.000 0.435 641 G N -1.343 106.940 108.800 -0.861 0.000 3.233 641 G HA2 -0.041 3.919 3.960 0.000 0.000 0.227 641 G HA3 -0.041 3.919 3.960 0.000 0.000 0.227 641 G C 1.495 176.260 174.900 -0.224 0.000 1.175 641 G CA 0.565 45.337 45.100 -0.547 0.000 0.781 641 G HN 0.435 nan 8.290 nan 0.000 0.542 642 S N -0.683 114.894 115.700 -0.205 0.000 2.461 642 S HA 0.281 4.751 4.470 0.000 0.000 0.228 642 S C 2.033 176.596 174.600 -0.062 0.000 1.005 642 S CA 1.082 59.220 58.200 -0.103 0.000 0.942 642 S CB -0.134 63.018 63.200 -0.080 0.000 0.776 642 S HN 1.350 nan 8.310 nan 0.000 0.514 643 G N 1.316 110.073 108.800 -0.071 0.000 2.162 643 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 643 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 643 G C 1.088 175.981 174.900 -0.012 0.000 0.976 643 G CA 1.079 46.157 45.100 -0.035 0.000 0.655 643 G HN 1.300 nan 8.290 nan 0.000 0.533 644 S N -0.353 115.349 115.700 0.004 0.000 2.383 644 S HA 0.234 4.704 4.470 0.000 0.000 0.229 644 S C 2.671 177.279 174.600 0.014 0.000 1.030 644 S CA 1.954 60.168 58.200 0.024 0.000 1.002 644 S CB -0.462 62.782 63.200 0.073 0.000 0.829 644 S HN 2.476 nan 8.310 nan 0.000 0.467 645 G N -0.315 108.500 108.800 0.026 0.000 2.179 645 G HA2 -0.274 3.687 3.960 0.000 0.000 0.260 645 G HA3 -0.274 3.687 3.960 0.000 0.000 0.260 645 G C 0.737 175.625 174.900 -0.019 0.000 0.977 645 G CA 0.405 45.511 45.100 0.009 0.000 0.641 645 G HN 0.776 nan 8.290 nan 0.000 0.533 646 V N -0.613 119.277 119.914 -0.040 0.000 2.649 646 V HA 0.307 4.427 4.120 0.000 0.000 0.248 646 V C 1.126 176.995 176.094 -0.375 0.000 1.054 646 V CA 1.313 63.454 62.300 -0.265 0.000 1.073 646 V CB -0.320 31.231 31.823 -0.453 0.000 0.699 646 V HN 0.293 nan 8.190 nan 0.000 0.463 647 F N -0.104 119.860 119.950 0.023 0.000 2.443 647 F HA 0.417 4.944 4.527 0.000 0.000 0.335 647 F C 1.111 176.954 175.800 0.073 0.000 1.104 647 F CA -0.553 57.487 58.000 0.067 0.000 1.013 647 F CB 1.556 40.595 39.000 0.065 0.000 1.136 647 F HN -0.275 nan 8.300 nan 0.000 0.470 648 K N 1.501 122.069 120.400 0.279 0.000 2.098 648 K HA 0.104 4.424 4.320 0.000 0.000 0.203 648 K C -0.019 176.722 176.600 0.235 0.000 1.051 648 K CA 0.979 57.396 56.287 0.216 0.000 0.957 648 K CB 0.274 32.909 32.500 0.224 0.000 0.738 648 K HN 0.808 nan 8.250 nan 0.000 0.447 649 c N -3.165 115.618 118.600 0.306 0.000 3.320 649 c HA 0.882 5.452 4.570 0.000 0.000 0.335 649 c C -0.366 173.957 174.090 0.389 0.000 1.430 649 c CA -0.446 56.082 56.329 0.331 0.000 1.271 649 c CB 1.111 43.763 42.510 0.236 0.000 1.609 649 c HN 0.399 nan 8.230 nan 0.000 0.457 650 G N -0.037 109.054 108.800 0.485 0.000 2.519 650 G HA2 0.619 4.580 3.960 0.000 0.000 0.292 650 G HA3 0.619 4.580 3.960 0.000 0.000 0.292 650 G C -2.017 173.084 174.900 0.335 0.000 1.507 650 G CA -0.684 44.668 45.100 0.420 0.000 0.806 650 G HN 1.079 nan 8.290 nan 0.000 0.523 651 I N 0.813 121.546 120.570 0.272 0.000 2.406 651 I HA 0.625 4.796 4.170 0.000 0.000 0.290 651 I C 0.335 176.549 176.117 0.162 0.000 0.999 651 I CA -0.968 60.367 61.300 0.060 0.000 1.124 651 I CB 2.152 40.155 38.000 0.006 0.000 1.289 651 I HN 0.663 nan 8.210 nan 0.000 0.441 652 A N 6.686 129.500 122.820 -0.011 0.000 2.273 652 A HA 0.729 5.049 4.320 0.000 0.000 0.315 652 A C -0.596 176.900 177.584 -0.147 0.000 1.256 652 A CA -0.498 51.552 52.037 0.021 0.000 0.851 652 A CB 0.881 19.971 19.000 0.149 0.000 1.172 652 A HN 0.465 nan 8.150 nan 0.000 0.508 653 V N 2.194 121.967 119.914 -0.236 0.000 2.398 653 V HA 0.555 4.675 4.120 0.000 0.000 0.286 653 V C 1.032 176.732 176.094 -0.657 0.000 1.026 653 V CA 0.359 62.294 62.300 -0.607 0.000 0.868 653 V CB 0.768 31.877 31.823 -1.191 0.000 0.982 653 V HN 2.041 nan 8.190 nan 0.000 0.443 654 A N 5.514 127.933 122.820 -0.669 0.000 2.640 654 A HA -0.105 4.215 4.320 0.000 0.000 0.300 654 A C -1.693 175.755 177.584 -0.227 0.000 1.499 654 A CA 0.367 51.907 52.037 -0.828 0.000 0.759 654 A CB -1.663 16.963 19.000 -0.622 0.000 1.048 654 A HN 0.634 nan 8.150 nan 0.000 0.450 655 P HA 0.378 nan 4.420 nan 0.000 0.275 655 P C 0.285 177.595 177.300 0.016 0.000 1.228 655 P CA -0.067 63.043 63.100 0.017 0.000 0.786 655 P CB 1.142 32.869 31.700 0.044 0.000 0.927 656 V N 2.500 122.322 119.914 -0.154 0.000 2.715 656 V HA 0.057 4.177 4.120 0.000 0.000 0.299 656 V C 1.756 177.695 176.094 -0.259 0.000 1.054 656 V CA 1.058 63.118 62.300 -0.401 0.000 1.077 656 V CB 0.693 31.885 31.823 -1.052 0.000 0.972 656 V HN 0.840 nan 8.190 nan 0.000 0.484 657 S N 3.667 119.218 115.700 -0.248 0.000 2.613 657 S HA 0.261 4.731 4.470 0.000 0.000 0.235 657 S C 0.448 174.894 174.600 -0.256 0.000 1.073 657 S CA -0.341 57.779 58.200 -0.133 0.000 0.899 657 S CB 0.368 63.540 63.200 -0.047 0.000 0.818 657 S HN 0.844 nan 8.310 nan 0.000 0.484 658 R N -1.373 118.851 120.500 -0.460 0.000 2.643 658 R HA 0.519 4.859 4.340 0.000 0.000 0.269 658 R C -0.957 175.007 176.300 -0.559 0.000 1.037 658 R CA -0.927 54.844 56.100 -0.548 0.000 0.894 658 R CB -0.009 29.961 30.300 -0.550 0.000 1.238 658 R HN 0.138 nan 8.270 nan 0.000 0.459 659 W N 0.941 122.155 121.300 -0.144 0.000 2.519 659 W HA 0.056 4.716 4.660 0.000 0.000 0.266 659 W C 1.057 177.711 176.519 0.224 0.000 1.253 659 W CA 0.534 57.891 57.345 0.019 0.000 1.274 659 W CB 0.294 29.691 29.460 -0.107 0.000 1.114 659 W HN 0.739 nan 8.180 nan 0.000 0.596 660 E N -0.910 119.461 120.200 0.285 0.000 2.409 660 E HA -0.187 4.163 4.350 0.000 0.000 0.198 660 E C 1.230 177.988 176.600 0.263 0.000 1.024 660 E CA 0.986 57.492 56.400 0.177 0.000 0.861 660 E CB -0.360 29.335 29.700 -0.008 0.000 0.788 660 E HN 0.347 nan 8.360 nan 0.000 0.521 661 Y N -1.597 118.805 120.300 0.170 0.000 2.510 661 Y HA 0.123 4.673 4.550 0.000 0.000 0.273 661 Y C 0.596 176.607 175.900 0.186 0.000 1.119 661 Y CA -0.574 57.597 58.100 0.118 0.000 1.286 661 Y CB -0.437 38.037 38.460 0.023 0.000 1.061 661 Y HN 0.019 nan 8.280 nan 0.000 0.542 662 Y N 2.043 122.514 120.300 0.286 0.000 2.334 662 Y HA 0.270 4.820 4.550 0.000 0.000 0.325 662 Y C 0.408 176.528 175.900 0.367 0.000 1.308 662 Y CA -1.861 56.417 58.100 0.298 0.000 1.389 662 Y CB 0.366 39.040 38.460 0.356 0.000 1.328 662 Y HN 0.195 nan 8.280 nan 0.000 0.532 663 D N -0.526 119.597 120.400 -0.460 0.000 2.357 663 D HA 0.094 4.734 4.640 0.000 0.000 0.242 663 D C 0.883 177.177 176.300 -0.010 0.000 1.153 663 D CA 0.321 54.121 54.000 -0.333 0.000 0.918 663 D CB 0.960 41.325 40.800 -0.725 0.000 1.181 663 D HN 0.475 nan 8.370 nan 0.000 0.435 664 S N 1.324 117.022 115.700 -0.004 0.000 2.356 664 S HA -0.245 4.226 4.470 0.000 0.000 0.223 664 S C 2.068 176.704 174.600 0.060 0.000 1.032 664 S CA 0.975 59.225 58.200 0.083 0.000 1.005 664 S CB -1.000 62.255 63.200 0.093 0.000 0.867 664 S HN 0.618 nan 8.310 nan 0.000 0.449 665 V N 0.335 120.223 119.914 -0.043 0.000 2.358 665 V HA -0.106 4.014 4.120 0.000 0.000 0.246 665 V C 2.078 178.092 176.094 -0.133 0.000 1.047 665 V CA 1.871 64.054 62.300 -0.195 0.000 1.035 665 V CB -1.009 30.456 31.823 -0.595 0.000 0.658 665 V HN 0.577 nan 8.190 nan 0.000 0.452 666 Y N 1.558 121.817 120.300 -0.068 0.000 2.133 666 Y HA -0.131 4.419 4.550 0.000 0.000 0.287 666 Y C 2.668 178.595 175.900 0.046 0.000 1.134 666 Y CA 2.645 60.791 58.100 0.077 0.000 1.133 666 Y CB -0.543 38.172 38.460 0.426 0.000 0.987 666 Y HN 0.307 nan 8.280 nan 0.000 0.502 667 T N 0.248 115.035 114.554 0.389 0.000 2.737 667 T HA -0.163 4.187 4.350 0.000 0.000 0.265 667 T C 1.525 176.213 174.700 -0.019 0.000 1.038 667 T CA 1.864 64.133 62.100 0.283 0.000 1.144 667 T CB -0.221 68.963 68.868 0.526 0.000 0.866 667 T HN 0.438 nan 8.240 nan 0.000 0.434 668 E N 0.566 120.765 120.200 -0.002 0.000 2.208 668 E HA -0.017 4.333 4.350 0.000 0.000 0.193 668 E C 2.337 178.809 176.600 -0.212 0.000 0.988 668 E CA 0.254 56.643 56.400 -0.019 0.000 0.828 668 E CB -0.077 29.659 29.700 0.061 0.000 0.763 668 E HN 0.293 nan 8.360 nan 0.000 0.478 669 R N 0.168 120.386 120.500 -0.470 0.000 2.117 669 R HA -0.212 4.128 4.340 0.000 0.000 0.243 669 R C 1.123 176.859 176.300 -0.941 0.000 1.143 669 R CA 1.680 57.289 56.100 -0.818 0.000 0.968 669 R CB 0.005 29.473 30.300 -1.388 0.000 0.863 669 R HN 0.270 nan 8.270 nan 0.000 0.444 670 Y N -2.655 117.327 120.300 -0.530 0.000 2.535 670 Y HA 0.225 4.775 4.550 0.000 0.000 0.266 670 Y C 1.672 177.370 175.900 -0.336 0.000 1.088 670 Y CA -0.073 57.701 58.100 -0.544 0.000 1.285 670 Y CB 0.444 38.450 38.460 -0.758 0.000 1.166 670 Y HN -0.068 nan 8.280 nan 0.000 0.525 671 M N -0.358 119.122 119.600 -0.199 0.000 2.313 671 M HA 0.360 4.840 4.480 0.000 0.000 0.273 671 M C 1.257 177.560 176.300 0.006 0.000 1.049 671 M CA 0.691 55.864 55.300 -0.210 0.000 1.004 671 M CB -0.347 31.926 32.600 -0.545 0.000 1.461 671 M HN 0.371 nan 8.290 nan 0.000 0.514 672 G N 2.105 110.926 108.800 0.036 0.000 2.582 672 G HA2 -0.261 3.699 3.960 0.000 0.000 0.288 672 G HA3 -0.261 3.699 3.960 0.000 0.000 0.288 672 G C -0.517 174.520 174.900 0.229 0.000 1.247 672 G CA -0.383 44.782 45.100 0.107 0.000 0.972 672 G HN 0.305 nan 8.290 nan 0.000 0.557 673 L N 2.515 123.858 121.223 0.200 0.000 2.334 673 L HA 0.600 4.940 4.340 0.000 0.000 0.276 673 L C -1.758 175.128 176.870 0.028 0.000 1.014 673 L CA -2.009 52.898 54.840 0.110 0.000 0.815 673 L CB 1.797 43.881 42.059 0.041 0.000 1.268 673 L HN 0.358 nan 8.230 nan 0.000 0.428 674 P HA 0.152 nan 4.420 nan 0.000 0.218 674 P C -0.746 176.432 177.300 -0.204 0.000 1.793 674 P CA -0.177 62.577 63.100 -0.577 0.000 0.941 674 P CB -0.451 30.637 31.700 -1.020 0.000 1.919 675 T N -3.308 111.205 114.554 -0.069 0.000 2.908 675 T HA 0.474 4.824 4.350 0.000 0.000 0.290 675 T C -2.207 172.497 174.700 0.007 0.000 1.034 675 T CA -2.652 59.430 62.100 -0.029 0.000 1.010 675 T CB 1.800 70.659 68.868 -0.016 0.000 1.068 675 T HN -0.299 nan 8.240 nan 0.000 0.481 676 P HA -0.154 nan 4.420 nan 0.000 0.217 676 P C 1.159 178.475 177.300 0.026 0.000 1.148 676 P CA 1.134 64.247 63.100 0.021 0.000 0.834 676 P CB 0.113 31.821 31.700 0.013 0.000 0.783 677 E N -2.118 118.095 120.200 0.021 0.000 2.463 677 E HA 0.065 4.415 4.350 0.000 0.000 0.193 677 E C 0.600 177.218 176.600 0.029 0.000 1.041 677 E CA 0.284 56.697 56.400 0.022 0.000 0.879 677 E CB -0.030 29.678 29.700 0.013 0.000 0.997 677 E HN 0.221 nan 8.360 nan 0.000 0.478 678 D N 0.950 121.376 120.400 0.043 0.000 3.208 678 D HA 0.068 4.708 4.640 0.000 0.000 0.193 678 D C 0.084 176.440 176.300 0.094 0.000 1.283 678 D CA -0.157 53.880 54.000 0.061 0.000 1.473 678 D CB -0.048 40.791 40.800 0.064 0.000 1.040 678 D HN -0.010 nan 8.370 nan 0.000 0.173 679 N N 0.165 118.956 118.700 0.152 0.000 2.351 679 N HA 0.126 4.866 4.740 0.000 0.000 0.254 679 N C 0.998 176.708 175.510 0.334 0.000 1.241 679 N CA -0.092 53.095 53.050 0.228 0.000 0.883 679 N CB 0.268 38.907 38.487 0.252 0.000 1.202 679 N HN 0.124 nan 8.380 nan 0.000 0.512 680 L N 0.523 121.865 121.223 0.199 0.000 2.013 680 L HA -0.154 4.186 4.340 0.000 0.000 0.212 680 L C 1.162 178.144 176.870 0.187 0.000 1.073 680 L CA 2.021 56.953 54.840 0.154 0.000 0.753 680 L CB -0.410 41.677 42.059 0.046 0.000 0.890 680 L HN 0.132 nan 8.230 nan 0.000 0.432 681 D N -1.546 118.943 120.400 0.148 0.000 2.116 681 D HA -0.262 4.378 4.640 0.000 0.000 0.193 681 D C 2.120 178.512 176.300 0.153 0.000 0.998 681 D CA 1.862 55.937 54.000 0.125 0.000 0.836 681 D CB -0.290 40.571 40.800 0.102 0.000 0.951 681 D HN 0.585 nan 8.370 nan 0.000 0.449 682 H N -0.952 118.176 119.070 0.096 0.000 2.428 682 H HA -0.059 4.497 4.556 0.000 0.000 0.296 682 H C 1.679 177.055 175.328 0.080 0.000 1.062 682 H CA 1.165 57.245 56.048 0.054 0.000 1.350 682 H CB -0.330 29.426 29.762 -0.010 0.000 1.403 682 H HN 0.144 nan 8.280 nan 0.000 0.533 683 Y N 0.326 120.614 120.300 -0.021 0.000 2.151 683 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 683 Y C 2.428 178.287 175.900 -0.068 0.000 1.166 683 Y CA 1.666 59.754 58.100 -0.020 0.000 1.163 683 Y CB 0.066 38.547 38.460 0.035 0.000 0.974 683 Y HN 0.148 nan 8.280 nan 0.000 0.511 684 R N -0.166 120.401 120.500 0.111 0.000 2.093 684 R HA -0.045 4.295 4.340 0.000 0.000 0.224 684 R C 1.483 177.773 176.300 -0.016 0.000 1.101 684 R CA 1.211 57.333 56.100 0.036 0.000 0.979 684 R CB -1.144 29.181 30.300 0.043 0.000 0.877 684 R HN 0.537 nan 8.270 nan 0.000 0.441 685 N N 0.700 119.375 118.700 -0.042 0.000 2.515 685 N HA -0.067 4.673 4.740 0.000 0.000 0.185 685 N C 0.407 175.849 175.510 -0.112 0.000 1.109 685 N CA 0.702 53.722 53.050 -0.050 0.000 0.903 685 N CB 0.170 38.669 38.487 0.022 0.000 0.969 685 N HN 0.146 nan 8.380 nan 0.000 0.450 686 S N -0.368 115.218 115.700 -0.190 0.000 2.601 686 S HA 0.047 4.518 4.470 0.000 0.000 0.244 686 S C 0.535 175.164 174.600 0.049 0.000 1.001 686 S CA -0.801 57.335 58.200 -0.106 0.000 0.984 686 S CB -0.173 62.875 63.200 -0.254 0.000 0.842 686 S HN 0.139 nan 8.310 nan 0.000 0.474 687 T N -1.043 113.499 114.554 -0.019 0.000 2.909 687 T HA 0.456 4.806 4.350 0.000 0.000 0.289 687 T C 1.329 176.008 174.700 -0.034 0.000 1.005 687 T CA -0.145 61.931 62.100 -0.040 0.000 1.084 687 T CB 1.516 70.331 68.868 -0.087 0.000 0.975 687 T HN 0.432 nan 8.240 nan 0.000 0.509 688 V N 2.359 122.246 119.914 -0.046 0.000 2.719 688 V HA -0.026 4.095 4.120 0.000 0.000 0.252 688 V C 2.167 178.205 176.094 -0.093 0.000 1.065 688 V CA 1.300 63.559 62.300 -0.069 0.000 1.086 688 V CB -1.113 30.664 31.823 -0.077 0.000 0.700 688 V HN 0.859 nan 8.190 nan 0.000 0.467 689 M N 2.376 121.911 119.600 -0.109 0.000 2.106 689 M HA -0.144 4.336 4.480 0.000 0.000 0.259 689 M C 2.412 178.664 176.300 -0.081 0.000 1.068 689 M CA 2.497 57.726 55.300 -0.119 0.000 1.100 689 M CB -0.992 31.555 32.600 -0.087 0.000 1.351 689 M HN 0.724 nan 8.290 nan 0.000 0.404 690 S N -0.390 115.280 115.700 -0.050 0.000 2.507 690 S HA -0.064 4.407 4.470 0.000 0.000 0.235 690 S C 1.634 176.230 174.600 -0.007 0.000 0.988 690 S CA 0.665 58.849 58.200 -0.027 0.000 0.944 690 S CB -0.501 62.686 63.200 -0.021 0.000 0.762 690 S HN 0.534 nan 8.310 nan 0.000 0.526 691 R N 0.456 120.962 120.500 0.010 0.000 2.427 691 R HA 0.453 4.794 4.340 0.000 0.000 0.262 691 R C 1.991 178.385 176.300 0.157 0.000 0.943 691 R CA 0.416 56.556 56.100 0.067 0.000 1.081 691 R CB -0.156 30.191 30.300 0.078 0.000 1.166 691 R HN 0.456 nan 8.270 nan 0.000 0.534 692 A N 1.642 124.485 122.820 0.039 0.000 1.917 692 A HA -0.276 4.045 4.320 0.000 0.000 0.219 692 A C 2.073 179.712 177.584 0.092 0.000 1.182 692 A CA 1.876 53.891 52.037 -0.037 0.000 0.633 692 A CB -0.222 18.703 19.000 -0.126 0.000 0.819 692 A HN 0.267 nan 8.150 nan 0.000 0.448 693 E N 0.765 121.009 120.200 0.072 0.000 2.085 693 E HA -0.174 4.177 4.350 0.000 0.000 0.194 693 E C 1.642 178.300 176.600 0.097 0.000 0.994 693 E CA 1.647 58.089 56.400 0.070 0.000 0.801 693 E CB -0.290 29.435 29.700 0.041 0.000 0.743 693 E HN 0.609 nan 8.360 nan 0.000 0.453 694 N N -0.390 118.369 118.700 0.099 0.000 2.520 694 N HA -0.115 4.625 4.740 0.000 0.000 0.185 694 N C 0.909 176.429 175.510 0.017 0.000 1.068 694 N CA 0.542 53.613 53.050 0.035 0.000 0.911 694 N CB -0.209 38.258 38.487 -0.034 0.000 0.961 694 N HN 0.229 nan 8.380 nan 0.000 0.446 695 F N 1.577 121.481 119.950 -0.076 0.000 2.641 695 F HA 0.028 4.556 4.527 0.000 0.000 0.298 695 F C 1.979 177.781 175.800 0.004 0.000 1.146 695 F CA 0.598 58.547 58.000 -0.084 0.000 1.464 695 F CB -0.010 38.886 39.000 -0.174 0.000 1.101 695 F HN -0.073 nan 8.300 nan 0.000 0.585 696 K N -0.055 120.446 120.400 0.170 0.000 2.360 696 K HA -0.189 4.132 4.320 0.000 0.000 0.201 696 K C 1.563 178.218 176.600 0.092 0.000 1.046 696 K CA 1.074 57.437 56.287 0.126 0.000 0.945 696 K CB -0.185 32.370 32.500 0.092 0.000 0.750 696 K HN 0.439 nan 8.250 nan 0.000 0.464 697 Q N 0.176 120.010 119.800 0.057 0.000 2.425 697 Q HA 0.027 4.368 4.340 0.000 0.000 0.204 697 Q C 0.356 176.384 176.000 0.047 0.000 0.933 697 Q CA 0.144 55.967 55.803 0.034 0.000 0.939 697 Q CB 0.633 29.371 28.738 -0.000 0.000 1.044 697 Q HN 0.133 nan 8.270 nan 0.000 0.513 698 V N -3.058 116.896 119.914 0.067 0.000 3.160 698 V HA 0.461 4.581 4.120 0.000 0.000 0.310 698 V C -1.280 174.940 176.094 0.211 0.000 1.181 698 V CA -1.373 60.993 62.300 0.111 0.000 1.047 698 V CB 2.207 34.054 31.823 0.039 0.000 1.068 698 V HN -0.022 nan 8.190 nan 0.000 0.441 699 E N 1.369 121.729 120.200 0.266 0.000 2.200 699 E HA 0.454 4.805 4.350 0.000 0.000 0.283 699 E C -1.790 175.168 176.600 0.597 0.000 1.015 699 E CA -0.338 56.298 56.400 0.393 0.000 0.819 699 E CB 1.592 31.470 29.700 0.298 0.000 1.081 699 E HN 0.664 nan 8.360 nan 0.000 0.397 700 Y N 3.163 123.713 120.300 0.418 0.000 2.364 700 Y HA 0.410 4.960 4.550 0.000 0.000 0.340 700 Y C -1.498 174.480 175.900 0.131 0.000 0.975 700 Y CA -1.601 56.686 58.100 0.312 0.000 1.089 700 Y CB 1.075 39.762 38.460 0.377 0.000 1.192 700 Y HN 0.418 nan 8.280 nan 0.000 0.454 701 L N 7.677 128.595 121.223 -0.508 0.000 2.298 701 L HA 0.562 4.902 4.340 0.000 0.000 0.284 701 L C -1.928 174.459 176.870 -0.805 0.000 1.013 701 L CA -0.766 53.633 54.840 -0.734 0.000 0.824 701 L CB 1.115 42.444 42.059 -1.215 0.000 1.221 701 L HN 0.642 nan 8.230 nan 0.000 0.418 702 L N 6.743 127.599 121.223 -0.612 0.000 2.296 702 L HA 0.683 5.023 4.340 0.000 0.000 0.286 702 L C -1.078 175.676 176.870 -0.192 0.000 1.023 702 L CA 0.037 54.585 54.840 -0.487 0.000 0.812 702 L CB 1.092 42.923 42.059 -0.380 0.000 1.223 702 L HN 0.573 nan 8.230 nan 0.000 0.421 703 I N 4.572 125.043 120.570 -0.165 0.000 2.545 703 I HA 0.461 4.631 4.170 0.000 0.000 0.292 703 I C -1.158 174.965 176.117 0.009 0.000 1.040 703 I CA -0.681 60.578 61.300 -0.069 0.000 1.068 703 I CB 1.972 39.887 38.000 -0.142 0.000 1.251 703 I HN 0.675 nan 8.210 nan 0.000 0.424 704 H N 2.357 121.493 119.070 0.110 0.000 3.086 704 H HA 0.474 5.030 4.556 0.000 0.000 0.353 704 H C -0.297 175.270 175.328 0.397 0.000 1.134 704 H CA -0.561 55.608 56.048 0.203 0.000 1.248 704 H CB 2.009 31.861 29.762 0.151 0.000 1.878 704 H HN 0.749 nan 8.280 nan 0.000 0.527 705 G N 1.103 110.215 108.800 0.519 0.000 2.380 705 G HA2 0.188 4.148 3.960 0.000 0.000 0.262 705 G HA3 0.188 4.148 3.960 0.000 0.000 0.262 705 G C 1.162 176.325 174.900 0.439 0.000 1.243 705 G CA 0.167 45.540 45.100 0.455 0.000 0.865 705 G HN 0.758 nan 8.290 nan 0.000 0.513 706 T N -0.541 114.116 114.554 0.171 0.000 2.995 706 T HA 0.089 4.439 4.350 0.000 0.000 0.269 706 T C 1.628 176.317 174.700 -0.019 0.000 1.091 706 T CA 1.256 63.263 62.100 -0.154 0.000 1.128 706 T CB 0.165 68.848 68.868 -0.307 0.000 0.891 706 T HN 0.701 nan 8.240 nan 0.000 0.492 707 A N 1.056 123.942 122.820 0.110 0.000 2.842 707 A HA 0.355 4.675 4.320 0.000 0.000 0.298 707 A C 0.222 177.793 177.584 -0.023 0.000 1.293 707 A CA -0.545 51.546 52.037 0.091 0.000 0.959 707 A CB -0.278 19.039 19.000 0.529 0.000 1.119 707 A HN 0.376 nan 8.150 nan 0.000 0.564 708 D N 1.289 121.672 120.400 -0.027 0.000 2.325 708 D HA 0.054 4.694 4.640 0.000 0.000 0.251 708 D C 0.363 176.609 176.300 -0.092 0.000 1.196 708 D CA 0.041 54.115 54.000 0.123 0.000 0.866 708 D CB 0.843 41.875 40.800 0.386 0.000 1.101 708 D HN 0.546 nan 8.370 nan 0.000 0.476 709 D N 2.333 122.724 120.400 -0.015 0.000 2.366 709 D HA -0.113 4.527 4.640 0.000 0.000 0.205 709 D C 0.944 177.169 176.300 -0.125 0.000 1.022 709 D CA -0.150 53.769 54.000 -0.135 0.000 0.868 709 D CB 0.391 41.024 40.800 -0.278 0.000 0.953 709 D HN 0.216 nan 8.370 nan 0.000 0.514 710 N N 1.320 120.063 118.700 0.071 0.000 2.272 710 N HA -0.097 4.643 4.740 0.000 0.000 0.195 710 N C 0.344 175.778 175.510 -0.127 0.000 1.048 710 N CA 0.811 53.953 53.050 0.152 0.000 0.912 710 N CB 0.179 38.710 38.487 0.073 0.000 1.096 710 N HN 0.060 nan 8.380 nan 0.000 0.471 711 V N 2.868 122.730 119.914 -0.088 0.000 2.334 711 V HA 0.321 4.441 4.120 0.000 0.000 0.267 711 V C -0.818 175.345 176.094 0.116 0.000 1.040 711 V CA -0.619 61.687 62.300 0.010 0.000 0.866 711 V CB -0.496 31.401 31.823 0.123 0.000 1.019 711 V HN 0.329 nan 8.190 nan 0.000 0.468 712 H N 5.080 124.140 119.070 -0.017 0.000 2.815 712 H HA 0.108 4.664 4.556 0.000 0.000 0.350 712 H C 0.554 175.758 175.328 -0.207 0.000 1.080 712 H CA 0.588 56.540 56.048 -0.161 0.000 1.433 712 H CB 0.802 30.378 29.762 -0.310 0.000 1.432 712 H HN 0.792 nan 8.280 nan 0.000 0.592 713 F N 2.146 121.940 119.950 -0.261 0.000 2.147 713 F HA -0.341 4.186 4.527 0.000 0.000 0.301 713 F C 2.595 178.119 175.800 -0.460 0.000 1.084 713 F CA 1.939 59.604 58.000 -0.558 0.000 1.268 713 F CB -0.230 38.620 39.000 -0.250 0.000 1.009 713 F HN 0.686 nan 8.300 nan 0.000 0.486 714 Q N 0.136 119.783 119.800 -0.254 0.000 2.188 714 Q HA -0.380 3.960 4.340 0.000 0.000 0.217 714 Q C 2.132 177.881 176.000 -0.417 0.000 1.018 714 Q CA 2.772 58.373 55.803 -0.337 0.000 0.910 714 Q CB -0.428 28.105 28.738 -0.342 0.000 0.979 714 Q HN 0.636 nan 8.270 nan 0.000 0.413 715 Q N -0.294 119.302 119.800 -0.339 0.000 2.050 715 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 715 Q C 2.350 178.225 176.000 -0.208 0.000 0.980 715 Q CA 1.936 57.658 55.803 -0.134 0.000 0.840 715 Q CB -0.273 28.468 28.738 0.004 0.000 0.898 715 Q HN 0.580 nan 8.270 nan 0.000 0.424 716 S N 0.488 115.939 115.700 -0.415 0.000 2.428 716 S HA 0.023 4.493 4.470 0.000 0.000 0.230 716 S C 2.176 176.499 174.600 -0.461 0.000 1.014 716 S CA 0.702 58.677 58.200 -0.374 0.000 0.957 716 S CB -0.128 62.858 63.200 -0.356 0.000 0.784 716 S HN 0.361 nan 8.310 nan 0.000 0.499 717 A N 1.682 124.111 122.820 -0.651 0.000 1.933 717 A HA -0.092 4.228 4.320 0.000 0.000 0.218 717 A C 2.397 179.846 177.584 -0.225 0.000 1.175 717 A CA 1.452 53.226 52.037 -0.437 0.000 0.628 717 A CB -0.623 18.154 19.000 -0.371 0.000 0.814 717 A HN 0.550 nan 8.150 nan 0.000 0.444 718 Q N -0.447 119.236 119.800 -0.195 0.000 2.172 718 Q HA -0.005 4.336 4.340 0.000 0.000 0.200 718 Q C 2.112 178.041 176.000 -0.120 0.000 0.964 718 Q CA 0.985 56.731 55.803 -0.095 0.000 0.855 718 Q CB -0.329 28.427 28.738 0.029 0.000 0.918 718 Q HN 0.790 nan 8.270 nan 0.000 0.444 719 I N 1.148 121.618 120.570 -0.167 0.000 2.179 719 I HA -0.277 3.893 4.170 0.000 0.000 0.242 719 I C 2.559 178.489 176.117 -0.312 0.000 1.088 719 I CA 1.457 62.612 61.300 -0.241 0.000 1.357 719 I CB -0.456 37.408 38.000 -0.226 0.000 1.051 719 I HN 0.183 nan 8.210 nan 0.000 0.409 720 S N 1.059 116.615 115.700 -0.240 0.000 2.356 720 S HA -0.272 4.198 4.470 0.000 0.000 0.223 720 S C 2.039 176.616 174.600 -0.037 0.000 1.032 720 S CA 1.417 59.530 58.200 -0.145 0.000 1.005 720 S CB -0.482 62.787 63.200 0.114 0.000 0.867 720 S HN 0.355 nan 8.310 nan 0.000 0.449 721 K N 1.870 122.244 120.400 -0.043 0.000 2.063 721 K HA -0.021 4.300 4.320 0.000 0.000 0.208 721 K C 2.243 178.819 176.600 -0.040 0.000 1.048 721 K CA 1.305 57.581 56.287 -0.019 0.000 0.928 721 K CB -0.730 31.751 32.500 -0.031 0.000 0.713 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 0.832 123.595 122.820 -0.096 0.000 1.930 722 A HA -0.073 4.247 4.320 0.000 0.000 0.217 722 A C 2.082 179.586 177.584 -0.133 0.000 1.175 722 A CA 1.233 53.203 52.037 -0.111 0.000 0.627 722 A CB -0.513 18.400 19.000 -0.146 0.000 0.815 722 A HN 0.316 nan 8.150 nan 0.000 0.443 723 L N -0.707 120.389 121.223 -0.212 0.000 2.056 723 L HA -0.125 4.215 4.340 0.000 0.000 0.207 723 L C 2.496 179.385 176.870 0.031 0.000 1.078 723 L CA 0.916 55.646 54.840 -0.184 0.000 0.749 723 L CB -0.712 41.067 42.059 -0.466 0.000 0.901 723 L HN 0.213 nan 8.230 nan 0.000 0.433 724 V N 0.129 120.107 119.914 0.107 0.000 2.324 724 V HA -0.319 3.801 4.120 0.000 0.000 0.250 724 V C 1.976 178.108 176.094 0.063 0.000 1.060 724 V CA 2.003 64.381 62.300 0.129 0.000 1.042 724 V CB -0.547 31.350 31.823 0.123 0.000 0.650 724 V HN 0.445 nan 8.190 nan 0.000 0.450 725 D N -0.110 120.306 120.400 0.027 0.000 2.269 725 D HA -0.074 4.566 4.640 0.000 0.000 0.208 725 D C 1.733 178.043 176.300 0.016 0.000 0.963 725 D CA 1.471 55.480 54.000 0.015 0.000 0.864 725 D CB 0.041 40.841 40.800 -0.001 0.000 0.936 725 D HN 0.571 nan 8.370 nan 0.000 0.505 726 V N -3.999 115.925 119.914 0.018 0.000 3.578 726 V HA 0.508 4.628 4.120 0.000 0.000 0.290 726 V C 1.208 177.329 176.094 0.045 0.000 1.376 726 V CA 0.297 62.612 62.300 0.024 0.000 1.083 726 V CB 0.017 31.849 31.823 0.016 0.000 0.911 726 V HN 0.118 nan 8.190 nan 0.000 0.433 727 G N 0.803 109.638 108.800 0.059 0.000 2.212 727 G HA2 -0.153 3.807 3.960 0.000 0.000 0.255 727 G HA3 -0.153 3.807 3.960 0.000 0.000 0.255 727 G C -0.002 174.960 174.900 0.102 0.000 1.062 727 G CA 0.386 45.531 45.100 0.074 0.000 0.815 727 G HN 1.781 nan 8.290 nan 0.000 0.497 728 V N -0.824 119.172 119.914 0.137 0.000 2.407 728 V HA 0.695 4.815 4.120 0.000 0.000 0.278 728 V C 0.244 176.521 176.094 0.306 0.000 1.037 728 V CA -0.593 61.823 62.300 0.194 0.000 0.900 728 V CB 1.655 33.590 31.823 0.186 0.000 0.983 728 V HN 0.292 nan 8.190 nan 0.000 0.459 729 D N 5.465 126.010 120.400 0.242 0.000 2.345 729 D HA 0.538 5.178 4.640 0.000 0.000 0.247 729 D C -0.449 176.076 176.300 0.375 0.000 1.108 729 D CA 0.403 54.530 54.000 0.212 0.000 0.894 729 D CB 0.673 41.541 40.800 0.113 0.000 1.203 729 D HN 0.665 nan 8.370 nan 0.000 0.430 730 F N 0.028 120.063 119.950 0.141 0.000 2.745 730 F HA 0.535 5.062 4.527 0.000 0.000 0.316 730 F C -1.123 174.745 175.800 0.114 0.000 1.155 730 F CA -1.249 56.862 58.000 0.184 0.000 0.937 730 F CB 0.953 40.108 39.000 0.257 0.000 1.361 730 F HN 0.076 nan 8.300 nan 0.000 0.472 731 Q N 1.269 121.164 119.800 0.158 0.000 2.245 731 Q HA 0.817 5.157 4.340 0.000 0.000 0.256 731 Q C -0.987 175.028 176.000 0.024 0.000 0.942 731 Q CA -0.624 55.178 55.803 -0.002 0.000 0.896 731 Q CB 2.091 30.857 28.738 0.048 0.000 1.272 731 Q HN 0.958 nan 8.270 nan 0.000 0.442 732 A N 2.033 124.831 122.820 -0.037 0.000 2.423 732 A HA 0.921 5.242 4.320 0.000 0.000 0.304 732 A C -1.492 176.049 177.584 -0.072 0.000 1.104 732 A CA -0.625 51.427 52.037 0.025 0.000 0.757 732 A CB 1.642 20.715 19.000 0.121 0.000 1.313 732 A HN 0.626 nan 8.150 nan 0.000 0.423 733 M N 1.505 121.047 119.600 -0.097 0.000 2.310 733 M HA 0.455 4.935 4.480 0.000 0.000 0.242 733 M C -1.822 174.352 176.300 -0.210 0.000 1.000 733 M CA -0.747 54.337 55.300 -0.360 0.000 0.970 733 M CB 0.839 33.141 32.600 -0.497 0.000 2.191 733 M HN 0.893 nan 8.290 nan 0.000 0.470 734 W N 4.698 125.870 121.300 -0.214 0.000 2.313 734 W HA 0.715 5.376 4.660 0.001 0.000 0.328 734 W C -1.835 174.428 176.519 -0.426 0.000 1.197 734 W CA -0.549 56.724 57.345 -0.119 0.000 1.235 734 W CB 0.225 29.643 29.460 -0.071 0.000 1.158 734 W HN 0.622 nan 8.180 nan 0.000 0.578 735 Y N 2.911 123.287 120.300 0.127 0.000 2.464 735 Y HA 0.266 4.816 4.550 0.000 0.000 0.326 735 Y C 0.553 176.536 175.900 0.137 0.000 0.969 735 Y CA -1.128 56.979 58.100 0.011 0.000 1.270 735 Y CB 1.006 39.464 38.460 -0.005 0.000 1.103 735 Y HN 0.429 nan 8.280 nan 0.000 0.491 736 T N 4.734 119.439 114.554 0.251 0.000 2.778 736 T HA -0.043 4.307 4.350 0.000 0.000 0.282 736 T C 0.164 174.927 174.700 0.105 0.000 0.983 736 T CA 0.789 62.985 62.100 0.159 0.000 1.193 736 T CB -0.210 68.695 68.868 0.061 0.000 0.938 736 T HN 0.715 nan 8.240 nan 0.000 0.523 737 D N 0.569 121.020 120.400 0.086 0.000 3.028 737 D HA -0.122 4.519 4.640 0.000 0.000 0.207 737 D C 0.293 176.735 176.300 0.237 0.000 1.100 737 D CA 1.084 55.093 54.000 0.015 0.000 0.995 737 D CB -0.451 40.131 40.800 -0.364 0.000 1.108 737 D HN 0.573 nan 8.370 nan 0.000 0.421 738 E N 1.090 121.434 120.200 0.240 0.000 2.343 738 E HA 0.303 4.653 4.350 0.000 0.000 0.269 738 E C 0.786 177.564 176.600 0.298 0.000 1.047 738 E CA -0.141 56.417 56.400 0.263 0.000 0.874 738 E CB 1.044 30.884 29.700 0.233 0.000 1.033 738 E HN 0.366 nan 8.360 nan 0.000 0.409 739 D N -0.284 120.303 120.400 0.311 0.000 2.511 739 D HA -0.003 4.637 4.640 0.000 0.000 0.283 739 D C 1.097 177.616 176.300 0.365 0.000 1.198 739 D CA -0.231 53.973 54.000 0.339 0.000 1.097 739 D CB -0.204 40.822 40.800 0.376 0.000 1.160 739 D HN 0.415 nan 8.370 nan 0.000 0.589 740 H N -1.429 117.814 119.070 0.287 0.000 2.422 740 H HA 0.059 4.615 4.556 0.000 0.000 0.298 740 H C 1.899 177.481 175.328 0.422 0.000 1.098 740 H CA 2.258 58.498 56.048 0.321 0.000 1.315 740 H CB -0.412 29.526 29.762 0.294 0.000 1.382 740 H HN 0.499 nan 8.280 nan 0.000 0.523 741 G N -0.415 108.564 108.800 0.298 0.000 2.777 741 G HA2 0.021 3.982 3.960 0.000 0.000 0.211 741 G HA3 0.021 3.982 3.960 0.000 0.000 0.211 741 G C 0.531 175.614 174.900 0.306 0.000 1.149 741 G CA 0.238 45.441 45.100 0.172 0.000 0.785 741 G HN 0.499 nan 8.290 nan 0.000 0.536 742 I N 0.131 120.899 120.570 0.330 0.000 3.775 742 I HA -0.326 3.845 4.170 0.000 0.000 0.126 742 I C 1.422 177.661 176.117 0.203 0.000 1.037 742 I CA 0.236 61.670 61.300 0.225 0.000 2.738 742 I CB -0.939 37.140 38.000 0.133 0.000 1.374 742 I HN 0.236 nan 8.210 nan 0.000 0.342 743 A N 1.377 124.297 122.820 0.166 0.000 2.469 743 A HA 0.334 4.654 4.320 0.000 0.000 0.245 743 A C 1.006 178.646 177.584 0.092 0.000 1.221 743 A CA 0.013 52.125 52.037 0.126 0.000 0.946 743 A CB 0.389 19.436 19.000 0.079 0.000 1.049 743 A HN 0.416 nan 8.150 nan 0.000 0.529 744 S N 0.238 116.002 115.700 0.108 0.000 2.558 744 S HA 0.078 4.549 4.470 0.000 0.000 0.287 744 S C 1.646 176.301 174.600 0.093 0.000 1.321 744 S CA 0.565 58.821 58.200 0.093 0.000 1.048 744 S CB 1.069 64.327 63.200 0.097 0.000 0.844 744 S HN 0.595 nan 8.310 nan 0.000 0.512 745 S N 2.088 117.828 115.700 0.067 0.000 2.365 745 S HA -0.188 4.282 4.470 0.000 0.000 0.225 745 S C 2.176 176.837 174.600 0.101 0.000 1.039 745 S CA 2.297 60.535 58.200 0.064 0.000 1.033 745 S CB -0.703 62.518 63.200 0.036 0.000 0.887 745 S HN 0.953 nan 8.310 nan 0.000 0.447 746 T N -0.757 113.848 114.554 0.084 0.000 2.894 746 T HA 0.306 4.656 4.350 0.000 0.000 0.258 746 T C 2.016 176.772 174.700 0.094 0.000 1.043 746 T CA 1.091 63.242 62.100 0.085 0.000 1.141 746 T CB -0.901 68.007 68.868 0.068 0.000 0.873 746 T HN 0.427 nan 8.240 nan 0.000 0.449 747 A N 1.704 124.557 122.820 0.056 0.000 1.908 747 A HA -0.162 4.158 4.320 0.000 0.000 0.218 747 A C 2.207 179.737 177.584 -0.090 0.000 1.181 747 A CA 2.271 54.269 52.037 -0.065 0.000 0.627 747 A CB -1.422 17.515 19.000 -0.106 0.000 0.818 747 A HN 0.792 nan 8.150 nan 0.000 0.445 748 H N -0.269 118.785 119.070 -0.026 0.000 2.319 748 H HA -0.173 4.383 4.556 0.000 0.000 0.297 748 H C 2.106 177.512 175.328 0.129 0.000 1.097 748 H CA 2.414 58.509 56.048 0.078 0.000 1.285 748 H CB -0.227 29.580 29.762 0.075 0.000 1.368 748 H HN 0.592 nan 8.280 nan 0.000 0.495 749 Q N -1.219 118.595 119.800 0.025 0.000 2.167 749 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 749 Q C 2.137 178.136 176.000 -0.003 0.000 0.970 749 Q CA 1.253 57.035 55.803 -0.034 0.000 0.855 749 Q CB -0.077 28.678 28.738 0.028 0.000 0.911 749 Q HN 0.631 nan 8.270 nan 0.000 0.438 750 H N 0.569 119.616 119.070 -0.039 0.000 2.372 750 H HA -0.003 4.553 4.556 0.001 0.000 0.301 750 H C 2.000 177.338 175.328 0.018 0.000 1.065 750 H CA 0.989 57.051 56.048 0.024 0.000 1.364 750 H CB 0.047 29.872 29.762 0.105 0.000 1.406 750 H HN 0.263 nan 8.280 nan 0.000 0.521 751 I N 0.240 120.817 120.570 0.011 0.000 2.179 751 I HA -0.349 3.821 4.170 0.000 0.000 0.242 751 I C 1.807 177.722 176.117 -0.336 0.000 1.088 751 I CA 1.437 62.648 61.300 -0.147 0.000 1.357 751 I CB -0.288 37.424 38.000 -0.480 0.000 1.051 751 I HN 0.170 nan 8.210 nan 0.000 0.409 752 Y N 0.708 120.808 120.300 -0.333 0.000 2.293 752 Y HA -0.209 4.342 4.550 0.000 0.000 0.291 752 Y C 2.672 178.369 175.900 -0.339 0.000 1.137 752 Y CA 1.769 59.558 58.100 -0.519 0.000 1.202 752 Y CB -0.599 37.572 38.460 -0.483 0.000 0.990 752 Y HN 0.179 nan 8.280 nan 0.000 0.537 753 T N -1.589 112.899 114.554 -0.110 0.000 2.701 753 T HA -0.240 4.110 4.350 0.000 0.000 0.263 753 T C 1.520 176.119 174.700 -0.168 0.000 1.040 753 T CA 1.852 63.850 62.100 -0.170 0.000 1.147 753 T CB -0.542 68.226 68.868 -0.166 0.000 0.865 753 T HN 0.386 nan 8.240 nan 0.000 0.426 754 H N 1.107 120.068 119.070 -0.181 0.000 2.289 754 H HA 0.005 4.561 4.556 0.000 0.000 0.296 754 H C 2.218 177.532 175.328 -0.024 0.000 1.091 754 H CA 1.799 57.809 56.048 -0.063 0.000 1.274 754 H CB -0.352 29.372 29.762 -0.063 0.000 1.364 754 H HN 0.245 nan 8.280 nan 0.000 0.490 755 M N -0.851 118.671 119.600 -0.130 0.000 2.149 755 M HA -0.191 4.289 4.480 0.000 0.000 0.261 755 M C 2.467 178.851 176.300 0.139 0.000 1.064 755 M CA 1.591 56.790 55.300 -0.169 0.000 1.102 755 M CB -0.120 32.078 32.600 -0.669 0.000 1.369 755 M HN 0.216 nan 8.290 nan 0.000 0.408 756 S N -0.671 115.132 115.700 0.173 0.000 2.356 756 S HA -0.151 4.319 4.470 0.000 0.000 0.223 756 S C 1.681 176.378 174.600 0.160 0.000 1.032 756 S CA 0.991 59.410 58.200 0.364 0.000 1.005 756 S CB -0.543 62.842 63.200 0.308 0.000 0.867 756 S HN 0.457 nan 8.310 nan 0.000 0.449 757 H N 0.053 119.185 119.070 0.103 0.000 2.319 757 H HA -0.102 4.454 4.556 0.000 0.000 0.297 757 H C 1.992 177.324 175.328 0.007 0.000 1.097 757 H CA 1.565 57.628 56.048 0.025 0.000 1.285 757 H CB -0.882 28.848 29.762 -0.054 0.000 1.368 757 H HN 0.458 nan 8.280 nan 0.000 0.495 758 F N 1.247 121.180 119.950 -0.028 0.000 2.095 758 F HA -0.200 4.327 4.527 0.001 0.000 0.298 758 F C 2.332 178.084 175.800 -0.079 0.000 1.104 758 F CA 1.009 58.962 58.000 -0.080 0.000 1.232 758 F CB -0.283 38.638 39.000 -0.131 0.000 0.987 758 F HN -0.036 nan 8.300 nan 0.000 0.475 759 I N 0.696 121.277 120.570 0.018 0.000 2.179 759 I HA -0.275 3.895 4.170 0.000 0.000 0.242 759 I C 2.279 178.172 176.117 -0.374 0.000 1.088 759 I CA 1.507 62.645 61.300 -0.270 0.000 1.357 759 I CB -1.377 36.554 38.000 -0.115 0.000 1.051 759 I HN 0.217 nan 8.210 nan 0.000 0.409 760 K N 0.085 120.423 120.400 -0.102 0.000 2.063 760 K HA -0.230 4.091 4.320 0.000 0.000 0.208 760 K C 2.166 178.750 176.600 -0.027 0.000 1.048 760 K CA 1.212 57.497 56.287 -0.003 0.000 0.928 760 K CB -0.175 32.377 32.500 0.088 0.000 0.713 760 K HN 0.292 nan 8.250 nan 0.000 0.442 761 Q N 0.776 120.517 119.800 -0.098 0.000 2.079 761 Q HA -0.176 4.164 4.340 0.000 0.000 0.200 761 Q C 2.309 178.210 176.000 -0.165 0.000 0.974 761 Q CA 1.385 57.119 55.803 -0.116 0.000 0.840 761 Q CB -0.457 28.194 28.738 -0.145 0.000 0.898 761 Q HN 0.418 nan 8.270 nan 0.000 0.430 762 c N 0.143 118.533 118.600 -0.349 0.000 2.411 762 c HA -0.102 4.468 4.570 0.000 0.000 0.279 762 c C 1.978 176.107 174.090 0.065 0.000 1.288 762 c CA 0.479 56.626 56.329 -0.303 0.000 1.764 762 c CB -1.161 40.996 42.510 -0.589 0.000 1.974 762 c HN 0.449 nan 8.230 nan 0.000 0.498 763 F N 1.367 121.279 119.950 -0.064 0.000 2.664 763 F HA 0.276 4.803 4.527 0.000 0.000 0.303 763 F C 1.632 177.421 175.800 -0.019 0.000 1.092 763 F CA 0.201 58.187 58.000 -0.023 0.000 1.305 763 F CB -1.189 37.807 39.000 -0.006 0.000 1.054 763 F HN 0.199 nan 8.300 nan 0.000 0.565 764 S N 0.850 116.635 115.700 0.141 0.000 3.533 764 S HA -0.217 4.253 4.470 0.000 0.000 0.347 764 S C 0.218 174.864 174.600 0.076 0.000 1.101 764 S CA 0.154 58.399 58.200 0.076 0.000 1.009 764 S CB -2.075 61.157 63.200 0.054 0.000 0.916 764 S HN 0.237 nan 8.310 nan 0.000 0.496 765 L N 1.343 122.626 121.223 0.100 0.000 2.326 765 L HA 0.436 4.776 4.340 0.000 0.000 0.278 765 L C -1.237 175.678 176.870 0.075 0.000 1.092 765 L CA -1.896 52.999 54.840 0.091 0.000 0.810 765 L CB 0.195 42.324 42.059 0.118 0.000 1.153 765 L HN 0.038 nan 8.230 nan 0.000 0.439 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.730 31.700 0.050 0.000 0.726