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 3o95_1_D 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 0.000 176.350 176.300 0.083 0.000 0.893 40 R CA 0.000 56.142 56.100 0.070 0.000 0.921 40 R CB 0.000 30.337 30.300 0.062 0.000 0.687 41 K N 1.457 121.914 120.400 0.095 0.000 2.288 41 K HA 0.528 4.834 4.320 -0.023 0.000 0.234 41 K C -0.238 176.441 176.600 0.132 0.000 1.037 41 K CA -0.319 56.035 56.287 0.111 0.000 0.914 41 K CB 1.879 34.450 32.500 0.118 0.000 1.197 41 K HN 0.080 nan 8.250 nan 0.000 0.471 42 T N -2.748 111.897 114.554 0.153 0.000 2.910 42 T HA 0.238 4.574 4.350 -0.023 0.000 0.287 42 T C -0.849 174.004 174.700 0.255 0.000 1.050 42 T CA -0.722 61.489 62.100 0.185 0.000 1.011 42 T CB 0.576 69.544 68.868 0.167 0.000 1.195 42 T HN 0.506 nan 8.240 nan 0.000 0.540 43 Y N 2.741 123.142 120.300 0.168 0.000 2.624 43 Y HA 0.369 4.905 4.550 -0.024 0.000 0.354 43 Y C 1.067 177.146 175.900 0.298 0.000 1.051 43 Y CA -0.113 58.133 58.100 0.244 0.000 1.377 43 Y CB -0.307 38.264 38.460 0.185 0.000 1.168 43 Y HN 0.985 nan 8.280 nan 0.000 0.525 44 T N 1.948 116.526 114.554 0.039 0.000 2.862 44 T HA 0.150 4.486 4.350 -0.023 0.000 0.276 44 T C 0.921 175.603 174.700 -0.031 0.000 0.974 44 T CA -0.796 61.397 62.100 0.155 0.000 0.966 44 T CB 1.194 70.103 68.868 0.068 0.000 1.072 44 T HN 0.603 nan 8.240 nan 0.000 0.538 45 L N 0.976 122.045 121.223 -0.257 0.000 2.056 45 L HA 0.038 4.364 4.340 -0.023 0.000 0.207 45 L C 2.692 179.438 176.870 -0.207 0.000 1.078 45 L CA 2.205 56.717 54.840 -0.547 0.000 0.749 45 L CB -1.523 40.061 42.059 -0.790 0.000 0.901 45 L HN 0.981 nan 8.230 nan 0.000 0.433 46 T N -0.902 113.557 114.554 -0.158 0.000 2.788 46 T HA -0.166 4.170 4.350 -0.023 0.000 0.268 46 T C 1.509 176.112 174.700 -0.161 0.000 1.044 46 T CA 1.305 63.330 62.100 -0.126 0.000 1.139 46 T CB -0.430 68.384 68.868 -0.091 0.000 0.867 46 T HN 0.343 nan 8.240 nan 0.000 0.454 47 D N 0.387 120.653 120.400 -0.223 0.000 2.103 47 D HA -0.126 4.501 4.640 -0.023 0.000 0.190 47 D C 1.757 177.906 176.300 -0.251 0.000 0.997 47 D CA 1.285 55.076 54.000 -0.348 0.000 0.833 47 D CB -0.557 39.891 40.800 -0.587 0.000 0.961 47 D HN 0.431 nan 8.370 nan 0.000 0.447 48 Y N 1.191 121.292 120.300 -0.332 0.000 2.128 48 Y HA -0.140 4.397 4.550 -0.022 0.000 0.284 48 Y C 2.242 178.140 175.900 -0.003 0.000 1.154 48 Y CA 1.343 59.431 58.100 -0.020 0.000 1.149 48 Y CB -0.553 37.978 38.460 0.120 0.000 0.976 48 Y HN -0.048 nan 8.280 nan 0.000 0.505 49 L N -0.213 120.870 121.223 -0.233 0.000 2.109 49 L HA -0.131 4.196 4.340 -0.023 0.000 0.207 49 L C 1.911 178.677 176.870 -0.173 0.000 1.086 49 L CA 1.152 55.831 54.840 -0.269 0.000 0.760 49 L CB -0.337 41.637 42.059 -0.142 0.000 0.910 49 L HN 0.030 nan 8.230 nan 0.000 0.437 50 K N -0.100 120.213 120.400 -0.145 0.000 2.374 50 K HA 0.052 4.358 4.320 -0.023 0.000 0.196 50 K C 0.260 176.790 176.600 -0.116 0.000 1.023 50 K CA -0.053 56.166 56.287 -0.113 0.000 1.103 50 K CB -0.229 32.209 32.500 -0.104 0.000 0.848 50 K HN 0.142 nan 8.250 nan 0.000 0.528 51 N N 1.216 119.840 118.700 -0.126 0.000 2.756 51 N HA -0.158 4.569 4.740 -0.023 0.000 0.248 51 N C 0.202 175.663 175.510 -0.083 0.000 1.062 51 N CA 1.001 54.007 53.050 -0.074 0.000 0.696 51 N CB -1.607 36.840 38.487 -0.066 0.000 0.946 51 N HN 0.105 nan 8.380 nan 0.000 0.548 52 T N -0.404 114.040 114.554 -0.183 0.000 2.614 52 T HA -0.154 4.182 4.350 -0.023 0.000 0.263 52 T C 0.417 174.946 174.700 -0.285 0.000 1.055 52 T CA 1.721 63.606 62.100 -0.358 0.000 1.162 52 T CB -0.269 68.171 68.868 -0.713 0.000 0.863 52 T HN 0.401 nan 8.240 nan 0.000 0.414 53 Y N 2.518 122.894 120.300 0.127 0.000 2.691 53 Y HA 0.437 4.973 4.550 -0.023 0.000 0.338 53 Y C 0.731 176.732 175.900 0.169 0.000 1.148 53 Y CA -1.040 57.160 58.100 0.168 0.000 1.430 53 Y CB -0.431 38.180 38.460 0.252 0.000 1.303 53 Y HN 0.017 nan 8.280 nan 0.000 0.499 54 R N 1.652 122.280 120.500 0.214 0.000 2.738 54 R HA 0.341 4.668 4.340 -0.023 0.000 0.268 54 R C -1.092 175.318 176.300 0.183 0.000 1.062 54 R CA -0.481 55.715 56.100 0.159 0.000 1.158 54 R CB 0.422 30.780 30.300 0.096 0.000 1.046 54 R HN 0.563 nan 8.270 nan 0.000 0.493 55 L N 2.638 123.958 121.223 0.161 0.000 2.322 55 L HA 0.379 4.705 4.340 -0.023 0.000 0.281 55 L C -0.753 176.189 176.870 0.121 0.000 1.014 55 L CA -0.079 54.861 54.840 0.167 0.000 0.815 55 L CB 1.660 43.837 42.059 0.196 0.000 1.247 55 L HN 0.505 nan 8.230 nan 0.000 0.421 56 K N 3.844 124.307 120.400 0.106 0.000 2.183 56 K HA 0.597 4.903 4.320 -0.023 0.000 0.274 56 K C -0.949 175.644 176.600 -0.011 0.000 1.009 56 K CA -0.441 55.878 56.287 0.053 0.000 0.888 56 K CB 1.172 33.701 32.500 0.048 0.000 1.078 56 K HN 0.329 nan 8.250 nan 0.000 0.459 57 L N 1.870 123.040 121.223 -0.088 0.000 2.397 57 L HA 0.418 4.744 4.340 -0.023 0.000 0.266 57 L C -0.623 175.930 176.870 -0.529 0.000 1.040 57 L CA -0.592 54.057 54.840 -0.318 0.000 0.800 57 L CB 0.312 42.336 42.059 -0.059 0.000 1.324 57 L HN 0.485 nan 8.230 nan 0.000 0.469 58 Y N -0.106 119.610 120.300 -0.973 0.000 2.592 58 Y HA 0.314 4.850 4.550 -0.023 0.000 0.354 58 Y C -0.089 175.620 175.900 -0.318 0.000 1.063 58 Y CA -0.311 57.353 58.100 -0.726 0.000 1.205 58 Y CB 1.335 39.241 38.460 -0.924 0.000 1.106 58 Y HN 0.462 nan 8.280 nan 0.000 0.649 59 S N 5.255 120.967 115.700 0.020 0.000 2.701 59 S HA 0.349 4.805 4.470 -0.023 0.000 0.317 59 S C -0.456 174.232 174.600 0.147 0.000 1.149 59 S CA -0.538 57.724 58.200 0.103 0.000 1.052 59 S CB -1.083 62.176 63.200 0.099 0.000 1.257 59 S HN 0.560 nan 8.310 nan 0.000 0.532 60 L N 3.231 124.450 121.223 -0.007 0.000 2.352 60 L HA 0.861 5.187 4.340 -0.023 0.000 0.269 60 L C -0.363 176.464 176.870 -0.071 0.000 1.034 60 L CA -0.751 54.062 54.840 -0.046 0.000 0.806 60 L CB 0.974 42.790 42.059 -0.404 0.000 1.244 60 L HN 0.245 nan 8.230 nan 0.000 0.447 61 R N 0.971 121.459 120.500 -0.021 0.000 2.483 61 R HA 0.420 4.746 4.340 -0.023 0.000 0.303 61 R C -1.631 174.699 176.300 0.049 0.000 0.987 61 R CA -0.198 55.917 56.100 0.024 0.000 0.881 61 R CB 0.996 31.342 30.300 0.077 0.000 1.177 61 R HN 0.671 nan 8.270 nan 0.000 0.451 62 W N 4.168 125.572 121.300 0.173 0.000 2.170 62 W HA 0.113 4.759 4.660 -0.023 0.000 0.342 62 W C 1.440 178.028 176.519 0.115 0.000 1.294 62 W CA -0.243 57.208 57.345 0.177 0.000 1.246 62 W CB 0.444 30.001 29.460 0.161 0.000 1.156 62 W HN 0.647 nan 8.180 nan 0.000 0.572 63 I N -1.335 119.455 120.570 0.365 0.000 4.530 63 I HA 0.204 4.360 4.170 -0.023 0.000 0.318 63 I C 0.889 177.082 176.117 0.127 0.000 1.257 63 I CA -0.037 61.366 61.300 0.171 0.000 1.301 63 I CB 0.065 38.093 38.000 0.047 0.000 1.297 63 I HN 0.318 nan 8.210 nan 0.000 0.451 64 S N 0.198 115.988 115.700 0.151 0.000 3.379 64 S HA 0.379 4.835 4.470 -0.023 0.000 0.273 64 S C 0.325 174.909 174.600 -0.026 0.000 1.027 64 S CA 0.096 58.309 58.200 0.022 0.000 1.098 64 S CB 1.362 64.531 63.200 -0.051 0.000 1.317 64 S HN 0.107 nan 8.310 nan 0.000 0.715 65 D N -0.584 119.647 120.400 -0.281 0.000 2.366 65 D HA 0.178 4.804 4.640 -0.023 0.000 0.205 65 D C 0.776 177.045 176.300 -0.050 0.000 1.022 65 D CA 0.650 54.490 54.000 -0.267 0.000 0.868 65 D CB 0.061 40.698 40.800 -0.270 0.000 0.953 65 D HN 0.628 nan 8.370 nan 0.000 0.514 66 H N -1.037 118.210 119.070 0.294 0.000 2.923 66 H HA 0.436 4.978 4.556 -0.023 0.000 0.268 66 H C -0.277 175.248 175.328 0.329 0.000 1.148 66 H CA -0.121 56.135 56.048 0.346 0.000 1.146 66 H CB 0.625 30.566 29.762 0.299 0.000 1.607 66 H HN 0.106 nan 8.280 nan 0.000 0.566 67 E N 0.979 121.457 120.200 0.464 0.000 2.314 67 E HA 0.430 4.767 4.350 -0.023 0.000 0.272 67 E C -1.326 175.542 176.600 0.446 0.000 0.884 67 E CA -1.017 55.589 56.400 0.344 0.000 0.753 67 E CB 2.976 32.775 29.700 0.164 0.000 1.213 67 E HN 0.239 nan 8.360 nan 0.000 0.432 68 Y N -0.247 120.117 120.300 0.107 0.000 2.638 68 Y HA 0.731 5.267 4.550 -0.023 0.000 0.339 68 Y C -1.624 174.285 175.900 0.014 0.000 1.084 68 Y CA -1.436 56.590 58.100 -0.123 0.000 1.068 68 Y CB 1.129 39.108 38.460 -0.801 0.000 1.294 68 Y HN 0.347 nan 8.280 nan 0.000 0.480 69 L N 2.826 124.185 121.223 0.226 0.000 2.322 69 L HA 0.508 4.834 4.340 -0.023 0.000 0.281 69 L C -1.190 175.920 176.870 0.401 0.000 1.014 69 L CA -0.731 54.252 54.840 0.238 0.000 0.815 69 L CB 1.743 43.881 42.059 0.132 0.000 1.247 69 L HN 0.809 nan 8.230 nan 0.000 0.421 70 Y N 2.047 122.511 120.300 0.273 0.000 2.602 70 Y HA 0.504 5.040 4.550 -0.023 0.000 0.342 70 Y C -0.844 175.137 175.900 0.135 0.000 1.029 70 Y CA -1.257 56.914 58.100 0.118 0.000 1.080 70 Y CB 1.937 40.359 38.460 -0.063 0.000 1.284 70 Y HN 0.465 nan 8.280 nan 0.000 0.485 71 K N 2.178 122.150 120.400 -0.714 0.000 2.185 71 K HA 0.452 4.758 4.320 -0.023 0.000 0.269 71 K C -0.782 175.528 176.600 -0.484 0.000 0.987 71 K CA -0.581 55.418 56.287 -0.479 0.000 0.865 71 K CB 2.113 34.380 32.500 -0.389 0.000 1.090 71 K HN 0.686 nan 8.250 nan 0.000 0.450 72 Q N 0.860 120.567 119.800 -0.155 0.000 2.991 72 Q HA 0.165 4.491 4.340 -0.023 0.000 0.226 72 Q C 0.293 176.261 176.000 -0.054 0.000 1.132 72 Q CA -0.560 55.217 55.803 -0.043 0.000 0.378 72 Q CB 0.055 28.832 28.738 0.066 0.000 5.333 72 Q HN 0.785 nan 8.270 nan 0.000 0.348 73 E N 0.826 121.009 120.200 -0.028 0.000 2.381 73 E HA -0.148 4.188 4.350 -0.023 0.000 0.198 73 E C -0.552 176.017 176.600 -0.052 0.000 1.204 73 E CA 0.150 56.530 56.400 -0.033 0.000 0.998 73 E CB -0.201 29.484 29.700 -0.025 0.000 1.080 73 E HN 0.380 nan 8.360 nan 0.000 0.481 74 N N -0.651 118.005 118.700 -0.074 0.000 2.896 74 N HA -0.191 4.535 4.740 -0.023 0.000 0.198 74 N C -0.585 174.870 175.510 -0.090 0.000 1.061 74 N CA 1.122 54.121 53.050 -0.084 0.000 1.096 74 N CB -1.457 36.992 38.487 -0.064 0.000 0.963 74 N HN 0.240 nan 8.380 nan 0.000 0.570 75 N N 1.709 120.362 118.700 -0.078 0.000 2.357 75 N HA 0.165 4.892 4.740 -0.023 0.000 0.257 75 N C 0.057 175.530 175.510 -0.061 0.000 1.250 75 N CA 0.509 53.512 53.050 -0.078 0.000 0.862 75 N CB 0.424 38.871 38.487 -0.068 0.000 1.066 75 N HN 0.332 nan 8.380 nan 0.000 0.468 76 I N 2.749 123.290 120.570 -0.049 0.000 2.304 76 I HA 0.211 4.367 4.170 -0.023 0.000 0.291 76 I C -0.571 175.620 176.117 0.124 0.000 1.018 76 I CA -0.534 60.784 61.300 0.031 0.000 1.260 76 I CB 0.472 38.482 38.000 0.016 0.000 1.390 76 I HN 0.219 nan 8.210 nan 0.000 0.475 77 L N 7.117 128.416 121.223 0.127 0.000 2.342 77 L HA 0.545 4.871 4.340 -0.023 0.000 0.271 77 L C -0.253 176.647 176.870 0.050 0.000 1.008 77 L CA -0.708 54.158 54.840 0.043 0.000 0.818 77 L CB 1.851 43.821 42.059 -0.150 0.000 1.296 77 L HN 0.260 nan 8.230 nan 0.000 0.427 78 V N 2.614 122.495 119.914 -0.055 0.000 2.481 78 V HA 0.520 4.626 4.120 -0.023 0.000 0.286 78 V C -0.897 175.022 176.094 -0.291 0.000 1.042 78 V CA -0.166 62.072 62.300 -0.103 0.000 0.928 78 V CB 1.011 32.775 31.823 -0.098 0.000 0.986 78 V HN 0.486 nan 8.190 nan 0.000 0.462 79 F N 4.916 124.635 119.950 -0.386 0.000 2.480 79 F HA 0.487 5.000 4.527 -0.023 0.000 0.329 79 F C 0.502 176.086 175.800 -0.359 0.000 1.091 79 F CA -0.604 57.122 58.000 -0.457 0.000 0.972 79 F CB 1.465 39.941 39.000 -0.873 0.000 1.150 79 F HN 0.440 nan 8.300 nan 0.000 0.467 80 N N 1.626 120.326 118.700 -0.001 0.000 2.422 80 N HA 0.275 5.001 4.740 -0.023 0.000 0.264 80 N C 0.528 176.058 175.510 0.034 0.000 1.063 80 N CA 0.141 53.230 53.050 0.064 0.000 0.959 80 N CB 1.806 40.386 38.487 0.156 0.000 1.087 80 N HN 0.815 nan 8.380 nan 0.000 0.483 81 A N 3.746 126.553 122.820 -0.022 0.000 1.930 81 A HA -0.134 4.172 4.320 -0.023 0.000 0.217 81 A C 1.889 179.244 177.584 -0.381 0.000 1.175 81 A CA 1.247 53.178 52.037 -0.177 0.000 0.627 81 A CB -0.357 18.420 19.000 -0.371 0.000 0.815 81 A HN 0.859 nan 8.150 nan 0.000 0.443 82 E N -1.725 118.225 120.200 -0.418 0.000 2.051 82 E HA -0.196 4.140 4.350 -0.023 0.000 0.192 82 E C 1.551 177.886 176.600 -0.441 0.000 0.991 82 E CA 1.710 57.857 56.400 -0.421 0.000 0.799 82 E CB -0.108 29.307 29.700 -0.476 0.000 0.748 82 E HN 0.770 nan 8.360 nan 0.000 0.449 83 Y N -2.014 118.276 120.300 -0.016 0.000 2.569 83 Y HA 0.321 4.857 4.550 -0.023 0.000 0.278 83 Y C 1.682 177.588 175.900 0.010 0.000 1.130 83 Y CA 0.439 58.539 58.100 0.000 0.000 1.280 83 Y CB 0.514 38.975 38.460 0.002 0.000 1.379 83 Y HN 0.182 nan 8.280 nan 0.000 0.508 84 G N 0.760 109.680 108.800 0.200 0.000 2.148 84 G HA2 -0.294 3.652 3.960 -0.023 0.000 0.203 84 G HA3 -0.294 3.652 3.960 -0.023 0.000 0.203 84 G C 0.530 175.483 174.900 0.087 0.000 0.993 84 G CA 0.216 45.412 45.100 0.159 0.000 0.661 84 G HN 0.458 nan 8.290 nan 0.000 0.518 85 N N 1.457 120.201 118.700 0.074 0.000 2.668 85 N HA 0.011 4.738 4.740 -0.023 0.000 0.201 85 N C 0.956 176.419 175.510 -0.078 0.000 1.408 85 N CA 0.986 54.028 53.050 -0.015 0.000 0.905 85 N CB -0.765 37.688 38.487 -0.057 0.000 1.093 85 N HN 1.215 nan 8.380 nan 0.000 0.453 86 S N -0.017 115.601 115.700 -0.137 0.000 3.566 86 S HA -0.056 4.400 4.470 -0.023 0.000 0.426 86 S C 0.347 174.789 174.600 -0.264 0.000 1.154 86 S CA -0.087 57.919 58.200 -0.323 0.000 0.946 86 S CB -0.399 62.333 63.200 -0.781 0.000 0.666 86 S HN 0.544 nan 8.310 nan 0.000 0.494 87 S N 1.938 117.513 115.700 -0.208 0.000 2.664 87 S HA 0.656 5.112 4.470 -0.023 0.000 0.304 87 S C -0.223 174.299 174.600 -0.130 0.000 1.099 87 S CA -1.143 56.973 58.200 -0.140 0.000 1.003 87 S CB 1.261 64.415 63.200 -0.077 0.000 1.092 87 S HN 0.725 nan 8.310 nan 0.000 0.525 88 V N 2.843 122.701 119.914 -0.093 0.000 2.479 88 V HA 0.126 4.232 4.120 -0.023 0.000 0.281 88 V C 0.717 176.811 176.094 -0.001 0.000 1.031 88 V CA -0.068 62.194 62.300 -0.064 0.000 1.038 88 V CB -0.326 31.448 31.823 -0.082 0.000 0.981 88 V HN 0.946 nan 8.190 nan 0.000 0.478 89 F N 5.602 125.493 119.950 -0.099 0.000 2.219 89 F HA 0.283 4.796 4.527 -0.023 0.000 0.294 89 F C 0.735 176.496 175.800 -0.065 0.000 1.086 89 F CA 0.917 58.877 58.000 -0.066 0.000 1.330 89 F CB 0.492 39.470 39.000 -0.037 0.000 1.047 89 F HN 0.388 nan 8.300 nan 0.000 0.495 90 L N 1.920 122.934 121.223 -0.350 0.000 2.564 90 L HA 0.226 4.552 4.340 -0.023 0.000 0.259 90 L C -0.814 175.902 176.870 -0.257 0.000 1.101 90 L CA -0.520 54.039 54.840 -0.468 0.000 0.900 90 L CB 0.620 42.284 42.059 -0.658 0.000 1.110 90 L HN 0.286 nan 8.230 nan 0.000 0.468 91 E N 0.887 120.950 120.200 -0.228 0.000 2.415 91 E HA -0.019 4.317 4.350 -0.023 0.000 0.262 91 E C -0.215 176.267 176.600 -0.198 0.000 1.038 91 E CA 0.157 56.451 56.400 -0.176 0.000 0.921 91 E CB 0.386 29.992 29.700 -0.156 0.000 0.950 91 E HN 0.587 nan 8.360 nan 0.000 0.438 92 N N 1.340 119.952 118.700 -0.146 0.000 3.124 92 N HA 0.021 4.747 4.740 -0.023 0.000 0.284 92 N C -0.526 174.907 175.510 -0.129 0.000 1.209 92 N CA 0.108 53.080 53.050 -0.130 0.000 1.149 92 N CB 0.121 38.553 38.487 -0.091 0.000 1.434 92 N HN 0.578 nan 8.380 nan 0.000 0.529 93 S N -1.575 114.014 115.700 -0.185 0.000 2.760 93 S HA 0.007 4.463 4.470 -0.023 0.000 0.263 93 S C 1.109 175.555 174.600 -0.256 0.000 1.007 93 S CA -0.422 57.676 58.200 -0.169 0.000 1.358 93 S CB 0.114 63.231 63.200 -0.139 0.000 1.228 93 S HN 0.240 nan 8.310 nan 0.000 0.684 94 T N 1.123 115.413 114.554 -0.439 0.000 2.985 94 T HA 0.307 4.643 4.350 -0.023 0.000 0.266 94 T C -0.268 173.893 174.700 -0.898 0.000 1.076 94 T CA 0.681 62.320 62.100 -0.768 0.000 1.135 94 T CB -0.396 67.749 68.868 -1.204 0.000 0.890 94 T HN 0.436 nan 8.240 nan 0.000 0.480 95 F N 2.732 122.533 119.950 -0.249 0.000 2.453 95 F HA 0.392 4.905 4.527 -0.023 0.000 0.358 95 F C 0.456 176.246 175.800 -0.017 0.000 1.129 95 F CA -1.761 56.099 58.000 -0.234 0.000 1.200 95 F CB 0.724 39.442 39.000 -0.471 0.000 1.431 95 F HN 0.093 nan 8.300 nan 0.000 0.503 96 D N -0.281 120.226 120.400 0.179 0.000 2.464 96 D HA -0.014 4.612 4.640 -0.023 0.000 0.272 96 D C 1.122 177.476 176.300 0.090 0.000 1.224 96 D CA 0.116 54.197 54.000 0.135 0.000 1.118 96 D CB -0.020 40.801 40.800 0.035 0.000 1.710 96 D HN 0.300 nan 8.370 nan 0.000 0.479 97 E N 0.808 121.040 120.200 0.053 0.000 2.204 97 E HA -0.087 4.249 4.350 -0.023 0.000 0.195 97 E C 1.833 178.435 176.600 0.003 0.000 0.990 97 E CA 0.879 57.282 56.400 0.005 0.000 0.821 97 E CB -0.513 29.186 29.700 -0.002 0.000 0.750 97 E HN 0.352 nan 8.360 nan 0.000 0.477 98 F N 1.001 120.913 119.950 -0.064 0.000 2.225 98 F HA -0.149 4.364 4.527 -0.023 0.000 0.302 98 F C 1.303 176.960 175.800 -0.238 0.000 1.068 98 F CA 1.309 59.262 58.000 -0.078 0.000 1.327 98 F CB -0.288 38.735 39.000 0.039 0.000 1.043 98 F HN 0.012 nan 8.300 nan 0.000 0.506 99 G N 1.645 110.076 108.800 -0.614 0.000 2.353 99 G HA2 -0.225 3.721 3.960 -0.023 0.000 0.294 99 G HA3 -0.225 3.721 3.960 -0.023 0.000 0.294 99 G C -0.353 173.827 174.900 -1.199 0.000 1.077 99 G CA 0.363 45.030 45.100 -0.720 0.000 1.098 99 G HN 0.758 nan 8.290 nan 0.000 0.511 100 H N -1.129 117.508 119.070 -0.721 0.000 3.393 100 H HA 0.623 5.165 4.556 -0.023 0.000 0.302 100 H C -0.482 174.799 175.328 -0.078 0.000 1.650 100 H CA -0.261 55.524 56.048 -0.437 0.000 1.208 100 H CB 1.068 30.381 29.762 -0.749 0.000 1.770 100 H HN 0.164 nan 8.280 nan 0.000 0.662 101 S N 1.334 117.148 115.700 0.190 0.000 2.532 101 S HA 0.301 4.758 4.470 -0.023 0.000 0.318 101 S C 0.122 174.835 174.600 0.188 0.000 1.083 101 S CA -0.569 57.728 58.200 0.162 0.000 1.131 101 S CB -0.355 62.916 63.200 0.118 0.000 0.973 101 S HN 0.237 nan 8.310 nan 0.000 0.468 102 I N 4.007 124.675 120.570 0.163 0.000 2.593 102 I HA 0.031 4.187 4.170 -0.023 0.000 0.304 102 I C 1.573 177.723 176.117 0.054 0.000 1.176 102 I CA -0.022 61.331 61.300 0.088 0.000 1.533 102 I CB -0.598 37.390 38.000 -0.019 0.000 1.492 102 I HN 0.545 nan 8.210 nan 0.000 0.704 103 N N 3.243 121.971 118.700 0.047 0.000 2.106 103 N HA -0.135 4.592 4.740 -0.023 0.000 0.188 103 N C 0.381 175.864 175.510 -0.045 0.000 1.029 103 N CA 1.491 54.520 53.050 -0.035 0.000 0.848 103 N CB 0.310 38.742 38.487 -0.091 0.000 1.007 103 N HN 0.655 nan 8.380 nan 0.000 0.423 104 D N -3.192 117.209 120.400 0.002 0.000 2.643 104 D HA 0.277 4.903 4.640 -0.023 0.000 0.283 104 D C -1.626 174.773 176.300 0.165 0.000 1.242 104 D CA -0.634 53.399 54.000 0.055 0.000 0.863 104 D CB 0.816 41.590 40.800 -0.044 0.000 1.382 104 D HN 0.132 nan 8.370 nan 0.000 0.444 105 Y N -1.403 118.919 120.300 0.036 0.000 2.689 105 Y HA 0.779 5.315 4.550 -0.023 0.000 0.333 105 Y C -1.415 174.578 175.900 0.156 0.000 1.190 105 Y CA -1.081 57.063 58.100 0.074 0.000 1.063 105 Y CB 1.472 39.948 38.460 0.027 0.000 1.294 105 Y HN 0.237 nan 8.280 nan 0.000 0.466 106 S N 1.346 117.186 115.700 0.234 0.000 2.626 106 S HA 0.626 5.082 4.470 -0.023 0.000 0.275 106 S C -1.677 173.199 174.600 0.460 0.000 1.175 106 S CA -0.508 57.839 58.200 0.245 0.000 0.982 106 S CB 0.309 63.708 63.200 0.330 0.000 1.093 106 S HN 0.672 nan 8.310 nan 0.000 0.472 107 I N 4.141 124.882 120.570 0.286 0.000 2.581 107 I HA 0.306 4.463 4.170 -0.023 0.000 0.288 107 I C 1.005 176.903 176.117 -0.366 0.000 1.047 107 I CA -0.038 61.335 61.300 0.123 0.000 1.374 107 I CB 1.497 39.572 38.000 0.125 0.000 1.423 107 I HN 0.737 nan 8.210 nan 0.000 0.549 108 S N 5.086 120.277 115.700 -0.848 0.000 2.560 108 S HA 0.174 4.631 4.470 -0.023 0.000 0.284 108 S C -1.885 172.400 174.600 -0.525 0.000 1.327 108 S CA -0.850 56.525 58.200 -1.375 0.000 1.055 108 S CB 0.467 62.953 63.200 -1.190 0.000 0.868 108 S HN 0.452 nan 8.310 nan 0.000 0.506 109 P HA -0.116 nan 4.420 nan 0.000 0.218 109 P C 0.947 178.188 177.300 -0.099 0.000 1.148 109 P CA 1.339 64.348 63.100 -0.153 0.000 0.822 109 P CB -0.115 31.527 31.700 -0.096 0.000 0.784 110 D N -1.351 118.995 120.400 -0.090 0.000 2.312 110 D HA -0.005 4.621 4.640 -0.023 0.000 0.211 110 D C 1.465 177.742 176.300 -0.039 0.000 0.964 110 D CA 1.137 55.121 54.000 -0.027 0.000 0.877 110 D CB -1.103 39.726 40.800 0.049 0.000 0.924 110 D HN 0.233 nan 8.370 nan 0.000 0.515 111 G N 0.060 108.814 108.800 -0.076 0.000 2.141 111 G HA2 -0.338 3.608 3.960 -0.023 0.000 0.242 111 G HA3 -0.338 3.608 3.960 -0.023 0.000 0.242 111 G C 0.883 175.747 174.900 -0.060 0.000 0.982 111 G CA 0.434 45.509 45.100 -0.042 0.000 0.662 111 G HN 0.454 nan 8.290 nan 0.000 0.527 112 Q N -1.414 118.279 119.800 -0.178 0.000 2.297 112 Q HA 0.386 4.712 4.340 -0.023 0.000 0.203 112 Q C 0.170 175.750 176.000 -0.700 0.000 0.931 112 Q CA 0.682 56.192 55.803 -0.489 0.000 0.885 112 Q CB 0.450 28.747 28.738 -0.734 0.000 0.991 112 Q HN 0.547 nan 8.270 nan 0.000 0.498 113 F N 0.104 119.995 119.950 -0.098 0.000 2.540 113 F HA 0.449 4.962 4.527 -0.023 0.000 0.317 113 F C -0.517 175.343 175.800 0.100 0.000 1.104 113 F CA -1.207 56.795 58.000 0.003 0.000 0.913 113 F CB 1.706 40.735 39.000 0.048 0.000 1.170 113 F HN -0.137 nan 8.300 nan 0.000 0.450 114 I N 4.558 125.406 120.570 0.463 0.000 2.362 114 I HA 0.462 4.618 4.170 -0.023 0.000 0.289 114 I C -1.443 174.982 176.117 0.513 0.000 0.994 114 I CA -0.989 60.599 61.300 0.481 0.000 1.158 114 I CB 0.953 39.210 38.000 0.428 0.000 1.315 114 I HN 0.515 nan 8.210 nan 0.000 0.451 115 L N 8.438 130.020 121.223 0.598 0.000 2.349 115 L HA 0.440 4.766 4.340 -0.023 0.000 0.275 115 L C -1.085 175.962 176.870 0.296 0.000 1.115 115 L CA 0.165 55.267 54.840 0.437 0.000 0.820 115 L CB 0.955 43.248 42.059 0.391 0.000 1.135 115 L HN 0.546 nan 8.230 nan 0.000 0.445 116 L N 4.936 126.282 121.223 0.204 0.000 2.325 116 L HA 0.488 4.814 4.340 -0.023 0.000 0.281 116 L C -0.216 176.731 176.870 0.127 0.000 1.004 116 L CA -0.437 54.450 54.840 0.080 0.000 0.823 116 L CB 1.681 43.625 42.059 -0.192 0.000 1.236 116 L HN 0.600 nan 8.230 nan 0.000 0.415 117 E N 3.559 123.781 120.200 0.036 0.000 2.174 117 E HA 0.457 4.793 4.350 -0.023 0.000 0.282 117 E C -1.660 174.935 176.600 -0.007 0.000 0.992 117 E CA -0.488 55.772 56.400 -0.234 0.000 0.803 117 E CB 1.136 30.742 29.700 -0.157 0.000 1.090 117 E HN 0.436 nan 8.360 nan 0.000 0.396 118 Y N 1.404 121.534 120.300 -0.283 0.000 2.670 118 Y HA 0.406 4.942 4.550 -0.023 0.000 0.334 118 Y C -0.478 175.333 175.900 -0.149 0.000 1.185 118 Y CA -1.621 56.397 58.100 -0.136 0.000 1.053 118 Y CB 0.594 39.020 38.460 -0.058 0.000 1.298 118 Y HN 0.485 nan 8.280 nan 0.000 0.459 119 N N 0.079 118.782 118.700 0.006 0.000 2.738 119 N HA -0.290 4.436 4.740 -0.023 0.000 0.249 119 N C -1.196 174.288 175.510 -0.044 0.000 1.047 119 N CA 0.993 54.005 53.050 -0.064 0.000 0.707 119 N CB -1.523 36.841 38.487 -0.206 0.000 0.937 119 N HN 0.869 nan 8.380 nan 0.000 0.545 120 Y N 0.078 120.320 120.300 -0.097 0.000 2.496 120 Y HA 0.352 4.888 4.550 -0.023 0.000 0.334 120 Y C -0.130 175.742 175.900 -0.046 0.000 1.080 120 Y CA -0.177 57.866 58.100 -0.095 0.000 1.355 120 Y CB 0.724 39.084 38.460 -0.167 0.000 1.193 120 Y HN 0.017 nan 8.280 nan 0.000 0.523 121 V N 8.187 127.767 119.914 -0.558 0.000 2.409 121 V HA 0.217 4.323 4.120 -0.023 0.000 0.290 121 V C -0.327 175.408 176.094 -0.598 0.000 1.017 121 V CA -1.356 60.649 62.300 -0.493 0.000 0.841 121 V CB 1.389 33.075 31.823 -0.229 0.000 1.003 121 V HN 0.730 nan 8.190 nan 0.000 0.426 122 K N 3.932 123.951 120.400 -0.635 0.000 2.350 122 K HA 0.281 4.587 4.320 -0.023 0.000 0.279 122 K C 0.416 176.836 176.600 -0.300 0.000 1.027 122 K CA -0.065 55.989 56.287 -0.389 0.000 0.969 122 K CB 0.968 33.376 32.500 -0.154 0.000 0.954 122 K HN 0.723 nan 8.250 nan 0.000 0.474 123 Q N 2.632 122.231 119.800 -0.335 0.000 2.674 123 Q HA 0.110 4.436 4.340 -0.023 0.000 0.357 123 Q C 0.364 176.083 176.000 -0.469 0.000 1.089 123 Q CA 0.380 55.763 55.803 -0.701 0.000 0.577 123 Q CB -0.058 28.102 28.738 -0.963 0.000 4.433 123 Q HN 0.659 nan 8.270 nan 0.000 0.364 124 W N 0.112 121.411 121.300 -0.001 0.000 1.941 124 W HA 0.336 4.982 4.660 -0.023 0.000 0.629 124 W C 1.934 178.439 176.519 -0.024 0.000 1.517 124 W CA -0.817 56.550 57.345 0.037 0.000 1.502 124 W CB -0.163 29.285 29.460 -0.020 0.000 3.266 124 W HN 0.231 nan 8.180 nan 0.000 0.765 125 R N -0.541 120.042 120.500 0.139 0.000 2.091 125 R HA -0.166 4.160 4.340 -0.023 0.000 0.238 125 R C 1.756 177.889 176.300 -0.277 0.000 1.136 125 R CA 1.930 57.928 56.100 -0.170 0.000 0.959 125 R CB -0.388 29.626 30.300 -0.477 0.000 0.856 125 R HN 0.514 nan 8.270 nan 0.000 0.437 126 H N -1.541 117.626 119.070 0.162 0.000 2.521 126 H HA 0.136 4.679 4.556 -0.023 0.000 0.267 126 H C 0.688 176.147 175.328 0.218 0.000 0.963 126 H CA 0.460 56.631 56.048 0.205 0.000 1.175 126 H CB -0.187 29.666 29.762 0.153 0.000 1.450 126 H HN 0.109 nan 8.280 nan 0.000 0.472 127 S N 1.720 117.457 115.700 0.060 0.000 2.560 127 S HA 0.280 4.737 4.470 -0.023 0.000 0.284 127 S C -0.194 174.248 174.600 -0.263 0.000 1.327 127 S CA -0.364 57.526 58.200 -0.517 0.000 1.055 127 S CB 0.201 62.556 63.200 -1.408 0.000 0.868 127 S HN 0.472 nan 8.310 nan 0.000 0.506 128 Y N -1.732 118.419 120.300 -0.248 0.000 2.788 128 Y HA 0.783 5.319 4.550 -0.023 0.000 0.335 128 Y C -0.792 175.098 175.900 -0.017 0.000 1.287 128 Y CA -1.203 56.789 58.100 -0.179 0.000 1.068 128 Y CB 0.900 39.307 38.460 -0.089 0.000 1.340 128 Y HN 0.601 nan 8.280 nan 0.000 0.449 129 T N 1.005 115.666 114.554 0.178 0.000 2.912 129 T HA 0.885 5.221 4.350 -0.023 0.000 0.299 129 T C -1.381 173.440 174.700 0.201 0.000 1.052 129 T CA -0.002 62.194 62.100 0.160 0.000 0.996 129 T CB 1.359 70.250 68.868 0.039 0.000 1.070 129 T HN 1.260 nan 8.240 nan 0.000 0.465 130 A N 1.863 124.802 122.820 0.197 0.000 2.612 130 A HA 0.794 5.100 4.320 -0.023 0.000 0.293 130 A C -0.689 176.769 177.584 -0.210 0.000 1.075 130 A CA -0.750 51.262 52.037 -0.042 0.000 0.680 130 A CB 1.435 20.377 19.000 -0.096 0.000 1.279 130 A HN 0.668 nan 8.150 nan 0.000 0.411 131 S N -0.217 115.119 115.700 -0.607 0.000 2.610 131 S HA 0.702 5.158 4.470 -0.023 0.000 0.273 131 S C -1.354 172.637 174.600 -1.014 0.000 1.274 131 S CA 0.094 57.824 58.200 -0.783 0.000 1.023 131 S CB 0.335 62.798 63.200 -1.228 0.000 0.962 131 S HN 0.436 nan 8.310 nan 0.000 0.523 132 Y N 0.395 120.462 120.300 -0.389 0.000 2.386 132 Y HA 0.412 4.948 4.550 -0.023 0.000 0.334 132 Y C -0.676 175.271 175.900 0.079 0.000 1.002 132 Y CA -1.035 56.999 58.100 -0.110 0.000 1.068 132 Y CB 1.617 39.966 38.460 -0.185 0.000 1.203 132 Y HN 0.490 nan 8.280 nan 0.000 0.443 133 D N 3.135 123.764 120.400 0.381 0.000 2.362 133 D HA 0.544 5.170 4.640 -0.023 0.000 0.247 133 D C -0.639 175.786 176.300 0.210 0.000 1.050 133 D CA -0.326 53.844 54.000 0.282 0.000 0.839 133 D CB 2.004 43.008 40.800 0.340 0.000 1.283 133 D HN 0.348 nan 8.370 nan 0.000 0.477 134 I N 1.752 122.433 120.570 0.185 0.000 2.392 134 I HA 0.299 4.456 4.170 -0.023 0.000 0.295 134 I C -0.795 175.507 176.117 0.310 0.000 0.985 134 I CA -1.006 60.438 61.300 0.242 0.000 1.221 134 I CB 0.966 39.076 38.000 0.183 0.000 1.366 134 I HN 0.266 nan 8.210 nan 0.000 0.467 135 Y N 5.376 125.811 120.300 0.225 0.000 2.364 135 Y HA 0.355 4.892 4.550 -0.023 0.000 0.340 135 Y C -0.592 175.458 175.900 0.251 0.000 0.975 135 Y CA -0.752 57.477 58.100 0.215 0.000 1.089 135 Y CB 1.308 39.893 38.460 0.209 0.000 1.192 135 Y HN 0.507 nan 8.280 nan 0.000 0.454 136 D N 5.914 126.082 120.400 -0.387 0.000 2.198 136 D HA 0.185 4.811 4.640 -0.023 0.000 0.245 136 D C 0.544 176.429 176.300 -0.692 0.000 1.079 136 D CA -0.001 53.762 54.000 -0.394 0.000 0.854 136 D CB 1.434 42.099 40.800 -0.225 0.000 1.148 136 D HN 0.844 nan 8.370 nan 0.000 0.456 137 L N 3.261 124.228 121.223 -0.426 0.000 2.049 137 L HA -0.059 4.267 4.340 -0.023 0.000 0.203 137 L C 2.075 178.787 176.870 -0.262 0.000 1.074 137 L CA 0.327 55.004 54.840 -0.272 0.000 0.749 137 L CB -0.499 41.475 42.059 -0.142 0.000 0.907 137 L HN 0.394 nan 8.230 nan 0.000 0.439 138 N N 1.088 119.619 118.700 -0.282 0.000 2.058 138 N HA -0.218 4.508 4.740 -0.023 0.000 0.191 138 N C 1.761 177.163 175.510 -0.180 0.000 1.037 138 N CA 1.307 54.231 53.050 -0.210 0.000 0.848 138 N CB -0.284 38.071 38.487 -0.220 0.000 1.021 138 N HN 0.322 nan 8.380 nan 0.000 0.422 139 K N 1.018 121.298 120.400 -0.200 0.000 2.555 139 K HA -0.035 4.271 4.320 -0.023 0.000 0.193 139 K C 0.228 176.733 176.600 -0.159 0.000 1.032 139 K CA 0.448 56.649 56.287 -0.143 0.000 1.004 139 K CB 0.313 32.753 32.500 -0.101 0.000 0.804 139 K HN 0.038 nan 8.250 nan 0.000 0.496 140 R N -1.391 118.974 120.500 -0.224 0.000 1.589 140 R HA -0.163 4.163 4.340 -0.023 0.000 0.101 140 R C 0.163 176.299 176.300 -0.274 0.000 0.919 140 R CA 1.818 57.802 56.100 -0.194 0.000 1.931 140 R CB -1.390 28.850 30.300 -0.101 0.000 0.508 140 R HN 0.372 nan 8.270 nan 0.000 0.699 141 Q N 1.044 120.704 119.800 -0.234 0.000 2.527 141 Q HA 0.698 5.024 4.340 -0.023 0.000 0.220 141 Q C 0.191 176.066 176.000 -0.209 0.000 1.014 141 Q CA -0.734 55.003 55.803 -0.110 0.000 0.978 141 Q CB 0.930 29.677 28.738 0.015 0.000 1.245 141 Q HN 0.319 nan 8.270 nan 0.000 0.513 142 L N -1.427 119.876 121.223 0.134 0.000 2.399 142 L HA 0.562 4.888 4.340 -0.023 0.000 0.265 142 L C -0.619 176.328 176.870 0.129 0.000 1.089 142 L CA -0.960 54.015 54.840 0.226 0.000 0.802 142 L CB 0.386 42.697 42.059 0.420 0.000 1.180 142 L HN 0.376 nan 8.230 nan 0.000 0.454 143 I N 1.459 122.110 120.570 0.135 0.000 2.474 143 I HA 0.201 4.357 4.170 -0.023 0.000 0.287 143 I C 1.287 177.457 176.117 0.089 0.000 1.048 143 I CA 0.458 61.814 61.300 0.094 0.000 1.383 143 I CB 1.736 39.787 38.000 0.085 0.000 1.412 143 I HN 0.915 nan 8.210 nan 0.000 0.531 144 T N 0.409 114.998 114.554 0.059 0.000 2.955 144 T HA 0.194 4.530 4.350 -0.023 0.000 0.251 144 T C 0.357 175.068 174.700 0.018 0.000 1.002 144 T CA -0.354 61.775 62.100 0.048 0.000 0.970 144 T CB -0.202 68.693 68.868 0.045 0.000 1.091 144 T HN 0.616 nan 8.240 nan 0.000 0.495 145 E N 1.684 121.888 120.200 0.006 0.000 2.248 145 E HA 0.390 4.726 4.350 -0.023 0.000 0.272 145 E C -0.823 175.755 176.600 -0.037 0.000 1.008 145 E CA -0.858 55.533 56.400 -0.015 0.000 0.856 145 E CB 0.575 30.269 29.700 -0.011 0.000 1.120 145 E HN -0.030 nan 8.360 nan 0.000 0.397 146 E N 0.900 121.065 120.200 -0.059 0.000 2.183 146 E HA -0.234 4.102 4.350 -0.023 0.000 0.196 146 E C -0.807 175.722 176.600 -0.118 0.000 1.364 146 E CA 0.732 57.077 56.400 -0.091 0.000 0.700 146 E CB -1.380 28.273 29.700 -0.079 0.000 1.106 146 E HN 0.546 nan 8.360 nan 0.000 0.347 147 R N -0.008 120.417 120.500 -0.125 0.000 2.490 147 R HA 0.371 4.697 4.340 -0.023 0.000 0.280 147 R C 1.046 177.191 176.300 -0.258 0.000 1.077 147 R CA -0.683 55.335 56.100 -0.137 0.000 1.065 147 R CB 0.629 30.885 30.300 -0.073 0.000 1.003 147 R HN 0.169 nan 8.270 nan 0.000 0.470 148 I N 5.141 125.524 120.570 -0.312 0.000 2.741 148 I HA -0.046 4.110 4.170 -0.023 0.000 0.288 148 I C -1.708 174.157 176.117 -0.421 0.000 1.192 148 I CA -1.175 59.802 61.300 -0.538 0.000 1.426 148 I CB 0.224 37.906 38.000 -0.530 0.000 1.367 148 I HN 0.292 nan 8.210 nan 0.000 0.563 149 P HA -0.039 nan 4.420 nan 0.000 0.267 149 P C -0.522 176.633 177.300 -0.241 0.000 1.201 149 P CA 0.006 62.803 63.100 -0.504 0.000 0.775 149 P CB 0.291 31.395 31.700 -0.994 0.000 0.854 150 N N 1.870 120.479 118.700 -0.152 0.000 2.340 150 N HA -0.050 4.676 4.740 -0.023 0.000 0.236 150 N C 0.408 175.981 175.510 0.105 0.000 1.296 150 N CA 0.398 53.413 53.050 -0.059 0.000 0.896 150 N CB -0.593 37.873 38.487 -0.035 0.000 1.127 150 N HN 0.408 nan 8.380 nan 0.000 0.442 151 N N -1.883 116.877 118.700 0.099 0.000 2.747 151 N HA -0.168 4.558 4.740 -0.023 0.000 0.249 151 N C -1.020 174.670 175.510 0.300 0.000 1.107 151 N CA 0.732 53.888 53.050 0.176 0.000 0.707 151 N CB -1.356 37.241 38.487 0.184 0.000 1.054 151 N HN 0.452 nan 8.380 nan 0.000 0.555 152 T N 0.247 114.975 114.554 0.290 0.000 2.834 152 T HA 0.062 4.399 4.350 -0.023 0.000 0.298 152 T C 1.441 176.306 174.700 0.275 0.000 0.966 152 T CA -0.056 62.232 62.100 0.313 0.000 1.141 152 T CB 1.295 70.253 68.868 0.150 0.000 0.905 152 T HN 0.182 nan 8.240 nan 0.000 0.535 153 Q N 1.939 121.894 119.800 0.258 0.000 2.096 153 Q HA 0.105 4.432 4.340 -0.023 0.000 0.197 153 Q C 0.218 176.407 176.000 0.316 0.000 0.964 153 Q CA 0.788 56.764 55.803 0.287 0.000 0.838 153 Q CB 0.510 29.367 28.738 0.199 0.000 0.906 153 Q HN 0.716 nan 8.270 nan 0.000 0.444 154 W N -0.125 121.146 121.300 -0.050 0.000 3.479 154 W HA 0.468 5.114 4.660 -0.023 0.000 0.304 154 W C -2.181 174.242 176.519 -0.161 0.000 1.243 154 W CA -0.707 56.562 57.345 -0.127 0.000 1.202 154 W CB 1.298 30.631 29.460 -0.212 0.000 1.346 154 W HN -0.343 nan 8.180 nan 0.000 0.539 155 V N 3.046 122.227 119.914 -1.221 0.000 2.789 155 V HA 0.725 4.831 4.120 -0.023 0.000 0.311 155 V C -0.420 175.071 176.094 -1.005 0.000 1.073 155 V CA -0.697 61.024 62.300 -0.965 0.000 0.921 155 V CB 1.516 32.690 31.823 -1.081 0.000 1.009 155 V HN 0.504 nan 8.190 nan 0.000 0.426 156 T N 2.615 116.894 114.554 -0.458 0.000 3.041 156 T HA 0.539 4.875 4.350 -0.023 0.000 0.321 156 T C -1.532 173.155 174.700 -0.021 0.000 1.184 156 T CA -0.326 61.698 62.100 -0.127 0.000 1.050 156 T CB 0.870 69.917 68.868 0.299 0.000 1.159 156 T HN 0.546 nan 8.240 nan 0.000 0.469 157 W N 3.155 124.493 121.300 0.064 0.000 2.161 157 W HA 0.470 5.116 4.660 -0.023 0.000 0.344 157 W C 1.208 177.503 176.519 -0.373 0.000 1.262 157 W CA -0.570 56.730 57.345 -0.074 0.000 1.270 157 W CB 0.566 29.988 29.460 -0.063 0.000 1.126 157 W HN 0.794 nan 8.180 nan 0.000 0.598 158 S N 1.470 116.771 115.700 -0.665 0.000 2.569 158 S HA 0.032 4.488 4.470 -0.023 0.000 0.274 158 S C -1.808 172.525 174.600 -0.444 0.000 1.353 158 S CA -0.816 56.556 58.200 -1.379 0.000 1.023 158 S CB 0.549 62.979 63.200 -1.283 0.000 0.876 158 S HN 0.303 nan 8.310 nan 0.000 0.540 159 P HA 0.071 nan 4.420 nan 0.000 0.225 159 P C 0.385 177.646 177.300 -0.065 0.000 1.156 159 P CA 0.550 63.618 63.100 -0.054 0.000 0.787 159 P CB -0.189 31.526 31.700 0.026 0.000 0.802 160 V N -6.220 113.617 119.914 -0.129 0.000 3.074 160 V HA 0.905 5.011 4.120 -0.023 0.000 0.314 160 V C 0.615 176.615 176.094 -0.156 0.000 1.117 160 V CA -0.255 61.981 62.300 -0.107 0.000 1.014 160 V CB 0.914 32.693 31.823 -0.074 0.000 1.057 160 V HN 0.404 nan 8.190 nan 0.000 0.438 161 G N 1.703 110.435 108.800 -0.113 0.000 2.514 161 G HA2 -0.182 3.765 3.960 -0.023 0.000 0.265 161 G HA3 -0.182 3.765 3.960 -0.023 0.000 0.265 161 G C 0.298 175.156 174.900 -0.069 0.000 1.150 161 G CA 0.979 46.001 45.100 -0.131 0.000 0.959 161 G HN 2.598 nan 8.290 nan 0.000 0.556 162 H N -0.622 118.442 119.070 -0.009 0.000 3.346 162 H HA 0.350 4.893 4.556 -0.023 0.000 0.253 162 H C 0.267 175.753 175.328 0.264 0.000 1.204 162 H CA -0.003 56.106 56.048 0.101 0.000 0.996 162 H CB -0.433 29.414 29.762 0.141 0.000 2.713 162 H HN 0.539 nan 8.280 nan 0.000 0.690 163 K N 1.386 121.784 120.400 -0.004 0.000 2.319 163 K HA 0.267 4.573 4.320 -0.023 0.000 0.265 163 K C -0.427 176.237 176.600 0.105 0.000 1.000 163 K CA -0.479 55.798 56.287 -0.016 0.000 0.943 163 K CB 1.141 33.465 32.500 -0.294 0.000 0.950 163 K HN 0.005 nan 8.250 nan 0.000 0.485 164 L N 1.353 122.638 121.223 0.104 0.000 2.346 164 L HA 0.560 4.887 4.340 -0.023 0.000 0.274 164 L C -0.640 176.410 176.870 0.300 0.000 1.007 164 L CA -0.444 54.415 54.840 0.032 0.000 0.818 164 L CB 1.547 43.514 42.059 -0.153 0.000 1.284 164 L HN 0.789 nan 8.230 nan 0.000 0.424 165 A N 3.817 126.822 122.820 0.308 0.000 2.359 165 A HA 0.749 5.055 4.320 -0.023 0.000 0.303 165 A C -1.519 176.117 177.584 0.086 0.000 1.066 165 A CA -0.411 51.730 52.037 0.173 0.000 0.730 165 A CB 1.176 20.216 19.000 0.066 0.000 1.211 165 A HN 0.643 nan 8.150 nan 0.000 0.439 166 Y N -0.152 120.112 120.300 -0.061 0.000 2.581 166 Y HA 0.804 5.340 4.550 -0.023 0.000 0.345 166 Y C -1.094 174.822 175.900 0.028 0.000 1.036 166 Y CA -1.568 56.475 58.100 -0.095 0.000 1.042 166 Y CB 1.302 39.636 38.460 -0.210 0.000 1.289 166 Y HN 0.375 nan 8.280 nan 0.000 0.471 167 V N 2.209 122.223 119.914 0.166 0.000 2.459 167 V HA 0.381 4.487 4.120 -0.023 0.000 0.295 167 V C -1.415 174.885 176.094 0.343 0.000 1.029 167 V CA -0.673 61.708 62.300 0.134 0.000 0.874 167 V CB 1.347 33.176 31.823 0.009 0.000 0.985 167 V HN 0.901 nan 8.190 nan 0.000 0.438 168 W N 5.631 127.020 121.300 0.147 0.000 3.211 168 W HA 0.542 5.188 4.660 -0.023 0.000 0.335 168 W C -0.037 176.538 176.519 0.093 0.000 1.113 168 W CA -0.490 56.929 57.345 0.124 0.000 1.235 168 W CB 1.266 30.795 29.460 0.114 0.000 1.365 168 W HN 0.613 nan 8.180 nan 0.000 0.476 169 N N 5.364 123.625 118.700 -0.732 0.000 2.727 169 N HA -0.278 4.448 4.740 -0.023 0.000 0.251 169 N C 0.165 175.467 175.510 -0.347 0.000 1.040 169 N CA 1.819 54.438 53.050 -0.718 0.000 0.712 169 N CB -1.312 36.443 38.487 -1.220 0.000 0.912 169 N HN 0.778 nan 8.380 nan 0.000 0.545 170 N N -1.760 116.817 118.700 -0.205 0.000 2.815 170 N HA -0.196 4.530 4.740 -0.023 0.000 0.247 170 N C -0.854 174.569 175.510 -0.143 0.000 1.030 170 N CA 1.787 54.748 53.050 -0.148 0.000 0.881 170 N CB -0.493 37.873 38.487 -0.201 0.000 1.134 170 N HN 0.600 nan 8.380 nan 0.000 0.582 171 D N -0.203 120.117 120.400 -0.133 0.000 2.299 171 D HA 0.480 5.106 4.640 -0.023 0.000 0.243 171 D C 0.575 176.698 176.300 -0.294 0.000 0.982 171 D CA -0.424 53.433 54.000 -0.239 0.000 0.924 171 D CB 1.314 41.931 40.800 -0.304 0.000 1.238 171 D HN -0.019 nan 8.370 nan 0.000 0.484 172 I N 1.615 121.848 120.570 -0.562 0.000 2.359 172 I HA 0.264 4.420 4.170 -0.023 0.000 0.294 172 I C -0.713 174.900 176.117 -0.839 0.000 0.987 172 I CA -0.553 60.389 61.300 -0.598 0.000 1.225 172 I CB 0.680 38.251 38.000 -0.715 0.000 1.366 172 I HN 0.174 nan 8.210 nan 0.000 0.466 173 Y N 4.177 124.092 120.300 -0.642 0.000 2.536 173 Y HA 0.631 5.167 4.550 -0.023 0.000 0.347 173 Y C -0.295 175.312 175.900 -0.489 0.000 1.000 173 Y CA -0.906 56.782 58.100 -0.687 0.000 1.051 173 Y CB 2.258 39.975 38.460 -1.237 0.000 1.259 173 Y HN 0.120 nan 8.280 nan 0.000 0.468 174 V N 2.414 122.304 119.914 -0.039 0.000 2.638 174 V HA 0.408 4.514 4.120 -0.023 0.000 0.306 174 V C -0.891 175.365 176.094 0.271 0.000 1.052 174 V CA -1.394 60.980 62.300 0.123 0.000 0.885 174 V CB 1.947 33.844 31.823 0.123 0.000 0.999 174 V HN 0.611 nan 8.190 nan 0.000 0.424 175 K N 4.169 124.723 120.400 0.256 0.000 2.316 175 K HA 0.479 4.785 4.320 -0.023 0.000 0.267 175 K C 0.501 177.230 176.600 0.214 0.000 1.025 175 K CA -0.682 55.741 56.287 0.227 0.000 0.896 175 K CB 1.449 34.029 32.500 0.133 0.000 1.124 175 K HN 0.460 nan 8.250 nan 0.000 0.451 176 I N 1.434 122.160 120.570 0.260 0.000 2.315 176 I HA -0.094 4.062 4.170 -0.023 0.000 0.248 176 I C 0.395 176.600 176.117 0.147 0.000 1.117 176 I CA 1.323 62.724 61.300 0.169 0.000 1.404 176 I CB -0.342 37.758 38.000 0.167 0.000 1.071 176 I HN 0.608 nan 8.210 nan 0.000 0.419 177 E N -0.582 119.709 120.200 0.153 0.000 2.256 177 E HA 0.322 4.658 4.350 -0.023 0.000 0.268 177 E C -1.938 174.663 176.600 0.003 0.000 0.877 177 E CA -2.072 54.398 56.400 0.116 0.000 0.757 177 E CB 2.156 31.927 29.700 0.118 0.000 1.183 177 E HN -0.217 nan 8.360 nan 0.000 0.418 178 P HA -0.149 nan 4.420 nan 0.000 0.220 178 P C 0.159 177.397 177.300 -0.104 0.000 1.144 178 P CA 1.335 64.320 63.100 -0.192 0.000 0.800 178 P CB 0.190 31.603 31.700 -0.479 0.000 0.772 179 N N -2.575 116.085 118.700 -0.067 0.000 2.322 179 N HA 0.044 4.770 4.740 -0.023 0.000 0.181 179 N C 0.362 175.861 175.510 -0.018 0.000 1.088 179 N CA 0.030 53.066 53.050 -0.024 0.000 0.885 179 N CB -0.646 37.844 38.487 0.005 0.000 1.013 179 N HN -0.024 nan 8.380 nan 0.000 0.472 180 L N 0.793 122.011 121.223 -0.008 0.000 2.456 180 L HA 0.434 4.760 4.340 -0.023 0.000 0.257 180 L C -2.023 174.815 176.870 -0.054 0.000 1.162 180 L CA -2.121 52.710 54.840 -0.014 0.000 0.808 180 L CB 0.340 42.415 42.059 0.026 0.000 1.136 180 L HN 0.003 nan 8.230 nan 0.000 0.466 181 P HA 0.064 nan 4.420 nan 0.000 0.269 181 P C -1.281 175.894 177.300 -0.207 0.000 1.217 181 P CA -0.057 62.950 63.100 -0.155 0.000 0.783 181 P CB 0.457 32.041 31.700 -0.193 0.000 0.898 182 S N 0.777 116.399 115.700 -0.130 0.000 2.541 182 S HA 0.375 4.832 4.470 -0.023 0.000 0.283 182 S C -0.691 173.857 174.600 -0.086 0.000 1.196 182 S CA -0.381 57.809 58.200 -0.017 0.000 1.062 182 S CB 0.096 63.390 63.200 0.156 0.000 1.009 182 S HN 0.232 nan 8.310 nan 0.000 0.502 183 Y N 1.436 121.769 120.300 0.055 0.000 2.404 183 Y HA 0.300 4.836 4.550 -0.023 0.000 0.344 183 Y C 1.031 176.864 175.900 -0.111 0.000 0.995 183 Y CA -0.603 57.503 58.100 0.010 0.000 1.201 183 Y CB 0.465 38.931 38.460 0.011 0.000 1.151 183 Y HN 0.455 nan 8.280 nan 0.000 0.517 184 R N 4.243 124.688 120.500 -0.092 0.000 2.343 184 R HA 0.076 4.402 4.340 -0.023 0.000 0.326 184 R C 0.340 176.368 176.300 -0.454 0.000 1.055 184 R CA -0.015 55.727 56.100 -0.597 0.000 0.961 184 R CB 0.284 30.031 30.300 -0.922 0.000 0.978 184 R HN 0.786 nan 8.270 nan 0.000 0.443 185 I N 2.311 122.554 120.570 -0.544 0.000 2.500 185 I HA -0.084 4.072 4.170 -0.023 0.000 0.252 185 I C 1.252 177.165 176.117 -0.340 0.000 1.142 185 I CA 1.178 62.260 61.300 -0.363 0.000 1.451 185 I CB -0.777 36.949 38.000 -0.458 0.000 1.093 185 I HN 0.550 nan 8.210 nan 0.000 0.430 186 T N -4.014 110.214 114.554 -0.544 0.000 2.886 186 T HA 0.375 4.711 4.350 -0.023 0.000 0.292 186 T C -0.740 173.694 174.700 -0.442 0.000 1.012 186 T CA -0.582 61.301 62.100 -0.361 0.000 0.982 186 T CB 1.508 70.147 68.868 -0.382 0.000 1.018 186 T HN 0.148 nan 8.240 nan 0.000 0.451 187 W N 1.299 122.490 121.300 -0.181 0.000 2.846 187 W HA 0.248 4.894 4.660 -0.023 0.000 0.391 187 W C 1.792 178.253 176.519 -0.096 0.000 1.011 187 W CA -0.131 57.140 57.345 -0.123 0.000 1.832 187 W CB 0.376 29.784 29.460 -0.086 0.000 1.151 187 W HN 0.934 nan 8.180 nan 0.000 0.582 188 T N -3.309 111.275 114.554 0.049 0.000 3.015 188 T HA 0.235 4.571 4.350 -0.023 0.000 0.250 188 T C 1.400 176.090 174.700 -0.018 0.000 1.057 188 T CA 0.261 62.378 62.100 0.027 0.000 1.066 188 T CB -0.309 68.569 68.868 0.017 0.000 0.959 188 T HN -0.009 nan 8.240 nan 0.000 0.488 189 G N 1.705 110.465 108.800 -0.067 0.000 2.225 189 G HA2 0.323 4.269 3.960 -0.023 0.000 0.245 189 G HA3 0.323 4.269 3.960 -0.023 0.000 0.245 189 G C -0.571 174.258 174.900 -0.119 0.000 1.249 189 G CA -0.239 44.799 45.100 -0.104 0.000 0.919 189 G HN 0.481 nan 8.290 nan 0.000 0.486 190 K N 2.220 122.536 120.400 -0.140 0.000 2.507 190 K HA 0.190 4.497 4.320 -0.023 0.000 0.251 190 K C -0.015 176.461 176.600 -0.207 0.000 0.943 190 K CA -0.692 55.512 56.287 -0.139 0.000 0.794 190 K CB 1.655 34.107 32.500 -0.080 0.000 1.188 190 K HN 0.648 nan 8.250 nan 0.000 0.428 191 E N 3.111 123.197 120.200 -0.190 0.000 2.652 191 E HA -0.158 4.178 4.350 -0.023 0.000 0.255 191 E C -0.653 175.843 176.600 -0.173 0.000 0.952 191 E CA 0.927 57.209 56.400 -0.196 0.000 0.947 191 E CB 0.271 29.890 29.700 -0.134 0.000 0.912 191 E HN 0.667 nan 8.360 nan 0.000 0.489 192 D N 2.273 122.539 120.400 -0.223 0.000 3.046 192 D HA -0.235 4.391 4.640 -0.023 0.000 0.210 192 D C 0.303 176.593 176.300 -0.017 0.000 1.124 192 D CA 1.613 55.594 54.000 -0.032 0.000 0.986 192 D CB -0.941 39.903 40.800 0.073 0.000 1.118 192 D HN 0.549 nan 8.370 nan 0.000 0.416 193 I N -1.461 118.975 120.570 -0.223 0.000 3.685 193 I HA 0.112 4.268 4.170 -0.023 0.000 0.258 193 I C 0.062 176.186 176.117 0.012 0.000 1.135 193 I CA -0.193 61.099 61.300 -0.013 0.000 1.436 193 I CB 0.568 38.568 38.000 -0.000 0.000 1.670 193 I HN -0.195 nan 8.210 nan 0.000 0.424 194 I N 1.445 121.942 120.570 -0.121 0.000 2.339 194 I HA 0.227 4.383 4.170 -0.023 0.000 0.290 194 I C -1.355 174.705 176.117 -0.095 0.000 0.994 194 I CA -0.869 60.438 61.300 0.013 0.000 1.191 194 I CB 0.488 38.497 38.000 0.015 0.000 1.343 194 I HN 0.009 nan 8.210 nan 0.000 0.458 195 Y N 5.262 125.651 120.300 0.148 0.000 2.402 195 Y HA 0.424 4.960 4.550 -0.023 0.000 0.332 195 Y C 0.322 176.289 175.900 0.112 0.000 0.960 195 Y CA -0.800 57.390 58.100 0.151 0.000 1.228 195 Y CB 0.604 39.228 38.460 0.273 0.000 1.120 195 Y HN 0.415 nan 8.280 nan 0.000 0.491 196 N N 2.325 121.092 118.700 0.110 0.000 2.419 196 N HA 0.254 4.980 4.740 -0.023 0.000 0.264 196 N C 1.052 176.532 175.510 -0.050 0.000 1.031 196 N CA 0.622 53.689 53.050 0.028 0.000 0.951 196 N CB 1.726 40.140 38.487 -0.122 0.000 1.101 196 N HN 0.989 nan 8.380 nan 0.000 0.488 197 G N 1.595 110.395 108.800 -0.001 0.000 2.196 197 G HA2 -0.283 3.663 3.960 -0.023 0.000 0.268 197 G HA3 -0.283 3.663 3.960 -0.023 0.000 0.268 197 G C 0.209 174.963 174.900 -0.243 0.000 0.975 197 G CA 1.023 46.038 45.100 -0.140 0.000 0.648 197 G HN 0.686 nan 8.290 nan 0.000 0.538 198 I N -1.876 118.604 120.570 -0.150 0.000 2.846 198 I HA 0.828 4.984 4.170 -0.023 0.000 0.307 198 I C 0.377 176.480 176.117 -0.022 0.000 1.053 198 I CA -0.666 60.426 61.300 -0.347 0.000 1.050 198 I CB 2.120 39.720 38.000 -0.667 0.000 1.239 198 I HN 0.145 nan 8.210 nan 0.000 0.439 199 T N -0.394 114.067 114.554 -0.155 0.000 2.909 199 T HA 0.353 4.689 4.350 -0.023 0.000 0.286 199 T C -0.154 174.363 174.700 -0.305 0.000 1.002 199 T CA -0.726 61.197 62.100 -0.295 0.000 1.074 199 T CB 1.301 70.063 68.868 -0.176 0.000 0.984 199 T HN 0.775 nan 8.240 nan 0.000 0.495 200 D N 1.081 121.018 120.400 -0.772 0.000 2.414 200 D HA -0.017 4.610 4.640 -0.023 0.000 0.259 200 D C 1.008 177.230 176.300 -0.130 0.000 1.269 200 D CA -0.967 52.592 54.000 -0.735 0.000 1.028 200 D CB 0.143 40.387 40.800 -0.927 0.000 1.093 200 D HN 0.725 nan 8.370 nan 0.000 0.545 201 W N 0.209 121.446 121.300 -0.106 0.000 2.333 201 W HA -0.219 4.427 4.660 -0.023 0.000 0.316 201 W C 2.222 178.639 176.519 -0.170 0.000 1.215 201 W CA 2.436 59.723 57.345 -0.097 0.000 1.278 201 W CB -0.518 28.824 29.460 -0.197 0.000 1.154 201 W HN 0.188 nan 8.180 nan 0.000 0.486 202 V N -0.073 119.934 119.914 0.156 0.000 2.307 202 V HA -0.307 3.799 4.120 -0.023 0.000 0.245 202 V C 1.983 177.916 176.094 -0.267 0.000 1.045 202 V CA 2.146 64.419 62.300 -0.043 0.000 1.024 202 V CB -0.886 30.915 31.823 -0.038 0.000 0.651 202 V HN 0.306 nan 8.190 nan 0.000 0.449 203 Y N 0.716 120.855 120.300 -0.269 0.000 2.256 203 Y HA -0.234 4.302 4.550 -0.023 0.000 0.288 203 Y C 2.582 178.401 175.900 -0.134 0.000 1.155 203 Y CA 2.221 60.170 58.100 -0.252 0.000 1.203 203 Y CB -0.047 38.119 38.460 -0.490 0.000 0.980 203 Y HN 0.440 nan 8.280 nan 0.000 0.530 204 E N 0.301 120.473 120.200 -0.046 0.000 2.028 204 E HA -0.275 4.061 4.350 -0.023 0.000 0.191 204 E C 2.083 178.649 176.600 -0.057 0.000 0.988 204 E CA 1.416 57.818 56.400 0.005 0.000 0.799 204 E CB -0.053 29.655 29.700 0.014 0.000 0.755 204 E HN 0.407 nan 8.360 nan 0.000 0.447 205 E N 0.184 120.147 120.200 -0.395 0.000 2.072 205 E HA -0.177 4.159 4.350 -0.023 0.000 0.191 205 E C 1.695 178.179 176.600 -0.192 0.000 0.985 205 E CA 1.578 57.732 56.400 -0.410 0.000 0.801 205 E CB 0.152 29.259 29.700 -0.990 0.000 0.750 205 E HN 0.208 nan 8.360 nan 0.000 0.452 206 E N -1.059 119.000 120.200 -0.234 0.000 2.372 206 E HA 0.117 4.453 4.350 -0.023 0.000 0.201 206 E C 1.792 178.261 176.600 -0.219 0.000 0.938 206 E CA 0.504 56.800 56.400 -0.172 0.000 0.944 206 E CB 0.843 30.423 29.700 -0.200 0.000 0.937 206 E HN 0.202 nan 8.360 nan 0.000 0.495 207 V N -0.386 119.349 119.914 -0.299 0.000 2.721 207 V HA 0.057 4.163 4.120 -0.023 0.000 0.236 207 V C 1.446 177.323 176.094 -0.362 0.000 1.116 207 V CA 0.709 62.744 62.300 -0.442 0.000 1.148 207 V CB -0.224 31.163 31.823 -0.727 0.000 0.886 207 V HN 0.020 nan 8.190 nan 0.000 0.490 208 F N 0.697 120.663 119.950 0.026 0.000 2.754 208 F HA 0.268 4.781 4.527 -0.023 0.000 0.297 208 F C 1.584 177.353 175.800 -0.052 0.000 1.122 208 F CA 0.151 58.182 58.000 0.052 0.000 1.400 208 F CB -0.390 38.683 39.000 0.121 0.000 1.117 208 F HN 0.044 nan 8.300 nan 0.000 0.587 209 S N 0.745 116.475 115.700 0.050 0.000 3.491 209 S HA -0.004 4.452 4.470 -0.023 0.000 0.371 209 S C 0.104 174.329 174.600 -0.625 0.000 0.980 209 S CA 0.451 58.566 58.200 -0.141 0.000 1.204 209 S CB -1.674 61.492 63.200 -0.056 0.000 0.915 209 S HN 0.628 nan 8.310 nan 0.000 0.482 210 A N -0.597 122.051 122.820 -0.286 0.000 2.599 210 A HA 0.640 4.946 4.320 -0.023 0.000 0.294 210 A C -0.357 177.203 177.584 -0.041 0.000 1.055 210 A CA -0.514 51.363 52.037 -0.267 0.000 0.683 210 A CB 0.352 19.209 19.000 -0.239 0.000 1.278 210 A HN 0.348 nan 8.150 nan 0.000 0.412 211 Y N 1.187 121.334 120.300 -0.255 0.000 2.475 211 Y HA 0.142 4.678 4.550 -0.023 0.000 0.289 211 Y C 1.503 177.113 175.900 -0.483 0.000 1.121 211 Y CA 1.121 59.071 58.100 -0.252 0.000 1.257 211 Y CB 0.335 38.696 38.460 -0.166 0.000 1.026 211 Y HN 0.701 nan 8.280 nan 0.000 0.555 212 S N 0.496 115.675 115.700 -0.868 0.000 2.549 212 S HA 0.430 4.887 4.470 -0.023 0.000 0.279 212 S C 0.201 174.259 174.600 -0.904 0.000 1.321 212 S CA 0.082 57.557 58.200 -1.208 0.000 1.054 212 S CB 1.102 63.336 63.200 -1.610 0.000 0.899 212 S HN 0.381 nan 8.310 nan 0.000 0.497 213 A N 5.551 127.857 122.820 -0.857 0.000 2.812 213 A HA 0.513 4.819 4.320 -0.023 0.000 0.294 213 A C -0.538 176.367 177.584 -1.132 0.000 1.014 213 A CA -0.433 51.030 52.037 -0.957 0.000 1.024 213 A CB -0.079 18.778 19.000 -0.239 0.000 1.162 213 A HN 0.713 nan 8.150 nan 0.000 0.511 214 L N 0.605 121.042 121.223 -1.309 0.000 2.362 214 L HA 0.592 4.918 4.340 -0.023 0.000 0.275 214 L C -1.177 175.197 176.870 -0.826 0.000 0.998 214 L CA -0.529 53.851 54.840 -0.767 0.000 0.820 214 L CB 1.796 43.618 42.059 -0.395 0.000 1.270 214 L HN 0.443 nan 8.230 nan 0.000 0.415 215 W N 2.503 123.824 121.300 0.036 0.000 2.756 215 W HA 0.238 4.884 4.660 -0.023 0.000 0.333 215 W C -1.075 175.586 176.519 0.236 0.000 1.025 215 W CA -1.096 56.383 57.345 0.223 0.000 1.246 215 W CB 1.440 31.114 29.460 0.357 0.000 1.358 215 W HN 0.465 nan 8.180 nan 0.000 0.444 216 W N 2.191 123.666 121.300 0.292 0.000 2.202 216 W HA 0.253 4.899 4.660 -0.023 0.000 0.332 216 W C 1.259 177.513 176.519 -0.441 0.000 1.263 216 W CA 0.255 57.618 57.345 0.030 0.000 1.223 216 W CB 0.810 30.279 29.460 0.014 0.000 1.128 216 W HN 0.197 nan 8.180 nan 0.000 0.573 217 S N 2.427 117.752 115.700 -0.625 0.000 2.585 217 S HA 0.169 4.625 4.470 -0.023 0.000 0.273 217 S C -1.714 172.627 174.600 -0.431 0.000 1.339 217 S CA -1.000 56.353 58.200 -1.411 0.000 1.028 217 S CB 1.157 63.572 63.200 -1.309 0.000 0.906 217 S HN 0.272 nan 8.310 nan 0.000 0.528 218 P HA -0.210 nan 4.420 nan 0.000 0.219 218 P C 0.833 178.104 177.300 -0.049 0.000 1.158 218 P CA 1.872 64.946 63.100 -0.044 0.000 0.895 218 P CB -0.245 31.473 31.700 0.030 0.000 0.792 219 N N -1.665 116.993 118.700 -0.070 0.000 2.295 219 N HA 0.129 4.855 4.740 -0.023 0.000 0.221 219 N C 0.894 176.335 175.510 -0.115 0.000 1.129 219 N CA 0.291 53.296 53.050 -0.076 0.000 0.836 219 N CB -1.042 37.415 38.487 -0.051 0.000 1.040 219 N HN 0.174 nan 8.380 nan 0.000 0.494 220 G N -0.634 108.106 108.800 -0.101 0.000 2.203 220 G HA2 -0.348 3.598 3.960 -0.023 0.000 0.263 220 G HA3 -0.348 3.598 3.960 -0.023 0.000 0.263 220 G C 0.813 175.744 174.900 0.052 0.000 1.012 220 G CA 1.010 46.060 45.100 -0.082 0.000 0.749 220 G HN 0.416 nan 8.290 nan 0.000 0.512 221 T N -0.519 114.003 114.554 -0.053 0.000 2.770 221 T HA 0.256 4.592 4.350 -0.023 0.000 0.258 221 T C 0.776 175.332 174.700 -0.239 0.000 1.039 221 T CA 1.059 63.020 62.100 -0.231 0.000 1.143 221 T CB -0.042 68.554 68.868 -0.454 0.000 0.866 221 T HN 0.262 nan 8.240 nan 0.000 0.428 222 F N 0.709 120.684 119.950 0.042 0.000 2.422 222 F HA 0.596 5.109 4.527 -0.023 0.000 0.333 222 F C -0.240 175.589 175.800 0.049 0.000 1.095 222 F CA -1.505 56.552 58.000 0.094 0.000 1.038 222 F CB 1.058 40.200 39.000 0.236 0.000 1.156 222 F HN -0.080 nan 8.300 nan 0.000 0.483 223 L N 3.321 124.638 121.223 0.157 0.000 2.294 223 L HA 0.766 5.092 4.340 -0.023 0.000 0.283 223 L C -0.456 176.481 176.870 0.112 0.000 1.015 223 L CA -0.470 54.272 54.840 -0.164 0.000 0.831 223 L CB 0.571 42.255 42.059 -0.626 0.000 1.217 223 L HN 0.668 nan 8.230 nan 0.000 0.420 224 A N 5.089 128.060 122.820 0.251 0.000 2.310 224 A HA 0.722 5.028 4.320 -0.023 0.000 0.299 224 A C -1.284 176.409 177.584 0.182 0.000 1.147 224 A CA -0.256 51.861 52.037 0.132 0.000 0.818 224 A CB 0.418 19.584 19.000 0.277 0.000 1.096 224 A HN 0.841 nan 8.150 nan 0.000 0.495 225 Y N -1.316 118.815 120.300 -0.283 0.000 2.609 225 Y HA 0.764 5.300 4.550 -0.023 0.000 0.336 225 Y C -0.297 175.486 175.900 -0.195 0.000 1.129 225 Y CA -0.938 57.079 58.100 -0.138 0.000 1.040 225 Y CB 0.970 39.309 38.460 -0.201 0.000 1.310 225 Y HN 0.881 nan 8.280 nan 0.000 0.460 226 A N 2.300 125.162 122.820 0.070 0.000 2.320 226 A HA 0.619 4.925 4.320 -0.023 0.000 0.334 226 A C -1.160 176.301 177.584 -0.204 0.000 1.147 226 A CA -0.835 51.102 52.037 -0.168 0.000 0.820 226 A CB 1.639 20.451 19.000 -0.314 0.000 1.218 226 A HN 0.783 nan 8.150 nan 0.000 0.482 227 Q N 1.621 121.258 119.800 -0.272 0.000 2.325 227 Q HA 0.546 4.872 4.340 -0.023 0.000 0.270 227 Q C -2.070 173.750 176.000 -0.299 0.000 1.020 227 Q CA -0.307 55.436 55.803 -0.100 0.000 0.785 227 Q CB 0.938 29.788 28.738 0.187 0.000 1.259 227 Q HN 0.566 nan 8.270 nan 0.000 0.452 228 F N 2.484 122.536 119.950 0.171 0.000 2.443 228 F HA 0.398 4.912 4.527 -0.023 0.000 0.335 228 F C 0.576 176.542 175.800 0.277 0.000 1.104 228 F CA -0.848 57.240 58.000 0.146 0.000 1.013 228 F CB 1.248 40.248 39.000 0.000 0.000 1.136 228 F HN 0.437 nan 8.300 nan 0.000 0.470 229 N N 1.915 120.849 118.700 0.389 0.000 2.424 229 N HA 0.223 4.949 4.740 -0.023 0.000 0.271 229 N C -0.908 174.791 175.510 0.315 0.000 0.985 229 N CA -0.319 52.919 53.050 0.313 0.000 0.921 229 N CB 1.172 39.781 38.487 0.204 0.000 1.149 229 N HN 0.527 nan 8.380 nan 0.000 0.492 230 D N 1.606 122.209 120.400 0.338 0.000 2.559 230 D HA 0.149 4.775 4.640 -0.023 0.000 0.234 230 D C 1.090 177.510 176.300 0.199 0.000 1.226 230 D CA 0.054 54.229 54.000 0.291 0.000 0.830 230 D CB 0.475 41.517 40.800 0.403 0.000 1.028 230 D HN 0.452 nan 8.370 nan 0.000 0.492 231 T N 0.078 114.727 114.554 0.158 0.000 2.665 231 T HA -0.176 4.160 4.350 -0.023 0.000 0.268 231 T C 1.486 176.242 174.700 0.093 0.000 1.035 231 T CA 1.322 63.488 62.100 0.110 0.000 1.151 231 T CB 0.060 68.981 68.868 0.088 0.000 0.862 231 T HN 0.186 nan 8.240 nan 0.000 0.438 232 E N 0.107 120.363 120.200 0.092 0.000 2.481 232 E HA 0.160 4.496 4.350 -0.023 0.000 0.198 232 E C -0.313 176.336 176.600 0.082 0.000 1.027 232 E CA -0.221 56.223 56.400 0.074 0.000 0.900 232 E CB 0.543 30.279 29.700 0.060 0.000 0.993 232 E HN 0.155 nan 8.360 nan 0.000 0.482 233 V N 3.968 123.946 119.914 0.107 0.000 2.458 233 V HA 0.028 4.134 4.120 -0.023 0.000 0.287 233 V C -1.994 174.160 176.094 0.100 0.000 1.009 233 V CA -1.066 61.302 62.300 0.113 0.000 1.091 233 V CB -0.087 31.824 31.823 0.147 0.000 0.960 233 V HN 0.083 nan 8.190 nan 0.000 0.476 234 P HA 0.276 nan 4.420 nan 0.000 0.271 234 P C -0.789 176.551 177.300 0.066 0.000 1.233 234 P CA -0.297 62.841 63.100 0.064 0.000 0.789 234 P CB 0.508 32.242 31.700 0.056 0.000 0.951 235 L N 1.301 122.542 121.223 0.029 0.000 2.322 235 L HA 0.473 4.800 4.340 -0.023 0.000 0.281 235 L C 0.273 177.102 176.870 -0.068 0.000 1.014 235 L CA -0.991 53.852 54.840 0.005 0.000 0.815 235 L CB 1.069 43.128 42.059 0.000 0.000 1.247 235 L HN 0.257 nan 8.230 nan 0.000 0.421 236 I N 2.518 123.003 120.570 -0.141 0.000 2.529 236 I HA 0.166 4.322 4.170 -0.023 0.000 0.284 236 I C -0.201 175.793 176.117 -0.205 0.000 1.082 236 I CA 0.541 61.655 61.300 -0.310 0.000 1.406 236 I CB 0.466 37.980 38.000 -0.810 0.000 1.405 236 I HN 0.606 nan 8.210 nan 0.000 0.548 237 E N 7.454 127.554 120.200 -0.168 0.000 2.234 237 E HA 0.489 4.825 4.350 -0.023 0.000 0.266 237 E C -1.765 174.802 176.600 -0.055 0.000 0.877 237 E CA -0.602 55.703 56.400 -0.158 0.000 0.758 237 E CB 1.950 31.574 29.700 -0.127 0.000 1.170 237 E HN 0.571 nan 8.360 nan 0.000 0.415 238 Y N -1.786 118.435 120.300 -0.132 0.000 2.581 238 Y HA 0.478 5.014 4.550 -0.023 0.000 0.337 238 Y C -0.769 175.057 175.900 -0.123 0.000 1.108 238 Y CA -1.304 56.721 58.100 -0.124 0.000 1.033 238 Y CB 0.841 39.234 38.460 -0.110 0.000 1.318 238 Y HN 0.172 nan 8.280 nan 0.000 0.459 239 S N 2.757 118.426 115.700 -0.051 0.000 2.510 239 S HA 0.312 4.768 4.470 -0.023 0.000 0.279 239 S C -1.105 173.293 174.600 -0.337 0.000 1.284 239 S CA -0.292 57.712 58.200 -0.326 0.000 1.059 239 S CB -0.181 62.658 63.200 -0.601 0.000 0.901 239 S HN 0.518 nan 8.310 nan 0.000 0.491 240 F N 2.977 122.699 119.950 -0.380 0.000 2.436 240 F HA 0.431 4.944 4.527 -0.023 0.000 0.340 240 F C 0.056 175.672 175.800 -0.307 0.000 1.113 240 F CA -0.706 57.157 58.000 -0.228 0.000 1.022 240 F CB 0.802 39.778 39.000 -0.041 0.000 1.128 240 F HN 0.649 nan 8.300 nan 0.000 0.466 241 Y N 2.575 122.699 120.300 -0.293 0.000 2.479 241 Y HA 0.139 4.675 4.550 -0.023 0.000 0.283 241 Y C 1.665 177.548 175.900 -0.028 0.000 1.109 241 Y CA 0.963 58.988 58.100 -0.126 0.000 1.239 241 Y CB -0.245 38.105 38.460 -0.182 0.000 1.108 241 Y HN 0.779 nan 8.280 nan 0.000 0.548 242 S N -0.134 115.600 115.700 0.057 0.000 3.486 242 S HA -0.293 4.163 4.470 -0.023 0.000 0.632 242 S C -0.375 174.309 174.600 0.139 0.000 2.553 242 S CA 0.610 58.961 58.200 0.251 0.000 2.974 242 S CB -1.431 61.970 63.200 0.336 0.000 0.320 242 S HN 0.475 nan 8.310 nan 0.000 1.613 243 D N 1.438 121.921 120.400 0.138 0.000 2.339 243 D HA 0.357 4.983 4.640 -0.023 0.000 0.245 243 D C 1.389 177.729 176.300 0.067 0.000 1.115 243 D CA 0.540 54.593 54.000 0.089 0.000 0.917 243 D CB 0.689 41.538 40.800 0.081 0.000 1.192 243 D HN 0.567 nan 8.370 nan 0.000 0.428 244 E N 0.120 120.345 120.200 0.041 0.000 2.331 244 E HA -0.222 4.115 4.350 -0.023 0.000 0.199 244 E C 1.191 177.807 176.600 0.027 0.000 1.008 244 E CA 1.080 57.495 56.400 0.024 0.000 0.843 244 E CB -0.131 29.574 29.700 0.008 0.000 0.761 244 E HN 0.315 nan 8.360 nan 0.000 0.507 245 S N 0.497 116.220 115.700 0.039 0.000 2.453 245 S HA -0.076 4.380 4.470 -0.023 0.000 0.231 245 S C 0.914 175.544 174.600 0.050 0.000 1.005 245 S CA -0.120 58.103 58.200 0.039 0.000 0.949 245 S CB -0.273 62.951 63.200 0.040 0.000 0.774 245 S HN 0.296 nan 8.310 nan 0.000 0.510 246 L N 2.422 123.685 121.223 0.068 0.000 2.369 246 L HA 0.336 4.662 4.340 -0.023 0.000 0.279 246 L C 1.288 178.198 176.870 0.067 0.000 1.108 246 L CA 0.174 55.066 54.840 0.086 0.000 0.852 246 L CB 0.687 42.816 42.059 0.117 0.000 1.169 246 L HN 0.263 nan 8.230 nan 0.000 0.452 247 Q N 3.797 123.642 119.800 0.075 0.000 2.096 247 Q HA -0.017 4.309 4.340 -0.023 0.000 0.197 247 Q C -0.517 175.399 176.000 -0.140 0.000 0.964 247 Q CA 1.093 56.885 55.803 -0.019 0.000 0.838 247 Q CB 0.164 28.914 28.738 0.019 0.000 0.906 247 Q HN 0.696 nan 8.270 nan 0.000 0.444 248 Y N 0.798 121.116 120.300 0.029 0.000 2.335 248 Y HA 0.370 4.906 4.550 -0.023 0.000 0.338 248 Y C -2.066 173.849 175.900 0.025 0.000 0.977 248 Y CA -2.954 55.160 58.100 0.023 0.000 1.114 248 Y CB 1.229 39.693 38.460 0.007 0.000 1.182 248 Y HN 0.140 nan 8.280 nan 0.000 0.463 249 P HA -0.034 nan 4.420 nan 0.000 0.265 249 P C -0.607 176.703 177.300 0.016 0.000 1.193 249 P CA -0.271 62.852 63.100 0.038 0.000 0.765 249 P CB 0.603 32.261 31.700 -0.070 0.000 0.823 250 K N 2.264 122.671 120.400 0.011 0.000 2.322 250 K HA 0.180 4.486 4.320 -0.023 0.000 0.283 250 K C -0.552 176.003 176.600 -0.075 0.000 1.042 250 K CA -0.102 56.181 56.287 -0.007 0.000 0.958 250 K CB 0.258 32.776 32.500 0.029 0.000 0.984 250 K HN 0.357 nan 8.250 nan 0.000 0.473 251 T N 3.900 118.395 114.554 -0.098 0.000 2.747 251 T HA 0.154 4.490 4.350 -0.023 0.000 0.301 251 T C -0.197 174.378 174.700 -0.207 0.000 0.952 251 T CA -0.617 61.390 62.100 -0.156 0.000 0.983 251 T CB 0.648 69.442 68.868 -0.124 0.000 0.930 251 T HN 0.290 nan 8.240 nan 0.000 0.494 252 V N 5.627 125.330 119.914 -0.352 0.000 2.614 252 V HA 0.365 4.471 4.120 -0.023 0.000 0.291 252 V C 0.569 176.389 176.094 -0.457 0.000 1.049 252 V CA -0.333 61.702 62.300 -0.441 0.000 1.038 252 V CB 0.531 31.938 31.823 -0.694 0.000 0.980 252 V HN 0.733 nan 8.190 nan 0.000 0.481 253 R N 3.273 123.637 120.500 -0.228 0.000 2.514 253 R HA 0.735 5.061 4.340 -0.023 0.000 0.296 253 R C -1.833 174.463 176.300 -0.007 0.000 1.012 253 R CA -0.606 55.414 56.100 -0.133 0.000 0.897 253 R CB 2.291 32.541 30.300 -0.082 0.000 1.184 253 R HN 0.494 nan 8.270 nan 0.000 0.440 254 V N 3.634 123.553 119.914 0.008 0.000 2.569 254 V HA 0.318 4.424 4.120 -0.023 0.000 0.301 254 V C -2.416 173.737 176.094 0.098 0.000 1.044 254 V CA -2.355 60.014 62.300 0.115 0.000 0.874 254 V CB 2.251 34.130 31.823 0.094 0.000 1.002 254 V HN 0.614 nan 8.190 nan 0.000 0.424 255 P HA 0.096 nan 4.420 nan 0.000 0.260 255 P C -1.232 176.171 177.300 0.171 0.000 1.207 255 P CA 0.588 63.798 63.100 0.184 0.000 0.780 255 P CB -0.320 31.538 31.700 0.262 0.000 0.789 256 Y N 6.402 126.678 120.300 -0.039 0.000 2.317 256 Y HA 0.355 4.891 4.550 -0.023 0.000 0.325 256 Y C -2.566 173.303 175.900 -0.051 0.000 1.066 256 Y CA -2.828 55.190 58.100 -0.137 0.000 1.203 256 Y CB 1.973 40.230 38.460 -0.339 0.000 1.127 256 Y HN 0.287 nan 8.280 nan 0.000 0.451 257 P HA 0.182 nan 4.420 nan 0.000 0.281 257 P C -1.007 176.347 177.300 0.090 0.000 1.286 257 P CA -0.070 63.068 63.100 0.063 0.000 0.772 257 P CB 1.334 33.056 31.700 0.038 0.000 0.862 258 K N 2.080 122.611 120.400 0.218 0.000 2.107 258 K HA 0.487 4.793 4.320 -0.023 0.000 0.251 258 K C 0.530 177.231 176.600 0.167 0.000 1.012 258 K CA -0.688 55.745 56.287 0.244 0.000 0.920 258 K CB 0.504 33.158 32.500 0.256 0.000 1.033 258 K HN 0.463 nan 8.250 nan 0.000 0.478 259 A N 0.925 123.868 122.820 0.204 0.000 2.591 259 A HA 0.230 4.537 4.320 -0.023 0.000 0.244 259 A C 1.229 178.851 177.584 0.063 0.000 1.031 259 A CA 1.150 53.289 52.037 0.171 0.000 0.767 259 A CB -1.274 17.891 19.000 0.275 0.000 0.942 259 A HN 0.919 nan 8.150 nan 0.000 0.514 260 G N 1.041 109.869 108.800 0.048 0.000 2.225 260 G HA2 0.107 4.054 3.960 -0.023 0.000 0.254 260 G HA3 0.107 4.054 3.960 -0.023 0.000 0.254 260 G C 0.700 175.615 174.900 0.024 0.000 0.988 260 G CA 0.736 45.839 45.100 0.006 0.000 0.625 260 G HN 2.267 nan 8.290 nan 0.000 0.527 261 A N -0.015 122.836 122.820 0.051 0.000 2.313 261 A HA 0.689 4.995 4.320 -0.023 0.000 0.261 261 A C 0.955 178.572 177.584 0.054 0.000 1.090 261 A CA 0.345 52.416 52.037 0.056 0.000 0.807 261 A CB 0.694 19.743 19.000 0.081 0.000 1.055 261 A HN 1.219 nan 8.150 nan 0.000 0.492 262 V N 2.862 122.807 119.914 0.052 0.000 2.557 262 V HA -0.051 4.055 4.120 -0.023 0.000 0.301 262 V C 0.526 176.664 176.094 0.073 0.000 1.026 262 V CA 0.235 62.567 62.300 0.053 0.000 1.137 262 V CB -0.552 31.302 31.823 0.052 0.000 0.917 262 V HN 0.833 nan 8.190 nan 0.000 0.484 263 N N 6.734 125.476 118.700 0.069 0.000 2.493 263 N HA 0.410 5.136 4.740 -0.023 0.000 0.275 263 N C -2.318 173.276 175.510 0.140 0.000 1.186 263 N CA -1.509 51.605 53.050 0.107 0.000 0.978 263 N CB 0.936 39.475 38.487 0.087 0.000 1.184 263 N HN 0.397 nan 8.380 nan 0.000 0.487 264 P HA 0.045 nan 4.420 nan 0.000 0.269 264 P C -0.426 177.035 177.300 0.267 0.000 1.215 264 P CA -0.060 63.203 63.100 0.270 0.000 0.780 264 P CB 0.238 32.153 31.700 0.358 0.000 0.898 265 T N -1.393 113.297 114.554 0.227 0.000 2.944 265 T HA 0.533 4.869 4.350 -0.023 0.000 0.284 265 T C -0.229 174.607 174.700 0.228 0.000 1.010 265 T CA -0.857 61.336 62.100 0.156 0.000 1.025 265 T CB 1.489 70.406 68.868 0.081 0.000 1.079 265 T HN 0.315 nan 8.240 nan 0.000 0.516 266 V N 0.949 120.970 119.914 0.177 0.000 2.638 266 V HA 0.646 4.752 4.120 -0.023 0.000 0.306 266 V C -1.109 175.068 176.094 0.138 0.000 1.052 266 V CA -0.791 61.590 62.300 0.136 0.000 0.885 266 V CB 1.749 33.714 31.823 0.237 0.000 0.999 266 V HN 0.995 nan 8.190 nan 0.000 0.424 267 K N 4.799 125.214 120.400 0.025 0.000 2.295 267 K HA 0.633 4.939 4.320 -0.023 0.000 0.239 267 K C -1.733 174.803 176.600 -0.106 0.000 0.991 267 K CA -0.601 55.670 56.287 -0.027 0.000 0.845 267 K CB 2.613 35.081 32.500 -0.054 0.000 1.197 267 K HN 0.557 nan 8.250 nan 0.000 0.441 268 F N 1.474 121.106 119.950 -0.530 0.000 2.565 268 F HA 0.555 5.068 4.527 -0.023 0.000 0.313 268 F C -1.583 173.604 175.800 -1.021 0.000 1.091 268 F CA -0.756 56.915 58.000 -0.550 0.000 0.915 268 F CB 0.998 39.843 39.000 -0.259 0.000 1.208 268 F HN 0.384 nan 8.300 nan 0.000 0.453 269 F N 3.656 122.849 119.950 -1.262 0.000 2.613 269 F HA 0.758 5.271 4.527 -0.023 0.000 0.314 269 F C -1.052 174.112 175.800 -1.061 0.000 1.075 269 F CA -1.187 56.197 58.000 -1.027 0.000 0.945 269 F CB 2.187 40.526 39.000 -1.102 0.000 1.310 269 F HN 0.162 nan 8.300 nan 0.000 0.467 270 V N 2.557 122.262 119.914 -0.349 0.000 2.577 270 V HA 0.592 4.698 4.120 -0.023 0.000 0.303 270 V C -1.020 175.180 176.094 0.177 0.000 1.042 270 V CA -0.819 61.382 62.300 -0.165 0.000 0.872 270 V CB 1.839 33.396 31.823 -0.443 0.000 0.998 270 V HN 0.624 nan 8.190 nan 0.000 0.423 271 V N 3.677 123.753 119.914 0.269 0.000 2.769 271 V HA 0.615 4.721 4.120 -0.023 0.000 0.312 271 V C -0.432 175.877 176.094 0.359 0.000 1.058 271 V CA -0.605 61.867 62.300 0.287 0.000 0.952 271 V CB 2.227 34.157 31.823 0.177 0.000 1.019 271 V HN 0.931 nan 8.190 nan 0.000 0.445 272 N N 2.683 121.552 118.700 0.283 0.000 2.527 272 N HA 0.191 4.917 4.740 -0.023 0.000 0.236 272 N C 0.938 176.440 175.510 -0.013 0.000 0.999 272 N CA 0.418 53.541 53.050 0.121 0.000 0.935 272 N CB 1.628 40.184 38.487 0.116 0.000 1.132 272 N HN 0.881 nan 8.380 nan 0.000 0.511 273 T N -0.358 114.173 114.554 -0.038 0.000 2.995 273 T HA -0.034 4.302 4.350 -0.023 0.000 0.269 273 T C 0.857 175.491 174.700 -0.110 0.000 1.091 273 T CA 0.840 62.916 62.100 -0.041 0.000 1.128 273 T CB 0.137 69.078 68.868 0.121 0.000 0.891 273 T HN 0.258 nan 8.240 nan 0.000 0.492 274 D N 2.104 122.425 120.400 -0.132 0.000 2.224 274 D HA -0.010 4.617 4.640 -0.023 0.000 0.205 274 D C 1.837 178.068 176.300 -0.117 0.000 0.965 274 D CA 1.299 55.221 54.000 -0.130 0.000 0.852 274 D CB -0.090 40.622 40.800 -0.147 0.000 0.947 274 D HN 0.667 nan 8.370 nan 0.000 0.494 275 S N 0.040 115.677 115.700 -0.105 0.000 2.573 275 S HA 0.169 4.625 4.470 -0.023 0.000 0.244 275 S C 0.345 174.898 174.600 -0.079 0.000 0.984 275 S CA -0.612 57.549 58.200 -0.064 0.000 1.001 275 S CB -0.038 63.153 63.200 -0.016 0.000 0.788 275 S HN -0.127 nan 8.310 nan 0.000 0.456 276 L N 2.849 123.962 121.223 -0.183 0.000 2.418 276 L HA 0.400 4.726 4.340 -0.023 0.000 0.274 276 L C 0.509 177.276 176.870 -0.172 0.000 1.135 276 L CA 0.270 54.951 54.840 -0.266 0.000 0.870 276 L CB 0.720 42.379 42.059 -0.667 0.000 1.154 276 L HN 0.342 nan 8.230 nan 0.000 0.462 277 S N 1.430 117.130 115.700 0.000 0.000 2.480 277 S HA 0.221 4.678 4.470 -0.023 0.000 0.286 277 S C 1.184 175.920 174.600 0.228 0.000 1.180 277 S CA -0.279 57.980 58.200 0.098 0.000 1.075 277 S CB 1.218 64.464 63.200 0.077 0.000 0.996 277 S HN 0.726 nan 8.310 nan 0.000 0.487 278 S N 3.477 119.341 115.700 0.274 0.000 2.383 278 S HA -0.073 4.383 4.470 -0.023 0.000 0.227 278 S C 1.734 176.424 174.600 0.151 0.000 1.026 278 S CA 1.418 59.765 58.200 0.244 0.000 0.981 278 S CB -0.269 63.036 63.200 0.175 0.000 0.818 278 S HN 0.627 nan 8.310 nan 0.000 0.472 279 V N 1.438 121.421 119.914 0.115 0.000 2.515 279 V HA -0.004 4.103 4.120 -0.023 0.000 0.250 279 V C 1.447 177.586 176.094 0.074 0.000 1.058 279 V CA 1.546 63.893 62.300 0.079 0.000 1.064 279 V CB -0.920 30.939 31.823 0.060 0.000 0.675 279 V HN 0.801 nan 8.190 nan 0.000 0.461 280 T N -2.447 112.160 114.554 0.088 0.000 2.924 280 T HA 0.377 4.713 4.350 -0.023 0.000 0.291 280 T C -0.379 174.382 174.700 0.102 0.000 1.045 280 T CA -0.838 61.304 62.100 0.070 0.000 1.015 280 T CB 1.661 70.561 68.868 0.053 0.000 1.103 280 T HN 0.056 nan 8.240 nan 0.000 0.496 281 N N 1.393 120.136 118.700 0.073 0.000 2.497 281 N HA 0.387 5.113 4.740 -0.023 0.000 0.268 281 N C 0.078 175.656 175.510 0.114 0.000 1.171 281 N CA -0.053 53.068 53.050 0.118 0.000 0.948 281 N CB 1.096 39.588 38.487 0.008 0.000 1.069 281 N HN 0.946 nan 8.380 nan 0.000 0.460 282 A N 2.097 125.005 122.820 0.147 0.000 2.492 282 A HA 0.197 4.503 4.320 -0.023 0.000 0.254 282 A C 0.836 178.476 177.584 0.093 0.000 1.091 282 A CA -0.332 51.765 52.037 0.100 0.000 0.768 282 A CB -0.188 18.855 19.000 0.072 0.000 1.028 282 A HN 0.621 nan 8.150 nan 0.000 0.498 283 T N 1.108 115.719 114.554 0.095 0.000 2.856 283 T HA 0.547 4.884 4.350 -0.023 0.000 0.292 283 T C 0.051 174.834 174.700 0.138 0.000 0.980 283 T CA -0.337 61.825 62.100 0.104 0.000 1.091 283 T CB 0.500 69.434 68.868 0.110 0.000 0.936 283 T HN 0.495 nan 8.240 nan 0.000 0.503 284 S N 4.070 119.847 115.700 0.129 0.000 2.454 284 S HA 0.530 4.986 4.470 -0.023 0.000 0.306 284 S C -0.183 174.583 174.600 0.277 0.000 1.100 284 S CA -0.969 57.342 58.200 0.185 0.000 1.087 284 S CB 0.698 63.954 63.200 0.093 0.000 1.019 284 S HN 0.675 nan 8.310 nan 0.000 0.480 285 I N 3.018 123.762 120.570 0.291 0.000 2.325 285 I HA 0.247 4.403 4.170 -0.023 0.000 0.291 285 I C 0.591 176.801 176.117 0.155 0.000 1.019 285 I CA -0.274 61.193 61.300 0.279 0.000 1.302 285 I CB 0.746 38.993 38.000 0.413 0.000 1.401 285 I HN 0.733 nan 8.210 nan 0.000 0.485 286 Q N 6.575 126.437 119.800 0.102 0.000 2.286 286 Q HA 0.393 4.719 4.340 -0.023 0.000 0.257 286 Q C -0.930 174.980 176.000 -0.150 0.000 0.941 286 Q CA -0.292 55.353 55.803 -0.263 0.000 0.912 286 Q CB 0.950 29.489 28.738 -0.331 0.000 1.192 286 Q HN 0.544 nan 8.270 nan 0.000 0.410 287 I N 4.555 125.029 120.570 -0.160 0.000 2.307 287 I HA 0.189 4.345 4.170 -0.023 0.000 0.289 287 I C 0.393 176.486 176.117 -0.040 0.000 1.021 287 I CA -0.719 60.567 61.300 -0.024 0.000 1.224 287 I CB 1.131 39.163 38.000 0.052 0.000 1.376 287 I HN 0.669 nan 8.210 nan 0.000 0.470 288 T N 3.157 117.644 114.554 -0.111 0.000 2.910 288 T HA 0.603 4.939 4.350 -0.023 0.000 0.293 288 T C 0.424 174.902 174.700 -0.369 0.000 1.015 288 T CA -0.812 61.159 62.100 -0.215 0.000 1.094 288 T CB 1.544 70.296 68.868 -0.194 0.000 0.968 288 T HN 0.620 nan 8.240 nan 0.000 0.521 289 A N 4.761 127.109 122.820 -0.786 0.000 2.507 289 A HA 0.476 4.782 4.320 -0.023 0.000 0.235 289 A C -1.664 175.458 177.584 -0.769 0.000 1.070 289 A CA -1.205 49.981 52.037 -1.417 0.000 0.768 289 A CB -0.776 17.005 19.000 -2.032 0.000 1.011 289 A HN 0.838 nan 8.150 nan 0.000 0.502 290 P HA 0.119 nan 4.420 nan 0.000 0.271 290 P C 0.860 177.966 177.300 -0.323 0.000 1.233 290 P CA 0.597 63.490 63.100 -0.345 0.000 0.789 290 P CB 0.599 32.168 31.700 -0.219 0.000 0.951 291 A N 2.386 125.080 122.820 -0.210 0.000 1.892 291 A HA -0.225 4.081 4.320 -0.023 0.000 0.218 291 A C 2.275 179.752 177.584 -0.178 0.000 1.188 291 A CA 2.752 54.682 52.037 -0.177 0.000 0.631 291 A CB -1.912 17.015 19.000 -0.122 0.000 0.822 291 A HN 0.682 nan 8.150 nan 0.000 0.447 292 S N -1.460 114.155 115.700 -0.142 0.000 2.469 292 S HA -0.093 4.363 4.470 -0.023 0.000 0.238 292 S C 1.713 176.219 174.600 -0.157 0.000 0.998 292 S CA 1.580 59.703 58.200 -0.129 0.000 0.957 292 S CB -0.311 62.856 63.200 -0.055 0.000 0.764 292 S HN 0.399 nan 8.310 nan 0.000 0.514 293 M N 0.737 120.188 119.600 -0.248 0.000 2.447 293 M HA 0.351 4.817 4.480 -0.023 0.000 0.266 293 M C 1.946 177.925 176.300 -0.536 0.000 1.120 293 M CA 0.717 55.786 55.300 -0.385 0.000 1.166 293 M CB -1.075 31.174 32.600 -0.585 0.000 1.349 293 M HN 0.335 nan 8.290 nan 0.000 0.463 294 L N -0.127 120.804 121.223 -0.487 0.000 2.456 294 L HA -0.081 4.245 4.340 -0.023 0.000 0.224 294 L C 2.026 178.830 176.870 -0.110 0.000 1.148 294 L CA 0.134 54.803 54.840 -0.285 0.000 0.825 294 L CB -0.484 41.429 42.059 -0.243 0.000 0.937 294 L HN 0.199 nan 8.230 nan 0.000 0.450 295 I N 0.648 121.143 120.570 -0.124 0.000 3.294 295 I HA -0.009 4.147 4.170 -0.023 0.000 0.287 295 I C 0.910 177.000 176.117 -0.044 0.000 1.328 295 I CA 0.800 62.050 61.300 -0.083 0.000 1.375 295 I CB -1.453 36.484 38.000 -0.105 0.000 1.045 295 I HN 0.332 nan 8.210 nan 0.000 0.522 296 G N -0.091 108.709 108.800 0.001 0.000 2.324 296 G HA2 0.012 3.958 3.960 -0.023 0.000 0.293 296 G HA3 0.012 3.958 3.960 -0.023 0.000 0.293 296 G C -1.368 173.587 174.900 0.093 0.000 1.297 296 G CA -0.871 44.241 45.100 0.021 0.000 0.853 296 G HN 0.040 nan 8.290 nan 0.000 0.535 297 D N 1.358 121.756 120.400 -0.003 0.000 2.472 297 D HA 0.465 5.091 4.640 -0.023 0.000 0.237 297 D C 0.776 177.011 176.300 -0.108 0.000 1.141 297 D CA 1.008 54.938 54.000 -0.116 0.000 0.875 297 D CB 0.310 41.012 40.800 -0.162 0.000 1.192 297 D HN 0.637 nan 8.370 nan 0.000 0.450 298 H N -1.172 117.747 119.070 -0.252 0.000 2.905 298 H HA 0.471 5.013 4.556 -0.023 0.000 0.280 298 H C -1.351 173.804 175.328 -0.288 0.000 1.445 298 H CA -0.823 55.080 56.048 -0.242 0.000 1.165 298 H CB 0.378 30.128 29.762 -0.020 0.000 1.857 298 H HN 0.332 nan 8.280 nan 0.000 0.567 299 Y N -0.145 120.407 120.300 0.420 0.000 2.553 299 Y HA 0.394 4.931 4.550 -0.023 0.000 0.347 299 Y C -0.526 175.689 175.900 0.524 0.000 1.019 299 Y CA -1.066 57.284 58.100 0.418 0.000 1.032 299 Y CB 2.068 40.610 38.460 0.137 0.000 1.284 299 Y HN 0.487 nan 8.280 nan 0.000 0.466 300 L N 3.032 124.634 121.223 0.632 0.000 2.260 300 L HA 0.374 4.700 4.340 -0.023 0.000 0.289 300 L C 0.421 177.319 176.870 0.047 0.000 1.057 300 L CA -0.129 54.708 54.840 -0.005 0.000 0.811 300 L CB 0.284 42.214 42.059 -0.216 0.000 1.184 300 L HN 1.015 nan 8.230 nan 0.000 0.429 301 C N 0.958 120.150 119.300 -0.179 0.000 2.535 301 C HA 0.460 4.906 4.460 -0.023 0.000 0.310 301 C C 0.588 175.387 174.990 -0.318 0.000 1.344 301 C CA -0.161 58.685 59.018 -0.288 0.000 1.831 301 C CB -0.677 26.957 27.740 -0.177 0.000 2.284 301 C HN 0.847 nan 8.230 nan 0.000 0.523 302 D N -0.221 120.012 120.400 -0.279 0.000 2.738 302 D HA 0.628 5.254 4.640 -0.023 0.000 0.237 302 D C -1.372 174.670 176.300 -0.429 0.000 1.123 302 D CA -0.209 53.658 54.000 -0.222 0.000 0.856 302 D CB 2.273 42.942 40.800 -0.218 0.000 1.552 302 D HN 0.068 nan 8.370 nan 0.000 0.480 303 V N 2.643 122.269 119.914 -0.479 0.000 2.525 303 V HA 0.603 4.709 4.120 -0.023 0.000 0.299 303 V C -0.637 175.101 176.094 -0.592 0.000 1.034 303 V CA -0.543 61.233 62.300 -0.873 0.000 0.863 303 V CB 1.911 32.636 31.823 -1.830 0.000 0.999 303 V HN 0.738 nan 8.190 nan 0.000 0.423 304 T N 3.061 117.342 114.554 -0.455 0.000 2.928 304 T HA 0.385 4.721 4.350 -0.023 0.000 0.296 304 T C -0.953 173.605 174.700 -0.237 0.000 1.000 304 T CA -0.494 61.494 62.100 -0.187 0.000 0.989 304 T CB 1.004 69.845 68.868 -0.046 0.000 1.005 304 T HN 0.509 nan 8.240 nan 0.000 0.442 305 W N 2.020 123.262 121.300 -0.097 0.000 2.266 305 W HA 0.498 5.144 4.660 -0.023 0.000 0.317 305 W C 1.137 177.525 176.519 -0.218 0.000 1.310 305 W CA -0.321 56.960 57.345 -0.107 0.000 1.207 305 W CB 0.600 30.084 29.460 0.039 0.000 1.199 305 W HN 0.893 nan 8.180 nan 0.000 0.544 306 A N 2.145 124.814 122.820 -0.252 0.000 1.887 306 A HA 0.160 4.467 4.320 -0.023 0.000 0.210 306 A C 1.005 178.512 177.584 -0.128 0.000 1.221 306 A CA 1.608 53.235 52.037 -0.684 0.000 0.635 306 A CB -0.488 17.642 19.000 -1.450 0.000 0.881 306 A HN 0.530 nan 8.150 nan 0.000 0.456 307 T N -5.474 109.114 114.554 0.055 0.000 2.669 307 T HA 0.347 4.683 4.350 -0.023 0.000 0.283 307 T C 0.311 175.180 174.700 0.282 0.000 1.019 307 T CA -0.348 61.846 62.100 0.157 0.000 1.039 307 T CB 0.701 69.643 68.868 0.123 0.000 1.374 307 T HN 0.010 nan 8.240 nan 0.000 0.523 308 Q N 0.269 120.198 119.800 0.216 0.000 2.291 308 Q HA 0.016 4.342 4.340 -0.023 0.000 0.206 308 Q C 0.750 176.985 176.000 0.391 0.000 0.976 308 Q CA 1.467 57.400 55.803 0.216 0.000 0.875 308 Q CB -0.069 28.755 28.738 0.142 0.000 0.927 308 Q HN 0.808 nan 8.270 nan 0.000 0.450 309 E N -0.396 120.050 120.200 0.410 0.000 2.921 309 E HA 0.180 4.516 4.350 -0.023 0.000 0.203 309 E C -0.332 176.515 176.600 0.412 0.000 0.975 309 E CA -0.150 56.505 56.400 0.425 0.000 1.225 309 E CB 1.036 30.887 29.700 0.252 0.000 1.048 309 E HN -0.050 nan 8.360 nan 0.000 0.477 310 R N 1.731 122.490 120.500 0.432 0.000 2.483 310 R HA 0.500 4.826 4.340 -0.023 0.000 0.303 310 R C -1.603 174.664 176.300 -0.056 0.000 0.987 310 R CA -0.434 55.782 56.100 0.193 0.000 0.881 310 R CB 1.161 31.482 30.300 0.036 0.000 1.177 310 R HN 0.067 nan 8.270 nan 0.000 0.451 311 I N 3.376 123.758 120.570 -0.314 0.000 2.474 311 I HA 0.395 4.551 4.170 -0.023 0.000 0.294 311 I C -0.693 175.112 176.117 -0.519 0.000 1.005 311 I CA -0.468 60.388 61.300 -0.739 0.000 1.113 311 I CB 1.989 39.170 38.000 -1.365 0.000 1.289 311 I HN 0.801 nan 8.210 nan 0.000 0.436 312 S N 7.835 123.223 115.700 -0.520 0.000 2.451 312 S HA 0.699 5.156 4.470 -0.023 0.000 0.301 312 S C -0.903 173.386 174.600 -0.518 0.000 1.116 312 S CA -0.744 57.226 58.200 -0.383 0.000 1.093 312 S CB 1.252 64.349 63.200 -0.172 0.000 1.017 312 S HN 0.560 nan 8.310 nan 0.000 0.482 313 L N 2.581 123.495 121.223 -0.515 0.000 2.385 313 L HA 0.509 4.835 4.340 -0.023 0.000 0.273 313 L C -0.288 176.244 176.870 -0.563 0.000 0.990 313 L CA -0.631 53.781 54.840 -0.712 0.000 0.821 313 L CB 2.069 43.581 42.059 -0.911 0.000 1.279 313 L HN 0.688 nan 8.230 nan 0.000 0.412 314 Q N 2.198 121.636 119.800 -0.603 0.000 2.307 314 Q HA 0.375 4.701 4.340 -0.023 0.000 0.262 314 Q C -1.591 174.120 176.000 -0.482 0.000 0.961 314 Q CA -0.532 55.033 55.803 -0.397 0.000 0.882 314 Q CB 2.071 30.643 28.738 -0.277 0.000 1.264 314 Q HN 0.407 nan 8.270 nan 0.000 0.446 315 W N 2.603 123.839 121.300 -0.106 0.000 2.578 315 W HA 0.625 5.271 4.660 -0.023 0.000 0.346 315 W C -0.561 175.977 176.519 0.031 0.000 1.075 315 W CA -0.581 56.753 57.345 -0.018 0.000 1.233 315 W CB 1.046 30.477 29.460 -0.049 0.000 1.358 315 W HN 0.326 nan 8.180 nan 0.000 0.574 316 L N 2.986 124.433 121.223 0.373 0.000 2.409 316 L HA 0.493 4.820 4.340 -0.023 0.000 0.272 316 L C 0.225 177.290 176.870 0.325 0.000 0.980 316 L CA -1.066 53.952 54.840 0.296 0.000 0.826 316 L CB 1.348 43.569 42.059 0.269 0.000 1.268 316 L HN 0.465 nan 8.230 nan 0.000 0.407 317 R N 2.096 122.752 120.500 0.260 0.000 2.734 317 R HA 0.020 4.346 4.340 -0.023 0.000 0.266 317 R C 1.004 177.375 176.300 0.119 0.000 1.044 317 R CA 0.054 56.258 56.100 0.173 0.000 1.128 317 R CB 0.744 31.137 30.300 0.156 0.000 1.010 317 R HN 0.630 nan 8.270 nan 0.000 0.461 318 R N 1.855 122.339 120.500 -0.027 0.000 2.096 318 R HA -0.070 4.256 4.340 -0.023 0.000 0.235 318 R C 0.390 176.740 176.300 0.084 0.000 1.127 318 R CA 1.227 57.289 56.100 -0.063 0.000 0.968 318 R CB -0.036 30.169 30.300 -0.158 0.000 0.861 318 R HN 0.495 nan 8.270 nan 0.000 0.440 319 I N 2.471 123.076 120.570 0.059 0.000 2.406 319 I HA -0.016 4.140 4.170 -0.023 0.000 0.293 319 I C 0.307 176.484 176.117 0.099 0.000 1.101 319 I CA 0.372 61.711 61.300 0.065 0.000 1.334 319 I CB 1.263 39.289 38.000 0.043 0.000 1.421 319 I HN 0.216 nan 8.210 nan 0.000 0.513 320 Q N 5.118 124.972 119.800 0.091 0.000 2.404 320 Q HA 0.008 4.334 4.340 -0.023 0.000 0.272 320 Q C 0.646 176.726 176.000 0.132 0.000 0.939 320 Q CA -0.094 55.778 55.803 0.115 0.000 0.945 320 Q CB -0.227 28.537 28.738 0.044 0.000 1.195 320 Q HN 0.679 nan 8.270 nan 0.000 0.415 321 N N -0.843 117.935 118.700 0.131 0.000 2.184 321 N HA -0.064 4.662 4.740 -0.023 0.000 0.206 321 N C -0.796 174.804 175.510 0.150 0.000 1.151 321 N CA -0.101 53.015 53.050 0.110 0.000 0.878 321 N CB 0.345 38.874 38.487 0.071 0.000 1.014 321 N HN 0.221 nan 8.380 nan 0.000 0.512 322 Y N 1.325 121.648 120.300 0.039 0.000 2.331 322 Y HA 0.527 5.063 4.550 -0.023 0.000 0.326 322 Y C -1.004 174.926 175.900 0.050 0.000 1.020 322 Y CA -0.893 57.227 58.100 0.033 0.000 1.136 322 Y CB 1.392 39.864 38.460 0.020 0.000 1.157 322 Y HN 0.115 nan 8.280 nan 0.000 0.444 323 S N 4.894 120.434 115.700 -0.266 0.000 2.570 323 S HA 0.884 5.340 4.470 -0.023 0.000 0.286 323 S C -2.097 172.354 174.600 -0.248 0.000 1.099 323 S CA -0.624 57.501 58.200 -0.124 0.000 0.913 323 S CB 1.879 65.058 63.200 -0.035 0.000 1.085 323 S HN 0.466 nan 8.310 nan 0.000 0.480 324 V N 3.890 123.769 119.914 -0.058 0.000 2.588 324 V HA 0.512 4.618 4.120 -0.023 0.000 0.304 324 V C -0.417 175.686 176.094 0.016 0.000 1.042 324 V CA -0.662 61.619 62.300 -0.031 0.000 0.877 324 V CB 1.835 33.687 31.823 0.049 0.000 0.996 324 V HN 1.027 nan 8.190 nan 0.000 0.425 325 M N 4.098 123.680 119.600 -0.030 0.000 2.157 325 M HA 0.470 4.937 4.480 -0.023 0.000 0.354 325 M C -1.176 175.118 176.300 -0.011 0.000 1.170 325 M CA -0.309 54.949 55.300 -0.070 0.000 1.060 325 M CB 0.898 33.400 32.600 -0.164 0.000 1.615 325 M HN 0.557 nan 8.290 nan 0.000 0.460 326 D N 5.274 125.657 120.400 -0.028 0.000 2.256 326 D HA 0.401 5.027 4.640 -0.023 0.000 0.240 326 D C -1.042 175.214 176.300 -0.073 0.000 1.062 326 D CA -0.175 53.815 54.000 -0.017 0.000 0.832 326 D CB 1.505 42.323 40.800 0.030 0.000 1.135 326 D HN 0.507 nan 8.370 nan 0.000 0.484 327 I N 2.766 123.326 120.570 -0.017 0.000 2.315 327 I HA 0.191 4.348 4.170 -0.023 0.000 0.291 327 I C -0.349 175.761 176.117 -0.012 0.000 1.006 327 I CA -0.146 61.140 61.300 -0.024 0.000 1.265 327 I CB 0.858 38.900 38.000 0.070 0.000 1.387 327 I HN 0.302 nan 8.210 nan 0.000 0.475 328 c N 4.440 123.020 118.600 -0.033 0.000 2.369 328 c HA 0.544 5.100 4.570 -0.023 0.000 0.322 328 c C -0.513 173.714 174.090 0.229 0.000 1.258 328 c CA -0.861 55.516 56.329 0.079 0.000 1.487 328 c CB 0.718 43.250 42.510 0.037 0.000 2.165 328 c HN 0.616 nan 8.230 nan 0.000 0.483 329 D N 0.731 121.255 120.400 0.208 0.000 2.256 329 D HA 0.362 4.988 4.640 -0.023 0.000 0.246 329 D C -0.501 175.741 176.300 -0.097 0.000 1.042 329 D CA -0.182 53.890 54.000 0.120 0.000 0.841 329 D CB 0.803 41.625 40.800 0.036 0.000 1.223 329 D HN 0.546 nan 8.370 nan 0.000 0.470 330 Y N 1.574 121.462 120.300 -0.686 0.000 2.480 330 Y HA 0.251 4.787 4.550 -0.023 0.000 0.338 330 Y C -0.198 175.414 175.900 -0.480 0.000 1.220 330 Y CA 0.315 57.734 58.100 -1.136 0.000 1.430 330 Y CB 0.748 38.451 38.460 -1.261 0.000 1.311 330 Y HN 0.240 nan 8.280 nan 0.000 0.575 331 D N 3.718 123.493 120.400 -1.042 0.000 2.476 331 D HA 0.189 4.815 4.640 -0.023 0.000 0.251 331 D C 0.016 175.857 176.300 -0.765 0.000 1.291 331 D CA -0.393 53.231 54.000 -0.626 0.000 0.939 331 D CB 1.069 41.645 40.800 -0.372 0.000 1.221 331 D HN 0.691 nan 8.370 nan 0.000 0.567 332 E N 0.966 120.892 120.200 -0.457 0.000 2.023 332 E HA -0.180 4.156 4.350 -0.023 0.000 0.196 332 E C 1.772 178.268 176.600 -0.173 0.000 1.003 332 E CA 1.914 58.170 56.400 -0.239 0.000 0.809 332 E CB 0.039 29.733 29.700 -0.010 0.000 0.755 332 E HN 0.587 nan 8.360 nan 0.000 0.449 333 S N 0.236 115.858 115.700 -0.130 0.000 2.469 333 S HA -0.162 4.294 4.470 -0.023 0.000 0.238 333 S C 1.967 176.511 174.600 -0.093 0.000 0.998 333 S CA 1.265 59.415 58.200 -0.084 0.000 0.957 333 S CB -0.222 62.940 63.200 -0.063 0.000 0.764 333 S HN 0.283 nan 8.310 nan 0.000 0.514 334 S N 0.011 115.622 115.700 -0.149 0.000 2.545 334 S HA 0.513 4.969 4.470 -0.023 0.000 0.232 334 S C 1.808 176.329 174.600 -0.130 0.000 1.070 334 S CA 0.806 58.931 58.200 -0.124 0.000 0.923 334 S CB -0.349 62.773 63.200 -0.129 0.000 0.806 334 S HN 1.338 nan 8.310 nan 0.000 0.506 335 G N 1.635 110.283 108.800 -0.254 0.000 2.284 335 G HA2 -0.272 3.674 3.960 -0.023 0.000 0.247 335 G HA3 -0.272 3.674 3.960 -0.023 0.000 0.247 335 G C 0.361 175.143 174.900 -0.197 0.000 1.012 335 G CA 0.253 45.232 45.100 -0.202 0.000 0.618 335 G HN 0.659 nan 8.290 nan 0.000 0.521 336 R N -0.964 119.435 120.500 -0.168 0.000 2.580 336 R HA 0.529 4.856 4.340 -0.023 0.000 0.267 336 R C -0.435 175.769 176.300 -0.160 0.000 1.125 336 R CA -0.345 55.742 56.100 -0.022 0.000 1.188 336 R CB 0.347 30.661 30.300 0.022 0.000 1.155 336 R HN 0.239 nan 8.270 nan 0.000 0.586 337 W N 0.159 121.439 121.300 -0.034 0.000 2.520 337 W HA 0.365 5.011 4.660 -0.023 0.000 0.323 337 W C -0.513 175.975 176.519 -0.051 0.000 1.062 337 W CA -0.418 56.906 57.345 -0.036 0.000 1.215 337 W CB 1.063 30.517 29.460 -0.011 0.000 1.340 337 W HN 0.263 nan 8.180 nan 0.000 0.516 338 N N 1.990 120.773 118.700 0.137 0.000 2.399 338 N HA 0.359 5.085 4.740 -0.023 0.000 0.280 338 N C -1.550 174.003 175.510 0.072 0.000 1.008 338 N CA -0.548 52.542 53.050 0.066 0.000 0.894 338 N CB 1.291 39.778 38.487 -0.001 0.000 1.273 338 N HN 0.228 nan 8.380 nan 0.000 0.486 339 c N 3.395 122.022 118.600 0.045 0.000 2.176 339 c HA 0.366 4.922 4.570 -0.023 0.000 0.329 339 c C 0.279 174.369 174.090 -0.000 0.000 1.113 339 c CA -1.183 55.159 56.329 0.021 0.000 1.562 339 c CB -1.171 41.341 42.510 0.003 0.000 2.040 339 c HN 0.424 nan 8.230 nan 0.000 0.460 340 L N 3.246 124.471 121.223 0.003 0.000 2.499 340 L HA 0.034 4.360 4.340 -0.023 0.000 0.273 340 L C 1.615 178.471 176.870 -0.023 0.000 1.195 340 L CA 0.501 55.335 54.840 -0.010 0.000 0.882 340 L CB -0.105 41.952 42.059 -0.003 0.000 1.133 340 L HN 0.564 nan 8.230 nan 0.000 0.483 341 V N 4.242 124.136 119.914 -0.033 0.000 2.324 341 V HA -0.340 3.767 4.120 -0.023 0.000 0.250 341 V C 2.347 178.406 176.094 -0.058 0.000 1.060 341 V CA 2.193 64.466 62.300 -0.045 0.000 1.042 341 V CB -0.582 31.215 31.823 -0.042 0.000 0.650 341 V HN 1.008 nan 8.190 nan 0.000 0.450 342 A N -0.299 122.491 122.820 -0.049 0.000 2.178 342 A HA -0.143 4.163 4.320 -0.023 0.000 0.218 342 A C 2.008 179.538 177.584 -0.090 0.000 1.157 342 A CA 1.145 53.146 52.037 -0.060 0.000 0.689 342 A CB -0.323 18.657 19.000 -0.034 0.000 0.787 342 A HN 0.606 nan 8.150 nan 0.000 0.465 343 R N -0.337 120.120 120.500 -0.072 0.000 2.468 343 R HA 0.173 4.499 4.340 -0.023 0.000 0.280 343 R C -0.179 176.045 176.300 -0.126 0.000 0.963 343 R CA -0.169 55.895 56.100 -0.059 0.000 1.083 343 R CB 0.130 30.461 30.300 0.052 0.000 1.200 343 R HN 0.585 nan 8.270 nan 0.000 0.541 344 Q N 1.058 120.748 119.800 -0.183 0.000 2.340 344 Q HA 0.127 4.453 4.340 -0.023 0.000 0.249 344 Q C -0.521 175.262 176.000 -0.362 0.000 0.957 344 Q CA 0.356 56.065 55.803 -0.157 0.000 0.882 344 Q CB 0.903 29.585 28.738 -0.093 0.000 1.235 344 Q HN 0.217 nan 8.270 nan 0.000 0.439 345 H N 2.661 121.709 119.070 -0.037 0.000 2.970 345 H HA 0.308 4.850 4.556 -0.023 0.000 0.315 345 H C -0.634 174.632 175.328 -0.103 0.000 0.992 345 H CA -0.410 55.609 56.048 -0.049 0.000 1.363 345 H CB 0.675 30.392 29.762 -0.074 0.000 1.532 345 H HN 0.510 nan 8.280 nan 0.000 0.514 346 I N 2.423 122.977 120.570 -0.027 0.000 2.496 346 I HA 0.032 4.188 4.170 -0.023 0.000 0.285 346 I C 0.651 176.690 176.117 -0.129 0.000 1.080 346 I CA 0.446 61.648 61.300 -0.164 0.000 1.404 346 I CB 0.755 38.648 38.000 -0.179 0.000 1.403 346 I HN 0.458 nan 8.210 nan 0.000 0.539 347 E N 8.730 128.803 120.200 -0.212 0.000 2.220 347 E HA 0.447 4.783 4.350 -0.023 0.000 0.256 347 E C -1.029 175.469 176.600 -0.170 0.000 0.881 347 E CA -0.674 55.650 56.400 -0.126 0.000 0.766 347 E CB 1.215 30.865 29.700 -0.084 0.000 1.187 347 E HN 0.620 nan 8.360 nan 0.000 0.419 348 M N 1.459 120.996 119.600 -0.105 0.000 2.796 348 M HA 0.684 5.150 4.480 -0.023 0.000 0.303 348 M C -1.077 175.215 176.300 -0.014 0.000 1.240 348 M CA -0.798 54.467 55.300 -0.058 0.000 0.831 348 M CB 2.336 34.932 32.600 -0.006 0.000 1.750 348 M HN 0.242 nan 8.290 nan 0.000 0.484 349 S N -0.785 114.913 115.700 -0.004 0.000 2.548 349 S HA 0.547 5.003 4.470 -0.023 0.000 0.276 349 S C 0.034 174.617 174.600 -0.029 0.000 1.129 349 S CA -0.147 58.032 58.200 -0.035 0.000 0.931 349 S CB 1.848 64.982 63.200 -0.111 0.000 1.068 349 S HN 0.883 nan 8.310 nan 0.000 0.480 350 T N 0.123 114.660 114.554 -0.028 0.000 3.023 350 T HA 0.044 4.380 4.350 -0.023 0.000 0.249 350 T C 1.846 176.517 174.700 -0.049 0.000 1.050 350 T CA 0.923 63.009 62.100 -0.023 0.000 1.088 350 T CB -0.510 68.357 68.868 -0.002 0.000 0.946 350 T HN 0.706 nan 8.240 nan 0.000 0.480 351 T N -0.799 113.715 114.554 -0.066 0.000 3.014 351 T HA 0.482 4.818 4.350 -0.023 0.000 0.263 351 T C 1.238 175.774 174.700 -0.273 0.000 1.078 351 T CA 0.658 62.718 62.100 -0.066 0.000 1.135 351 T CB -0.117 68.789 68.868 0.064 0.000 0.895 351 T HN 0.594 nan 8.240 nan 0.000 0.480 352 G N 0.127 108.571 108.800 -0.593 0.000 2.726 352 G HA2 0.486 4.432 3.960 -0.023 0.000 0.198 352 G HA3 0.486 4.432 3.960 -0.023 0.000 0.198 352 G C -1.577 173.032 174.900 -0.486 0.000 1.195 352 G CA -0.656 43.894 45.100 -0.916 0.000 0.951 352 G HN 0.537 nan 8.290 nan 0.000 0.532 353 W N 0.060 121.080 121.300 -0.467 0.000 2.260 353 W HA 0.724 5.370 4.660 -0.023 0.000 0.366 353 W C 0.132 176.594 176.519 -0.095 0.000 1.315 353 W CA -1.085 56.136 57.345 -0.208 0.000 1.458 353 W CB 0.807 30.147 29.460 -0.201 0.000 1.255 353 W HN 0.509 nan 8.180 nan 0.000 0.671 354 V N 2.981 122.967 119.914 0.119 0.000 2.481 354 V HA 0.815 4.921 4.120 -0.023 0.000 0.286 354 V C 0.425 176.591 176.094 0.121 0.000 1.042 354 V CA 0.322 62.645 62.300 0.038 0.000 0.928 354 V CB 0.286 32.122 31.823 0.023 0.000 0.986 354 V HN 1.868 nan 8.190 nan 0.000 0.462 355 G N 5.766 114.592 108.800 0.044 0.000 2.829 355 G HA2 -0.211 3.735 3.960 -0.023 0.000 0.628 355 G HA3 -0.211 3.735 3.960 -0.023 0.000 0.628 355 G C 0.206 175.188 174.900 0.136 0.000 1.412 355 G CA 0.324 45.480 45.100 0.094 0.000 0.864 355 G HN 0.984 nan 8.290 nan 0.000 0.544 356 R N -0.855 119.728 120.500 0.139 0.000 2.057 356 R HA 0.157 4.483 4.340 -0.023 0.000 0.229 356 R C 1.975 178.245 176.300 -0.050 0.000 1.136 356 R CA 2.229 58.363 56.100 0.055 0.000 0.952 356 R CB -0.089 30.261 30.300 0.083 0.000 0.848 356 R HN 0.503 nan 8.270 nan 0.000 0.430 357 F N -1.046 119.064 119.950 0.267 0.000 2.856 357 F HA 0.254 4.767 4.527 -0.023 0.000 0.338 357 F C 0.406 176.240 175.800 0.055 0.000 1.005 357 F CA -0.554 57.539 58.000 0.154 0.000 1.155 357 F CB 0.708 39.789 39.000 0.135 0.000 1.010 357 F HN -0.160 nan 8.300 nan 0.000 0.587 358 R N -0.047 120.602 120.500 0.249 0.000 2.739 358 R HA 0.516 4.842 4.340 -0.023 0.000 0.271 358 R C -3.308 173.052 176.300 0.099 0.000 1.010 358 R CA -2.047 54.114 56.100 0.102 0.000 0.897 358 R CB 0.585 30.895 30.300 0.018 0.000 1.236 358 R HN -0.321 nan 8.270 nan 0.000 0.466 359 P HA -0.066 nan 4.420 nan 0.000 0.263 359 P C -0.173 177.141 177.300 0.023 0.000 1.175 359 P CA 0.285 63.398 63.100 0.021 0.000 0.761 359 P CB 0.582 32.265 31.700 -0.028 0.000 0.794 360 S N 1.843 117.569 115.700 0.043 0.000 2.593 360 S HA 0.186 4.643 4.470 -0.023 0.000 0.269 360 S C 0.229 174.841 174.600 0.019 0.000 1.334 360 S CA -0.746 57.497 58.200 0.072 0.000 1.015 360 S CB 0.406 63.676 63.200 0.115 0.000 0.912 360 S HN 0.518 nan 8.310 nan 0.000 0.541 361 E N 1.006 121.233 120.200 0.045 0.000 2.301 361 E HA 0.375 4.712 4.350 -0.023 0.000 0.275 361 E C -2.774 173.785 176.600 -0.070 0.000 1.030 361 E CA -2.425 53.948 56.400 -0.045 0.000 0.852 361 E CB -0.024 29.649 29.700 -0.045 0.000 1.060 361 E HN 0.396 nan 8.360 nan 0.000 0.401 362 P HA 0.150 nan 4.420 nan 0.000 0.274 362 P C -0.603 176.543 177.300 -0.257 0.000 1.237 362 P CA -0.087 62.835 63.100 -0.296 0.000 0.793 362 P CB 0.571 31.761 31.700 -0.849 0.000 0.977 363 H N 1.360 120.431 119.070 0.002 0.000 2.953 363 H HA 0.280 4.822 4.556 -0.023 0.000 0.290 363 H C -0.372 175.064 175.328 0.181 0.000 1.113 363 H CA -0.345 55.799 56.048 0.160 0.000 1.454 363 H CB 0.117 30.008 29.762 0.215 0.000 1.525 363 H HN 0.290 nan 8.280 nan 0.000 0.505 364 F N 2.067 122.192 119.950 0.291 0.000 2.429 364 F HA 0.037 4.550 4.527 -0.023 0.000 0.348 364 F C 1.626 177.606 175.800 0.300 0.000 1.109 364 F CA -0.384 57.786 58.000 0.283 0.000 1.232 364 F CB 0.872 39.976 39.000 0.173 0.000 1.157 364 F HN 0.344 nan 8.300 nan 0.000 0.564 365 T N 1.134 115.967 114.554 0.465 0.000 2.903 365 T HA 0.048 4.384 4.350 -0.023 0.000 0.314 365 T C 1.334 176.224 174.700 0.317 0.000 1.078 365 T CA -0.709 61.617 62.100 0.376 0.000 1.114 365 T CB 0.667 69.738 68.868 0.337 0.000 0.987 365 T HN 0.743 nan 8.240 nan 0.000 0.548 366 L N 1.060 122.428 121.223 0.242 0.000 2.103 366 L HA -0.224 4.102 4.340 -0.023 0.000 0.215 366 L C 2.325 179.302 176.870 0.178 0.000 1.080 366 L CA 2.487 57.441 54.840 0.192 0.000 0.764 366 L CB -0.504 41.644 42.059 0.148 0.000 0.890 366 L HN 0.980 nan 8.230 nan 0.000 0.435 367 D N -1.186 119.322 120.400 0.180 0.000 2.355 367 D HA -0.000 4.626 4.640 -0.023 0.000 0.218 367 D C 1.571 177.974 176.300 0.171 0.000 1.004 367 D CA 0.811 54.904 54.000 0.155 0.000 0.880 367 D CB -0.166 40.716 40.800 0.136 0.000 0.911 367 D HN 0.441 nan 8.370 nan 0.000 0.528 368 G N 0.925 109.865 108.800 0.234 0.000 2.175 368 G HA2 -0.375 3.572 3.960 -0.023 0.000 0.265 368 G HA3 -0.375 3.572 3.960 -0.023 0.000 0.265 368 G C 0.965 176.054 174.900 0.314 0.000 0.979 368 G CA 0.528 45.784 45.100 0.261 0.000 0.663 368 G HN 0.389 nan 8.290 nan 0.000 0.533 369 N N 0.080 118.933 118.700 0.255 0.000 2.422 369 N HA 0.248 4.974 4.740 -0.023 0.000 0.181 369 N C 0.625 176.243 175.510 0.179 0.000 1.080 369 N CA 1.063 54.235 53.050 0.203 0.000 0.893 369 N CB 0.366 38.937 38.487 0.140 0.000 0.973 369 N HN 0.410 nan 8.380 nan 0.000 0.456 370 S N -0.636 115.182 115.700 0.196 0.000 2.564 370 S HA 0.676 5.132 4.470 -0.023 0.000 0.274 370 S C -1.269 173.309 174.600 -0.036 0.000 1.124 370 S CA -0.844 57.301 58.200 -0.091 0.000 0.869 370 S CB 1.513 64.601 63.200 -0.187 0.000 1.105 370 S HN 0.212 nan 8.310 nan 0.000 0.472 371 F N -0.446 119.175 119.950 -0.549 0.000 2.626 371 F HA 0.799 5.312 4.527 -0.023 0.000 0.311 371 F C -1.896 173.610 175.800 -0.488 0.000 1.088 371 F CA -1.305 56.359 58.000 -0.560 0.000 0.949 371 F CB 0.706 39.017 39.000 -1.147 0.000 1.322 371 F HN 0.475 nan 8.300 nan 0.000 0.461 372 Y N 1.466 121.801 120.300 0.057 0.000 2.387 372 Y HA 0.637 5.173 4.550 -0.023 0.000 0.336 372 Y C -0.198 175.834 175.900 0.221 0.000 1.067 372 Y CA -0.683 57.475 58.100 0.096 0.000 1.114 372 Y CB 2.024 40.553 38.460 0.115 0.000 1.208 372 Y HN 0.767 nan 8.280 nan 0.000 0.458 373 K N 1.732 122.329 120.400 0.329 0.000 2.551 373 K HA 0.577 4.883 4.320 -0.023 0.000 0.269 373 K C -1.923 174.811 176.600 0.223 0.000 0.949 373 K CA -0.724 55.736 56.287 0.290 0.000 0.849 373 K CB 1.416 34.050 32.500 0.224 0.000 1.411 373 K HN 0.657 nan 8.250 nan 0.000 0.432 374 I N 4.270 124.955 120.570 0.193 0.000 2.452 374 I HA 0.255 4.411 4.170 -0.023 0.000 0.287 374 I C 0.109 176.322 176.117 0.160 0.000 1.079 374 I CA -0.344 61.054 61.300 0.163 0.000 1.387 374 I CB 0.249 38.332 38.000 0.139 0.000 1.404 374 I HN 0.586 nan 8.210 nan 0.000 0.522 375 I N 2.264 122.955 120.570 0.201 0.000 2.894 375 I HA 0.471 4.627 4.170 -0.023 0.000 0.302 375 I C -0.161 176.078 176.117 0.203 0.000 1.188 375 I CA -0.725 60.687 61.300 0.187 0.000 1.014 375 I CB 2.160 40.288 38.000 0.214 0.000 1.242 375 I HN 0.408 nan 8.210 nan 0.000 0.430 376 S N 3.183 118.937 115.700 0.091 0.000 2.549 376 S HA 0.157 4.614 4.470 -0.023 0.000 0.286 376 S C 0.102 174.762 174.600 0.100 0.000 1.314 376 S CA -0.252 57.956 58.200 0.013 0.000 1.062 376 S CB -0.248 62.907 63.200 -0.075 0.000 0.865 376 S HN 0.870 nan 8.310 nan 0.000 0.498 377 N N 3.221 121.893 118.700 -0.048 0.000 2.431 377 N HA 0.163 4.889 4.740 -0.023 0.000 0.289 377 N C 1.171 176.617 175.510 -0.107 0.000 1.277 377 N CA -0.280 52.644 53.050 -0.210 0.000 0.972 377 N CB -0.075 37.866 38.487 -0.910 0.000 1.143 377 N HN 0.665 nan 8.380 nan 0.000 0.578 378 E N -0.265 119.860 120.200 -0.125 0.000 2.153 378 E HA -0.240 4.096 4.350 -0.023 0.000 0.194 378 E C 0.628 177.188 176.600 -0.066 0.000 0.988 378 E CA 1.427 57.789 56.400 -0.064 0.000 0.811 378 E CB -0.402 29.266 29.700 -0.053 0.000 0.746 378 E HN 0.744 nan 8.360 nan 0.000 0.466 379 E N 0.059 120.216 120.200 -0.071 0.000 2.427 379 E HA 0.015 4.351 4.350 -0.023 0.000 0.196 379 E C 0.734 177.331 176.600 -0.004 0.000 1.028 379 E CA 0.683 57.091 56.400 0.014 0.000 0.864 379 E CB 0.033 29.786 29.700 0.088 0.000 0.813 379 E HN 0.590 nan 8.360 nan 0.000 0.514 380 G N 0.719 109.456 108.800 -0.105 0.000 2.159 380 G HA2 -0.258 3.688 3.960 -0.023 0.000 0.227 380 G HA3 -0.258 3.688 3.960 -0.023 0.000 0.227 380 G C -0.280 174.351 174.900 -0.448 0.000 0.986 380 G CA -0.092 44.840 45.100 -0.281 0.000 0.651 380 G HN 0.189 nan 8.290 nan 0.000 0.523 381 Y N 0.607 120.780 120.300 -0.212 0.000 2.342 381 Y HA 0.628 5.164 4.550 -0.023 0.000 0.334 381 Y C 1.207 176.937 175.900 -0.284 0.000 1.067 381 Y CA -0.808 57.140 58.100 -0.254 0.000 1.128 381 Y CB 0.972 39.283 38.460 -0.247 0.000 1.200 381 Y HN 0.048 nan 8.280 nan 0.000 0.464 382 R N 3.946 124.313 120.500 -0.222 0.000 2.242 382 R HA 0.239 4.565 4.340 -0.023 0.000 0.334 382 R C -0.747 175.311 176.300 -0.403 0.000 1.071 382 R CA -0.041 55.944 56.100 -0.191 0.000 0.922 382 R CB 0.025 30.263 30.300 -0.103 0.000 1.023 382 R HN 0.667 nan 8.270 nan 0.000 0.458 383 H N 1.670 120.737 119.070 -0.005 0.000 2.949 383 H HA 0.337 4.880 4.556 -0.023 0.000 0.356 383 H C -0.118 175.303 175.328 0.156 0.000 1.212 383 H CA -0.994 55.034 56.048 -0.033 0.000 1.136 383 H CB 1.593 31.224 29.762 -0.218 0.000 1.869 383 H HN 0.312 nan 8.280 nan 0.000 0.556 384 I N 1.294 121.995 120.570 0.219 0.000 2.396 384 I HA 0.029 4.185 4.170 -0.023 0.000 0.289 384 I C 0.300 176.476 176.117 0.100 0.000 1.056 384 I CA 0.172 61.556 61.300 0.140 0.000 1.365 384 I CB 0.238 38.256 38.000 0.030 0.000 1.407 384 I HN 0.128 nan 8.210 nan 0.000 0.509 385 c N 6.888 125.448 118.600 -0.066 0.000 2.355 385 c HA 0.359 4.915 4.570 -0.023 0.000 0.332 385 c C -0.254 173.625 174.090 -0.351 0.000 1.255 385 c CA -0.575 55.449 56.329 -0.508 0.000 1.792 385 c CB 0.582 42.551 42.510 -0.901 0.000 2.300 385 c HN 0.663 nan 8.230 nan 0.000 0.515 386 Y N 4.394 124.296 120.300 -0.664 0.000 2.341 386 Y HA 0.621 5.157 4.550 -0.023 0.000 0.340 386 Y C -0.906 174.464 175.900 -0.883 0.000 0.997 386 Y CA -0.301 57.343 58.100 -0.761 0.000 1.149 386 Y CB 0.310 38.356 38.460 -0.691 0.000 1.171 386 Y HN 0.648 nan 8.280 nan 0.000 0.494 387 F N 3.910 122.932 119.950 -1.548 0.000 2.492 387 F HA 0.451 4.964 4.527 -0.023 0.000 0.327 387 F C -0.199 174.802 175.800 -1.333 0.000 1.079 387 F CA -0.763 56.396 58.000 -1.401 0.000 0.967 387 F CB 1.854 39.664 39.000 -1.983 0.000 1.169 387 F HN 0.369 nan 8.300 nan 0.000 0.472 388 Q N 2.138 121.610 119.800 -0.547 0.000 2.271 388 Q HA 0.289 4.616 4.340 -0.023 0.000 0.258 388 Q C 0.595 176.589 176.000 -0.010 0.000 0.936 388 Q CA -0.680 54.954 55.803 -0.281 0.000 0.909 388 Q CB 2.235 30.892 28.738 -0.135 0.000 1.253 388 Q HN 0.618 nan 8.270 nan 0.000 0.440 389 I N 1.710 122.341 120.570 0.101 0.000 2.087 389 I HA -0.316 3.840 4.170 -0.023 0.000 0.240 389 I C 0.844 177.110 176.117 0.247 0.000 1.054 389 I CA 1.868 63.345 61.300 0.294 0.000 1.311 389 I CB -0.060 38.094 38.000 0.256 0.000 1.024 389 I HN 0.676 nan 8.210 nan 0.000 0.402 390 D N 1.145 121.622 120.400 0.127 0.000 2.676 390 D HA 0.118 4.744 4.640 -0.023 0.000 0.239 390 D C 0.077 176.406 176.300 0.049 0.000 1.213 390 D CA 0.383 54.428 54.000 0.075 0.000 0.835 390 D CB 0.035 40.868 40.800 0.054 0.000 1.009 390 D HN 0.105 nan 8.370 nan 0.000 0.479 391 K N 0.040 120.483 120.400 0.072 0.000 2.556 391 K HA 0.162 4.468 4.320 -0.023 0.000 0.274 391 K C 0.597 177.246 176.600 0.081 0.000 0.966 391 K CA -0.551 55.760 56.287 0.039 0.000 0.865 391 K CB 2.048 34.549 32.500 0.002 0.000 1.444 391 K HN -0.166 nan 8.250 nan 0.000 0.433 392 K N -0.411 120.005 120.400 0.027 0.000 2.128 392 K HA 0.085 4.391 4.320 -0.023 0.000 0.202 392 K C 0.096 176.734 176.600 0.063 0.000 1.050 392 K CA 0.814 57.122 56.287 0.035 0.000 0.966 392 K CB 0.094 32.589 32.500 -0.009 0.000 0.759 392 K HN 0.364 nan 8.250 nan 0.000 0.454 393 D N 1.749 122.128 120.400 -0.034 0.000 2.225 393 D HA 0.159 4.785 4.640 -0.023 0.000 0.249 393 D C 0.067 176.157 176.300 -0.350 0.000 1.052 393 D CA -0.459 53.458 54.000 -0.139 0.000 0.909 393 D CB 1.656 42.382 40.800 -0.123 0.000 1.186 393 D HN 0.351 nan 8.370 nan 0.000 0.431 394 c N 0.472 118.678 118.600 -0.658 0.000 2.352 394 c HA 0.899 5.455 4.570 -0.023 0.000 0.387 394 c C 0.391 174.086 174.090 -0.658 0.000 1.294 394 c CA -0.655 55.042 56.329 -1.053 0.000 2.137 394 c CB 0.844 42.071 42.510 -2.138 0.000 2.146 394 c HN 0.632 nan 8.230 nan 0.000 0.559 395 T N -0.748 113.435 114.554 -0.619 0.000 2.881 395 T HA 0.604 4.940 4.350 -0.023 0.000 0.290 395 T C -1.083 173.335 174.700 -0.470 0.000 1.000 395 T CA -0.263 61.597 62.100 -0.401 0.000 0.978 395 T CB 0.622 69.347 68.868 -0.237 0.000 0.997 395 T HN 0.542 nan 8.240 nan 0.000 0.443 396 F N 3.755 123.525 119.950 -0.300 0.000 2.412 396 F HA 0.417 4.930 4.527 -0.023 0.000 0.348 396 F C 1.501 177.053 175.800 -0.414 0.000 1.102 396 F CA -1.036 56.789 58.000 -0.293 0.000 1.196 396 F CB 1.072 39.930 39.000 -0.236 0.000 1.144 396 F HN 0.683 nan 8.300 nan 0.000 0.541 397 I N -1.104 119.344 120.570 -0.202 0.000 4.139 397 I HA 0.264 4.420 4.170 -0.023 0.000 0.335 397 I C 0.135 176.190 176.117 -0.103 0.000 1.327 397 I CA -0.047 60.988 61.300 -0.442 0.000 1.112 397 I CB 0.074 37.759 38.000 -0.525 0.000 1.058 397 I HN 0.449 nan 8.210 nan 0.000 0.396 398 T N 0.046 114.541 114.554 -0.099 0.000 2.916 398 T HA 0.723 5.060 4.350 -0.023 0.000 0.292 398 T C -0.578 173.714 174.700 -0.681 0.000 1.055 398 T CA -0.674 61.310 62.100 -0.193 0.000 1.009 398 T CB 2.733 71.554 68.868 -0.078 0.000 1.118 398 T HN 0.453 nan 8.240 nan 0.000 0.497 399 K N -0.346 119.468 120.400 -0.977 0.000 2.507 399 K HA 0.828 5.135 4.320 -0.023 0.000 0.284 399 K C -0.376 175.494 176.600 -1.216 0.000 1.038 399 K CA -0.941 54.494 56.287 -1.420 0.000 0.903 399 K CB 1.367 33.471 32.500 -0.659 0.000 1.531 399 K HN 1.570 nan 8.250 nan 0.000 0.430 400 G N -0.178 108.080 108.800 -0.903 0.000 2.357 400 G HA2 0.021 3.967 3.960 -0.023 0.000 0.643 400 G HA3 0.021 3.967 3.960 -0.023 0.000 0.643 400 G C -0.624 173.755 174.900 -0.869 0.000 1.358 400 G CA -0.380 44.327 45.100 -0.655 0.000 0.986 400 G HN 1.026 nan 8.290 nan 0.000 0.620 401 T N -0.314 113.880 114.554 -0.600 0.000 4.098 401 T HA 0.558 4.894 4.350 -0.023 0.000 0.291 401 T C 0.259 174.858 174.700 -0.169 0.000 1.440 401 T CA 0.748 62.356 62.100 -0.820 0.000 1.164 401 T CB -0.976 67.629 68.868 -0.438 0.000 1.313 401 T HN 1.714 nan 8.240 nan 0.000 0.951 402 W N -0.361 120.829 121.300 -0.183 0.000 2.929 402 W HA 0.579 5.225 4.660 -0.023 0.000 0.363 402 W C -1.659 174.879 176.519 0.032 0.000 1.168 402 W CA -0.926 56.444 57.345 0.042 0.000 1.163 402 W CB 0.526 29.995 29.460 0.015 0.000 1.455 402 W HN 0.215 nan 8.180 nan 0.000 0.568 403 E N 0.934 121.341 120.200 0.345 0.000 2.317 403 E HA 0.434 4.770 4.350 -0.023 0.000 0.270 403 E C -0.994 175.755 176.600 0.248 0.000 0.885 403 E CA -1.153 55.248 56.400 0.002 0.000 0.760 403 E CB 3.434 33.186 29.700 0.086 0.000 1.227 403 E HN 0.185 nan 8.360 nan 0.000 0.434 404 V N 4.137 124.070 119.914 0.031 0.000 2.508 404 V HA -0.021 4.086 4.120 -0.023 0.000 0.281 404 V C 1.211 177.425 176.094 0.200 0.000 1.041 404 V CA 0.094 62.524 62.300 0.217 0.000 1.016 404 V CB 0.416 32.274 31.823 0.058 0.000 0.984 404 V HN 0.696 nan 8.190 nan 0.000 0.478 405 I N 3.214 123.925 120.570 0.236 0.000 2.339 405 I HA 0.247 4.403 4.170 -0.023 0.000 0.245 405 I C 1.154 177.391 176.117 0.199 0.000 1.096 405 I CA 1.141 62.551 61.300 0.183 0.000 1.408 405 I CB -0.757 37.282 38.000 0.065 0.000 1.092 405 I HN 0.747 nan 8.210 nan 0.000 0.423 406 G N 0.668 109.594 108.800 0.211 0.000 2.759 406 G HA2 0.543 4.489 3.960 -0.023 0.000 0.297 406 G HA3 0.543 4.489 3.960 -0.023 0.000 0.297 406 G C -1.093 173.923 174.900 0.193 0.000 1.434 406 G CA -0.502 44.720 45.100 0.204 0.000 0.980 406 G HN -0.026 nan 8.290 nan 0.000 0.531 407 I N 2.076 122.696 120.570 0.083 0.000 2.436 407 I HA 0.141 4.297 4.170 -0.023 0.000 0.289 407 I C 0.892 176.991 176.117 -0.030 0.000 1.083 407 I CA -0.222 61.020 61.300 -0.096 0.000 1.372 407 I CB 1.277 38.913 38.000 -0.606 0.000 1.408 407 I HN 0.504 nan 8.210 nan 0.000 0.516 408 E N 5.269 125.523 120.200 0.091 0.000 2.307 408 E HA 0.303 4.639 4.350 -0.023 0.000 0.195 408 E C 0.214 176.858 176.600 0.073 0.000 0.975 408 E CA 0.174 56.683 56.400 0.181 0.000 0.878 408 E CB 0.813 30.697 29.700 0.306 0.000 0.845 408 E HN 0.681 nan 8.360 nan 0.000 0.488 409 A N 0.963 123.729 122.820 -0.090 0.000 2.589 409 A HA 0.553 4.859 4.320 -0.023 0.000 0.296 409 A C -1.725 175.815 177.584 -0.073 0.000 1.062 409 A CA -0.628 51.272 52.037 -0.229 0.000 0.686 409 A CB 1.493 19.899 19.000 -0.990 0.000 1.282 409 A HN 0.071 nan 8.150 nan 0.000 0.404 410 L N 3.563 124.780 121.223 -0.011 0.000 2.415 410 L HA 0.577 4.903 4.340 -0.023 0.000 0.268 410 L C 0.459 177.364 176.870 0.058 0.000 0.984 410 L CA 0.144 54.992 54.840 0.013 0.000 0.853 410 L CB 1.145 43.232 42.059 0.047 0.000 1.215 410 L HN 1.157 nan 8.230 nan 0.000 0.419 411 T N 0.871 115.468 114.554 0.072 0.000 3.204 411 T HA 0.269 4.605 4.350 -0.023 0.000 0.312 411 T C 1.098 175.840 174.700 0.070 0.000 1.254 411 T CA 0.416 62.568 62.100 0.087 0.000 0.913 411 T CB 0.628 69.577 68.868 0.135 0.000 2.143 411 T HN 0.610 nan 8.240 nan 0.000 0.569 412 S N -1.253 114.478 115.700 0.051 0.000 2.559 412 S HA 0.283 4.739 4.470 -0.023 0.000 0.226 412 S C 0.173 174.734 174.600 -0.065 0.000 1.000 412 S CA -0.284 57.929 58.200 0.023 0.000 0.948 412 S CB -0.019 63.204 63.200 0.037 0.000 0.870 412 S HN 0.653 nan 8.310 nan 0.000 0.497 413 D N -0.293 120.026 120.400 -0.135 0.000 2.473 413 D HA 0.298 4.925 4.640 -0.023 0.000 0.230 413 D C -0.828 175.032 176.300 -0.734 0.000 1.097 413 D CA 0.394 54.133 54.000 -0.436 0.000 0.861 413 D CB 0.498 41.004 40.800 -0.490 0.000 1.114 413 D HN 0.432 nan 8.370 nan 0.000 0.500 414 Y N 0.217 120.444 120.300 -0.122 0.000 2.479 414 Y HA 0.360 4.896 4.550 -0.023 0.000 0.338 414 Y C -0.967 174.734 175.900 -0.332 0.000 1.055 414 Y CA -1.219 56.703 58.100 -0.297 0.000 1.023 414 Y CB 1.996 40.144 38.460 -0.520 0.000 1.287 414 Y HN -0.232 nan 8.280 nan 0.000 0.447 415 L N 4.051 125.145 121.223 -0.215 0.000 2.289 415 L HA 0.465 4.791 4.340 -0.023 0.000 0.285 415 L C -1.497 175.216 176.870 -0.261 0.000 1.049 415 L CA -0.834 53.862 54.840 -0.241 0.000 0.804 415 L CB 0.249 42.128 42.059 -0.299 0.000 1.195 415 L HN 0.639 nan 8.230 nan 0.000 0.428 416 Y N 5.798 126.037 120.300 -0.102 0.000 2.352 416 Y HA 0.507 5.043 4.550 -0.023 0.000 0.339 416 Y C -0.295 175.639 175.900 0.057 0.000 0.992 416 Y CA -0.411 57.636 58.100 -0.089 0.000 1.100 416 Y CB 1.448 39.722 38.460 -0.310 0.000 1.192 416 Y HN 0.552 nan 8.280 nan 0.000 0.458 417 Y N 1.414 121.796 120.300 0.136 0.000 2.571 417 Y HA 0.748 5.284 4.550 -0.023 0.000 0.341 417 Y C -1.884 174.124 175.900 0.180 0.000 1.076 417 Y CA -1.720 56.458 58.100 0.129 0.000 1.029 417 Y CB 1.118 39.637 38.460 0.099 0.000 1.308 417 Y HN 0.303 nan 8.280 nan 0.000 0.461 418 I N 3.923 124.643 120.570 0.251 0.000 2.336 418 I HA 0.524 4.680 4.170 -0.023 0.000 0.292 418 I C -0.032 176.275 176.117 0.318 0.000 0.991 418 I CA -0.161 61.234 61.300 0.159 0.000 1.227 418 I CB 1.243 39.293 38.000 0.084 0.000 1.366 418 I HN 0.886 nan 8.210 nan 0.000 0.466 419 S N 4.432 120.312 115.700 0.301 0.000 2.697 419 S HA 0.477 4.933 4.470 -0.023 0.000 0.289 419 S C -0.106 174.576 174.600 0.135 0.000 1.149 419 S CA -0.797 57.583 58.200 0.301 0.000 0.850 419 S CB 1.916 65.394 63.200 0.463 0.000 1.151 419 S HN 0.568 nan 8.310 nan 0.000 0.491 420 N N -0.334 118.440 118.700 0.124 0.000 2.320 420 N HA 0.125 4.851 4.740 -0.023 0.000 0.237 420 N C 0.636 176.122 175.510 -0.040 0.000 1.129 420 N CA -0.206 52.865 53.050 0.034 0.000 0.854 420 N CB 0.096 38.601 38.487 0.030 0.000 1.083 420 N HN 0.820 nan 8.380 nan 0.000 0.504 421 E N 0.267 120.278 120.200 -0.315 0.000 2.051 421 E HA -0.211 4.125 4.350 -0.023 0.000 0.192 421 E C -0.317 176.105 176.600 -0.297 0.000 0.991 421 E CA 0.302 56.206 56.400 -0.827 0.000 0.799 421 E CB -0.151 28.480 29.700 -1.781 0.000 0.748 421 E HN 0.521 nan 8.360 nan 0.000 0.449 422 Y N 1.609 121.800 120.300 -0.181 0.000 2.881 422 Y HA -0.215 4.321 4.550 -0.023 0.000 0.335 422 Y C 0.566 176.426 175.900 -0.067 0.000 1.263 422 Y CA 1.101 59.153 58.100 -0.080 0.000 1.572 422 Y CB 0.255 38.691 38.460 -0.040 0.000 1.237 422 Y HN 0.132 nan 8.280 nan 0.000 0.568 423 K N 3.272 123.345 120.400 -0.545 0.000 3.426 423 K HA -0.271 4.035 4.320 -0.023 0.000 0.315 423 K C 0.790 177.306 176.600 -0.139 0.000 1.293 423 K CA 0.876 56.902 56.287 -0.434 0.000 0.955 423 K CB -1.737 30.433 32.500 -0.550 0.000 1.238 423 K HN 1.280 nan 8.250 nan 0.000 0.441 424 G N 0.775 109.518 108.800 -0.095 0.000 2.198 424 G HA2 -0.320 3.626 3.960 -0.023 0.000 0.260 424 G HA3 -0.320 3.626 3.960 -0.023 0.000 0.260 424 G C -0.020 174.892 174.900 0.020 0.000 1.025 424 G CA 0.685 45.791 45.100 0.009 0.000 0.769 424 G HN 0.284 nan 8.290 nan 0.000 0.507 425 M N 0.197 119.729 119.600 -0.113 0.000 2.111 425 M HA 0.262 4.729 4.480 -0.023 0.000 0.351 425 M C -1.359 174.721 176.300 -0.367 0.000 1.214 425 M CA -1.982 53.094 55.300 -0.373 0.000 1.120 425 M CB 1.607 34.037 32.600 -0.283 0.000 1.443 425 M HN -0.135 nan 8.290 nan 0.000 0.429 426 P HA -0.054 nan 4.420 nan 0.000 0.228 426 P C 1.090 178.268 177.300 -0.202 0.000 1.151 426 P CA 0.854 63.812 63.100 -0.237 0.000 0.770 426 P CB 0.224 31.797 31.700 -0.212 0.000 0.786 427 G N -1.131 107.472 108.800 -0.328 0.000 3.189 427 G HA2 0.271 4.217 3.960 -0.023 0.000 0.225 427 G HA3 0.271 4.217 3.960 -0.023 0.000 0.225 427 G C 0.629 175.539 174.900 0.016 0.000 1.159 427 G CA -0.003 45.029 45.100 -0.114 0.000 0.763 427 G HN 0.356 nan 8.290 nan 0.000 0.549 428 G N 0.009 108.761 108.800 -0.080 0.000 2.437 428 G HA2 0.608 4.554 3.960 -0.023 0.000 0.319 428 G HA3 0.608 4.554 3.960 -0.023 0.000 0.319 428 G C -0.736 174.033 174.900 -0.217 0.000 1.158 428 G CA -0.710 44.356 45.100 -0.056 0.000 0.899 428 G HN 0.075 nan 8.290 nan 0.000 0.502 429 R N 1.463 121.763 120.500 -0.332 0.000 2.502 429 R HA 0.380 4.706 4.340 -0.023 0.000 0.298 429 R C -1.100 175.125 176.300 -0.126 0.000 1.018 429 R CA -0.747 55.143 56.100 -0.351 0.000 0.899 429 R CB 1.803 31.652 30.300 -0.752 0.000 1.181 429 R HN 0.581 nan 8.270 nan 0.000 0.444 430 N N 1.526 120.164 118.700 -0.103 0.000 2.380 430 N HA 0.418 5.144 4.740 -0.023 0.000 0.290 430 N C -1.095 174.182 175.510 -0.387 0.000 1.236 430 N CA -0.869 52.015 53.050 -0.277 0.000 0.780 430 N CB 2.434 40.647 38.487 -0.456 0.000 1.438 430 N HN 0.190 nan 8.380 nan 0.000 0.491 431 L N 1.542 122.393 121.223 -0.619 0.000 2.307 431 L HA 0.467 4.794 4.340 -0.023 0.000 0.282 431 L C -1.430 174.952 176.870 -0.812 0.000 1.051 431 L CA -0.165 54.351 54.840 -0.540 0.000 0.804 431 L CB 0.165 41.952 42.059 -0.453 0.000 1.197 431 L HN 0.423 nan 8.230 nan 0.000 0.431 432 Y N 3.152 123.106 120.300 -0.576 0.000 2.477 432 Y HA 0.526 5.062 4.550 -0.023 0.000 0.347 432 Y C -0.525 175.077 175.900 -0.497 0.000 0.981 432 Y CA -0.878 56.829 58.100 -0.655 0.000 1.033 432 Y CB 1.768 39.521 38.460 -1.178 0.000 1.245 432 Y HN 0.502 nan 8.280 nan 0.000 0.455 433 K N 2.844 123.116 120.400 -0.213 0.000 2.292 433 K HA 0.712 5.018 4.320 -0.023 0.000 0.257 433 K C -1.379 175.187 176.600 -0.057 0.000 0.940 433 K CA -0.540 55.543 56.287 -0.341 0.000 0.811 433 K CB 1.854 33.889 32.500 -0.775 0.000 1.120 433 K HN 0.601 nan 8.250 nan 0.000 0.428 434 I N 2.910 123.491 120.570 0.018 0.000 2.325 434 I HA 0.055 4.211 4.170 -0.023 0.000 0.291 434 I C 0.266 176.435 176.117 0.087 0.000 1.019 434 I CA -0.641 60.725 61.300 0.110 0.000 1.302 434 I CB 1.522 39.593 38.000 0.119 0.000 1.401 434 I HN 0.692 nan 8.210 nan 0.000 0.485 435 Q N 5.527 125.387 119.800 0.101 0.000 2.325 435 Q HA 0.037 4.363 4.340 -0.023 0.000 0.256 435 Q C 0.706 176.654 176.000 -0.087 0.000 1.142 435 Q CA -0.524 55.261 55.803 -0.031 0.000 0.902 435 Q CB 0.708 29.449 28.738 0.004 0.000 1.350 435 Q HN 0.620 nan 8.270 nan 0.000 0.449 436 L N 3.068 124.191 121.223 -0.166 0.000 2.051 436 L HA -0.295 4.031 4.340 -0.023 0.000 0.214 436 L C 2.447 179.274 176.870 -0.072 0.000 1.076 436 L CA 2.401 57.183 54.840 -0.097 0.000 0.758 436 L CB -1.251 40.734 42.059 -0.123 0.000 0.890 436 L HN 0.771 nan 8.230 nan 0.000 0.433 437 S N -2.022 113.605 115.700 -0.121 0.000 2.469 437 S HA -0.119 4.337 4.470 -0.023 0.000 0.238 437 S C 0.753 175.306 174.600 -0.078 0.000 0.998 437 S CA 0.979 59.123 58.200 -0.094 0.000 0.957 437 S CB -0.182 62.952 63.200 -0.110 0.000 0.764 437 S HN 0.510 nan 8.310 nan 0.000 0.514 438 D N 0.144 120.497 120.400 -0.079 0.000 2.351 438 D HA 0.139 4.765 4.640 -0.023 0.000 0.235 438 D C 0.180 176.409 176.300 -0.118 0.000 1.331 438 D CA -0.785 53.137 54.000 -0.130 0.000 0.959 438 D CB -0.010 40.711 40.800 -0.132 0.000 1.432 438 D HN 0.270 nan 8.370 nan 0.000 0.544 439 Y N 1.381 121.651 120.300 -0.051 0.000 2.651 439 Y HA -0.057 4.479 4.550 -0.023 0.000 0.296 439 Y C 1.841 177.738 175.900 -0.005 0.000 1.150 439 Y CA 1.304 59.387 58.100 -0.028 0.000 1.348 439 Y CB -0.693 37.748 38.460 -0.032 0.000 0.983 439 Y HN 0.215 nan 8.280 nan 0.000 0.555 440 T N -2.862 111.505 114.554 -0.311 0.000 2.985 440 T HA 0.015 4.351 4.350 -0.023 0.000 0.266 440 T C 0.693 175.368 174.700 -0.042 0.000 1.076 440 T CA 0.125 62.127 62.100 -0.163 0.000 1.135 440 T CB -0.148 68.574 68.868 -0.244 0.000 0.890 440 T HN 0.069 nan 8.240 nan 0.000 0.480 441 K N 2.448 122.825 120.400 -0.039 0.000 2.292 441 K HA 0.508 4.814 4.320 -0.023 0.000 0.290 441 K C -0.966 175.669 176.600 0.060 0.000 1.083 441 K CA -0.145 56.146 56.287 0.007 0.000 0.918 441 K CB 1.150 33.646 32.500 -0.005 0.000 1.089 441 K HN 0.182 nan 8.250 nan 0.000 0.473 442 V N 2.415 122.375 119.914 0.077 0.000 2.735 442 V HA 0.390 4.496 4.120 -0.023 0.000 0.310 442 V C -0.243 175.907 176.094 0.094 0.000 1.061 442 V CA -0.796 61.574 62.300 0.117 0.000 0.913 442 V CB 2.366 34.290 31.823 0.167 0.000 1.005 442 V HN 0.681 nan 8.190 nan 0.000 0.428 443 T N 1.955 116.547 114.554 0.064 0.000 2.824 443 T HA 0.261 4.597 4.350 -0.023 0.000 0.282 443 T C -0.516 174.140 174.700 -0.075 0.000 0.993 443 T CA -0.342 61.755 62.100 -0.005 0.000 0.967 443 T CB 1.401 70.230 68.868 -0.064 0.000 0.960 443 T HN 0.761 nan 8.240 nan 0.000 0.441 444 C N 5.174 124.379 119.300 -0.159 0.000 2.442 444 C HA 0.379 4.825 4.460 -0.023 0.000 0.362 444 C C 1.769 176.472 174.990 -0.478 0.000 1.242 444 C CA -0.552 58.139 59.018 -0.545 0.000 1.741 444 C CB -2.168 25.214 27.740 -0.596 0.000 2.378 444 C HN 0.976 nan 8.230 nan 0.000 0.549 445 L N 4.544 125.449 121.223 -0.530 0.000 2.209 445 L HA 0.034 4.360 4.340 -0.023 0.000 0.207 445 L C 2.414 178.981 176.870 -0.505 0.000 1.094 445 L CA 1.322 55.918 54.840 -0.407 0.000 0.790 445 L CB -0.335 41.525 42.059 -0.333 0.000 0.932 445 L HN 0.848 nan 8.230 nan 0.000 0.447 446 S N -2.504 112.770 115.700 -0.709 0.000 2.506 446 S HA -0.035 4.422 4.470 -0.023 0.000 0.219 446 S C 2.016 176.178 174.600 -0.729 0.000 1.031 446 S CA 0.054 57.705 58.200 -0.914 0.000 0.911 446 S CB -0.473 61.802 63.200 -1.542 0.000 0.812 446 S HN 0.325 nan 8.310 nan 0.000 0.497 447 C N 2.697 121.560 119.300 -0.729 0.000 2.349 447 C HA -0.107 4.339 4.460 -0.023 0.000 0.274 447 C C 2.716 177.409 174.990 -0.495 0.000 1.178 447 C CA 1.388 59.911 59.018 -0.824 0.000 1.769 447 C CB -0.998 26.056 27.740 -1.144 0.000 2.047 447 C HN 0.613 nan 8.230 nan 0.000 0.448 448 E N 0.129 120.115 120.200 -0.357 0.000 2.447 448 E HA 0.109 4.446 4.350 -0.023 0.000 0.195 448 E C 2.080 178.615 176.600 -0.108 0.000 1.028 448 E CA 0.146 56.436 56.400 -0.183 0.000 0.876 448 E CB -0.298 29.317 29.700 -0.143 0.000 0.885 448 E HN 0.666 nan 8.360 nan 0.000 0.500 449 L N 0.620 121.767 121.223 -0.127 0.000 2.043 449 L HA -0.122 4.204 4.340 -0.023 0.000 0.212 449 L C 1.157 178.030 176.870 0.004 0.000 1.075 449 L CA 1.025 55.835 54.840 -0.051 0.000 0.752 449 L CB -0.153 41.877 42.059 -0.048 0.000 0.891 449 L HN 0.045 nan 8.230 nan 0.000 0.432 450 N N -1.561 117.159 118.700 0.032 0.000 2.976 450 N HA 0.088 4.814 4.740 -0.023 0.000 0.220 450 N C -2.235 173.301 175.510 0.044 0.000 1.428 450 N CA -0.665 52.405 53.050 0.033 0.000 0.748 450 N CB 1.144 39.649 38.487 0.030 0.000 1.484 450 N HN -0.174 nan 8.380 nan 0.000 0.578 451 P HA -0.042 nan 4.420 nan 0.000 0.221 451 P C 0.638 177.983 177.300 0.075 0.000 1.150 451 P CA 1.047 64.196 63.100 0.082 0.000 0.800 451 P CB 0.800 32.568 31.700 0.112 0.000 0.787 452 E N 0.512 120.736 120.200 0.041 0.000 2.033 452 E HA -0.141 4.195 4.350 -0.023 0.000 0.189 452 E C 2.321 178.921 176.600 0.000 0.000 0.979 452 E CA 0.792 57.206 56.400 0.023 0.000 0.802 452 E CB -0.406 29.300 29.700 0.009 0.000 0.763 452 E HN 0.120 nan 8.360 nan 0.000 0.449 453 R N 0.533 121.022 120.500 -0.019 0.000 2.148 453 R HA 0.008 4.334 4.340 -0.023 0.000 0.223 453 R C -0.157 176.096 176.300 -0.080 0.000 1.088 453 R CA 0.886 56.951 56.100 -0.058 0.000 0.985 453 R CB 0.110 30.369 30.300 -0.068 0.000 0.880 453 R HN 0.085 nan 8.270 nan 0.000 0.451 454 c N 0.287 118.853 118.600 -0.057 0.000 2.432 454 c HA 0.440 4.996 4.570 -0.023 0.000 0.334 454 c C -0.400 173.673 174.090 -0.029 0.000 1.155 454 c CA -0.635 55.609 56.329 -0.142 0.000 1.335 454 c CB 1.667 44.074 42.510 -0.171 0.000 1.964 454 c HN 0.639 nan 8.230 nan 0.000 0.444 455 Q N 0.460 120.226 119.800 -0.057 0.000 1.988 455 Q HA 0.200 4.526 4.340 -0.023 0.000 0.202 455 Q C -0.947 175.100 176.000 0.078 0.000 0.760 455 Q CA 0.050 55.904 55.803 0.086 0.000 0.940 455 Q CB 1.206 30.018 28.738 0.124 0.000 1.214 455 Q HN 0.783 nan 8.270 nan 0.000 0.432 456 Y N 0.282 120.461 120.300 -0.201 0.000 2.350 456 Y HA 0.525 5.061 4.550 -0.023 0.000 0.338 456 Y C -1.338 174.376 175.900 -0.311 0.000 0.961 456 Y CA -0.851 57.155 58.100 -0.157 0.000 1.100 456 Y CB 1.005 39.386 38.460 -0.131 0.000 1.179 456 Y HN -0.099 nan 8.280 nan 0.000 0.454 457 Y N 1.892 122.095 120.300 -0.162 0.000 2.553 457 Y HA 0.614 5.151 4.550 -0.023 0.000 0.347 457 Y C -0.388 175.444 175.900 -0.113 0.000 1.019 457 Y CA -0.741 57.285 58.100 -0.123 0.000 1.032 457 Y CB 2.472 40.824 38.460 -0.180 0.000 1.284 457 Y HN 0.552 nan 8.280 nan 0.000 0.466 458 S N 0.507 116.282 115.700 0.125 0.000 2.651 458 S HA 0.870 5.326 4.470 -0.023 0.000 0.279 458 S C -1.921 172.714 174.600 0.059 0.000 1.148 458 S CA -0.844 57.404 58.200 0.080 0.000 0.837 458 S CB 1.884 65.140 63.200 0.093 0.000 1.138 458 S HN 0.659 nan 8.310 nan 0.000 0.478 459 V N 0.487 120.430 119.914 0.048 0.000 2.808 459 V HA 0.775 4.882 4.120 -0.023 0.000 0.308 459 V C -1.091 175.022 176.094 0.031 0.000 1.099 459 V CA -0.257 62.025 62.300 -0.031 0.000 0.920 459 V CB 2.211 33.916 31.823 -0.196 0.000 1.014 459 V HN 1.062 nan 8.190 nan 0.000 0.425 460 S N 6.021 121.741 115.700 0.033 0.000 2.566 460 S HA 0.658 5.114 4.470 -0.023 0.000 0.324 460 S C -0.920 173.796 174.600 0.192 0.000 1.081 460 S CA -0.329 58.004 58.200 0.222 0.000 1.105 460 S CB 0.278 63.663 63.200 0.308 0.000 0.981 460 S HN 0.517 nan 8.310 nan 0.000 0.464 461 F N 3.123 123.172 119.950 0.165 0.000 2.394 461 F HA 0.341 4.854 4.527 -0.023 0.000 0.340 461 F C 1.366 176.848 175.800 -0.529 0.000 1.105 461 F CA -0.324 57.616 58.000 -0.100 0.000 1.124 461 F CB 1.216 40.120 39.000 -0.159 0.000 1.145 461 F HN 0.571 nan 8.300 nan 0.000 0.505 462 S N 2.580 117.716 115.700 -0.939 0.000 2.587 462 S HA 0.067 4.523 4.470 -0.023 0.000 0.260 462 S C 1.180 175.557 174.600 -0.372 0.000 1.353 462 S CA -0.557 56.877 58.200 -1.277 0.000 0.995 462 S CB 0.692 63.147 63.200 -1.242 0.000 0.912 462 S HN 0.767 nan 8.310 nan 0.000 0.568 463 K N 0.385 120.661 120.400 -0.206 0.000 2.113 463 K HA -0.125 4.181 4.320 -0.023 0.000 0.208 463 K C 1.137 177.722 176.600 -0.025 0.000 1.047 463 K CA 1.926 58.189 56.287 -0.040 0.000 0.928 463 K CB -0.160 32.344 32.500 0.006 0.000 0.716 463 K HN 0.650 nan 8.250 nan 0.000 0.446 464 E N -1.429 118.741 120.200 -0.050 0.000 2.651 464 E HA 0.263 4.599 4.350 -0.023 0.000 0.208 464 E C -0.566 176.003 176.600 -0.050 0.000 0.997 464 E CA 0.306 56.693 56.400 -0.022 0.000 1.020 464 E CB 1.169 30.875 29.700 0.010 0.000 1.052 464 E HN 0.276 nan 8.360 nan 0.000 0.465 465 A N 0.543 123.313 122.820 -0.083 0.000 2.905 465 A HA -0.346 3.960 4.320 -0.023 0.000 0.260 465 A C 1.447 179.008 177.584 -0.038 0.000 1.398 465 A CA 1.459 53.457 52.037 -0.066 0.000 0.840 465 A CB -2.057 16.722 19.000 -0.369 0.000 1.059 465 A HN 0.281 nan 8.150 nan 0.000 0.647 466 K N -1.766 118.565 120.400 -0.114 0.000 2.217 466 K HA 0.125 4.432 4.320 -0.023 0.000 0.202 466 K C 0.227 176.476 176.600 -0.584 0.000 1.051 466 K CA 1.582 57.689 56.287 -0.301 0.000 0.952 466 K CB -0.031 32.314 32.500 -0.257 0.000 0.736 466 K HN 0.723 nan 8.250 nan 0.000 0.453 467 Y N -1.345 118.936 120.300 -0.032 0.000 2.609 467 Y HA 0.332 4.868 4.550 -0.023 0.000 0.342 467 Y C -1.128 174.765 175.900 -0.011 0.000 1.058 467 Y CA -1.456 56.626 58.100 -0.030 0.000 1.055 467 Y CB 1.728 40.174 38.460 -0.024 0.000 1.292 467 Y HN -0.076 nan 8.280 nan 0.000 0.476 468 Y N -1.060 119.281 120.300 0.069 0.000 2.479 468 Y HA 0.474 5.010 4.550 -0.023 0.000 0.338 468 Y C -1.203 174.731 175.900 0.057 0.000 1.055 468 Y CA -1.500 56.494 58.100 -0.177 0.000 1.023 468 Y CB 1.291 39.153 38.460 -0.997 0.000 1.287 468 Y HN 0.604 nan 8.280 nan 0.000 0.447 469 Q N 2.920 122.846 119.800 0.209 0.000 2.267 469 Q HA 0.508 4.834 4.340 -0.023 0.000 0.255 469 Q C -1.921 174.133 176.000 0.089 0.000 0.923 469 Q CA -0.889 54.965 55.803 0.085 0.000 0.925 469 Q CB 1.337 30.073 28.738 -0.004 0.000 1.195 469 Q HN 0.875 nan 8.270 nan 0.000 0.417 470 L N 4.711 126.002 121.223 0.112 0.000 2.298 470 L HA 0.426 4.752 4.340 -0.023 0.000 0.284 470 L C -0.589 176.304 176.870 0.039 0.000 1.013 470 L CA -0.038 54.869 54.840 0.110 0.000 0.824 470 L CB 1.406 43.537 42.059 0.120 0.000 1.221 470 L HN 0.588 nan 8.230 nan 0.000 0.418 471 R N 4.017 124.493 120.500 -0.041 0.000 2.312 471 R HA 0.510 4.837 4.340 -0.023 0.000 0.311 471 R C -1.139 174.991 176.300 -0.284 0.000 1.004 471 R CA -0.420 55.463 56.100 -0.362 0.000 0.902 471 R CB 1.007 31.076 30.300 -0.385 0.000 1.073 471 R HN 0.734 nan 8.270 nan 0.000 0.457 472 c N 3.387 121.689 118.600 -0.497 0.000 2.322 472 c HA 0.489 5.045 4.570 -0.023 0.000 0.324 472 c C 0.602 174.454 174.090 -0.397 0.000 1.284 472 c CA -0.383 55.561 56.329 -0.641 0.000 1.606 472 c CB 1.297 43.366 42.510 -0.735 0.000 2.251 472 c HN 0.988 nan 8.230 nan 0.000 0.502 473 S N 2.909 118.461 115.700 -0.248 0.000 2.540 473 S HA 0.555 5.011 4.470 -0.023 0.000 0.222 473 S C 0.529 175.091 174.600 -0.063 0.000 1.008 473 S CA 0.445 58.578 58.200 -0.112 0.000 0.939 473 S CB 0.475 63.636 63.200 -0.065 0.000 0.865 473 S HN 1.402 nan 8.310 nan 0.000 0.499 474 G N 1.555 110.303 108.800 -0.086 0.000 2.316 474 G HA2 0.302 4.248 3.960 -0.023 0.000 0.296 474 G HA3 0.302 4.248 3.960 -0.023 0.000 0.296 474 G C -3.008 171.870 174.900 -0.037 0.000 1.399 474 G CA -0.645 44.442 45.100 -0.022 0.000 0.833 474 G HN -0.189 nan 8.290 nan 0.000 0.565 475 P HA 0.136 nan 4.420 nan 0.000 0.227 475 P C 1.376 178.684 177.300 0.015 0.000 1.161 475 P CA 1.365 64.488 63.100 0.039 0.000 0.788 475 P CB 0.316 32.038 31.700 0.035 0.000 0.822 476 G N 0.506 109.248 108.800 -0.095 0.000 2.516 476 G HA2 0.331 4.277 3.960 -0.023 0.000 0.276 476 G HA3 0.331 4.277 3.960 -0.023 0.000 0.276 476 G C -0.151 174.489 174.900 -0.434 0.000 1.390 476 G CA -0.691 44.269 45.100 -0.234 0.000 1.050 476 G HN 0.046 nan 8.290 nan 0.000 0.519 477 L N 1.228 122.134 121.223 -0.527 0.000 2.483 477 L HA 0.126 4.452 4.340 -0.023 0.000 0.276 477 L C -1.778 174.945 176.870 -0.245 0.000 1.213 477 L CA -1.200 53.321 54.840 -0.533 0.000 0.843 477 L CB 0.503 42.340 42.059 -0.371 0.000 1.107 477 L HN 0.248 nan 8.230 nan 0.000 0.487 478 P HA 0.040 nan 4.420 nan 0.000 0.266 478 P C -0.919 176.366 177.300 -0.025 0.000 1.193 478 P CA 0.001 63.071 63.100 -0.049 0.000 0.770 478 P CB 0.554 32.331 31.700 0.127 0.000 0.836 479 L N 4.304 125.445 121.223 -0.138 0.000 2.476 479 L HA 0.440 4.766 4.340 -0.023 0.000 0.269 479 L C -1.834 174.941 176.870 -0.158 0.000 0.965 479 L CA -0.636 54.169 54.840 -0.059 0.000 0.845 479 L CB 1.004 43.014 42.059 -0.083 0.000 1.259 479 L HN 0.260 nan 8.230 nan 0.000 0.403 480 Y N 3.002 123.242 120.300 -0.101 0.000 2.331 480 Y HA 0.679 5.215 4.550 -0.023 0.000 0.338 480 Y C 0.457 176.234 175.900 -0.204 0.000 0.976 480 Y CA -0.540 57.478 58.100 -0.137 0.000 1.137 480 Y CB 1.996 40.343 38.460 -0.188 0.000 1.172 480 Y HN 0.647 nan 8.280 nan 0.000 0.478 481 T N 2.058 116.594 114.554 -0.030 0.000 2.893 481 T HA 0.552 4.888 4.350 -0.023 0.000 0.291 481 T C -1.288 173.295 174.700 -0.195 0.000 1.028 481 T CA -0.924 61.097 62.100 -0.132 0.000 0.995 481 T CB 1.791 70.645 68.868 -0.023 0.000 1.051 481 T HN 0.514 nan 8.240 nan 0.000 0.470 482 L N 3.184 124.163 121.223 -0.407 0.000 2.307 482 L HA 0.523 4.849 4.340 -0.023 0.000 0.284 482 L C -0.793 175.728 176.870 -0.582 0.000 1.023 482 L CA -0.555 54.077 54.840 -0.347 0.000 0.810 482 L CB 0.999 42.906 42.059 -0.254 0.000 1.231 482 L HN 0.859 nan 8.230 nan 0.000 0.423 483 H N 2.088 120.933 119.070 -0.375 0.000 2.821 483 H HA 0.311 4.853 4.556 -0.023 0.000 0.373 483 H C -0.390 174.745 175.328 -0.322 0.000 1.165 483 H CA -0.625 55.096 56.048 -0.545 0.000 1.154 483 H CB 2.359 31.400 29.762 -1.202 0.000 1.765 483 H HN 0.598 nan 8.280 nan 0.000 0.549 484 S N 0.661 116.353 115.700 -0.014 0.000 2.585 484 S HA 0.200 4.656 4.470 -0.023 0.000 0.277 484 S C 0.693 175.322 174.600 0.049 0.000 1.241 484 S CA -0.602 57.638 58.200 0.066 0.000 1.041 484 S CB 1.668 64.922 63.200 0.090 0.000 0.987 484 S HN 0.564 nan 8.310 nan 0.000 0.512 485 S N 1.769 117.486 115.700 0.029 0.000 2.439 485 S HA -0.008 4.448 4.470 -0.023 0.000 0.224 485 S C 1.873 176.503 174.600 0.050 0.000 1.029 485 S CA 0.523 58.809 58.200 0.143 0.000 0.946 485 S CB -0.473 62.790 63.200 0.105 0.000 0.797 485 S HN 0.590 nan 8.310 nan 0.000 0.504 486 V N 3.329 123.236 119.914 -0.012 0.000 2.214 486 V HA -0.204 3.902 4.120 -0.023 0.000 0.245 486 V C 2.399 178.506 176.094 0.023 0.000 1.047 486 V CA 1.964 64.269 62.300 0.010 0.000 0.998 486 V CB -0.636 31.177 31.823 -0.016 0.000 0.633 486 V HN 0.515 nan 8.190 nan 0.000 0.446 487 N N -1.488 117.222 118.700 0.017 0.000 2.376 487 N HA -0.151 4.576 4.740 -0.023 0.000 0.177 487 N C 0.708 176.233 175.510 0.025 0.000 1.024 487 N CA 1.064 54.126 53.050 0.020 0.000 0.893 487 N CB 0.086 38.582 38.487 0.015 0.000 0.980 487 N HN 0.523 nan 8.380 nan 0.000 0.439 488 D N -0.073 120.355 120.400 0.047 0.000 3.006 488 D HA -0.172 4.454 4.640 -0.023 0.000 0.205 488 D C -0.155 176.187 176.300 0.069 0.000 1.075 488 D CA 0.668 54.714 54.000 0.077 0.000 1.000 488 D CB -1.214 39.612 40.800 0.044 0.000 1.097 488 D HN 0.413 nan 8.370 nan 0.000 0.426 489 K N 0.799 121.225 120.400 0.043 0.000 2.401 489 K HA 0.337 4.643 4.320 -0.023 0.000 0.278 489 K C 0.783 177.400 176.600 0.029 0.000 1.018 489 K CA 0.547 56.851 56.287 0.029 0.000 0.981 489 K CB 0.515 33.017 32.500 0.004 0.000 0.933 489 K HN 0.097 nan 8.250 nan 0.000 0.477 490 G N 3.814 112.627 108.800 0.021 0.000 2.365 490 G HA2 0.109 4.055 3.960 -0.023 0.000 0.249 490 G HA3 0.109 4.055 3.960 -0.023 0.000 0.249 490 G C 0.642 175.419 174.900 -0.204 0.000 1.288 490 G CA -0.367 44.634 45.100 -0.165 0.000 0.887 490 G HN 0.686 nan 8.290 nan 0.000 0.524 491 L N 1.793 122.829 121.223 -0.312 0.000 2.269 491 L HA 0.342 4.668 4.340 -0.023 0.000 0.200 491 L C 1.484 178.246 176.870 -0.180 0.000 1.069 491 L CA 0.583 55.307 54.840 -0.193 0.000 0.804 491 L CB -0.095 41.866 42.059 -0.164 0.000 0.987 491 L HN 0.740 nan 8.230 nan 0.000 0.468 492 R N -1.387 118.967 120.500 -0.244 0.000 2.664 492 R HA 0.441 4.767 4.340 -0.023 0.000 0.266 492 R C -1.593 174.565 176.300 -0.236 0.000 1.046 492 R CA -0.836 55.148 56.100 -0.194 0.000 0.885 492 R CB 1.465 31.676 30.300 -0.148 0.000 1.254 492 R HN -0.285 nan 8.270 nan 0.000 0.465 493 V N 3.955 123.760 119.914 -0.182 0.000 2.455 493 V HA 0.104 4.210 4.120 -0.023 0.000 0.273 493 V C 1.333 177.277 176.094 -0.250 0.000 1.045 493 V CA -0.188 62.003 62.300 -0.181 0.000 0.976 493 V CB 0.924 32.678 31.823 -0.113 0.000 0.993 493 V HN 0.677 nan 8.190 nan 0.000 0.475 494 L N 2.888 123.887 121.223 -0.374 0.000 2.249 494 L HA 0.279 4.605 4.340 -0.023 0.000 0.207 494 L C 0.711 177.247 176.870 -0.556 0.000 1.090 494 L CA 0.658 55.066 54.840 -0.721 0.000 0.802 494 L CB 0.162 41.458 42.059 -1.272 0.000 0.947 494 L HN 0.670 nan 8.230 nan 0.000 0.453 495 E N 0.044 120.088 120.200 -0.259 0.000 2.522 495 E HA 0.067 4.403 4.350 -0.023 0.000 0.315 495 E C -1.180 175.433 176.600 0.021 0.000 0.917 495 E CA -0.299 56.053 56.400 -0.081 0.000 0.796 495 E CB 0.829 30.482 29.700 -0.078 0.000 1.323 495 E HN 0.152 nan 8.360 nan 0.000 0.397 496 D N 3.184 123.585 120.400 0.001 0.000 2.402 496 D HA 0.122 4.748 4.640 -0.023 0.000 0.216 496 D C -0.272 176.029 176.300 0.001 0.000 1.128 496 D CA -0.259 53.741 54.000 -0.001 0.000 0.833 496 D CB -0.067 40.718 40.800 -0.024 0.000 0.971 496 D HN 0.423 nan 8.370 nan 0.000 0.503 497 N N 0.516 119.231 118.700 0.024 0.000 2.678 497 N HA -0.238 4.488 4.740 -0.023 0.000 0.249 497 N C 1.036 176.549 175.510 0.004 0.000 1.119 497 N CA 1.015 54.078 53.050 0.023 0.000 0.718 497 N CB -1.459 37.038 38.487 0.018 0.000 1.060 497 N HN 0.525 nan 8.380 nan 0.000 0.552 498 S N -1.115 114.586 115.700 0.002 0.000 2.399 498 S HA -0.040 4.416 4.470 -0.023 0.000 0.231 498 S C 2.117 176.725 174.600 0.014 0.000 1.022 498 S CA 0.962 59.161 58.200 -0.002 0.000 0.983 498 S CB -0.181 63.018 63.200 -0.002 0.000 0.803 498 S HN 0.519 nan 8.310 nan 0.000 0.480 499 A N 2.137 124.975 122.820 0.030 0.000 1.883 499 A HA -0.023 4.284 4.320 -0.023 0.000 0.217 499 A C 2.251 179.873 177.584 0.063 0.000 1.186 499 A CA 1.787 53.853 52.037 0.048 0.000 0.624 499 A CB -0.961 18.073 19.000 0.057 0.000 0.822 499 A HN 0.550 nan 8.150 nan 0.000 0.444 500 L N -0.028 121.235 121.223 0.065 0.000 2.056 500 L HA -0.113 4.213 4.340 -0.023 0.000 0.207 500 L C 1.817 178.703 176.870 0.026 0.000 1.078 500 L CA 2.676 57.564 54.840 0.080 0.000 0.749 500 L CB -0.749 41.366 42.059 0.093 0.000 0.901 500 L HN 0.419 nan 8.230 nan 0.000 0.433 501 D N -0.660 119.734 120.400 -0.009 0.000 2.149 501 D HA -0.249 4.377 4.640 -0.023 0.000 0.198 501 D C 2.147 178.433 176.300 -0.022 0.000 0.990 501 D CA 1.242 55.219 54.000 -0.039 0.000 0.839 501 D CB 0.077 40.849 40.800 -0.048 0.000 0.948 501 D HN 0.250 nan 8.370 nan 0.000 0.460 502 K N 0.348 120.750 120.400 0.003 0.000 1.978 502 K HA -0.180 4.126 4.320 -0.023 0.000 0.214 502 K C 2.115 178.724 176.600 0.015 0.000 1.049 502 K CA 2.009 58.304 56.287 0.014 0.000 0.939 502 K CB -0.372 32.147 32.500 0.031 0.000 0.721 502 K HN 0.219 nan 8.250 nan 0.000 0.441 503 M N -0.468 119.153 119.600 0.035 0.000 2.159 503 M HA -0.083 4.383 4.480 -0.023 0.000 0.263 503 M C 2.014 178.270 176.300 -0.073 0.000 1.063 503 M CA 1.489 56.812 55.300 0.038 0.000 1.110 503 M CB -0.665 32.032 32.600 0.163 0.000 1.374 503 M HN 0.077 nan 8.290 nan 0.000 0.411 504 L N 1.567 122.714 121.223 -0.128 0.000 2.362 504 L HA -0.144 4.182 4.340 -0.023 0.000 0.219 504 L C 2.811 179.625 176.870 -0.094 0.000 1.134 504 L CA 1.587 56.317 54.840 -0.183 0.000 0.807 504 L CB -0.645 41.331 42.059 -0.139 0.000 0.927 504 L HN 0.521 nan 8.230 nan 0.000 0.447 505 Q N -1.838 117.930 119.800 -0.053 0.000 2.389 505 Q HA -0.138 4.188 4.340 -0.023 0.000 0.204 505 Q C 1.712 177.707 176.000 -0.008 0.000 0.944 505 Q CA 1.058 56.844 55.803 -0.028 0.000 0.908 505 Q CB -0.604 28.122 28.738 -0.020 0.000 1.002 505 Q HN 0.512 nan 8.270 nan 0.000 0.493 506 N N 1.453 120.151 118.700 -0.003 0.000 2.216 506 N HA -0.060 4.666 4.740 -0.023 0.000 0.183 506 N C 0.094 175.621 175.510 0.028 0.000 1.017 506 N CA 0.486 53.549 53.050 0.022 0.000 0.861 506 N CB 0.197 38.708 38.487 0.039 0.000 0.986 506 N HN 0.091 nan 8.380 nan 0.000 0.428 507 V N 2.501 122.411 119.914 -0.007 0.000 2.637 507 V HA 0.017 4.123 4.120 -0.023 0.000 0.296 507 V C 0.337 176.446 176.094 0.026 0.000 1.046 507 V CA -0.067 62.242 62.300 0.015 0.000 1.066 507 V CB 1.192 32.982 31.823 -0.056 0.000 0.968 507 V HN 0.274 nan 8.190 nan 0.000 0.483 508 Q N 4.671 124.511 119.800 0.066 0.000 2.452 508 Q HA 0.317 4.643 4.340 -0.023 0.000 0.230 508 Q C -0.533 175.477 176.000 0.017 0.000 1.180 508 Q CA -0.186 55.643 55.803 0.044 0.000 0.914 508 Q CB 0.445 29.253 28.738 0.117 0.000 1.408 508 Q HN 0.545 nan 8.270 nan 0.000 0.520 509 M N 3.895 123.480 119.600 -0.026 0.000 2.277 509 M HA 0.362 4.828 4.480 -0.023 0.000 0.350 509 M C -2.113 174.145 176.300 -0.070 0.000 1.180 509 M CA -2.642 52.637 55.300 -0.034 0.000 1.103 509 M CB 0.417 33.002 32.600 -0.026 0.000 1.577 509 M HN 0.288 nan 8.290 nan 0.000 0.459 510 P HA 0.115 nan 4.420 nan 0.000 0.271 510 P C -0.548 176.689 177.300 -0.104 0.000 1.216 510 P CA -0.182 62.849 63.100 -0.114 0.000 0.776 510 P CB 0.215 31.831 31.700 -0.140 0.000 0.881 511 S N 1.977 117.601 115.700 -0.126 0.000 2.617 511 S HA 0.316 4.772 4.470 -0.023 0.000 0.269 511 S C -0.030 174.491 174.600 -0.130 0.000 1.292 511 S CA -0.721 57.413 58.200 -0.109 0.000 1.010 511 S CB 1.134 64.263 63.200 -0.118 0.000 0.944 511 S HN 0.520 nan 8.310 nan 0.000 0.536 512 K N 0.640 120.988 120.400 -0.086 0.000 2.307 512 K HA 0.368 4.674 4.320 -0.023 0.000 0.263 512 K C -1.099 175.455 176.600 -0.077 0.000 0.973 512 K CA -0.657 55.580 56.287 -0.084 0.000 0.846 512 K CB 0.927 33.403 32.500 -0.039 0.000 1.100 512 K HN 0.568 nan 8.250 nan 0.000 0.438 513 K N 5.194 125.533 120.400 -0.101 0.000 2.213 513 K HA 0.274 4.580 4.320 -0.023 0.000 0.270 513 K C -1.382 175.182 176.600 -0.059 0.000 1.002 513 K CA -0.561 55.680 56.287 -0.077 0.000 0.868 513 K CB 0.914 33.353 32.500 -0.102 0.000 1.093 513 K HN 0.571 nan 8.250 nan 0.000 0.454 514 L N 4.618 125.820 121.223 -0.035 0.000 2.298 514 L HA 0.502 4.828 4.340 -0.023 0.000 0.284 514 L C -1.211 175.663 176.870 0.007 0.000 1.013 514 L CA -0.138 54.710 54.840 0.014 0.000 0.824 514 L CB 1.202 43.333 42.059 0.120 0.000 1.221 514 L HN 0.872 nan 8.230 nan 0.000 0.418 515 D N 3.178 123.383 120.400 -0.324 0.000 2.752 515 D HA 0.464 5.090 4.640 -0.023 0.000 0.313 515 D C -1.440 174.477 176.300 -0.639 0.000 1.225 515 D CA -0.074 53.623 54.000 -0.505 0.000 0.976 515 D CB 2.549 43.016 40.800 -0.555 0.000 1.443 515 D HN 0.224 nan 8.370 nan 0.000 0.515 516 F N 0.046 119.632 119.950 -0.606 0.000 2.611 516 F HA 0.713 5.227 4.527 -0.022 0.000 0.324 516 F C -0.391 175.462 175.800 0.089 0.000 1.061 516 F CA -1.106 56.636 58.000 -0.429 0.000 0.954 516 F CB 0.868 39.193 39.000 -1.125 0.000 1.301 516 F HN 0.226 nan 8.300 nan 0.000 0.482 517 I N 0.048 120.907 120.570 0.481 0.000 2.740 517 I HA 0.633 4.789 4.170 -0.023 0.000 0.303 517 I C -1.319 175.029 176.117 0.384 0.000 1.044 517 I CA -1.116 60.406 61.300 0.370 0.000 1.064 517 I CB 2.408 40.575 38.000 0.278 0.000 1.249 517 I HN 0.622 nan 8.210 nan 0.000 0.433 518 I N 5.153 125.887 120.570 0.273 0.000 2.321 518 I HA 0.316 4.472 4.170 -0.023 0.000 0.291 518 I C -1.126 175.112 176.117 0.202 0.000 0.998 518 I CA -0.639 60.787 61.300 0.210 0.000 1.227 518 I CB 1.627 39.714 38.000 0.145 0.000 1.368 518 I HN 0.371 nan 8.210 nan 0.000 0.466 519 L N 6.905 128.288 121.223 0.267 0.000 2.388 519 L HA 0.369 4.695 4.340 -0.023 0.000 0.267 519 L C -0.473 176.515 176.870 0.196 0.000 0.995 519 L CA -0.589 54.400 54.840 0.248 0.000 0.864 519 L CB 0.306 42.578 42.059 0.354 0.000 1.216 519 L HN 0.535 nan 8.230 nan 0.000 0.430 520 N N 2.011 120.773 118.700 0.104 0.000 2.699 520 N HA -0.208 4.518 4.740 -0.023 0.000 0.257 520 N C 0.103 175.636 175.510 0.038 0.000 1.077 520 N CA 0.718 53.805 53.050 0.062 0.000 0.702 520 N CB -1.242 37.281 38.487 0.059 0.000 0.886 520 N HN 0.614 nan 8.380 nan 0.000 0.549 521 E N -2.171 118.046 120.200 0.028 0.000 2.325 521 E HA -0.260 4.076 4.350 -0.023 0.000 0.232 521 E C -0.720 175.852 176.600 -0.046 0.000 1.276 521 E CA 1.701 58.100 56.400 -0.003 0.000 0.717 521 E CB -1.021 28.674 29.700 -0.008 0.000 1.192 521 E HN 0.568 nan 8.360 nan 0.000 0.380 522 T N 0.294 114.814 114.554 -0.058 0.000 2.812 522 T HA 0.328 4.664 4.350 -0.023 0.000 0.282 522 T C 0.029 174.532 174.700 -0.328 0.000 0.990 522 T CA -0.922 61.043 62.100 -0.225 0.000 0.960 522 T CB 1.393 70.096 68.868 -0.275 0.000 0.948 522 T HN -0.033 nan 8.240 nan 0.000 0.438 523 K N 2.322 122.473 120.400 -0.415 0.000 2.298 523 K HA 0.443 4.750 4.320 -0.023 0.000 0.280 523 K C -1.076 175.212 176.600 -0.522 0.000 1.032 523 K CA -0.117 55.925 56.287 -0.408 0.000 0.958 523 K CB 0.524 32.650 32.500 -0.623 0.000 0.978 523 K HN 0.406 nan 8.250 nan 0.000 0.472 524 F N 1.897 121.880 119.950 0.055 0.000 2.539 524 F HA 0.295 4.808 4.527 -0.023 0.000 0.318 524 F C -0.656 175.220 175.800 0.128 0.000 1.135 524 F CA -0.759 57.291 58.000 0.083 0.000 0.915 524 F CB 0.996 40.071 39.000 0.126 0.000 1.176 524 F HN 0.446 nan 8.300 nan 0.000 0.440 525 W N 3.823 125.260 121.300 0.228 0.000 2.381 525 W HA 0.555 5.201 4.660 -0.023 0.000 0.329 525 W C -0.672 176.031 176.519 0.306 0.000 1.157 525 W CA -0.624 56.879 57.345 0.264 0.000 1.240 525 W CB 0.829 30.386 29.460 0.161 0.000 1.199 525 W HN 0.444 nan 8.180 nan 0.000 0.579 526 Y N -0.275 120.377 120.300 0.586 0.000 2.581 526 Y HA 0.662 5.198 4.550 -0.023 0.000 0.345 526 Y C -0.792 175.358 175.900 0.416 0.000 1.036 526 Y CA -1.834 56.608 58.100 0.570 0.000 1.042 526 Y CB 1.101 40.066 38.460 0.843 0.000 1.289 526 Y HN 0.571 nan 8.280 nan 0.000 0.471 527 Q N 2.333 122.387 119.800 0.423 0.000 2.387 527 Q HA 0.758 5.084 4.340 -0.023 0.000 0.273 527 Q C -1.639 174.505 176.000 0.240 0.000 1.089 527 Q CA -1.185 54.754 55.803 0.225 0.000 0.824 527 Q CB 3.230 32.052 28.738 0.140 0.000 1.367 527 Q HN 0.883 nan 8.270 nan 0.000 0.443 528 M N 2.264 121.918 119.600 0.090 0.000 2.263 528 M HA 0.407 4.874 4.480 -0.023 0.000 0.295 528 M C -1.413 174.812 176.300 -0.125 0.000 1.028 528 M CA -0.913 54.361 55.300 -0.044 0.000 0.921 528 M CB 2.166 34.694 32.600 -0.121 0.000 1.601 528 M HN 0.612 nan 8.290 nan 0.000 0.440 529 I N 5.283 125.772 120.570 -0.135 0.000 2.301 529 I HA 0.339 4.495 4.170 -0.023 0.000 0.292 529 I C -0.473 175.487 176.117 -0.262 0.000 1.046 529 I CA -0.246 60.953 61.300 -0.168 0.000 1.282 529 I CB 0.156 38.081 38.000 -0.126 0.000 1.409 529 I HN 0.627 nan 8.210 nan 0.000 0.484 530 L N 8.444 129.463 121.223 -0.340 0.000 2.282 530 L HA 0.433 4.759 4.340 -0.023 0.000 0.288 530 L C -2.146 174.530 176.870 -0.323 0.000 1.033 530 L CA -1.778 52.748 54.840 -0.523 0.000 0.807 530 L CB 1.517 43.087 42.059 -0.815 0.000 1.209 530 L HN 0.252 nan 8.230 nan 0.000 0.423 531 P HA 0.042 nan 4.420 nan 0.000 0.269 531 P C -2.450 174.834 177.300 -0.027 0.000 1.217 531 P CA -0.812 62.237 63.100 -0.085 0.000 0.783 531 P CB -0.261 31.450 31.700 0.020 0.000 0.898 532 P HA -0.040 nan 4.420 nan 0.000 0.272 532 P C -0.064 177.233 177.300 -0.005 0.000 1.230 532 P CA 0.504 63.535 63.100 -0.115 0.000 0.788 532 P CB 0.052 31.658 31.700 -0.156 0.000 0.949 533 H N -1.907 117.208 119.070 0.075 0.000 2.820 533 H HA -0.207 4.336 4.556 -0.022 0.000 0.295 533 H C 0.074 175.468 175.328 0.110 0.000 1.187 533 H CA 0.187 56.281 56.048 0.076 0.000 1.144 533 H CB -2.393 27.405 29.762 0.060 0.000 1.354 533 H HN 0.422 nan 8.280 nan 0.000 0.395 534 F N 2.807 122.762 119.950 0.007 0.000 2.593 534 F HA 0.130 4.647 4.527 -0.018 0.000 0.393 534 F C 0.510 176.323 175.800 0.022 0.000 1.037 534 F CA -0.064 57.902 58.000 -0.057 0.000 1.195 534 F CB 0.443 39.287 39.000 -0.261 0.000 1.034 534 F HN 0.115 nan 8.300 nan 0.000 0.552 535 D N 5.170 125.238 120.400 -0.553 0.000 2.425 535 D HA 0.236 4.863 4.640 -0.023 0.000 0.240 535 D C 0.152 176.096 176.300 -0.594 0.000 1.080 535 D CA -0.620 53.124 54.000 -0.426 0.000 0.836 535 D CB 1.442 42.164 40.800 -0.132 0.000 1.125 535 D HN 0.511 nan 8.370 nan 0.000 0.525 536 K N 0.910 120.990 120.400 -0.533 0.000 2.486 536 K HA 0.084 4.391 4.320 -0.023 0.000 0.194 536 K C 1.636 178.228 176.600 -0.013 0.000 1.033 536 K CA 0.211 56.353 56.287 -0.243 0.000 1.004 536 K CB 0.205 32.685 32.500 -0.033 0.000 0.798 536 K HN 0.103 nan 8.250 nan 0.000 0.495 537 S N 0.594 116.253 115.700 -0.068 0.000 2.406 537 S HA -0.004 4.452 4.470 -0.023 0.000 0.228 537 S C 0.672 175.245 174.600 -0.045 0.000 1.020 537 S CA 0.779 58.957 58.200 -0.037 0.000 0.965 537 S CB 0.061 63.229 63.200 -0.053 0.000 0.798 537 S HN 0.249 nan 8.310 nan 0.000 0.488 538 K N 1.582 121.931 120.400 -0.085 0.000 2.154 538 K HA 0.232 4.538 4.320 -0.023 0.000 0.264 538 K C -0.294 176.246 176.600 -0.100 0.000 1.008 538 K CA -0.217 55.965 56.287 -0.175 0.000 0.937 538 K CB 0.472 32.734 32.500 -0.396 0.000 1.002 538 K HN -0.071 nan 8.250 nan 0.000 0.469 539 K N 2.941 123.238 120.400 -0.171 0.000 2.281 539 K HA 0.210 4.517 4.320 -0.023 0.000 0.272 539 K C -0.894 175.613 176.600 -0.155 0.000 1.048 539 K CA -0.305 55.941 56.287 -0.067 0.000 0.898 539 K CB 0.582 33.040 32.500 -0.071 0.000 1.128 539 K HN 0.428 nan 8.250 nan 0.000 0.460 540 Y N 3.457 123.783 120.300 0.044 0.000 2.361 540 Y HA 0.221 4.764 4.550 -0.011 0.000 0.332 540 Y C -1.710 174.130 175.900 -0.099 0.000 1.101 540 Y CA -2.244 55.861 58.100 0.009 0.000 1.137 540 Y CB 1.003 39.538 38.460 0.125 0.000 1.207 540 Y HN 0.438 nan 8.280 nan 0.000 0.463 541 P HA 0.089 nan 4.420 nan 0.000 0.271 541 P C -0.989 176.160 177.300 -0.252 0.000 1.216 541 P CA -0.025 62.791 63.100 -0.474 0.000 0.771 541 P CB 1.292 32.384 31.700 -1.014 0.000 0.864 542 L N 4.062 125.184 121.223 -0.170 0.000 2.341 542 L HA 0.516 4.842 4.340 -0.023 0.000 0.278 542 L C -0.924 176.129 176.870 0.305 0.000 1.005 542 L CA -1.184 53.701 54.840 0.075 0.000 0.818 542 L CB 1.596 43.702 42.059 0.078 0.000 1.259 542 L HN 0.177 nan 8.230 nan 0.000 0.418 543 L N 5.529 126.953 121.223 0.335 0.000 2.305 543 L HA 0.471 4.797 4.340 -0.023 0.000 0.284 543 L C -1.114 175.990 176.870 0.391 0.000 1.013 543 L CA -0.344 54.755 54.840 0.433 0.000 0.819 543 L CB 1.543 43.825 42.059 0.371 0.000 1.227 543 L HN 0.613 nan 8.230 nan 0.000 0.417 544 L N 5.292 126.799 121.223 0.473 0.000 2.295 544 L HA 0.376 4.702 4.340 -0.023 0.000 0.288 544 L C -0.387 176.713 176.870 0.384 0.000 1.079 544 L CA 0.308 55.411 54.840 0.438 0.000 0.830 544 L CB 0.347 42.727 42.059 0.536 0.000 1.200 544 L HN 0.596 nan 8.230 nan 0.000 0.438 545 D N 4.215 124.815 120.400 0.334 0.000 2.316 545 D HA 0.200 4.826 4.640 -0.023 0.000 0.245 545 D C -0.999 175.377 176.300 0.126 0.000 1.171 545 D CA 0.090 54.207 54.000 0.195 0.000 0.856 545 D CB 1.402 42.381 40.800 0.298 0.000 1.090 545 D HN 0.365 nan 8.370 nan 0.000 0.476 546 V N 5.598 125.500 119.914 -0.019 0.000 2.531 546 V HA 0.342 4.448 4.120 -0.023 0.000 0.301 546 V C -0.894 175.265 176.094 0.109 0.000 1.034 546 V CA -0.464 61.890 62.300 0.090 0.000 0.865 546 V CB 1.581 33.455 31.823 0.085 0.000 0.995 546 V HN 0.629 nan 8.190 nan 0.000 0.424 547 Y N 5.921 126.287 120.300 0.109 0.000 2.488 547 Y HA 0.552 5.088 4.550 -0.023 0.000 0.262 547 Y C 1.795 177.830 175.900 0.225 0.000 1.108 547 Y CA 1.501 59.694 58.100 0.155 0.000 1.299 547 Y CB 0.263 38.803 38.460 0.134 0.000 1.231 547 Y HN 1.098 nan 8.280 nan 0.000 0.507 548 A N 0.650 123.614 122.820 0.239 0.000 2.860 548 A HA -0.159 4.147 4.320 -0.023 0.000 0.267 548 A C 0.786 178.288 177.584 -0.137 0.000 1.421 548 A CA 0.685 52.805 52.037 0.139 0.000 0.831 548 A CB -2.413 16.709 19.000 0.203 0.000 1.041 548 A HN 0.824 nan 8.150 nan 0.000 0.623 549 G N -0.959 107.618 108.800 -0.372 0.000 2.599 549 G HA2 0.514 4.460 3.960 -0.023 0.000 0.264 549 G HA3 0.514 4.460 3.960 -0.023 0.000 0.264 549 G C -2.301 172.338 174.900 -0.435 0.000 1.200 549 G CA -0.975 43.523 45.100 -1.003 0.000 0.896 549 G HN 0.298 nan 8.290 nan 0.000 0.536 550 P HA 0.098 nan 4.420 nan 0.000 0.264 550 P C 0.572 177.742 177.300 -0.218 0.000 1.193 550 P CA 0.015 62.839 63.100 -0.460 0.000 0.763 550 P CB 0.784 31.781 31.700 -1.170 0.000 0.810 551 C N 2.445 121.667 119.300 -0.129 0.000 4.397 551 C HA -0.152 4.294 4.460 -0.023 0.000 0.291 551 C C 0.987 175.996 174.990 0.033 0.000 1.408 551 C CA 1.102 60.003 59.018 -0.194 0.000 1.971 551 C CB -2.777 24.694 27.740 -0.448 0.000 1.258 551 C HN 0.798 nan 8.230 nan 0.000 0.795 552 S N -0.065 115.712 115.700 0.129 0.000 2.632 552 S HA 0.562 5.019 4.470 -0.023 0.000 0.267 552 S C -0.551 174.206 174.600 0.261 0.000 1.276 552 S CA 0.090 58.448 58.200 0.263 0.000 0.998 552 S CB 1.604 65.028 63.200 0.373 0.000 0.953 552 S HN 0.811 nan 8.310 nan 0.000 0.547 553 Q N -0.014 119.961 119.800 0.291 0.000 2.526 553 Q HA 0.299 4.626 4.340 -0.023 0.000 0.238 553 Q C -0.504 175.621 176.000 0.208 0.000 0.866 553 Q CA -0.585 55.384 55.803 0.277 0.000 0.801 553 Q CB 0.916 29.880 28.738 0.378 0.000 1.380 553 Q HN 0.682 nan 8.270 nan 0.000 0.446 554 K N 0.629 121.154 120.400 0.208 0.000 2.356 554 K HA 0.263 4.569 4.320 -0.023 0.000 0.195 554 K C 0.066 176.773 176.600 0.177 0.000 1.037 554 K CA 0.440 56.841 56.287 0.190 0.000 1.014 554 K CB 0.979 33.621 32.500 0.236 0.000 0.815 554 K HN 0.488 nan 8.250 nan 0.000 0.507 555 A N 3.077 126.014 122.820 0.196 0.000 2.341 555 A HA 0.350 4.656 4.320 -0.023 0.000 0.326 555 A C -0.736 176.917 177.584 0.114 0.000 1.402 555 A CA -0.529 51.623 52.037 0.192 0.000 0.957 555 A CB -0.071 19.104 19.000 0.293 0.000 1.151 555 A HN 0.261 nan 8.150 nan 0.000 0.533 556 D N -0.179 120.263 120.400 0.071 0.000 2.664 556 D HA 0.417 5.043 4.640 -0.023 0.000 0.292 556 D C 0.445 176.755 176.300 0.016 0.000 1.214 556 D CA 0.227 54.254 54.000 0.045 0.000 0.932 556 D CB 0.299 41.125 40.800 0.044 0.000 1.420 556 D HN 0.133 nan 8.370 nan 0.000 0.471 557 T N -2.389 112.197 114.554 0.053 0.000 3.163 557 T HA 0.271 4.608 4.350 -0.023 0.000 0.252 557 T C 0.546 175.220 174.700 -0.044 0.000 1.056 557 T CA -0.363 61.766 62.100 0.047 0.000 0.947 557 T CB -0.601 68.342 68.868 0.126 0.000 1.016 557 T HN 0.269 nan 8.240 nan 0.000 0.554 558 V N 2.754 122.524 119.914 -0.239 0.000 2.655 558 V HA 0.275 4.381 4.120 -0.023 0.000 0.300 558 V C 0.167 176.213 176.094 -0.079 0.000 1.044 558 V CA -0.855 61.267 62.300 -0.297 0.000 1.095 558 V CB -0.157 31.368 31.823 -0.497 0.000 0.952 558 V HN 0.554 nan 8.190 nan 0.000 0.485 559 F N 6.447 126.307 119.950 -0.150 0.000 2.412 559 F HA 0.603 5.116 4.527 -0.023 0.000 0.348 559 F C 0.442 176.193 175.800 -0.083 0.000 1.102 559 F CA -0.194 57.745 58.000 -0.102 0.000 1.196 559 F CB 0.442 39.392 39.000 -0.084 0.000 1.144 559 F HN 0.425 nan 8.300 nan 0.000 0.541 560 R N 5.640 125.617 120.500 -0.872 0.000 2.771 560 R HA 0.582 4.909 4.340 -0.023 0.000 0.274 560 R C -1.659 174.162 176.300 -0.799 0.000 0.987 560 R CA -1.052 54.686 56.100 -0.605 0.000 0.908 560 R CB 2.103 32.232 30.300 -0.284 0.000 1.213 560 R HN 0.673 nan 8.270 nan 0.000 0.468 561 L N 3.877 124.868 121.223 -0.386 0.000 2.337 561 L HA 0.420 4.746 4.340 -0.023 0.000 0.269 561 L C -0.848 176.035 176.870 0.022 0.000 1.018 561 L CA -0.724 53.968 54.840 -0.247 0.000 0.876 561 L CB 0.690 42.746 42.059 -0.005 0.000 1.236 561 L HN 0.741 nan 8.230 nan 0.000 0.436 562 N N 0.047 118.672 118.700 -0.125 0.000 3.283 562 N HA 0.206 4.932 4.740 -0.023 0.000 0.338 562 N C 0.279 175.407 175.510 -0.637 0.000 1.517 562 N CA -0.901 52.003 53.050 -0.243 0.000 0.733 562 N CB 0.187 38.648 38.487 -0.043 0.000 1.797 562 N HN 0.307 nan 8.380 nan 0.000 0.637 563 W N 0.587 121.259 121.300 -1.045 0.000 2.338 563 W HA 0.062 4.710 4.660 -0.021 0.000 0.304 563 W C 2.037 178.500 176.519 -0.094 0.000 1.212 563 W CA 2.826 59.788 57.345 -0.638 0.000 1.264 563 W CB -1.001 28.273 29.460 -0.311 0.000 1.142 563 W HN 0.685 nan 8.180 nan 0.000 0.512 564 A N -0.369 122.402 122.820 -0.081 0.000 1.883 564 A HA -0.237 4.069 4.320 -0.023 0.000 0.217 564 A C 1.962 179.438 177.584 -0.181 0.000 1.186 564 A CA 2.773 54.709 52.037 -0.168 0.000 0.624 564 A CB -1.413 17.575 19.000 -0.021 0.000 0.822 564 A HN 0.304 nan 8.150 nan 0.000 0.444 565 T N -1.169 113.280 114.554 -0.176 0.000 2.699 565 T HA -0.271 4.065 4.350 -0.023 0.000 0.268 565 T C 1.745 176.451 174.700 0.010 0.000 1.036 565 T CA 1.883 63.844 62.100 -0.232 0.000 1.147 565 T CB -0.557 67.956 68.868 -0.592 0.000 0.862 565 T HN 0.703 nan 8.240 nan 0.000 0.446 566 Y N 1.764 122.114 120.300 0.084 0.000 2.163 566 Y HA -0.027 4.510 4.550 -0.021 0.000 0.288 566 Y C 2.017 177.899 175.900 -0.031 0.000 1.136 566 Y CA 1.015 59.215 58.100 0.168 0.000 1.147 566 Y CB -0.507 38.044 38.460 0.152 0.000 0.987 566 Y HN 0.093 nan 8.280 nan 0.000 0.509 567 L N 0.472 121.318 121.223 -0.628 0.000 2.046 567 L HA -0.201 4.125 4.340 -0.023 0.000 0.208 567 L C 2.888 179.532 176.870 -0.376 0.000 1.077 567 L CA 1.268 55.679 54.840 -0.715 0.000 0.747 567 L CB -1.004 40.666 42.059 -0.648 0.000 0.896 567 L HN 0.414 nan 8.230 nan 0.000 0.432 568 A N -0.973 121.698 122.820 -0.249 0.000 1.855 568 A HA -0.214 4.092 4.320 -0.023 0.000 0.215 568 A C 2.540 180.065 177.584 -0.099 0.000 1.191 568 A CA 2.013 53.956 52.037 -0.157 0.000 0.613 568 A CB -0.811 18.093 19.000 -0.159 0.000 0.829 568 A HN 0.343 nan 8.150 nan 0.000 0.442 569 S N -1.309 114.352 115.700 -0.065 0.000 2.345 569 S HA -0.122 4.334 4.470 -0.023 0.000 0.220 569 S C 2.067 176.688 174.600 0.034 0.000 1.031 569 S CA 2.298 60.511 58.200 0.022 0.000 0.996 569 S CB -0.525 62.748 63.200 0.123 0.000 0.882 569 S HN 0.604 nan 8.310 nan 0.000 0.445 570 T N 1.693 116.234 114.554 -0.021 0.000 2.781 570 T HA 0.120 4.456 4.350 -0.023 0.000 0.252 570 T C 1.560 176.218 174.700 -0.070 0.000 1.039 570 T CA 0.806 62.899 62.100 -0.012 0.000 1.147 570 T CB -0.271 68.624 68.868 0.046 0.000 0.865 570 T HN 0.348 nan 8.240 nan 0.000 0.423 571 E N 1.367 121.435 120.200 -0.220 0.000 2.478 571 E HA 0.092 4.429 4.350 -0.023 0.000 0.194 571 E C 0.181 176.768 176.600 -0.022 0.000 1.045 571 E CA -0.008 56.312 56.400 -0.133 0.000 0.868 571 E CB -0.172 29.387 29.700 -0.234 0.000 0.885 571 E HN 0.331 nan 8.360 nan 0.000 0.505 572 N N 0.482 119.183 118.700 0.001 0.000 2.747 572 N HA -0.199 4.527 4.740 -0.023 0.000 0.249 572 N C -0.530 175.077 175.510 0.161 0.000 1.107 572 N CA 0.631 53.755 53.050 0.124 0.000 0.707 572 N CB -1.775 36.838 38.487 0.209 0.000 1.054 572 N HN 0.285 nan 8.380 nan 0.000 0.555 573 I N 1.136 121.729 120.570 0.038 0.000 2.395 573 I HA 0.220 4.376 4.170 -0.023 0.000 0.289 573 I C 1.184 177.288 176.117 -0.021 0.000 1.023 573 I CA -0.494 60.838 61.300 0.052 0.000 1.350 573 I CB 0.849 38.898 38.000 0.082 0.000 1.409 573 I HN -0.033 nan 8.210 nan 0.000 0.507 574 I N 7.000 127.558 120.570 -0.020 0.000 2.436 574 I HA 0.077 4.233 4.170 -0.023 0.000 0.289 574 I C 0.059 176.151 176.117 -0.041 0.000 1.083 574 I CA -0.046 61.185 61.300 -0.114 0.000 1.372 574 I CB 0.842 38.769 38.000 -0.121 0.000 1.408 574 I HN 0.329 nan 8.210 nan 0.000 0.516 575 V N 6.999 126.878 119.914 -0.059 0.000 2.398 575 V HA 0.859 4.965 4.120 -0.023 0.000 0.286 575 V C -0.080 176.025 176.094 0.018 0.000 1.026 575 V CA -0.126 62.192 62.300 0.030 0.000 0.868 575 V CB 1.327 33.190 31.823 0.066 0.000 0.982 575 V HN 0.775 nan 8.190 nan 0.000 0.443 576 A N 4.751 127.615 122.820 0.072 0.000 2.401 576 A HA 0.926 5.233 4.320 -0.023 0.000 0.310 576 A C -0.248 177.492 177.584 0.260 0.000 1.075 576 A CA -0.586 51.493 52.037 0.069 0.000 0.746 576 A CB 2.119 20.972 19.000 -0.245 0.000 1.277 576 A HN 1.006 nan 8.150 nan 0.000 0.425 577 S N -0.058 115.846 115.700 0.340 0.000 2.568 577 S HA 0.823 5.279 4.470 -0.023 0.000 0.293 577 S C -1.413 173.553 174.600 0.609 0.000 1.089 577 S CA -0.309 58.141 58.200 0.415 0.000 0.945 577 S CB 1.353 64.737 63.200 0.307 0.000 1.077 577 S HN 0.839 nan 8.310 nan 0.000 0.485 578 F N 1.730 121.916 119.950 0.393 0.000 2.588 578 F HA 0.395 4.909 4.527 -0.022 0.000 0.318 578 F C -1.669 174.331 175.800 0.333 0.000 1.155 578 F CA -0.681 57.573 58.000 0.424 0.000 0.967 578 F CB 1.388 40.618 39.000 0.383 0.000 1.236 578 F HN 0.392 nan 8.300 nan 0.000 0.455 579 D N 5.167 125.402 120.400 -0.274 0.000 2.456 579 D HA 0.341 4.967 4.640 -0.023 0.000 0.219 579 D C 0.428 176.456 176.300 -0.452 0.000 1.126 579 D CA 0.159 54.063 54.000 -0.160 0.000 0.890 579 D CB 1.438 42.289 40.800 0.084 0.000 1.025 579 D HN 0.757 nan 8.370 nan 0.000 0.511 580 G N 1.349 109.954 108.800 -0.326 0.000 2.695 580 G HA2 0.276 4.222 3.960 -0.023 0.000 0.213 580 G HA3 0.276 4.222 3.960 -0.023 0.000 0.213 580 G C 0.205 175.086 174.900 -0.032 0.000 1.406 580 G CA -0.693 44.209 45.100 -0.331 0.000 1.049 580 G HN 0.270 nan 8.290 nan 0.000 0.573 581 R N -0.748 119.707 120.500 -0.075 0.000 2.623 581 R HA 0.385 4.711 4.340 -0.023 0.000 0.271 581 R C 1.257 177.642 176.300 0.142 0.000 1.043 581 R CA 1.376 57.547 56.100 0.118 0.000 1.083 581 R CB 0.577 30.921 30.300 0.073 0.000 0.974 581 R HN 1.021 nan 8.270 nan 0.000 0.436 582 G N 0.933 109.814 108.800 0.135 0.000 2.268 582 G HA2 -0.341 3.605 3.960 -0.023 0.000 0.240 582 G HA3 -0.341 3.605 3.960 -0.023 0.000 0.240 582 G C 0.186 175.111 174.900 0.042 0.000 1.010 582 G CA 0.259 45.418 45.100 0.098 0.000 0.618 582 G HN 0.742 nan 8.290 nan 0.000 0.516 583 S N 0.480 116.219 115.700 0.064 0.000 2.600 583 S HA 0.656 5.112 4.470 -0.023 0.000 0.265 583 S C 0.844 175.420 174.600 -0.040 0.000 1.325 583 S CA 0.601 58.829 58.200 0.046 0.000 1.002 583 S CB 1.683 64.948 63.200 0.107 0.000 0.921 583 S HN 1.707 nan 8.310 nan 0.000 0.554 584 G N -0.640 108.084 108.800 -0.126 0.000 2.521 584 G HA2 0.497 4.443 3.960 -0.023 0.000 0.323 584 G HA3 0.497 4.443 3.960 -0.023 0.000 0.323 584 G C -0.810 173.887 174.900 -0.338 0.000 1.211 584 G CA -1.009 43.810 45.100 -0.468 0.000 0.979 584 G HN 1.087 nan 8.290 nan 0.000 0.490 585 Y N -2.474 117.828 120.300 0.002 0.000 4.604 585 Y HA -0.243 4.293 4.550 -0.023 0.000 0.230 585 Y C 1.383 177.297 175.900 0.022 0.000 1.066 585 Y CA 1.041 59.152 58.100 0.019 0.000 1.990 585 Y CB -1.948 36.547 38.460 0.058 0.000 1.619 585 Y HN 0.515 nan 8.280 nan 0.000 0.649 586 Q N 0.162 119.972 119.800 0.017 0.000 2.118 586 Q HA 0.490 4.816 4.340 -0.023 0.000 0.219 586 Q C 0.936 176.825 176.000 -0.185 0.000 0.794 586 Q CA 0.217 56.039 55.803 0.031 0.000 1.035 586 Q CB 1.763 30.522 28.738 0.036 0.000 1.177 586 Q HN 0.579 nan 8.270 nan 0.000 0.478 587 G N 0.596 109.149 108.800 -0.411 0.000 2.612 587 G HA2 -0.182 3.764 3.960 -0.023 0.000 0.686 587 G HA3 -0.182 3.764 3.960 -0.023 0.000 0.686 587 G C -0.575 173.946 174.900 -0.631 0.000 1.274 587 G CA -0.529 44.048 45.100 -0.871 0.000 0.849 587 G HN 0.087 nan 8.290 nan 0.000 0.595 588 D N -0.006 119.983 120.400 -0.685 0.000 2.149 588 D HA -0.004 4.622 4.640 -0.023 0.000 0.201 588 D C 2.444 178.444 176.300 -0.501 0.000 0.972 588 D CA 1.313 54.870 54.000 -0.738 0.000 0.835 588 D CB -0.030 40.340 40.800 -0.716 0.000 0.966 588 D HN 0.555 nan 8.370 nan 0.000 0.476 589 K N 0.265 120.450 120.400 -0.357 0.000 2.044 589 K HA -0.112 4.194 4.320 -0.023 0.000 0.210 589 K C 2.163 178.683 176.600 -0.133 0.000 1.049 589 K CA 0.905 57.075 56.287 -0.195 0.000 0.927 589 K CB -0.062 32.346 32.500 -0.155 0.000 0.713 589 K HN 0.181 nan 8.250 nan 0.000 0.443 590 I N 0.331 120.811 120.570 -0.151 0.000 2.286 590 I HA -0.231 3.925 4.170 -0.023 0.000 0.245 590 I C 2.552 178.648 176.117 -0.035 0.000 1.104 590 I CA 0.977 62.260 61.300 -0.030 0.000 1.397 590 I CB -0.069 37.929 38.000 -0.002 0.000 1.072 590 I HN 0.251 nan 8.210 nan 0.000 0.417 591 M N -0.209 119.282 119.600 -0.181 0.000 2.200 591 M HA -0.171 4.295 4.480 -0.023 0.000 0.265 591 M C 1.684 177.966 176.300 -0.029 0.000 1.066 591 M CA 1.829 57.030 55.300 -0.164 0.000 1.127 591 M CB -0.186 32.197 32.600 -0.360 0.000 1.379 591 M HN 0.267 nan 8.290 nan 0.000 0.420 592 H N -0.941 118.026 119.070 -0.171 0.000 2.526 592 H HA 0.227 4.769 4.556 -0.023 0.000 0.274 592 H C 1.765 177.114 175.328 0.034 0.000 0.999 592 H CA 0.101 56.066 56.048 -0.139 0.000 1.157 592 H CB 0.269 29.864 29.762 -0.278 0.000 1.407 592 H HN 0.467 nan 8.280 nan 0.000 0.568 593 A N 1.389 124.308 122.820 0.166 0.000 1.972 593 A HA -0.137 4.169 4.320 -0.023 0.000 0.219 593 A C 1.912 179.715 177.584 0.365 0.000 1.169 593 A CA 1.246 53.399 52.037 0.194 0.000 0.635 593 A CB -0.455 18.606 19.000 0.102 0.000 0.810 593 A HN 0.447 nan 8.150 nan 0.000 0.446 594 I N -2.224 118.533 120.570 0.312 0.000 3.875 594 I HA 0.145 4.301 4.170 -0.023 0.000 0.329 594 I C 0.401 176.620 176.117 0.171 0.000 1.295 594 I CA -0.797 60.652 61.300 0.248 0.000 1.129 594 I CB -1.060 37.045 38.000 0.175 0.000 1.008 594 I HN 0.203 nan 8.210 nan 0.000 0.413 595 N N 3.062 121.908 118.700 0.243 0.000 2.365 595 N HA -0.082 4.644 4.740 -0.023 0.000 0.265 595 N C 0.265 175.814 175.510 0.065 0.000 1.288 595 N CA 0.316 53.502 53.050 0.227 0.000 0.869 595 N CB 0.250 38.850 38.487 0.189 0.000 1.071 595 N HN 0.368 nan 8.380 nan 0.000 0.480 596 R N 0.839 121.350 120.500 0.019 0.000 3.977 596 R HA -0.155 4.171 4.340 -0.023 0.000 0.428 596 R C -0.292 175.882 176.300 -0.209 0.000 1.079 596 R CA 0.944 57.002 56.100 -0.069 0.000 1.269 596 R CB -0.735 29.536 30.300 -0.047 0.000 1.856 596 R HN 0.660 nan 8.270 nan 0.000 0.551 597 R N 0.627 121.005 120.500 -0.204 0.000 2.711 597 R HA 0.278 4.604 4.340 -0.023 0.000 0.350 597 R C -0.285 176.003 176.300 -0.020 0.000 1.146 597 R CA -0.250 55.598 56.100 -0.420 0.000 1.190 597 R CB 0.445 30.481 30.300 -0.439 0.000 1.312 597 R HN 0.097 nan 8.270 nan 0.000 0.635 598 L N -0.090 121.207 121.223 0.124 0.000 2.461 598 L HA 0.216 4.542 4.340 -0.023 0.000 0.272 598 L C 1.325 178.429 176.870 0.390 0.000 1.197 598 L CA 0.660 55.600 54.840 0.167 0.000 0.836 598 L CB 0.502 42.456 42.059 -0.174 0.000 1.105 598 L HN 0.662 nan 8.230 nan 0.000 0.477 599 G N 0.926 110.000 108.800 0.455 0.000 2.176 599 G HA2 -0.287 3.659 3.960 -0.023 0.000 0.252 599 G HA3 -0.287 3.659 3.960 -0.023 0.000 0.252 599 G C 0.442 175.429 174.900 0.146 0.000 1.024 599 G CA 0.605 45.920 45.100 0.359 0.000 0.755 599 G HN 0.882 nan 8.290 nan 0.000 0.507 600 T N -3.919 110.690 114.554 0.092 0.000 3.257 600 T HA 0.466 4.802 4.350 -0.023 0.000 0.176 600 T C 1.632 176.318 174.700 -0.023 0.000 0.892 600 T CA 0.901 62.951 62.100 -0.084 0.000 1.147 600 T CB 0.016 68.652 68.868 -0.385 0.000 1.840 600 T HN 0.154 nan 8.240 nan 0.000 0.375 601 F N 3.443 123.444 119.950 0.085 0.000 2.216 601 F HA 0.100 4.613 4.527 -0.023 0.000 0.300 601 F C 2.779 178.616 175.800 0.062 0.000 1.085 601 F CA 1.172 59.206 58.000 0.057 0.000 1.326 601 F CB -0.605 38.425 39.000 0.050 0.000 1.027 601 F HN 0.539 nan 8.300 nan 0.000 0.497 602 E N 0.630 120.990 120.200 0.267 0.000 2.208 602 E HA -0.097 4.239 4.350 -0.023 0.000 0.193 602 E C 2.055 178.763 176.600 0.180 0.000 0.988 602 E CA 1.280 57.813 56.400 0.220 0.000 0.828 602 E CB -0.968 28.874 29.700 0.237 0.000 0.763 602 E HN 0.294 nan 8.360 nan 0.000 0.478 603 V N 1.618 121.614 119.914 0.137 0.000 2.283 603 V HA -0.198 3.908 4.120 -0.023 0.000 0.243 603 V C 2.375 178.502 176.094 0.054 0.000 1.039 603 V CA 2.066 64.397 62.300 0.053 0.000 1.016 603 V CB -0.673 31.138 31.823 -0.019 0.000 0.650 603 V HN 0.174 nan 8.190 nan 0.000 0.449 604 E N 0.229 120.478 120.200 0.082 0.000 2.118 604 E HA -0.252 4.085 4.350 -0.023 0.000 0.195 604 E C 1.919 178.547 176.600 0.048 0.000 0.992 604 E CA 1.616 58.061 56.400 0.076 0.000 0.804 604 E CB -0.162 29.615 29.700 0.130 0.000 0.741 604 E HN 0.582 nan 8.360 nan 0.000 0.458 605 D N -0.031 120.412 120.400 0.073 0.000 2.224 605 D HA -0.115 4.511 4.640 -0.023 0.000 0.205 605 D C 1.931 178.219 176.300 -0.019 0.000 0.965 605 D CA 0.626 54.642 54.000 0.028 0.000 0.852 605 D CB -0.056 40.803 40.800 0.097 0.000 0.947 605 D HN 0.120 nan 8.370 nan 0.000 0.494 606 Q N 0.267 120.116 119.800 0.082 0.000 2.079 606 Q HA -0.049 4.277 4.340 -0.023 0.000 0.200 606 Q C 2.549 178.593 176.000 0.073 0.000 0.974 606 Q CA 0.577 56.431 55.803 0.086 0.000 0.840 606 Q CB -0.197 28.608 28.738 0.111 0.000 0.898 606 Q HN 0.411 nan 8.270 nan 0.000 0.430 607 I N 0.715 121.340 120.570 0.091 0.000 2.202 607 I HA -0.254 3.902 4.170 -0.023 0.000 0.242 607 I C 2.394 178.493 176.117 -0.030 0.000 1.091 607 I CA 1.125 62.531 61.300 0.178 0.000 1.368 607 I CB -0.169 37.915 38.000 0.140 0.000 1.058 607 I HN 0.132 nan 8.210 nan 0.000 0.410 608 E N 1.345 121.467 120.200 -0.130 0.000 2.110 608 E HA -0.209 4.127 4.350 -0.023 0.000 0.193 608 E C 2.081 178.401 176.600 -0.467 0.000 0.988 608 E CA 1.564 57.819 56.400 -0.241 0.000 0.804 608 E CB -0.208 29.368 29.700 -0.207 0.000 0.745 608 E HN 0.423 nan 8.360 nan 0.000 0.458 609 A N 1.026 123.432 122.820 -0.691 0.000 1.859 609 A HA -0.183 4.124 4.320 -0.023 0.000 0.217 609 A C 2.520 179.456 177.584 -1.079 0.000 1.198 609 A CA 2.767 54.082 52.037 -1.204 0.000 0.629 609 A CB -1.401 16.853 19.000 -1.245 0.000 0.830 609 A HN 0.408 nan 8.150 nan 0.000 0.446 610 A N -0.718 121.833 122.820 -0.448 0.000 1.940 610 A HA -0.213 4.094 4.320 -0.023 0.000 0.219 610 A C 2.250 179.673 177.584 -0.268 0.000 1.176 610 A CA 1.715 53.637 52.037 -0.192 0.000 0.631 610 A CB -0.537 18.330 19.000 -0.221 0.000 0.814 610 A HN 0.573 nan 8.150 nan 0.000 0.446 611 R N -0.787 119.531 120.500 -0.303 0.000 2.080 611 R HA -0.159 4.167 4.340 -0.023 0.000 0.236 611 R C 2.411 178.554 176.300 -0.262 0.000 1.137 611 R CA 1.629 57.583 56.100 -0.244 0.000 0.943 611 R CB -0.407 29.774 30.300 -0.199 0.000 0.846 611 R HN 0.604 nan 8.270 nan 0.000 0.431 612 Q N -0.282 119.290 119.800 -0.381 0.000 2.181 612 Q HA -0.157 4.169 4.340 -0.023 0.000 0.205 612 Q C 2.013 177.848 176.000 -0.276 0.000 0.980 612 Q CA 1.349 56.935 55.803 -0.360 0.000 0.862 612 Q CB -0.180 28.271 28.738 -0.478 0.000 0.905 612 Q HN 0.302 nan 8.270 nan 0.000 0.429 613 F N 0.685 120.469 119.950 -0.277 0.000 2.163 613 F HA -0.056 4.457 4.527 -0.024 0.000 0.297 613 F C 2.598 178.205 175.800 -0.323 0.000 1.094 613 F CA 0.471 58.296 58.000 -0.292 0.000 1.290 613 F CB -0.962 37.912 39.000 -0.209 0.000 1.017 613 F HN -0.068 nan 8.300 nan 0.000 0.483 614 S N -0.054 115.597 115.700 -0.081 0.000 2.351 614 S HA -0.232 4.224 4.470 -0.023 0.000 0.220 614 S C 2.097 176.588 174.600 -0.181 0.000 1.035 614 S CA 1.286 59.402 58.200 -0.140 0.000 1.031 614 S CB -0.392 62.729 63.200 -0.131 0.000 0.928 614 S HN 0.251 nan 8.310 nan 0.000 0.433 615 K N 0.312 120.615 120.400 -0.162 0.000 2.362 615 K HA -0.045 4.261 4.320 -0.023 0.000 0.202 615 K C 1.860 178.355 176.600 -0.175 0.000 1.045 615 K CA 0.947 57.147 56.287 -0.146 0.000 0.936 615 K CB -0.178 32.246 32.500 -0.127 0.000 0.747 615 K HN 0.351 nan 8.250 nan 0.000 0.467 616 M N -1.431 118.008 119.600 -0.270 0.000 2.476 616 M HA -0.053 4.414 4.480 -0.023 0.000 0.262 616 M C 1.177 177.165 176.300 -0.520 0.000 1.079 616 M CA 1.274 56.335 55.300 -0.398 0.000 1.104 616 M CB 0.469 32.721 32.600 -0.581 0.000 1.409 616 M HN 0.482 nan 8.290 nan 0.000 0.467 617 G N 0.214 108.750 108.800 -0.439 0.000 2.213 617 G HA2 -0.276 3.670 3.960 -0.023 0.000 0.226 617 G HA3 -0.276 3.670 3.960 -0.023 0.000 0.226 617 G C 0.375 175.215 174.900 -0.100 0.000 0.992 617 G CA 0.181 45.153 45.100 -0.214 0.000 0.632 617 G HN 0.605 nan 8.290 nan 0.000 0.511 618 F N -0.032 119.979 119.950 0.100 0.000 2.791 618 F HA 0.804 5.315 4.527 -0.027 0.000 0.308 618 F C -0.084 175.835 175.800 0.199 0.000 1.138 618 F CA -1.072 57.023 58.000 0.158 0.000 1.294 618 F CB 0.611 39.761 39.000 0.251 0.000 0.975 618 F HN 0.058 nan 8.300 nan 0.000 0.512 619 V N 1.212 121.184 119.914 0.096 0.000 2.531 619 V HA 0.196 4.302 4.120 -0.023 0.000 0.301 619 V C -0.828 175.266 176.094 -0.000 0.000 1.034 619 V CA -0.729 61.620 62.300 0.081 0.000 0.865 619 V CB 1.806 33.624 31.823 -0.008 0.000 0.995 619 V HN 0.164 nan 8.190 nan 0.000 0.424 620 D N 4.552 124.943 120.400 -0.015 0.000 2.367 620 D HA 0.040 4.666 4.640 -0.023 0.000 0.255 620 D C 1.258 177.508 176.300 -0.083 0.000 1.300 620 D CA 0.241 54.200 54.000 -0.068 0.000 0.959 620 D CB 0.513 41.246 40.800 -0.110 0.000 1.064 620 D HN 0.455 nan 8.370 nan 0.000 0.509 621 N N 3.288 121.943 118.700 -0.076 0.000 2.144 621 N HA -0.235 4.492 4.740 -0.023 0.000 0.195 621 N C 1.059 176.528 175.510 -0.069 0.000 1.006 621 N CA 1.272 54.273 53.050 -0.082 0.000 0.880 621 N CB 0.097 38.541 38.487 -0.073 0.000 1.018 621 N HN 0.556 nan 8.380 nan 0.000 0.443 622 K N -0.003 120.364 120.400 -0.056 0.000 2.432 622 K HA 0.085 4.391 4.320 -0.023 0.000 0.196 622 K C 0.270 176.867 176.600 -0.005 0.000 1.038 622 K CA 0.500 56.771 56.287 -0.026 0.000 0.986 622 K CB 0.362 32.848 32.500 -0.024 0.000 0.782 622 K HN 0.075 nan 8.250 nan 0.000 0.485 623 R N 1.303 121.764 120.500 -0.066 0.000 2.585 623 R HA 0.358 4.684 4.340 -0.023 0.000 0.278 623 R C -1.080 175.142 176.300 -0.131 0.000 1.663 623 R CA -0.126 55.906 56.100 -0.113 0.000 1.592 623 R CB 0.628 30.663 30.300 -0.443 0.000 1.200 623 R HN 0.011 nan 8.270 nan 0.000 0.611 624 I N 1.368 122.011 120.570 0.120 0.000 2.439 624 I HA 0.511 4.667 4.170 -0.023 0.000 0.285 624 I C -0.079 176.309 176.117 0.453 0.000 1.021 624 I CA -0.742 60.663 61.300 0.176 0.000 1.091 624 I CB 1.916 39.851 38.000 -0.107 0.000 1.242 624 I HN 0.352 nan 8.210 nan 0.000 0.439 625 A N 6.918 130.140 122.820 0.670 0.000 2.313 625 A HA 0.931 5.237 4.320 -0.023 0.000 0.323 625 A C -1.023 176.961 177.584 0.667 0.000 1.133 625 A CA -0.659 51.759 52.037 0.634 0.000 0.847 625 A CB 1.909 21.156 19.000 0.412 0.000 1.308 625 A HN 0.736 nan 8.150 nan 0.000 0.475 626 I N 0.433 121.301 120.570 0.496 0.000 2.722 626 I HA 0.717 4.873 4.170 -0.023 0.000 0.295 626 I C -1.789 174.582 176.117 0.423 0.000 1.161 626 I CA -0.547 60.951 61.300 0.331 0.000 1.032 626 I CB 1.614 39.493 38.000 -0.201 0.000 1.244 626 I HN 0.916 nan 8.210 nan 0.000 0.421 627 W N 7.059 128.485 121.300 0.209 0.000 3.137 627 W HA 0.833 5.479 4.660 -0.023 0.000 0.324 627 W C -1.455 175.203 176.519 0.232 0.000 1.253 627 W CA -0.818 56.654 57.345 0.212 0.000 1.183 627 W CB 1.037 30.670 29.460 0.289 0.000 1.424 627 W HN 0.844 nan 8.180 nan 0.000 0.566 628 G N 0.725 109.424 108.800 -0.168 0.000 2.559 628 G HA2 0.492 4.438 3.960 -0.023 0.000 0.291 628 G HA3 0.492 4.438 3.960 -0.023 0.000 0.291 628 G C -2.769 172.076 174.900 -0.092 0.000 1.424 628 G CA -0.726 44.115 45.100 -0.432 0.000 0.786 628 G HN 0.623 nan 8.290 nan 0.000 0.485 629 W N 0.391 121.582 121.300 -0.182 0.000 2.864 629 W HA 0.604 5.250 4.660 -0.024 0.000 0.343 629 W C 0.845 177.417 176.519 0.089 0.000 1.109 629 W CA 0.481 57.820 57.345 -0.010 0.000 1.192 629 W CB 1.860 31.334 29.460 0.022 0.000 1.426 629 W HN 1.030 nan 8.180 nan 0.000 0.529 630 S N 1.121 117.127 115.700 0.510 0.000 4.054 630 S HA -0.423 4.033 4.470 -0.023 0.000 0.618 630 S C 0.937 175.629 174.600 0.153 0.000 2.026 630 S CA 1.788 60.257 58.200 0.448 0.000 4.205 630 S CB -1.653 61.948 63.200 0.668 0.000 0.233 630 S HN 0.755 nan 8.310 nan 0.000 0.612 631 Y N 2.484 122.744 120.300 -0.067 0.000 2.193 631 Y HA -0.126 4.410 4.550 -0.023 0.000 0.285 631 Y C 2.412 178.201 175.900 -0.184 0.000 1.166 631 Y CA 2.326 60.310 58.100 -0.192 0.000 1.181 631 Y CB -0.960 37.229 38.460 -0.452 0.000 0.976 631 Y HN 0.545 nan 8.280 nan 0.000 0.520 632 G N -0.943 107.783 108.800 -0.124 0.000 2.418 632 G HA2 -0.268 3.678 3.960 -0.023 0.000 0.217 632 G HA3 -0.268 3.678 3.960 -0.023 0.000 0.217 632 G C 1.892 176.792 174.900 -0.000 0.000 1.158 632 G CA 0.785 45.864 45.100 -0.035 0.000 0.771 632 G HN 0.573 nan 8.290 nan 0.000 0.545 633 G N -0.223 108.593 108.800 0.027 0.000 2.422 633 G HA2 -0.253 3.693 3.960 -0.023 0.000 0.218 633 G HA3 -0.253 3.693 3.960 -0.023 0.000 0.218 633 G C 1.579 176.487 174.900 0.013 0.000 1.146 633 G CA 1.120 46.229 45.100 0.015 0.000 0.769 633 G HN 0.504 nan 8.290 nan 0.000 0.547 634 Y N 1.108 121.298 120.300 -0.183 0.000 2.114 634 Y HA -0.149 4.387 4.550 -0.022 0.000 0.284 634 Y C 2.835 178.624 175.900 -0.184 0.000 1.143 634 Y CA 1.873 59.813 58.100 -0.266 0.000 1.135 634 Y CB -0.315 37.835 38.460 -0.515 0.000 0.980 634 Y HN 0.028 nan 8.280 nan 0.000 0.499 635 V N 0.185 119.958 119.914 -0.235 0.000 2.282 635 V HA -0.394 3.712 4.120 -0.023 0.000 0.249 635 V C 2.310 178.269 176.094 -0.226 0.000 1.057 635 V CA 2.495 64.651 62.300 -0.239 0.000 1.032 635 V CB -1.308 30.522 31.823 0.012 0.000 0.645 635 V HN 0.541 nan 8.190 nan 0.000 0.447 636 T N -0.085 114.392 114.554 -0.128 0.000 2.635 636 T HA -0.228 4.109 4.350 -0.023 0.000 0.267 636 T C 2.140 176.764 174.700 -0.127 0.000 1.040 636 T CA 2.105 64.143 62.100 -0.103 0.000 1.156 636 T CB -0.357 68.531 68.868 0.032 0.000 0.863 636 T HN 0.539 nan 8.240 nan 0.000 0.430 637 S N 1.119 116.781 115.700 -0.064 0.000 2.359 637 S HA -0.071 4.385 4.470 -0.023 0.000 0.224 637 S C 2.144 176.645 174.600 -0.165 0.000 1.035 637 S CA 1.078 59.270 58.200 -0.013 0.000 1.018 637 S CB -0.341 62.892 63.200 0.054 0.000 0.876 637 S HN 0.319 nan 8.310 nan 0.000 0.448 638 M N 0.810 120.210 119.600 -0.334 0.000 2.213 638 M HA -0.029 4.437 4.480 -0.023 0.000 0.263 638 M C 2.137 178.261 176.300 -0.292 0.000 1.062 638 M CA 1.024 56.106 55.300 -0.363 0.000 1.105 638 M CB -1.322 30.941 32.600 -0.561 0.000 1.385 638 M HN 0.186 nan 8.290 nan 0.000 0.417 639 V N 0.183 119.915 119.914 -0.303 0.000 2.488 639 V HA -0.185 3.921 4.120 -0.023 0.000 0.246 639 V C 2.433 178.318 176.094 -0.349 0.000 1.046 639 V CA 1.053 63.169 62.300 -0.307 0.000 1.053 639 V CB -0.423 31.141 31.823 -0.431 0.000 0.679 639 V HN 0.383 nan 8.190 nan 0.000 0.458 640 L N 0.379 121.331 121.223 -0.451 0.000 2.093 640 L HA -0.033 4.293 4.340 -0.023 0.000 0.208 640 L C 2.302 178.643 176.870 -0.881 0.000 1.085 640 L CA 1.599 56.069 54.840 -0.617 0.000 0.755 640 L CB -0.779 40.839 42.059 -0.734 0.000 0.904 640 L HN 0.476 nan 8.230 nan 0.000 0.435 641 G N -1.199 107.067 108.800 -0.891 0.000 3.088 641 G HA2 -0.091 3.855 3.960 -0.023 0.000 0.212 641 G HA3 -0.091 3.855 3.960 -0.023 0.000 0.212 641 G C 1.594 176.321 174.900 -0.289 0.000 1.173 641 G CA 0.634 45.349 45.100 -0.642 0.000 0.779 641 G HN 0.439 nan 8.290 nan 0.000 0.540 642 S N -0.432 115.119 115.700 -0.249 0.000 2.436 642 S HA 0.269 4.725 4.470 -0.023 0.000 0.228 642 S C 2.074 176.624 174.600 -0.084 0.000 1.014 642 S CA 1.259 59.380 58.200 -0.132 0.000 0.950 642 S CB -0.223 62.919 63.200 -0.097 0.000 0.784 642 S HN 1.400 nan 8.310 nan 0.000 0.504 643 G N 0.909 109.655 108.800 -0.090 0.000 2.159 643 G HA2 -0.356 3.591 3.960 -0.023 0.000 0.256 643 G HA3 -0.356 3.591 3.960 -0.023 0.000 0.256 643 G C 1.119 176.006 174.900 -0.020 0.000 0.977 643 G CA 1.101 46.171 45.100 -0.050 0.000 0.652 643 G HN 1.361 nan 8.290 nan 0.000 0.531 644 S N 0.011 115.709 115.700 -0.003 0.000 2.382 644 S HA 0.259 4.715 4.470 -0.023 0.000 0.228 644 S C 2.584 177.195 174.600 0.020 0.000 1.027 644 S CA 1.930 60.145 58.200 0.024 0.000 0.991 644 S CB -0.521 62.727 63.200 0.080 0.000 0.823 644 S HN 2.450 nan 8.310 nan 0.000 0.469 645 G N -0.099 108.721 108.800 0.034 0.000 2.153 645 G HA2 -0.251 3.695 3.960 -0.023 0.000 0.252 645 G HA3 -0.251 3.695 3.960 -0.023 0.000 0.252 645 G C 0.666 175.567 174.900 0.001 0.000 0.994 645 G CA 0.445 45.558 45.100 0.022 0.000 0.698 645 G HN 0.740 nan 8.290 nan 0.000 0.521 646 V N -1.010 118.902 119.914 -0.003 0.000 2.649 646 V HA 0.264 4.370 4.120 -0.023 0.000 0.248 646 V C 1.141 177.052 176.094 -0.305 0.000 1.054 646 V CA 1.315 63.490 62.300 -0.208 0.000 1.073 646 V CB -0.264 31.334 31.823 -0.375 0.000 0.699 646 V HN 0.316 nan 8.190 nan 0.000 0.463 647 F N 0.206 120.174 119.950 0.029 0.000 2.427 647 F HA 0.381 4.896 4.527 -0.021 0.000 0.346 647 F C 1.114 176.962 175.800 0.079 0.000 1.120 647 F CA -0.488 57.556 58.000 0.073 0.000 1.033 647 F CB 1.444 40.485 39.000 0.068 0.000 1.126 647 F HN -0.220 nan 8.300 nan 0.000 0.462 648 K N 2.262 122.821 120.400 0.264 0.000 2.007 648 K HA -0.011 4.295 4.320 -0.023 0.000 0.206 648 K C 0.096 176.830 176.600 0.224 0.000 1.047 648 K CA 1.270 57.681 56.287 0.208 0.000 0.937 648 K CB 0.168 32.798 32.500 0.218 0.000 0.718 648 K HN 0.779 nan 8.250 nan 0.000 0.438 649 c N -2.217 116.559 118.600 0.294 0.000 3.241 649 c HA 0.895 5.451 4.570 -0.023 0.000 0.312 649 c C -0.185 174.161 174.090 0.426 0.000 1.350 649 c CA -0.650 55.878 56.329 0.331 0.000 1.415 649 c CB 1.136 43.759 42.510 0.187 0.000 1.770 649 c HN 0.403 nan 8.230 nan 0.000 0.466 650 G N 0.439 109.555 108.800 0.528 0.000 2.690 650 G HA2 0.738 4.684 3.960 -0.023 0.000 0.293 650 G HA3 0.738 4.684 3.960 -0.023 0.000 0.293 650 G C -1.754 173.350 174.900 0.341 0.000 1.399 650 G CA -0.732 44.632 45.100 0.440 0.000 0.890 650 G HN 0.970 nan 8.290 nan 0.000 0.485 651 I N 1.021 121.747 120.570 0.260 0.000 2.418 651 I HA 0.573 4.729 4.170 -0.023 0.000 0.287 651 I C 0.133 176.350 176.117 0.167 0.000 1.008 651 I CA -0.944 60.371 61.300 0.026 0.000 1.104 651 I CB 2.086 40.055 38.000 -0.051 0.000 1.264 651 I HN 0.587 nan 8.210 nan 0.000 0.438 652 A N 6.814 129.629 122.820 -0.007 0.000 2.273 652 A HA 0.722 5.029 4.320 -0.023 0.000 0.315 652 A C -0.666 176.823 177.584 -0.158 0.000 1.256 652 A CA -0.480 51.567 52.037 0.016 0.000 0.851 652 A CB 1.034 20.109 19.000 0.125 0.000 1.172 652 A HN 0.452 nan 8.150 nan 0.000 0.508 653 V N 2.252 122.027 119.914 -0.231 0.000 2.370 653 V HA 0.557 4.663 4.120 -0.023 0.000 0.283 653 V C 0.951 176.600 176.094 -0.740 0.000 1.023 653 V CA 0.293 62.216 62.300 -0.628 0.000 0.857 653 V CB 0.724 31.866 31.823 -1.134 0.000 0.985 653 V HN 2.031 nan 8.190 nan 0.000 0.443 654 A N 5.954 128.363 122.820 -0.685 0.000 2.312 654 A HA -0.105 4.201 4.320 -0.023 0.000 0.286 654 A C -1.822 175.616 177.584 -0.244 0.000 1.425 654 A CA 0.298 51.874 52.037 -0.769 0.000 0.748 654 A CB -1.464 17.130 19.000 -0.676 0.000 1.126 654 A HN 0.616 nan 8.150 nan 0.000 0.368 655 P HA 0.412 nan 4.420 nan 0.000 0.282 655 P C 0.220 177.492 177.300 -0.047 0.000 1.249 655 P CA -0.240 62.839 63.100 -0.035 0.000 0.806 655 P CB 1.271 32.970 31.700 -0.003 0.000 0.984 656 V N 2.434 122.220 119.914 -0.212 0.000 2.715 656 V HA 0.020 4.126 4.120 -0.023 0.000 0.299 656 V C 1.877 177.806 176.094 -0.274 0.000 1.054 656 V CA 1.044 63.081 62.300 -0.437 0.000 1.077 656 V CB 0.565 31.698 31.823 -1.150 0.000 0.972 656 V HN 0.826 nan 8.190 nan 0.000 0.484 657 S N 4.078 119.647 115.700 -0.219 0.000 2.566 657 S HA 0.221 4.677 4.470 -0.023 0.000 0.234 657 S C 0.548 175.002 174.600 -0.243 0.000 1.075 657 S CA -0.240 57.891 58.200 -0.115 0.000 0.926 657 S CB 0.289 63.480 63.200 -0.014 0.000 0.811 657 S HN 0.844 nan 8.310 nan 0.000 0.518 658 R N -1.390 118.840 120.500 -0.451 0.000 2.626 658 R HA 0.509 4.835 4.340 -0.023 0.000 0.274 658 R C -1.003 174.963 176.300 -0.557 0.000 1.031 658 R CA -0.893 54.879 56.100 -0.548 0.000 0.898 658 R CB 0.007 29.999 30.300 -0.514 0.000 1.222 658 R HN 0.163 nan 8.270 nan 0.000 0.455 659 W N 1.063 122.275 121.300 -0.146 0.000 2.595 659 W HA 0.064 4.710 4.660 -0.023 0.000 0.257 659 W C 0.922 177.577 176.519 0.227 0.000 1.267 659 W CA 0.384 57.739 57.345 0.018 0.000 1.300 659 W CB 0.315 29.722 29.460 -0.088 0.000 1.120 659 W HN 0.752 nan 8.180 nan 0.000 0.618 660 E N -1.010 119.349 120.200 0.266 0.000 2.409 660 E HA -0.183 4.153 4.350 -0.023 0.000 0.198 660 E C 1.147 177.896 176.600 0.247 0.000 1.024 660 E CA 0.943 57.435 56.400 0.154 0.000 0.861 660 E CB -0.263 29.418 29.700 -0.032 0.000 0.788 660 E HN 0.348 nan 8.360 nan 0.000 0.521 661 Y N -1.663 118.734 120.300 0.162 0.000 2.510 661 Y HA 0.126 4.662 4.550 -0.023 0.000 0.273 661 Y C 0.513 176.514 175.900 0.168 0.000 1.119 661 Y CA -0.510 57.653 58.100 0.104 0.000 1.286 661 Y CB -0.346 38.119 38.460 0.008 0.000 1.061 661 Y HN 0.009 nan 8.280 nan 0.000 0.542 662 Y N 1.989 122.452 120.300 0.272 0.000 2.392 662 Y HA 0.286 4.823 4.550 -0.023 0.000 0.323 662 Y C 0.369 176.494 175.900 0.376 0.000 1.291 662 Y CA -2.081 56.188 58.100 0.282 0.000 1.345 662 Y CB 0.395 39.062 38.460 0.345 0.000 1.320 662 Y HN 0.204 nan 8.280 nan 0.000 0.518 663 D N -0.435 119.743 120.400 -0.370 0.000 2.400 663 D HA 0.037 4.663 4.640 -0.023 0.000 0.238 663 D C 0.879 177.177 176.300 -0.004 0.000 1.157 663 D CA 0.508 54.326 54.000 -0.302 0.000 0.889 663 D CB 0.809 41.212 40.800 -0.662 0.000 1.199 663 D HN 0.478 nan 8.370 nan 0.000 0.436 664 S N 1.192 116.891 115.700 -0.002 0.000 2.383 664 S HA -0.225 4.231 4.470 -0.023 0.000 0.227 664 S C 2.038 176.673 174.600 0.059 0.000 1.026 664 S CA 0.936 59.186 58.200 0.083 0.000 0.981 664 S CB -0.956 62.300 63.200 0.094 0.000 0.818 664 S HN 0.706 nan 8.310 nan 0.000 0.472 665 V N -0.718 119.169 119.914 -0.045 0.000 2.591 665 V HA 0.050 4.156 4.120 -0.023 0.000 0.249 665 V C 2.025 178.019 176.094 -0.167 0.000 1.053 665 V CA 1.176 63.357 62.300 -0.198 0.000 1.068 665 V CB -1.057 30.399 31.823 -0.612 0.000 0.689 665 V HN 0.488 nan 8.190 nan 0.000 0.462 666 Y N 2.087 122.320 120.300 -0.111 0.000 2.130 666 Y HA -0.085 4.451 4.550 -0.023 0.000 0.287 666 Y C 2.686 178.542 175.900 -0.074 0.000 1.124 666 Y CA 2.656 60.752 58.100 -0.007 0.000 1.118 666 Y CB -0.591 38.064 38.460 0.324 0.000 0.994 666 Y HN 0.257 nan 8.280 nan 0.000 0.497 667 T N 0.496 115.246 114.554 0.325 0.000 2.652 667 T HA -0.214 4.122 4.350 -0.023 0.000 0.267 667 T C 1.528 176.177 174.700 -0.085 0.000 1.039 667 T CA 2.021 64.234 62.100 0.188 0.000 1.153 667 T CB -0.343 68.801 68.868 0.461 0.000 0.863 667 T HN 0.437 nan 8.240 nan 0.000 0.428 668 E N 0.393 120.577 120.200 -0.027 0.000 2.338 668 E HA -0.064 4.273 4.350 -0.023 0.000 0.197 668 E C 2.320 178.789 176.600 -0.219 0.000 1.007 668 E CA 0.290 56.670 56.400 -0.033 0.000 0.849 668 E CB -0.083 29.651 29.700 0.057 0.000 0.774 668 E HN 0.324 nan 8.360 nan 0.000 0.506 669 R N 0.084 120.273 120.500 -0.519 0.000 2.096 669 R HA -0.176 4.151 4.340 -0.023 0.000 0.235 669 R C 1.107 176.861 176.300 -0.910 0.000 1.127 669 R CA 1.486 57.077 56.100 -0.848 0.000 0.968 669 R CB 0.056 29.469 30.300 -1.478 0.000 0.861 669 R HN 0.241 nan 8.270 nan 0.000 0.440 670 Y N -2.183 117.805 120.300 -0.521 0.000 2.498 670 Y HA 0.228 4.764 4.550 -0.023 0.000 0.259 670 Y C 1.665 177.374 175.900 -0.317 0.000 1.086 670 Y CA 0.023 57.818 58.100 -0.509 0.000 1.287 670 Y CB 0.492 38.529 38.460 -0.705 0.000 1.146 670 Y HN -0.049 nan 8.280 nan 0.000 0.523 671 M N -0.581 118.910 119.600 -0.181 0.000 2.292 671 M HA 0.370 4.836 4.480 -0.023 0.000 0.286 671 M C 1.020 177.326 176.300 0.011 0.000 1.002 671 M CA 0.734 55.919 55.300 -0.191 0.000 1.029 671 M CB -0.096 32.203 32.600 -0.501 0.000 1.537 671 M HN 0.302 nan 8.290 nan 0.000 0.543 672 G N 1.962 110.788 108.800 0.043 0.000 2.692 672 G HA2 -0.203 3.743 3.960 -0.023 0.000 0.248 672 G HA3 -0.203 3.743 3.960 -0.023 0.000 0.248 672 G C -0.517 174.523 174.900 0.233 0.000 1.340 672 G CA -0.861 44.305 45.100 0.111 0.000 0.896 672 G HN 0.222 nan 8.290 nan 0.000 0.570 673 L N 1.858 123.182 121.223 0.169 0.000 2.371 673 L HA 0.400 4.726 4.340 -0.023 0.000 0.272 673 L C -1.307 175.601 176.870 0.064 0.000 1.124 673 L CA -1.757 53.148 54.840 0.109 0.000 0.816 673 L CB 0.680 42.761 42.059 0.037 0.000 1.129 673 L HN 0.446 nan 8.230 nan 0.000 0.448 674 P HA 0.090 nan 4.420 nan 0.000 0.230 674 P C -0.386 176.782 177.300 -0.220 0.000 1.791 674 P CA -0.079 62.642 63.100 -0.630 0.000 1.020 674 P CB -0.382 30.605 31.700 -1.189 0.000 1.977 675 T N -2.026 112.491 114.554 -0.062 0.000 2.916 675 T HA 0.495 4.831 4.350 -0.023 0.000 0.292 675 T C -2.316 172.393 174.700 0.014 0.000 1.055 675 T CA -2.477 59.608 62.100 -0.025 0.000 1.009 675 T CB 1.803 70.664 68.868 -0.013 0.000 1.118 675 T HN -0.286 nan 8.240 nan 0.000 0.497 676 P HA -0.034 nan 4.420 nan 0.000 0.219 676 P C 0.854 178.171 177.300 0.028 0.000 1.146 676 P CA 1.007 64.121 63.100 0.023 0.000 0.808 676 P CB 0.077 31.785 31.700 0.015 0.000 0.779 677 E N -1.675 118.538 120.200 0.022 0.000 2.371 677 E HA -0.065 4.271 4.350 -0.023 0.000 0.194 677 E C 1.344 177.964 176.600 0.033 0.000 1.012 677 E CA 0.654 57.067 56.400 0.022 0.000 0.860 677 E CB -0.229 29.479 29.700 0.013 0.000 0.811 677 E HN 0.261 nan 8.360 nan 0.000 0.502 678 D N -0.793 119.635 120.400 0.048 0.000 3.013 678 D HA 0.074 4.700 4.640 -0.023 0.000 0.235 678 D C 0.235 176.596 176.300 0.102 0.000 1.540 678 D CA 0.253 54.294 54.000 0.068 0.000 1.303 678 D CB 0.114 40.958 40.800 0.074 0.000 0.980 678 D HN -0.056 nan 8.370 nan 0.000 0.250 679 N N -0.028 118.773 118.700 0.167 0.000 2.387 679 N HA 0.111 4.837 4.740 -0.023 0.000 0.259 679 N C 0.865 176.587 175.510 0.352 0.000 1.369 679 N CA -0.070 53.119 53.050 0.232 0.000 0.867 679 N CB 0.288 38.914 38.487 0.232 0.000 1.341 679 N HN 0.067 nan 8.380 nan 0.000 0.495 680 L N 0.577 121.940 121.223 0.233 0.000 2.012 680 L HA -0.118 4.209 4.340 -0.023 0.000 0.210 680 L C 1.188 178.184 176.870 0.210 0.000 1.073 680 L CA 2.006 56.964 54.840 0.196 0.000 0.748 680 L CB -0.320 41.776 42.059 0.062 0.000 0.891 680 L HN 0.168 nan 8.230 nan 0.000 0.431 681 D N -1.594 118.901 120.400 0.157 0.000 2.158 681 D HA -0.275 4.351 4.640 -0.023 0.000 0.197 681 D C 2.038 178.434 176.300 0.160 0.000 0.995 681 D CA 1.829 55.907 54.000 0.131 0.000 0.846 681 D CB -0.282 40.582 40.800 0.106 0.000 0.941 681 D HN 0.572 nan 8.370 nan 0.000 0.456 682 H N -0.881 118.249 119.070 0.101 0.000 2.436 682 H HA -0.042 4.500 4.556 -0.023 0.000 0.294 682 H C 1.663 177.037 175.328 0.078 0.000 1.048 682 H CA 1.061 57.141 56.048 0.054 0.000 1.353 682 H CB -0.249 29.507 29.762 -0.010 0.000 1.414 682 H HN 0.124 nan 8.280 nan 0.000 0.536 683 Y N 0.206 120.515 120.300 0.014 0.000 2.207 683 Y HA -0.186 4.350 4.550 -0.023 0.000 0.287 683 Y C 2.852 178.720 175.900 -0.053 0.000 1.156 683 Y CA 1.753 59.856 58.100 0.005 0.000 1.182 683 Y CB -0.077 38.410 38.460 0.046 0.000 0.979 683 Y HN 0.116 nan 8.280 nan 0.000 0.521 684 R N 0.059 120.636 120.500 0.130 0.000 2.092 684 R HA -0.124 4.203 4.340 -0.023 0.000 0.231 684 R C 1.428 177.724 176.300 -0.008 0.000 1.119 684 R CA 1.578 57.709 56.100 0.051 0.000 0.970 684 R CB -0.040 30.296 30.300 0.060 0.000 0.864 684 R HN 0.271 nan 8.270 nan 0.000 0.440 685 N N -0.787 117.881 118.700 -0.053 0.000 2.424 685 N HA -0.057 4.669 4.740 -0.023 0.000 0.178 685 N C 0.832 176.269 175.510 -0.122 0.000 1.060 685 N CA 1.069 54.078 53.050 -0.069 0.000 0.901 685 N CB 0.562 39.033 38.487 -0.026 0.000 0.979 685 N HN 0.175 nan 8.380 nan 0.000 0.451 686 S N -0.992 114.588 115.700 -0.200 0.000 2.572 686 S HA 0.079 4.535 4.470 -0.023 0.000 0.228 686 S C 0.704 175.329 174.600 0.042 0.000 0.963 686 S CA -0.606 57.524 58.200 -0.115 0.000 0.939 686 S CB -0.774 62.284 63.200 -0.236 0.000 0.804 686 S HN 0.252 nan 8.310 nan 0.000 0.480 687 T N -0.635 113.906 114.554 -0.021 0.000 2.899 687 T HA 0.386 4.722 4.350 -0.023 0.000 0.295 687 T C 1.378 176.061 174.700 -0.029 0.000 1.033 687 T CA -0.127 61.951 62.100 -0.037 0.000 1.084 687 T CB 1.417 70.238 68.868 -0.078 0.000 0.979 687 T HN 0.491 nan 8.240 nan 0.000 0.532 688 V N 1.754 121.645 119.914 -0.039 0.000 2.951 688 V HA 0.037 4.144 4.120 -0.023 0.000 0.255 688 V C 2.216 178.277 176.094 -0.055 0.000 1.088 688 V CA 1.103 63.369 62.300 -0.055 0.000 1.109 688 V CB -1.077 30.704 31.823 -0.071 0.000 0.724 688 V HN 0.855 nan 8.190 nan 0.000 0.471 689 M N 2.411 121.964 119.600 -0.078 0.000 2.149 689 M HA -0.109 4.357 4.480 -0.023 0.000 0.261 689 M C 2.329 178.600 176.300 -0.049 0.000 1.064 689 M CA 2.287 57.535 55.300 -0.086 0.000 1.102 689 M CB -0.735 31.826 32.600 -0.065 0.000 1.369 689 M HN 0.713 nan 8.290 nan 0.000 0.408 690 S N -0.333 115.349 115.700 -0.030 0.000 2.555 690 S HA -0.021 4.435 4.470 -0.023 0.000 0.230 690 S C 1.569 176.172 174.600 0.005 0.000 0.978 690 S CA 0.453 58.645 58.200 -0.013 0.000 0.934 690 S CB -0.433 62.758 63.200 -0.015 0.000 0.766 690 S HN 0.528 nan 8.310 nan 0.000 0.533 691 R N 0.235 120.751 120.500 0.027 0.000 2.432 691 R HA 0.455 4.781 4.340 -0.023 0.000 0.260 691 R C 2.108 178.517 176.300 0.181 0.000 0.935 691 R CA 0.434 56.579 56.100 0.075 0.000 1.080 691 R CB -0.184 30.157 30.300 0.069 0.000 1.155 691 R HN 0.428 nan 8.270 nan 0.000 0.531 692 A N 2.011 124.887 122.820 0.093 0.000 1.884 692 A HA -0.317 3.989 4.320 -0.023 0.000 0.219 692 A C 2.058 179.743 177.584 0.168 0.000 1.197 692 A CA 2.105 54.176 52.037 0.056 0.000 0.637 692 A CB -0.403 18.558 19.000 -0.065 0.000 0.827 692 A HN 0.291 nan 8.150 nan 0.000 0.450 693 E N 0.386 120.645 120.200 0.099 0.000 2.169 693 E HA -0.244 4.092 4.350 -0.023 0.000 0.202 693 E C 1.533 178.194 176.600 0.103 0.000 1.016 693 E CA 2.119 58.570 56.400 0.085 0.000 0.817 693 E CB -0.510 29.220 29.700 0.050 0.000 0.736 693 E HN 0.747 nan 8.360 nan 0.000 0.462 694 N N -1.351 117.409 118.700 0.099 0.000 2.494 694 N HA -0.009 4.717 4.740 -0.023 0.000 0.182 694 N C 0.655 176.145 175.510 -0.033 0.000 1.076 694 N CA 0.380 53.434 53.050 0.007 0.000 0.908 694 N CB -0.092 38.349 38.487 -0.077 0.000 0.967 694 N HN 0.145 nan 8.380 nan 0.000 0.449 695 F N 1.268 121.180 119.950 -0.064 0.000 2.546 695 F HA 0.028 4.542 4.527 -0.023 0.000 0.298 695 F C 1.689 177.502 175.800 0.022 0.000 1.120 695 F CA 0.681 58.641 58.000 -0.066 0.000 1.456 695 F CB -0.020 38.901 39.000 -0.131 0.000 1.088 695 F HN -0.032 nan 8.300 nan 0.000 0.572 696 K N -0.077 120.427 120.400 0.174 0.000 2.360 696 K HA -0.190 4.116 4.320 -0.023 0.000 0.201 696 K C 1.504 178.156 176.600 0.087 0.000 1.046 696 K CA 1.041 57.404 56.287 0.127 0.000 0.940 696 K CB -0.219 32.337 32.500 0.093 0.000 0.748 696 K HN 0.447 nan 8.250 nan 0.000 0.465 697 Q N 0.274 120.101 119.800 0.045 0.000 2.392 697 Q HA 0.036 4.362 4.340 -0.023 0.000 0.203 697 Q C 0.278 176.299 176.000 0.036 0.000 0.917 697 Q CA 0.074 55.890 55.803 0.022 0.000 0.939 697 Q CB 0.808 29.536 28.738 -0.017 0.000 1.063 697 Q HN 0.139 nan 8.270 nan 0.000 0.516 698 V N -2.800 117.148 119.914 0.057 0.000 3.078 698 V HA 0.488 4.594 4.120 -0.023 0.000 0.311 698 V C -1.328 174.892 176.094 0.210 0.000 1.138 698 V CA -1.336 61.027 62.300 0.105 0.000 1.007 698 V CB 2.301 34.144 31.823 0.033 0.000 1.045 698 V HN -0.062 nan 8.190 nan 0.000 0.432 699 E N 2.027 122.377 120.200 0.251 0.000 2.167 699 E HA 0.464 4.801 4.350 -0.023 0.000 0.284 699 E C -1.586 175.403 176.600 0.648 0.000 1.016 699 E CA -0.194 56.422 56.400 0.359 0.000 0.817 699 E CB 1.267 31.073 29.700 0.175 0.000 1.080 699 E HN 0.660 nan 8.360 nan 0.000 0.397 700 Y N 3.222 123.818 120.300 0.494 0.000 2.393 700 Y HA 0.509 5.045 4.550 -0.024 0.000 0.341 700 Y C -1.492 174.532 175.900 0.207 0.000 0.988 700 Y CA -1.693 56.643 58.100 0.393 0.000 1.078 700 Y CB 1.051 39.764 38.460 0.422 0.000 1.203 700 Y HN 0.428 nan 8.280 nan 0.000 0.453 701 L N 7.379 128.311 121.223 -0.485 0.000 2.349 701 L HA 0.592 4.918 4.340 -0.023 0.000 0.278 701 L C -2.137 174.248 176.870 -0.808 0.000 0.996 701 L CA -0.763 53.643 54.840 -0.722 0.000 0.825 701 L CB 1.408 42.738 42.059 -1.215 0.000 1.243 701 L HN 0.617 nan 8.230 nan 0.000 0.412 702 L N 6.659 127.495 121.223 -0.645 0.000 2.298 702 L HA 0.690 5.016 4.340 -0.023 0.000 0.284 702 L C -1.174 175.562 176.870 -0.223 0.000 1.013 702 L CA 0.038 54.553 54.840 -0.542 0.000 0.824 702 L CB 1.061 42.799 42.059 -0.535 0.000 1.221 702 L HN 0.584 nan 8.230 nan 0.000 0.418 703 I N 4.441 124.897 120.570 -0.189 0.000 2.569 703 I HA 0.501 4.658 4.170 -0.023 0.000 0.296 703 I C -1.036 175.084 176.117 0.005 0.000 1.028 703 I CA -0.700 60.555 61.300 -0.075 0.000 1.082 703 I CB 1.990 39.907 38.000 -0.137 0.000 1.264 703 I HN 0.667 nan 8.210 nan 0.000 0.429 704 H N 2.141 121.279 119.070 0.113 0.000 3.123 704 H HA 0.468 5.010 4.556 -0.023 0.000 0.346 704 H C -0.415 175.164 175.328 0.419 0.000 1.138 704 H CA -0.621 55.556 56.048 0.216 0.000 1.273 704 H CB 1.880 31.744 29.762 0.170 0.000 1.926 704 H HN 0.760 nan 8.280 nan 0.000 0.524 705 G N 0.947 110.091 108.800 0.573 0.000 2.415 705 G HA2 0.234 4.180 3.960 -0.023 0.000 0.269 705 G HA3 0.234 4.180 3.960 -0.023 0.000 0.269 705 G C 1.114 176.270 174.900 0.426 0.000 1.209 705 G CA 0.148 45.528 45.100 0.467 0.000 0.835 705 G HN 0.740 nan 8.290 nan 0.000 0.534 706 T N -0.706 113.932 114.554 0.141 0.000 2.985 706 T HA 0.101 4.437 4.350 -0.023 0.000 0.266 706 T C 1.755 176.419 174.700 -0.060 0.000 1.076 706 T CA 1.193 63.196 62.100 -0.162 0.000 1.135 706 T CB 0.162 68.878 68.868 -0.253 0.000 0.890 706 T HN 0.676 nan 8.240 nan 0.000 0.480 707 A N 1.303 124.166 122.820 0.071 0.000 2.640 707 A HA 0.289 4.595 4.320 -0.023 0.000 0.282 707 A C 0.414 178.020 177.584 0.038 0.000 1.357 707 A CA -0.496 51.597 52.037 0.095 0.000 0.946 707 A CB -0.432 18.851 19.000 0.471 0.000 1.065 707 A HN 0.392 nan 8.150 nan 0.000 0.541 708 D N 1.424 121.839 120.400 0.025 0.000 2.344 708 D HA -0.002 4.624 4.640 -0.023 0.000 0.253 708 D C 0.250 176.544 176.300 -0.011 0.000 1.255 708 D CA 0.095 54.207 54.000 0.186 0.000 0.894 708 D CB 0.693 41.755 40.800 0.436 0.000 1.067 708 D HN 0.575 nan 8.370 nan 0.000 0.492 709 D N 2.451 122.896 120.400 0.074 0.000 2.333 709 D HA -0.131 4.495 4.640 -0.023 0.000 0.208 709 D C 0.976 177.267 176.300 -0.015 0.000 0.984 709 D CA -0.118 53.857 54.000 -0.041 0.000 0.873 709 D CB 0.443 41.162 40.800 -0.135 0.000 0.935 709 D HN 0.206 nan 8.370 nan 0.000 0.521 710 N N 1.197 119.988 118.700 0.152 0.000 2.297 710 N HA -0.097 4.629 4.740 -0.023 0.000 0.204 710 N C 0.302 175.768 175.510 -0.072 0.000 1.036 710 N CA 0.600 53.772 53.050 0.202 0.000 0.991 710 N CB 0.000 38.614 38.487 0.211 0.000 1.198 710 N HN 0.044 nan 8.380 nan 0.000 0.515 711 V N 3.129 123.049 119.914 0.009 0.000 2.353 711 V HA 0.247 4.353 4.120 -0.023 0.000 0.264 711 V C -0.721 175.455 176.094 0.136 0.000 1.049 711 V CA -0.499 61.836 62.300 0.058 0.000 0.896 711 V CB -0.936 30.921 31.823 0.056 0.000 1.025 711 V HN 0.345 nan 8.190 nan 0.000 0.475 712 H N 5.034 124.113 119.070 0.014 0.000 2.815 712 H HA 0.075 4.617 4.556 -0.023 0.000 0.350 712 H C 0.579 175.798 175.328 -0.181 0.000 1.080 712 H CA 0.629 56.603 56.048 -0.124 0.000 1.433 712 H CB 0.659 30.239 29.762 -0.302 0.000 1.432 712 H HN 0.776 nan 8.280 nan 0.000 0.592 713 F N 2.086 121.844 119.950 -0.320 0.000 2.225 713 F HA -0.322 4.191 4.527 -0.023 0.000 0.302 713 F C 2.556 178.059 175.800 -0.495 0.000 1.068 713 F CA 1.779 59.329 58.000 -0.749 0.000 1.327 713 F CB -0.194 38.584 39.000 -0.370 0.000 1.043 713 F HN 0.685 nan 8.300 nan 0.000 0.506 714 Q N 0.291 119.937 119.800 -0.257 0.000 2.103 714 Q HA -0.350 3.976 4.340 -0.023 0.000 0.213 714 Q C 2.104 177.843 176.000 -0.434 0.000 1.008 714 Q CA 2.629 58.228 55.803 -0.340 0.000 0.879 714 Q CB -0.481 28.035 28.738 -0.370 0.000 0.946 714 Q HN 0.602 nan 8.270 nan 0.000 0.413 715 Q N -0.353 119.241 119.800 -0.343 0.000 2.112 715 Q HA -0.137 4.190 4.340 -0.023 0.000 0.206 715 Q C 2.214 178.094 176.000 -0.200 0.000 0.987 715 Q CA 1.776 57.504 55.803 -0.124 0.000 0.858 715 Q CB -0.090 28.668 28.738 0.033 0.000 0.905 715 Q HN 0.354 nan 8.270 nan 0.000 0.420 716 S N 0.357 115.805 115.700 -0.420 0.000 2.470 716 S HA 0.074 4.530 4.470 -0.023 0.000 0.225 716 S C 1.960 176.256 174.600 -0.508 0.000 1.006 716 S CA 0.547 58.493 58.200 -0.423 0.000 0.934 716 S CB 0.067 63.000 63.200 -0.444 0.000 0.778 716 S HN 0.448 nan 8.310 nan 0.000 0.517 717 A N 1.538 123.974 122.820 -0.640 0.000 1.930 717 A HA -0.100 4.206 4.320 -0.023 0.000 0.217 717 A C 2.113 179.563 177.584 -0.223 0.000 1.175 717 A CA 1.020 52.815 52.037 -0.403 0.000 0.627 717 A CB -0.363 18.453 19.000 -0.307 0.000 0.815 717 A HN 0.352 nan 8.150 nan 0.000 0.443 718 Q N -0.437 119.245 119.800 -0.197 0.000 2.230 718 Q HA -0.006 4.321 4.340 -0.023 0.000 0.202 718 Q C 2.082 178.008 176.000 -0.124 0.000 0.963 718 Q CA 0.917 56.661 55.803 -0.098 0.000 0.866 718 Q CB -0.274 28.477 28.738 0.021 0.000 0.931 718 Q HN 0.780 nan 8.270 nan 0.000 0.452 719 I N 1.106 121.567 120.570 -0.182 0.000 2.133 719 I HA -0.281 3.875 4.170 -0.023 0.000 0.238 719 I C 2.620 178.526 176.117 -0.352 0.000 1.074 719 I CA 1.433 62.577 61.300 -0.261 0.000 1.342 719 I CB -0.564 37.281 38.000 -0.258 0.000 1.053 719 I HN 0.185 nan 8.210 nan 0.000 0.404 720 S N 1.101 116.595 115.700 -0.342 0.000 2.374 720 S HA -0.326 4.130 4.470 -0.023 0.000 0.227 720 S C 2.047 176.595 174.600 -0.088 0.000 1.037 720 S CA 1.844 59.868 58.200 -0.293 0.000 1.024 720 S CB -0.547 62.663 63.200 0.015 0.000 0.861 720 S HN 0.389 nan 8.310 nan 0.000 0.456 721 K N 1.627 121.984 120.400 -0.072 0.000 2.026 721 K HA 0.043 4.349 4.320 -0.023 0.000 0.208 721 K C 2.369 178.945 176.600 -0.040 0.000 1.048 721 K CA 1.140 57.413 56.287 -0.025 0.000 0.929 721 K CB -0.717 31.765 32.500 -0.030 0.000 0.713 721 K HN 0.454 nan 8.250 nan 0.000 0.439 722 A N 1.135 123.900 122.820 -0.092 0.000 1.933 722 A HA -0.126 4.180 4.320 -0.023 0.000 0.218 722 A C 2.089 179.617 177.584 -0.094 0.000 1.175 722 A CA 1.323 53.306 52.037 -0.090 0.000 0.628 722 A CB -0.596 18.334 19.000 -0.116 0.000 0.814 722 A HN 0.329 nan 8.150 nan 0.000 0.444 723 L N -0.690 120.432 121.223 -0.168 0.000 2.093 723 L HA -0.127 4.199 4.340 -0.023 0.000 0.208 723 L C 2.487 179.413 176.870 0.093 0.000 1.085 723 L CA 0.883 55.653 54.840 -0.116 0.000 0.755 723 L CB -0.560 41.272 42.059 -0.377 0.000 0.904 723 L HN 0.241 nan 8.230 nan 0.000 0.435 724 V N -0.182 119.817 119.914 0.141 0.000 2.407 724 V HA -0.277 3.829 4.120 -0.023 0.000 0.248 724 V C 1.954 178.097 176.094 0.081 0.000 1.055 724 V CA 1.802 64.194 62.300 0.154 0.000 1.049 724 V CB -0.487 31.422 31.823 0.143 0.000 0.662 724 V HN 0.412 nan 8.190 nan 0.000 0.455 725 D N 0.164 120.593 120.400 0.047 0.000 2.264 725 D HA -0.085 4.541 4.640 -0.023 0.000 0.208 725 D C 1.702 178.022 176.300 0.033 0.000 0.966 725 D CA 1.514 55.532 54.000 0.031 0.000 0.864 725 D CB 0.022 40.830 40.800 0.014 0.000 0.933 725 D HN 0.556 nan 8.370 nan 0.000 0.499 726 V N -3.935 116.002 119.914 0.039 0.000 3.376 726 V HA 0.511 4.617 4.120 -0.023 0.000 0.313 726 V C 1.236 177.367 176.094 0.062 0.000 1.393 726 V CA 0.205 62.531 62.300 0.044 0.000 1.125 726 V CB -0.021 31.826 31.823 0.040 0.000 1.037 726 V HN 0.118 nan 8.190 nan 0.000 0.440 727 G N 0.481 109.324 108.800 0.073 0.000 2.221 727 G HA2 -0.202 3.744 3.960 -0.023 0.000 0.265 727 G HA3 -0.202 3.744 3.960 -0.023 0.000 0.265 727 G C 0.040 175.004 174.900 0.107 0.000 1.041 727 G CA 0.479 45.627 45.100 0.081 0.000 0.807 727 G HN 1.430 nan 8.290 nan 0.000 0.502 728 V N -0.384 119.619 119.914 0.150 0.000 2.509 728 V HA 0.641 4.747 4.120 -0.023 0.000 0.284 728 V C 0.113 176.376 176.094 0.282 0.000 1.047 728 V CA -0.516 61.906 62.300 0.204 0.000 0.952 728 V CB 1.716 33.674 31.823 0.225 0.000 0.988 728 V HN 0.299 nan 8.190 nan 0.000 0.469 729 D N 5.484 126.019 120.400 0.224 0.000 2.225 729 D HA 0.538 5.165 4.640 -0.023 0.000 0.248 729 D C -0.514 175.966 176.300 0.300 0.000 1.096 729 D CA 0.102 54.196 54.000 0.156 0.000 0.863 729 D CB 0.758 41.601 40.800 0.071 0.000 1.156 729 D HN 0.504 nan 8.370 nan 0.000 0.450 730 F N 0.023 120.062 119.950 0.147 0.000 2.726 730 F HA 0.567 5.080 4.527 -0.024 0.000 0.324 730 F C -0.949 174.922 175.800 0.118 0.000 1.140 730 F CA -1.099 57.020 58.000 0.197 0.000 0.964 730 F CB 1.032 40.183 39.000 0.252 0.000 1.399 730 F HN 0.063 nan 8.300 nan 0.000 0.491 731 Q N 1.161 121.090 119.800 0.215 0.000 2.337 731 Q HA 0.736 5.062 4.340 -0.023 0.000 0.266 731 Q C -1.050 175.014 176.000 0.105 0.000 1.023 731 Q CA -1.193 54.641 55.803 0.050 0.000 0.829 731 Q CB 2.392 31.198 28.738 0.114 0.000 1.306 731 Q HN 0.945 nan 8.270 nan 0.000 0.449 732 A N 2.365 125.218 122.820 0.054 0.000 2.330 732 A HA 0.870 5.177 4.320 -0.023 0.000 0.329 732 A C -1.008 176.570 177.584 -0.010 0.000 1.135 732 A CA -0.570 51.528 52.037 0.102 0.000 0.817 732 A CB 1.542 20.687 19.000 0.242 0.000 1.269 732 A HN 0.669 nan 8.150 nan 0.000 0.469 733 M N 1.481 121.050 119.600 -0.051 0.000 2.255 733 M HA 0.513 4.979 4.480 -0.023 0.000 0.275 733 M C -1.785 174.424 176.300 -0.152 0.000 1.050 733 M CA -0.477 54.643 55.300 -0.300 0.000 0.978 733 M CB 1.143 33.501 32.600 -0.404 0.000 1.761 733 M HN 0.845 nan 8.290 nan 0.000 0.479 734 W N 4.347 125.537 121.300 -0.183 0.000 2.448 734 W HA 0.767 5.414 4.660 -0.022 0.000 0.339 734 W C -1.966 174.328 176.519 -0.376 0.000 1.124 734 W CA -0.775 56.527 57.345 -0.071 0.000 1.262 734 W CB 0.337 29.770 29.460 -0.045 0.000 1.251 734 W HN 0.600 nan 8.180 nan 0.000 0.597 735 Y N 2.172 122.593 120.300 0.202 0.000 2.338 735 Y HA 0.308 4.844 4.550 -0.024 0.000 0.328 735 Y C 0.433 176.427 175.900 0.156 0.000 0.965 735 Y CA -1.117 57.023 58.100 0.067 0.000 1.208 735 Y CB 1.573 40.049 38.460 0.028 0.000 1.132 735 Y HN 0.421 nan 8.280 nan 0.000 0.469 736 T N 4.786 119.497 114.554 0.262 0.000 2.829 736 T HA 0.021 4.358 4.350 -0.023 0.000 0.293 736 T C 0.118 174.864 174.700 0.077 0.000 0.970 736 T CA 0.549 62.736 62.100 0.146 0.000 1.168 736 T CB -0.060 68.831 68.868 0.039 0.000 0.911 736 T HN 0.731 nan 8.240 nan 0.000 0.535 737 D N 0.521 120.926 120.400 0.009 0.000 2.946 737 D HA -0.124 4.502 4.640 -0.023 0.000 0.202 737 D C 0.337 176.712 176.300 0.124 0.000 1.068 737 D CA 1.148 55.048 54.000 -0.167 0.000 1.011 737 D CB -0.454 40.052 40.800 -0.490 0.000 1.105 737 D HN 0.539 nan 8.370 nan 0.000 0.425 738 E N 1.107 121.419 120.200 0.187 0.000 2.373 738 E HA 0.309 4.645 4.350 -0.023 0.000 0.263 738 E C 0.811 177.584 176.600 0.287 0.000 1.073 738 E CA -0.015 56.527 56.400 0.237 0.000 0.894 738 E CB 0.906 30.738 29.700 0.219 0.000 1.008 738 E HN 0.421 nan 8.360 nan 0.000 0.420 739 D N -0.530 120.060 120.400 0.315 0.000 2.481 739 D HA -0.005 4.621 4.640 -0.023 0.000 0.283 739 D C 1.096 177.629 176.300 0.388 0.000 1.192 739 D CA -0.108 54.109 54.000 0.362 0.000 1.100 739 D CB -0.230 40.817 40.800 0.411 0.000 1.166 739 D HN 0.430 nan 8.370 nan 0.000 0.584 740 H N -1.686 117.576 119.070 0.319 0.000 2.456 740 H HA 0.126 4.668 4.556 -0.023 0.000 0.296 740 H C 1.882 177.480 175.328 0.450 0.000 1.079 740 H CA 2.063 58.322 56.048 0.352 0.000 1.322 740 H CB -0.355 29.607 29.762 0.333 0.000 1.388 740 H HN 0.469 nan 8.280 nan 0.000 0.538 741 G N -0.341 108.640 108.800 0.303 0.000 2.880 741 G HA2 0.043 3.989 3.960 -0.023 0.000 0.209 741 G HA3 0.043 3.989 3.960 -0.023 0.000 0.209 741 G C 0.507 175.582 174.900 0.291 0.000 1.157 741 G CA 0.199 45.400 45.100 0.167 0.000 0.779 741 G HN 0.506 nan 8.290 nan 0.000 0.539 742 I N 0.069 120.839 120.570 0.334 0.000 5.071 742 I HA -0.338 3.818 4.170 -0.023 0.000 0.126 742 I C 1.602 177.835 176.117 0.193 0.000 1.290 742 I CA 0.150 61.587 61.300 0.228 0.000 2.644 742 I CB -1.087 37.015 38.000 0.169 0.000 2.208 742 I HN 0.255 nan 8.210 nan 0.000 0.322 743 A N 1.099 124.018 122.820 0.164 0.000 2.252 743 A HA 0.253 4.559 4.320 -0.023 0.000 0.213 743 A C 1.182 178.823 177.584 0.094 0.000 1.188 743 A CA 0.181 52.292 52.037 0.123 0.000 0.863 743 A CB 0.259 19.318 19.000 0.097 0.000 0.893 743 A HN 0.453 nan 8.150 nan 0.000 0.495 744 S N 0.306 116.069 115.700 0.106 0.000 2.558 744 S HA 0.077 4.533 4.470 -0.023 0.000 0.287 744 S C 1.529 176.184 174.600 0.090 0.000 1.321 744 S CA 0.389 58.643 58.200 0.090 0.000 1.048 744 S CB 1.087 64.341 63.200 0.089 0.000 0.844 744 S HN 0.521 nan 8.310 nan 0.000 0.512 745 S N 2.091 117.831 115.700 0.066 0.000 2.369 745 S HA -0.192 4.264 4.470 -0.023 0.000 0.225 745 S C 2.396 177.056 174.600 0.100 0.000 1.043 745 S CA 2.225 60.464 58.200 0.065 0.000 1.074 745 S CB -0.743 62.479 63.200 0.037 0.000 0.962 745 S HN 0.985 nan 8.310 nan 0.000 0.433 746 T N -0.366 114.234 114.554 0.076 0.000 2.867 746 T HA 0.165 4.501 4.350 -0.023 0.000 0.268 746 T C 1.801 176.552 174.700 0.084 0.000 1.057 746 T CA 1.262 63.408 62.100 0.076 0.000 1.136 746 T CB -0.547 68.354 68.868 0.055 0.000 0.874 746 T HN 0.385 nan 8.240 nan 0.000 0.466 747 A N 1.044 123.893 122.820 0.049 0.000 1.970 747 A HA 0.049 4.355 4.320 -0.023 0.000 0.216 747 A C 2.128 179.651 177.584 -0.101 0.000 1.170 747 A CA 1.568 53.563 52.037 -0.070 0.000 0.645 747 A CB -1.075 17.860 19.000 -0.109 0.000 0.816 747 A HN 0.738 nan 8.150 nan 0.000 0.447 748 H N 0.081 119.133 119.070 -0.030 0.000 2.319 748 H HA -0.159 4.384 4.556 -0.023 0.000 0.299 748 H C 2.063 177.466 175.328 0.125 0.000 1.092 748 H CA 2.433 58.523 56.048 0.070 0.000 1.302 748 H CB -0.195 29.607 29.762 0.067 0.000 1.373 748 H HN 0.546 nan 8.280 nan 0.000 0.497 749 Q N -0.982 118.830 119.800 0.019 0.000 2.119 749 Q HA -0.173 4.154 4.340 -0.023 0.000 0.201 749 Q C 2.265 178.261 176.000 -0.005 0.000 0.972 749 Q CA 1.327 57.108 55.803 -0.037 0.000 0.847 749 Q CB -0.182 28.574 28.738 0.030 0.000 0.903 749 Q HN 0.639 nan 8.270 nan 0.000 0.433 750 H N 0.663 119.705 119.070 -0.046 0.000 2.293 750 H HA -0.105 4.438 4.556 -0.022 0.000 0.300 750 H C 2.120 177.445 175.328 -0.005 0.000 1.082 750 H CA 1.540 57.594 56.048 0.011 0.000 1.308 750 H CB -0.068 29.754 29.762 0.100 0.000 1.375 750 H HN 0.268 nan 8.280 nan 0.000 0.495 751 I N 0.292 120.829 120.570 -0.054 0.000 2.335 751 I HA -0.332 3.824 4.170 -0.023 0.000 0.251 751 I C 1.698 177.571 176.117 -0.406 0.000 1.129 751 I CA 1.320 62.502 61.300 -0.197 0.000 1.402 751 I CB -0.193 37.529 38.000 -0.464 0.000 1.069 751 I HN 0.222 nan 8.210 nan 0.000 0.424 752 Y N 0.332 120.432 120.300 -0.334 0.000 2.365 752 Y HA -0.155 4.381 4.550 -0.024 0.000 0.293 752 Y C 2.643 178.344 175.900 -0.333 0.000 1.119 752 Y CA 1.618 59.412 58.100 -0.509 0.000 1.203 752 Y CB -0.403 37.764 38.460 -0.487 0.000 1.026 752 Y HN 0.107 nan 8.280 nan 0.000 0.549 753 T N -1.489 113.002 114.554 -0.104 0.000 2.737 753 T HA -0.232 4.104 4.350 -0.023 0.000 0.265 753 T C 1.490 176.111 174.700 -0.131 0.000 1.038 753 T CA 1.869 63.880 62.100 -0.148 0.000 1.144 753 T CB -0.484 68.305 68.868 -0.132 0.000 0.866 753 T HN 0.357 nan 8.240 nan 0.000 0.434 754 H N 1.063 120.018 119.070 -0.192 0.000 2.290 754 H HA 0.050 4.593 4.556 -0.022 0.000 0.298 754 H C 2.226 177.523 175.328 -0.051 0.000 1.087 754 H CA 1.728 57.718 56.048 -0.095 0.000 1.291 754 H CB -0.386 29.300 29.762 -0.126 0.000 1.369 754 H HN 0.245 nan 8.280 nan 0.000 0.492 755 M N -0.819 118.692 119.600 -0.148 0.000 2.149 755 M HA -0.191 4.276 4.480 -0.023 0.000 0.261 755 M C 2.438 178.812 176.300 0.124 0.000 1.064 755 M CA 1.670 56.859 55.300 -0.186 0.000 1.102 755 M CB -0.040 32.172 32.600 -0.647 0.000 1.369 755 M HN 0.193 nan 8.290 nan 0.000 0.408 756 S N -0.745 115.054 115.700 0.164 0.000 2.382 756 S HA -0.176 4.280 4.470 -0.023 0.000 0.228 756 S C 1.532 176.203 174.600 0.118 0.000 1.027 756 S CA 1.299 59.687 58.200 0.312 0.000 0.991 756 S CB -0.562 62.787 63.200 0.249 0.000 0.823 756 S HN 0.571 nan 8.310 nan 0.000 0.469 757 H N -0.715 118.416 119.070 0.102 0.000 2.357 757 H HA 0.004 4.545 4.556 -0.024 0.000 0.301 757 H C 1.895 177.231 175.328 0.013 0.000 1.082 757 H CA 1.482 57.549 56.048 0.032 0.000 1.342 757 H CB -0.175 29.566 29.762 -0.035 0.000 1.389 757 H HN 0.376 nan 8.280 nan 0.000 0.511 758 F N 1.119 121.045 119.950 -0.041 0.000 2.069 758 F HA -0.239 4.276 4.527 -0.020 0.000 0.298 758 F C 1.991 177.739 175.800 -0.087 0.000 1.113 758 F CA 1.142 59.090 58.000 -0.088 0.000 1.214 758 F CB -0.166 38.754 39.000 -0.132 0.000 0.978 758 F HN 0.044 nan 8.300 nan 0.000 0.474 759 I N 0.666 121.305 120.570 0.114 0.000 2.179 759 I HA -0.278 3.878 4.170 -0.023 0.000 0.242 759 I C 2.301 178.265 176.117 -0.255 0.000 1.088 759 I CA 1.465 62.661 61.300 -0.173 0.000 1.357 759 I CB -1.380 36.595 38.000 -0.042 0.000 1.051 759 I HN 0.221 nan 8.210 nan 0.000 0.409 760 K N 0.665 121.047 120.400 -0.030 0.000 2.032 760 K HA -0.265 4.041 4.320 -0.023 0.000 0.209 760 K C 2.089 178.690 176.600 0.003 0.000 1.048 760 K CA 2.095 58.406 56.287 0.040 0.000 0.927 760 K CB -0.239 32.333 32.500 0.121 0.000 0.712 760 K HN 0.512 nan 8.250 nan 0.000 0.441 761 Q N 0.794 120.557 119.800 -0.062 0.000 2.020 761 Q HA -0.182 4.144 4.340 -0.023 0.000 0.202 761 Q C 2.326 178.249 176.000 -0.129 0.000 0.982 761 Q CA 1.998 57.746 55.803 -0.091 0.000 0.838 761 Q CB -1.216 27.449 28.738 -0.121 0.000 0.899 761 Q HN 0.331 nan 8.270 nan 0.000 0.423 762 c N -0.332 118.087 118.600 -0.303 0.000 2.398 762 c HA -0.102 4.454 4.570 -0.023 0.000 0.279 762 c C 1.545 175.681 174.090 0.077 0.000 1.250 762 c CA 0.647 56.821 56.329 -0.259 0.000 1.786 762 c CB -1.304 40.890 42.510 -0.527 0.000 2.018 762 c HN 0.648 nan 8.230 nan 0.000 0.494 763 F N 1.029 120.953 119.950 -0.043 0.000 2.653 763 F HA 0.292 4.807 4.527 -0.020 0.000 0.304 763 F C 1.566 177.359 175.800 -0.012 0.000 1.092 763 F CA 0.168 58.161 58.000 -0.011 0.000 1.279 763 F CB -1.143 37.861 39.000 0.007 0.000 1.044 763 F HN 0.169 nan 8.300 nan 0.000 0.564 764 S N 1.183 116.974 115.700 0.152 0.000 3.614 764 S HA -0.200 4.256 4.470 -0.023 0.000 0.360 764 S C 0.006 174.655 174.600 0.082 0.000 1.023 764 S CA 0.150 58.399 58.200 0.081 0.000 1.114 764 S CB -1.928 61.306 63.200 0.057 0.000 0.907 764 S HN 0.222 nan 8.310 nan 0.000 0.470 765 L N 1.869 123.153 121.223 0.103 0.000 2.307 765 L HA 0.521 4.848 4.340 -0.023 0.000 0.282 765 L C -1.010 175.907 176.870 0.078 0.000 1.051 765 L CA -1.929 52.966 54.840 0.092 0.000 0.804 765 L CB 0.463 42.593 42.059 0.118 0.000 1.197 765 L HN 0.085 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726