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 3g0c_1_A DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KXXXNILVFN AEYGNSSVFL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.675 176.600 0.126 0.000 0.988 41 K CA 0.000 56.353 56.287 0.109 0.000 0.838 41 K CB 0.000 32.568 32.500 0.114 0.000 1.064 42 T N -2.098 112.543 114.554 0.145 0.000 2.926 42 T HA 0.373 4.723 4.350 -0.001 0.000 0.289 42 T C -1.079 173.764 174.700 0.237 0.000 1.054 42 T CA -0.757 61.444 62.100 0.169 0.000 1.015 42 T CB 0.959 69.922 68.868 0.159 0.000 1.167 42 T HN 0.530 nan 8.240 nan 0.000 0.526 43 Y N 2.715 123.091 120.300 0.127 0.000 2.486 43 Y HA 0.405 4.955 4.550 -0.001 0.000 0.348 43 Y C 0.801 176.870 175.900 0.281 0.000 1.000 43 Y CA -0.120 58.097 58.100 0.195 0.000 1.253 43 Y CB -0.003 38.525 38.460 0.114 0.000 1.140 43 Y HN 1.000 nan 8.280 nan 0.000 0.526 44 T N 2.845 117.395 114.554 -0.006 0.000 2.936 44 T HA 0.180 4.529 4.350 -0.001 0.000 0.282 44 T C 0.869 175.444 174.700 -0.207 0.000 1.003 44 T CA -0.862 61.270 62.100 0.052 0.000 1.005 44 T CB 1.411 70.293 68.868 0.022 0.000 1.097 44 T HN 0.661 nan 8.240 nan 0.000 0.532 45 L N 1.191 122.125 121.223 -0.482 0.000 2.042 45 L HA -0.015 4.325 4.340 -0.001 0.000 0.210 45 L C 2.584 179.296 176.870 -0.263 0.000 1.076 45 L CA 2.223 56.670 54.840 -0.655 0.000 0.749 45 L CB -1.650 39.911 42.059 -0.830 0.000 0.893 45 L HN 0.970 nan 8.230 nan 0.000 0.432 46 T N -0.252 114.177 114.554 -0.209 0.000 2.635 46 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 46 T C 1.510 176.108 174.700 -0.171 0.000 1.040 46 T CA 1.635 63.644 62.100 -0.153 0.000 1.156 46 T CB -0.483 68.320 68.868 -0.108 0.000 0.863 46 T HN 0.419 nan 8.240 nan 0.000 0.430 47 D N 0.086 120.355 120.400 -0.219 0.000 2.154 47 D HA -0.146 4.494 4.640 -0.001 0.000 0.190 47 D C 1.765 177.939 176.300 -0.211 0.000 1.003 47 D CA 1.448 55.279 54.000 -0.282 0.000 0.849 47 D CB -0.570 39.965 40.800 -0.441 0.000 0.942 47 D HN 0.484 nan 8.370 nan 0.000 0.446 48 Y N 1.229 121.303 120.300 -0.377 0.000 2.181 48 Y HA -0.120 4.430 4.550 -0.001 0.000 0.288 48 Y C 2.235 178.124 175.900 -0.019 0.000 1.146 48 Y CA 1.230 59.299 58.100 -0.051 0.000 1.164 48 Y CB -0.529 37.979 38.460 0.080 0.000 0.982 48 Y HN -0.058 nan 8.280 nan 0.000 0.515 49 L N -0.255 120.777 121.223 -0.320 0.000 2.044 49 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 49 L C 1.776 178.523 176.870 -0.206 0.000 1.075 49 L CA 1.456 56.077 54.840 -0.365 0.000 0.747 49 L CB -0.405 41.513 42.059 -0.234 0.000 0.903 49 L HN -0.029 nan 8.230 nan 0.000 0.435 50 K N 0.396 120.707 120.400 -0.149 0.000 2.504 50 K HA 0.049 4.369 4.320 -0.001 0.000 0.199 50 K C 0.120 176.664 176.600 -0.095 0.000 1.028 50 K CA -0.021 56.203 56.287 -0.105 0.000 1.164 50 K CB -0.712 31.731 32.500 -0.094 0.000 0.877 50 K HN 0.158 nan 8.250 nan 0.000 0.508 51 N N 0.500 119.144 118.700 -0.092 0.000 2.699 51 N HA -0.260 4.479 4.740 -0.001 0.000 0.256 51 N C -0.180 175.308 175.510 -0.036 0.000 0.993 51 N CA 0.393 53.429 53.050 -0.025 0.000 0.759 51 N CB -0.211 38.266 38.487 -0.016 0.000 0.906 51 N HN 0.210 nan 8.380 nan 0.000 0.541 52 T N -0.000 114.485 114.554 -0.115 0.000 2.708 52 T HA -0.154 4.196 4.350 -0.001 0.000 0.266 52 T C 0.192 174.702 174.700 -0.317 0.000 1.037 52 T CA 1.332 63.256 62.100 -0.294 0.000 1.146 52 T CB -0.106 68.444 68.868 -0.530 0.000 0.865 52 T HN 0.359 nan 8.240 nan 0.000 0.435 53 Y N 1.997 122.388 120.300 0.152 0.000 2.434 53 Y HA 0.447 4.996 4.550 -0.001 0.000 0.341 53 Y C 0.591 176.602 175.900 0.184 0.000 0.965 53 Y CA -0.950 57.266 58.100 0.192 0.000 1.205 53 Y CB 0.295 38.929 38.460 0.291 0.000 1.121 53 Y HN -0.139 nan 8.280 nan 0.000 0.507 54 R N 3.264 123.912 120.500 0.247 0.000 2.349 54 R HA 0.473 4.812 4.340 -0.001 0.000 0.299 54 R C -0.898 175.520 176.300 0.197 0.000 1.027 54 R CA -0.854 55.356 56.100 0.183 0.000 0.958 54 R CB 1.214 31.581 30.300 0.112 0.000 1.047 54 R HN 0.622 nan 8.270 nan 0.000 0.468 55 L N 3.754 125.090 121.223 0.188 0.000 2.261 55 L HA 0.253 4.593 4.340 -0.001 0.000 0.289 55 L C 0.465 177.423 176.870 0.146 0.000 1.059 55 L CA -0.181 54.774 54.840 0.192 0.000 0.816 55 L CB 0.659 42.848 42.059 0.218 0.000 1.191 55 L HN 0.340 nan 8.230 nan 0.000 0.431 56 K N 2.910 123.389 120.400 0.132 0.000 2.350 56 K HA 0.346 4.666 4.320 -0.001 0.000 0.279 56 K C -0.551 176.084 176.600 0.058 0.000 1.027 56 K CA -0.431 55.910 56.287 0.089 0.000 0.969 56 K CB 0.903 33.454 32.500 0.085 0.000 0.954 56 K HN 0.283 nan 8.250 nan 0.000 0.474 57 L N 2.399 123.604 121.223 -0.029 0.000 2.299 57 L HA 0.395 4.734 4.340 -0.001 0.000 0.268 57 L C -0.965 175.705 176.870 -0.334 0.000 1.012 57 L CA -0.480 54.224 54.840 -0.226 0.000 0.816 57 L CB 0.653 42.669 42.059 -0.072 0.000 1.355 57 L HN 0.485 nan 8.230 nan 0.000 0.457 58 Y N 0.160 120.002 120.300 -0.763 0.000 2.484 58 Y HA 0.427 4.976 4.550 -0.001 0.000 0.348 58 Y C -0.787 174.977 175.900 -0.227 0.000 1.103 58 Y CA -0.486 57.359 58.100 -0.426 0.000 1.317 58 Y CB 1.088 39.155 38.460 -0.655 0.000 1.096 58 Y HN 0.476 nan 8.280 nan 0.000 0.568 59 S N 5.612 121.294 115.700 -0.030 0.000 2.475 59 S HA 0.682 5.152 4.470 -0.001 0.000 0.281 59 S C -0.903 173.686 174.600 -0.019 0.000 1.198 59 S CA -0.548 57.647 58.200 -0.007 0.000 1.063 59 S CB 0.509 63.707 63.200 -0.004 0.000 0.972 59 S HN 0.555 nan 8.310 nan 0.000 0.486 60 L N 1.038 122.207 121.223 -0.091 0.000 2.401 60 L HA 0.735 5.074 4.340 -0.001 0.000 0.266 60 L C -0.635 176.154 176.870 -0.134 0.000 0.991 60 L CA -0.944 53.790 54.840 -0.178 0.000 0.818 60 L CB 1.367 43.031 42.059 -0.659 0.000 1.321 60 L HN 0.379 nan 8.230 nan 0.000 0.413 61 R N 1.930 122.417 120.500 -0.021 0.000 2.246 61 R HA 0.384 4.724 4.340 -0.001 0.000 0.332 61 R C -1.446 174.910 176.300 0.092 0.000 0.974 61 R CA -0.335 55.803 56.100 0.063 0.000 0.837 61 R CB 0.910 31.288 30.300 0.129 0.000 1.145 61 R HN 0.678 nan 8.270 nan 0.000 0.467 62 W N 3.208 124.620 121.300 0.186 0.000 2.223 62 W HA -0.009 4.651 4.660 -0.001 0.000 0.334 62 W C 1.081 177.690 176.519 0.150 0.000 1.334 62 W CA -0.173 57.292 57.345 0.201 0.000 1.246 62 W CB 0.277 29.854 29.460 0.195 0.000 1.184 62 W HN 0.544 nan 8.180 nan 0.000 0.563 63 I N 1.844 122.637 120.570 0.372 0.000 3.616 63 I HA -0.020 4.150 4.170 -0.001 0.000 0.296 63 I C 1.025 177.254 176.117 0.188 0.000 1.226 63 I CA 0.809 62.224 61.300 0.192 0.000 1.394 63 I CB -0.070 37.956 38.000 0.043 0.000 1.171 63 I HN 0.387 nan 8.210 nan 0.000 0.442 64 S N -2.095 113.756 115.700 0.251 0.000 3.341 64 S HA 0.322 4.792 4.470 -0.001 0.000 0.326 64 S C 0.196 174.958 174.600 0.270 0.000 1.178 64 S CA -0.436 57.895 58.200 0.219 0.000 1.002 64 S CB 0.815 64.113 63.200 0.164 0.000 1.385 64 S HN -0.061 nan 8.310 nan 0.000 0.710 65 D N 0.171 120.752 120.400 0.302 0.000 2.339 65 D HA 0.185 4.824 4.640 -0.001 0.000 0.217 65 D C 0.825 177.399 176.300 0.457 0.000 1.050 65 D CA 0.588 54.741 54.000 0.255 0.000 0.856 65 D CB 0.028 40.930 40.800 0.170 0.000 0.922 65 D HN 0.679 nan 8.370 nan 0.000 0.518 66 H N -2.209 117.052 119.070 0.318 0.000 3.566 66 H HA 0.371 4.927 4.556 -0.001 0.000 0.259 66 H C -0.479 175.025 175.328 0.293 0.000 1.184 66 H CA -0.292 55.965 56.048 0.348 0.000 1.107 66 H CB -0.060 29.875 29.762 0.289 0.000 1.726 66 H HN 0.006 nan 8.280 nan 0.000 0.743 67 E N 1.011 121.301 120.200 0.150 0.000 2.317 67 E HA 0.439 4.789 4.350 -0.001 0.000 0.270 67 E C -1.499 175.236 176.600 0.225 0.000 0.885 67 E CA -1.176 55.228 56.400 0.006 0.000 0.760 67 E CB 3.078 32.636 29.700 -0.237 0.000 1.227 67 E HN 0.276 nan 8.360 nan 0.000 0.434 68 Y N -0.703 119.589 120.300 -0.014 0.000 2.597 68 Y HA 0.617 5.167 4.550 -0.001 0.000 0.340 68 Y C -1.653 174.215 175.900 -0.054 0.000 1.097 68 Y CA -1.278 56.739 58.100 -0.137 0.000 1.037 68 Y CB 0.855 38.955 38.460 -0.601 0.000 1.305 68 Y HN 0.364 nan 8.280 nan 0.000 0.463 69 L N 2.405 123.743 121.223 0.192 0.000 2.360 69 L HA 0.480 4.819 4.340 -0.001 0.000 0.271 69 L C -1.401 175.682 176.870 0.355 0.000 1.057 69 L CA -1.082 53.855 54.840 0.161 0.000 0.803 69 L CB 1.612 43.709 42.059 0.064 0.000 1.207 69 L HN 0.792 nan 8.230 nan 0.000 0.445 70 Y N 2.757 123.144 120.300 0.145 0.000 2.317 70 Y HA 0.281 4.830 4.550 -0.001 0.000 0.325 70 Y C -0.010 175.903 175.900 0.022 0.000 1.066 70 Y CA -0.967 57.167 58.100 0.058 0.000 1.203 70 Y CB 1.114 39.615 38.460 0.069 0.000 1.127 70 Y HN 0.478 nan 8.280 nan 0.000 0.451 76 I N 1.472 121.993 120.570 -0.082 0.000 2.404 76 I HA 0.413 4.583 4.170 -0.001 0.000 0.293 76 I C -0.502 175.610 176.117 -0.009 0.000 0.992 76 I CA -0.765 60.485 61.300 -0.083 0.000 1.149 76 I CB 1.193 39.093 38.000 -0.167 0.000 1.315 76 I HN 0.162 nan 8.210 nan 0.000 0.446 77 L N 6.455 127.689 121.223 0.018 0.000 2.344 77 L HA 0.599 4.939 4.340 -0.001 0.000 0.272 77 L C -0.116 176.715 176.870 -0.065 0.000 1.035 77 L CA -0.920 53.894 54.840 -0.044 0.000 0.807 77 L CB 1.709 43.685 42.059 -0.138 0.000 1.237 77 L HN 0.218 nan 8.230 nan 0.000 0.442 78 V N 1.259 121.058 119.914 -0.191 0.000 2.435 78 V HA 0.478 4.598 4.120 -0.001 0.000 0.290 78 V C -0.466 175.398 176.094 -0.384 0.000 1.030 78 V CA -0.586 61.567 62.300 -0.245 0.000 0.881 78 V CB 1.368 33.047 31.823 -0.240 0.000 0.983 78 V HN 0.388 nan 8.190 nan 0.000 0.445 79 F N 2.158 121.799 119.950 -0.515 0.000 2.480 79 F HA 0.433 4.960 4.527 -0.001 0.000 0.329 79 F C 0.505 175.989 175.800 -0.527 0.000 1.091 79 F CA -0.503 57.142 58.000 -0.591 0.000 0.972 79 F CB 1.636 39.999 39.000 -1.062 0.000 1.150 79 F HN 0.496 nan 8.300 nan 0.000 0.467 80 N N 1.444 120.081 118.700 -0.105 0.000 2.414 80 N HA 0.391 5.130 4.740 -0.001 0.000 0.256 80 N C 0.658 176.126 175.510 -0.069 0.000 1.029 80 N CA -0.036 52.985 53.050 -0.049 0.000 0.948 80 N CB 1.240 39.798 38.487 0.120 0.000 1.102 80 N HN 0.791 nan 8.380 nan 0.000 0.496 81 A N 3.284 126.027 122.820 -0.127 0.000 1.972 81 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 81 A C 1.975 179.283 177.584 -0.460 0.000 1.169 81 A CA 1.092 52.972 52.037 -0.261 0.000 0.635 81 A CB -0.300 18.430 19.000 -0.449 0.000 0.810 81 A HN 0.750 nan 8.150 nan 0.000 0.446 82 E N -0.622 119.293 120.200 -0.474 0.000 2.023 82 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 82 E C 1.640 177.938 176.600 -0.504 0.000 1.003 82 E CA 1.791 57.839 56.400 -0.587 0.000 0.809 82 E CB -0.348 28.720 29.700 -1.055 0.000 0.755 82 E HN 0.835 nan 8.360 nan 0.000 0.449 83 Y N -1.771 118.534 120.300 0.009 0.000 2.507 83 Y HA 0.317 4.867 4.550 -0.001 0.000 0.263 83 Y C 1.716 177.628 175.900 0.019 0.000 1.093 83 Y CA 0.414 58.523 58.100 0.015 0.000 1.285 83 Y CB 0.397 38.867 38.460 0.018 0.000 1.115 83 Y HN 0.193 nan 8.280 nan 0.000 0.533 84 G N 0.995 109.885 108.800 0.149 0.000 2.179 84 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.260 84 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.260 84 G C 0.046 175.068 174.900 0.204 0.000 0.977 84 G CA 0.162 45.373 45.100 0.185 0.000 0.641 84 G HN 0.488 nan 8.290 nan 0.000 0.533 85 N N 0.603 119.382 118.700 0.131 0.000 2.482 85 N HA 0.491 5.230 4.740 -0.001 0.000 0.260 85 N C -0.078 175.337 175.510 -0.158 0.000 1.236 85 N CA 0.774 53.829 53.050 0.009 0.000 0.938 85 N CB 1.379 39.873 38.487 0.012 0.000 1.128 85 N HN 1.034 nan 8.380 nan 0.000 0.448 86 S N -1.032 114.491 115.700 -0.294 0.000 2.540 86 S HA 0.586 5.055 4.470 -0.001 0.000 0.275 86 S C -0.772 173.644 174.600 -0.307 0.000 1.123 86 S CA -0.924 56.967 58.200 -0.514 0.000 0.907 86 S CB 1.038 63.540 63.200 -1.164 0.000 1.081 86 S HN 0.869 nan 8.310 nan 0.000 0.476 87 S N 1.045 116.597 115.700 -0.247 0.000 2.607 87 S HA 0.769 5.239 4.470 -0.001 0.000 0.303 87 S C -0.382 174.147 174.600 -0.118 0.000 1.086 87 S CA -0.877 57.237 58.200 -0.143 0.000 0.995 87 S CB 1.065 64.216 63.200 -0.081 0.000 1.084 87 S HN 0.930 nan 8.310 nan 0.000 0.507 88 V N 2.985 122.852 119.914 -0.079 0.000 2.508 88 V HA 0.199 4.319 4.120 -0.001 0.000 0.281 88 V C 0.717 176.824 176.094 0.021 0.000 1.041 88 V CA -0.166 62.106 62.300 -0.047 0.000 1.016 88 V CB -0.114 31.669 31.823 -0.068 0.000 0.984 88 V HN 0.978 nan 8.190 nan 0.000 0.478 89 F N 4.338 124.208 119.950 -0.133 0.000 2.147 89 F HA 0.303 4.830 4.527 -0.001 0.000 0.291 89 F C 0.547 176.272 175.800 -0.125 0.000 1.093 89 F CA 0.882 58.810 58.000 -0.120 0.000 1.263 89 F CB 0.524 39.453 39.000 -0.119 0.000 1.036 89 F HN 0.298 nan 8.300 nan 0.000 0.481 90 L N -0.038 121.124 121.223 -0.102 0.000 2.505 90 L HA 0.274 4.614 4.340 -0.001 0.000 0.259 90 L C -1.088 175.683 176.870 -0.165 0.000 0.952 90 L CA -0.774 53.935 54.840 -0.219 0.000 0.840 90 L CB 1.963 43.851 42.059 -0.285 0.000 1.358 90 L HN -0.268 nan 8.230 nan 0.000 0.409 91 E N 0.786 120.866 120.200 -0.201 0.000 2.354 91 E HA 0.153 4.503 4.350 -0.001 0.000 0.269 91 E C 0.417 176.903 176.600 -0.190 0.000 1.036 91 E CA -0.107 56.195 56.400 -0.163 0.000 0.876 91 E CB 0.575 30.182 29.700 -0.154 0.000 1.009 91 E HN 0.549 nan 8.360 nan 0.000 0.416 92 N N 0.282 118.925 118.700 -0.095 0.000 2.521 92 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 92 N C 0.596 176.079 175.510 -0.046 0.000 1.146 92 N CA 0.452 53.494 53.050 -0.013 0.000 0.893 92 N CB 0.016 38.528 38.487 0.042 0.000 0.975 92 N HN 0.261 nan 8.380 nan 0.000 0.451 93 S N -2.256 113.373 115.700 -0.118 0.000 2.593 93 S HA 0.054 4.524 4.470 -0.001 0.000 0.217 93 S C 1.257 175.724 174.600 -0.221 0.000 0.966 93 S CA -0.066 58.062 58.200 -0.119 0.000 0.914 93 S CB -0.580 62.564 63.200 -0.094 0.000 0.776 93 S HN 0.199 nan 8.310 nan 0.000 0.523 94 T N 1.561 115.855 114.554 -0.434 0.000 2.904 94 T HA 0.142 4.492 4.350 -0.001 0.000 0.267 94 T C 0.180 174.398 174.700 -0.804 0.000 1.059 94 T CA 0.846 62.508 62.100 -0.730 0.000 1.137 94 T CB -0.379 67.776 68.868 -1.188 0.000 0.879 94 T HN 0.579 nan 8.240 nan 0.000 0.467 95 F N 1.092 120.942 119.950 -0.166 0.000 2.837 95 F HA 0.393 4.920 4.527 -0.001 0.000 0.298 95 F C 1.191 177.002 175.800 0.019 0.000 1.161 95 F CA -1.467 56.468 58.000 -0.108 0.000 1.353 95 F CB -0.441 38.397 39.000 -0.270 0.000 0.951 95 F HN -0.031 nan 8.300 nan 0.000 0.508 96 D N 1.203 121.637 120.400 0.057 0.000 2.116 96 D HA -0.189 4.451 4.640 -0.001 0.000 0.193 96 D C 1.691 178.035 176.300 0.074 0.000 0.998 96 D CA 1.677 55.704 54.000 0.045 0.000 0.836 96 D CB 0.203 40.995 40.800 -0.013 0.000 0.951 96 D HN 0.398 nan 8.370 nan 0.000 0.449 97 E N -1.229 119.022 120.200 0.086 0.000 2.479 97 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 97 E C 1.417 178.082 176.600 0.109 0.000 1.049 97 E CA -0.413 56.028 56.400 0.068 0.000 0.870 97 E CB -0.026 29.702 29.700 0.047 0.000 0.944 97 E HN 0.381 nan 8.360 nan 0.000 0.492 98 F N 1.352 121.314 119.950 0.020 0.000 2.147 98 F HA -0.295 4.231 4.527 -0.001 0.000 0.301 98 F C 1.804 177.516 175.800 -0.148 0.000 1.084 98 F CA 1.687 59.688 58.000 0.002 0.000 1.268 98 F CB 0.033 39.069 39.000 0.061 0.000 1.009 98 F HN 0.231 nan 8.300 nan 0.000 0.486 99 G N -1.332 107.310 108.800 -0.264 0.000 2.234 99 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 99 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 99 G C 0.143 174.631 174.900 -0.688 0.000 0.987 99 G CA 0.415 45.225 45.100 -0.484 0.000 0.625 99 G HN 0.543 nan 8.290 nan 0.000 0.532 100 H N 0.027 118.723 119.070 -0.622 0.000 2.569 100 H HA 0.622 5.177 4.556 -0.001 0.000 0.357 100 H C -0.392 174.869 175.328 -0.111 0.000 1.153 100 H CA -0.065 55.676 56.048 -0.512 0.000 1.193 100 H CB 1.739 30.826 29.762 -1.125 0.000 1.602 100 H HN 0.104 nan 8.280 nan 0.000 0.523 101 S N 2.465 118.245 115.700 0.134 0.000 2.405 101 S HA 0.188 4.657 4.470 -0.001 0.000 0.291 101 S C 0.123 174.837 174.600 0.190 0.000 1.137 101 S CA -0.726 57.560 58.200 0.144 0.000 1.061 101 S CB -1.030 62.231 63.200 0.101 0.000 1.001 101 S HN 0.281 nan 8.310 nan 0.000 0.507 102 I N 5.531 126.210 120.570 0.181 0.000 2.533 102 I HA 0.188 4.358 4.170 -0.001 0.000 0.284 102 I C 1.337 177.495 176.117 0.069 0.000 1.109 102 I CA 0.131 61.511 61.300 0.133 0.000 1.412 102 I CB 0.654 38.650 38.000 -0.007 0.000 1.396 102 I HN 0.578 nan 8.210 nan 0.000 0.543 103 N N 2.792 121.525 118.700 0.055 0.000 2.428 103 N HA 0.038 4.777 4.740 -0.001 0.000 0.181 103 N C -0.198 175.286 175.510 -0.044 0.000 1.028 103 N CA 0.820 53.848 53.050 -0.037 0.000 0.877 103 N CB 0.494 38.923 38.487 -0.097 0.000 1.064 103 N HN 0.683 nan 8.380 nan 0.000 0.434 104 D N -1.879 118.525 120.400 0.006 0.000 2.609 104 D HA 0.154 4.794 4.640 -0.001 0.000 0.239 104 D C -1.419 174.939 176.300 0.097 0.000 1.229 104 D CA -0.503 53.507 54.000 0.016 0.000 0.808 104 D CB 1.284 42.057 40.800 -0.044 0.000 1.448 104 D HN 0.103 nan 8.370 nan 0.000 0.433 105 Y N -0.652 119.675 120.300 0.045 0.000 2.587 105 Y HA 0.765 5.315 4.550 -0.001 0.000 0.337 105 Y C -0.777 175.211 175.900 0.146 0.000 1.065 105 Y CA -0.990 57.154 58.100 0.074 0.000 1.126 105 Y CB 1.749 40.240 38.460 0.053 0.000 1.279 105 Y HN 0.127 nan 8.280 nan 0.000 0.489 106 S N 2.744 118.624 115.700 0.301 0.000 2.653 106 S HA 0.516 4.986 4.470 -0.001 0.000 0.268 106 S C -1.706 173.187 174.600 0.487 0.000 1.153 106 S CA -0.737 57.645 58.200 0.304 0.000 1.036 106 S CB 0.124 63.496 63.200 0.286 0.000 1.103 106 S HN 0.609 nan 8.310 nan 0.000 0.466 107 I N 4.606 125.373 120.570 0.327 0.000 2.395 107 I HA 0.300 4.470 4.170 -0.001 0.000 0.289 107 I C 1.131 177.056 176.117 -0.319 0.000 1.023 107 I CA -0.397 60.973 61.300 0.117 0.000 1.350 107 I CB 0.916 39.018 38.000 0.170 0.000 1.409 107 I HN 0.780 nan 8.210 nan 0.000 0.507 108 S N 6.567 121.739 115.700 -0.880 0.000 2.560 108 S HA 0.137 4.606 4.470 -0.001 0.000 0.284 108 S C -1.697 172.654 174.600 -0.415 0.000 1.327 108 S CA -0.800 56.668 58.200 -1.220 0.000 1.055 108 S CB 0.391 62.811 63.200 -1.301 0.000 0.868 108 S HN 0.441 nan 8.310 nan 0.000 0.506 109 P HA -0.227 nan 4.420 nan 0.000 0.217 109 P C 1.087 178.353 177.300 -0.057 0.000 1.158 109 P CA 1.877 64.926 63.100 -0.086 0.000 0.887 109 P CB -0.136 31.528 31.700 -0.061 0.000 0.792 110 D N -2.081 118.281 120.400 -0.063 0.000 2.347 110 D HA 0.011 4.651 4.640 -0.001 0.000 0.215 110 D C 1.372 177.658 176.300 -0.023 0.000 0.976 110 D CA 1.062 55.053 54.000 -0.015 0.000 0.884 110 D CB -1.120 39.698 40.800 0.030 0.000 0.915 110 D HN 0.287 nan 8.370 nan 0.000 0.526 111 G N 0.474 109.239 108.800 -0.058 0.000 2.143 111 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.248 111 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.248 111 G C 0.826 175.681 174.900 -0.075 0.000 0.991 111 G CA 0.481 45.575 45.100 -0.009 0.000 0.689 111 G HN 0.469 nan 8.290 nan 0.000 0.522 112 Q N -1.620 118.054 119.800 -0.209 0.000 2.398 112 Q HA 0.380 4.720 4.340 -0.001 0.000 0.204 112 Q C 0.124 175.588 176.000 -0.893 0.000 0.932 112 Q CA 0.682 56.162 55.803 -0.537 0.000 0.916 112 Q CB 0.490 28.839 28.738 -0.648 0.000 1.024 112 Q HN 0.582 nan 8.270 nan 0.000 0.504 113 F N -0.394 119.479 119.950 -0.127 0.000 2.613 113 F HA 0.482 5.009 4.527 -0.001 0.000 0.310 113 F C -0.664 175.132 175.800 -0.006 0.000 1.085 113 F CA -1.179 56.791 58.000 -0.049 0.000 0.945 113 F CB 1.715 40.706 39.000 -0.015 0.000 1.298 113 F HN -0.210 nan 8.300 nan 0.000 0.455 114 I N 3.109 123.924 120.570 0.409 0.000 2.509 114 I HA 0.578 4.748 4.170 -0.001 0.000 0.293 114 I C -1.794 174.626 176.117 0.504 0.000 1.020 114 I CA -1.095 60.453 61.300 0.414 0.000 1.088 114 I CB 1.631 39.838 38.000 0.345 0.000 1.267 114 I HN 0.578 nan 8.210 nan 0.000 0.430 115 L N 8.214 129.781 121.223 0.573 0.000 2.275 115 L HA 0.529 4.869 4.340 -0.001 0.000 0.288 115 L C -1.336 175.699 176.870 0.275 0.000 1.046 115 L CA -0.098 54.991 54.840 0.415 0.000 0.805 115 L CB 1.151 43.410 42.059 0.332 0.000 1.193 115 L HN 0.515 nan 8.230 nan 0.000 0.426 116 L N 4.882 126.222 121.223 0.195 0.000 2.322 116 L HA 0.554 4.894 4.340 -0.001 0.000 0.281 116 L C -0.274 176.744 176.870 0.247 0.000 1.014 116 L CA -0.507 54.386 54.840 0.088 0.000 0.815 116 L CB 1.748 43.666 42.059 -0.235 0.000 1.247 116 L HN 0.624 nan 8.230 nan 0.000 0.421 117 E N 3.515 123.824 120.200 0.181 0.000 2.176 117 E HA 0.473 4.822 4.350 -0.001 0.000 0.267 117 E C -1.786 174.869 176.600 0.092 0.000 0.893 117 E CA -0.524 55.890 56.400 0.024 0.000 0.761 117 E CB 1.518 31.277 29.700 0.098 0.000 1.133 117 E HN 0.458 nan 8.360 nan 0.000 0.409 118 Y N 1.602 121.776 120.300 -0.209 0.000 2.689 118 Y HA 0.461 5.010 4.550 -0.001 0.000 0.333 118 Y C -0.333 175.479 175.900 -0.147 0.000 1.190 118 Y CA -1.553 56.486 58.100 -0.101 0.000 1.063 118 Y CB 0.535 38.990 38.460 -0.007 0.000 1.294 118 Y HN 0.518 nan 8.280 nan 0.000 0.466 119 N N -0.394 118.297 118.700 -0.016 0.000 2.740 119 N HA -0.293 4.447 4.740 -0.001 0.000 0.248 119 N C -1.131 174.335 175.510 -0.073 0.000 1.062 119 N CA 0.964 53.958 53.050 -0.092 0.000 0.704 119 N CB -1.801 36.528 38.487 -0.263 0.000 0.968 119 N HN 0.878 nan 8.380 nan 0.000 0.547 120 Y N 0.172 120.394 120.300 -0.130 0.000 2.569 120 Y HA 0.314 4.864 4.550 -0.001 0.000 0.332 120 Y C -0.059 175.793 175.900 -0.080 0.000 1.120 120 Y CA -0.141 57.880 58.100 -0.131 0.000 1.416 120 Y CB 0.687 39.028 38.460 -0.199 0.000 1.210 120 Y HN 0.006 nan 8.280 nan 0.000 0.528 121 V N 8.281 127.877 119.914 -0.530 0.000 2.380 121 V HA 0.195 4.315 4.120 -0.001 0.000 0.286 121 V C -0.256 175.468 176.094 -0.617 0.000 1.015 121 V CA -1.325 60.699 62.300 -0.460 0.000 0.834 121 V CB 1.198 32.886 31.823 -0.224 0.000 1.009 121 V HN 0.738 nan 8.190 nan 0.000 0.428 122 K N 4.066 124.063 120.400 -0.672 0.000 2.401 122 K HA 0.223 4.543 4.320 -0.001 0.000 0.278 122 K C 0.404 176.830 176.600 -0.291 0.000 1.018 122 K CA 0.144 56.170 56.287 -0.435 0.000 0.981 122 K CB 1.135 33.542 32.500 -0.156 0.000 0.933 122 K HN 0.808 nan 8.250 nan 0.000 0.477 123 Q N 3.334 122.950 119.800 -0.307 0.000 2.968 123 Q HA 0.153 4.493 4.340 -0.001 0.000 0.245 123 Q C 0.061 175.840 176.000 -0.369 0.000 1.136 123 Q CA -0.299 55.146 55.803 -0.597 0.000 0.410 123 Q CB 0.029 28.243 28.738 -0.874 0.000 5.262 123 Q HN 0.725 nan 8.270 nan 0.000 0.356 124 W N 0.273 121.578 121.300 0.009 0.000 1.763 124 W HA 0.313 4.973 4.660 -0.001 0.000 0.619 124 W C 1.897 178.413 176.519 -0.005 0.000 1.755 124 W CA -0.676 56.705 57.345 0.059 0.000 1.933 124 W CB -0.167 29.316 29.460 0.040 0.000 3.002 124 W HN 0.307 nan 8.180 nan 0.000 0.782 125 R N -0.650 119.960 120.500 0.182 0.000 2.115 125 R HA -0.124 4.216 4.340 -0.001 0.000 0.230 125 R C 1.661 177.769 176.300 -0.321 0.000 1.111 125 R CA 1.620 57.641 56.100 -0.131 0.000 0.976 125 R CB -0.308 29.802 30.300 -0.317 0.000 0.870 125 R HN 0.519 nan 8.270 nan 0.000 0.445 126 H N -1.353 117.805 119.070 0.147 0.000 2.735 126 H HA 0.135 4.691 4.556 -0.000 0.000 0.250 126 H C 0.609 176.040 175.328 0.171 0.000 0.948 126 H CA 0.460 56.617 56.048 0.182 0.000 1.137 126 H CB 0.117 29.961 29.762 0.135 0.000 1.440 126 H HN 0.117 nan 8.280 nan 0.000 0.444 127 S N 1.545 117.247 115.700 0.005 0.000 2.568 127 S HA 0.289 4.758 4.470 -0.001 0.000 0.282 127 S C -0.204 174.239 174.600 -0.262 0.000 1.338 127 S CA -0.327 57.512 58.200 -0.601 0.000 1.045 127 S CB 0.306 62.764 63.200 -1.237 0.000 0.873 127 S HN 0.467 nan 8.310 nan 0.000 0.516 128 Y N -2.131 117.999 120.300 -0.284 0.000 2.818 128 Y HA 0.717 5.267 4.550 -0.001 0.000 0.341 128 Y C -0.796 175.086 175.900 -0.029 0.000 1.283 128 Y CA -1.251 56.720 58.100 -0.214 0.000 1.075 128 Y CB 0.679 38.994 38.460 -0.243 0.000 1.370 128 Y HN 0.590 nan 8.280 nan 0.000 0.448 129 T N 1.102 115.746 114.554 0.151 0.000 2.908 129 T HA 0.928 5.278 4.350 -0.001 0.000 0.290 129 T C -1.070 173.725 174.700 0.159 0.000 1.034 129 T CA 0.070 62.246 62.100 0.127 0.000 1.010 129 T CB 1.397 70.267 68.868 0.004 0.000 1.068 129 T HN 1.233 nan 8.240 nan 0.000 0.481 130 A N 1.425 124.284 122.820 0.066 0.000 2.601 130 A HA 0.744 5.063 4.320 -0.001 0.000 0.291 130 A C -0.744 176.545 177.584 -0.492 0.000 1.075 130 A CA -0.725 51.182 52.037 -0.217 0.000 0.671 130 A CB 1.197 20.054 19.000 -0.239 0.000 1.277 130 A HN 0.646 nan 8.150 nan 0.000 0.417 131 S N -0.601 114.601 115.700 -0.830 0.000 2.654 131 S HA 0.806 5.276 4.470 -0.001 0.000 0.283 131 S C -1.278 172.594 174.600 -1.214 0.000 1.180 131 S CA 0.005 57.611 58.200 -0.991 0.000 1.021 131 S CB 0.514 62.865 63.200 -1.415 0.000 1.018 131 S HN 0.460 nan 8.310 nan 0.000 0.532 132 Y N -0.141 119.944 120.300 -0.359 0.000 2.562 132 Y HA 0.495 5.045 4.550 -0.001 0.000 0.345 132 Y C -0.355 175.606 175.900 0.102 0.000 1.045 132 Y CA -0.930 57.118 58.100 -0.086 0.000 1.028 132 Y CB 1.935 40.279 38.460 -0.193 0.000 1.297 132 Y HN 0.492 nan 8.280 nan 0.000 0.463 133 D N 1.789 122.399 120.400 0.350 0.000 2.756 133 D HA 0.504 5.143 4.640 -0.001 0.000 0.226 133 D C -1.227 175.188 176.300 0.191 0.000 1.186 133 D CA -0.367 53.788 54.000 0.257 0.000 0.845 133 D CB 2.806 43.811 40.800 0.342 0.000 1.610 133 D HN 0.403 nan 8.370 nan 0.000 0.465 134 I N 2.120 122.785 120.570 0.157 0.000 2.355 134 I HA 0.228 4.398 4.170 -0.001 0.000 0.288 134 I C -0.814 175.458 176.117 0.259 0.000 0.999 134 I CA -0.862 60.559 61.300 0.202 0.000 1.163 134 I CB 1.196 39.258 38.000 0.103 0.000 1.316 134 I HN 0.214 nan 8.210 nan 0.000 0.454 135 Y N 5.508 125.930 120.300 0.203 0.000 2.326 135 Y HA 0.284 4.834 4.550 -0.001 0.000 0.337 135 Y C 0.013 176.071 175.900 0.263 0.000 1.023 135 Y CA -0.462 57.760 58.100 0.203 0.000 1.143 135 Y CB 0.990 39.572 38.460 0.203 0.000 1.183 135 Y HN 0.499 nan 8.280 nan 0.000 0.485 136 D N 5.061 125.403 120.400 -0.096 0.000 2.317 136 D HA 0.125 4.764 4.640 -0.001 0.000 0.252 136 D C 0.354 176.543 176.300 -0.185 0.000 1.174 136 D CA 0.262 54.242 54.000 -0.032 0.000 0.866 136 D CB 1.100 41.881 40.800 -0.031 0.000 1.127 136 D HN 0.768 nan 8.370 nan 0.000 0.467 137 L N 3.503 124.637 121.223 -0.148 0.000 2.209 137 L HA 0.004 4.344 4.340 -0.001 0.000 0.207 137 L C 2.083 178.845 176.870 -0.181 0.000 1.094 137 L CA 0.221 54.986 54.840 -0.124 0.000 0.790 137 L CB -0.253 41.713 42.059 -0.156 0.000 0.932 137 L HN 0.441 nan 8.230 nan 0.000 0.447 138 N N 1.110 119.659 118.700 -0.252 0.000 2.104 138 N HA -0.131 4.608 4.740 -0.001 0.000 0.190 138 N C 0.153 175.574 175.510 -0.149 0.000 1.024 138 N CA 1.315 54.243 53.050 -0.203 0.000 0.853 138 N CB 0.002 38.345 38.487 -0.240 0.000 1.008 138 N HN 0.355 nan 8.380 nan 0.000 0.424 139 K N 0.905 121.210 120.400 -0.159 0.000 2.675 139 K HA 0.289 4.609 4.320 -0.001 0.000 0.224 139 K C -0.738 175.749 176.600 -0.188 0.000 1.003 139 K CA -0.381 55.826 56.287 -0.134 0.000 1.034 139 K CB 1.862 34.299 32.500 -0.104 0.000 1.218 139 K HN -0.109 nan 8.250 nan 0.000 0.507 140 R N 4.062 124.466 120.500 -0.160 0.000 2.816 140 R HA -0.091 4.249 4.340 -0.001 0.000 0.344 140 R C -0.277 175.829 176.300 -0.324 0.000 1.065 140 R CA 0.838 56.822 56.100 -0.194 0.000 0.995 140 R CB -0.354 29.963 30.300 0.029 0.000 0.984 140 R HN 0.766 nan 8.270 nan 0.000 0.435 141 Q N 1.308 120.643 119.800 -0.775 0.000 2.791 141 Q HA 0.231 4.571 4.340 -0.001 0.000 0.280 141 Q C -1.383 174.267 176.000 -0.583 0.000 0.928 141 Q CA -0.932 54.550 55.803 -0.534 0.000 0.819 141 Q CB 0.627 29.254 28.738 -0.185 0.000 1.552 141 Q HN 0.212 nan 8.270 nan 0.000 0.410 142 L N 0.980 122.100 121.223 -0.171 0.000 2.466 142 L HA 0.386 4.726 4.340 -0.001 0.000 0.257 142 L C 0.001 176.875 176.870 0.007 0.000 1.189 142 L CA -0.736 54.118 54.840 0.022 0.000 0.813 142 L CB 0.254 42.439 42.059 0.210 0.000 1.118 142 L HN 0.556 nan 8.230 nan 0.000 0.471 143 I N -0.063 120.533 120.570 0.043 0.000 2.440 143 I HA 0.112 4.282 4.170 -0.001 0.000 0.294 143 I C 1.073 177.206 176.117 0.026 0.000 0.995 143 I CA 0.525 61.836 61.300 0.017 0.000 1.306 143 I CB 1.699 39.695 38.000 -0.007 0.000 1.407 143 I HN 0.772 nan 8.210 nan 0.000 0.501 144 T N 0.349 114.908 114.554 0.008 0.000 2.964 144 T HA 0.183 4.532 4.350 -0.001 0.000 0.249 144 T C 0.349 175.040 174.700 -0.016 0.000 1.000 144 T CA -0.288 61.817 62.100 0.008 0.000 0.992 144 T CB -0.004 68.871 68.868 0.013 0.000 1.087 144 T HN 0.525 nan 8.240 nan 0.000 0.489 145 E N 2.368 122.552 120.200 -0.027 0.000 2.197 145 E HA 0.239 4.589 4.350 -0.001 0.000 0.281 145 E C -0.691 175.871 176.600 -0.063 0.000 0.995 145 E CA -0.453 55.923 56.400 -0.041 0.000 0.808 145 E CB 0.789 30.469 29.700 -0.033 0.000 1.093 145 E HN 0.185 nan 8.360 nan 0.000 0.394 146 E N 1.338 121.491 120.200 -0.079 0.000 2.320 146 E HA -0.206 4.143 4.350 -0.001 0.000 0.234 146 E C -0.517 175.997 176.600 -0.144 0.000 1.183 146 E CA 0.582 56.917 56.400 -0.109 0.000 0.713 146 E CB -1.462 28.179 29.700 -0.098 0.000 1.226 146 E HN 0.627 nan 8.360 nan 0.000 0.382 147 R N -0.243 120.168 120.500 -0.148 0.000 2.827 147 R HA 0.331 4.671 4.340 -0.001 0.000 0.269 147 R C 1.130 177.244 176.300 -0.310 0.000 1.048 147 R CA -0.287 55.706 56.100 -0.178 0.000 1.173 147 R CB 0.408 30.638 30.300 -0.116 0.000 1.070 147 R HN 0.109 nan 8.270 nan 0.000 0.498 148 I N 4.008 124.352 120.570 -0.377 0.000 2.517 148 I HA 0.071 4.241 4.170 -0.001 0.000 0.285 148 I C -1.545 174.257 176.117 -0.525 0.000 1.106 148 I CA -1.714 59.199 61.300 -0.645 0.000 1.402 148 I CB 0.460 38.065 38.000 -0.657 0.000 1.399 148 I HN 0.341 nan 8.210 nan 0.000 0.535 149 P HA 0.004 nan 4.420 nan 0.000 0.269 149 P C -0.768 176.291 177.300 -0.402 0.000 1.217 149 P CA -0.232 62.453 63.100 -0.692 0.000 0.783 149 P CB 0.394 31.212 31.700 -1.470 0.000 0.898 150 N N 1.285 119.842 118.700 -0.239 0.000 2.453 150 N HA -0.001 4.738 4.740 -0.001 0.000 0.253 150 N C 0.253 175.821 175.510 0.096 0.000 1.252 150 N CA 0.252 53.238 53.050 -0.108 0.000 0.917 150 N CB -0.750 37.693 38.487 -0.074 0.000 1.117 150 N HN 0.412 nan 8.380 nan 0.000 0.442 151 N N -1.359 117.382 118.700 0.068 0.000 2.816 151 N HA -0.154 4.586 4.740 -0.001 0.000 0.247 151 N C -1.193 174.508 175.510 0.318 0.000 1.100 151 N CA 0.572 53.722 53.050 0.166 0.000 0.687 151 N CB -1.175 37.418 38.487 0.176 0.000 1.003 151 N HN 0.440 nan 8.380 nan 0.000 0.554 152 T N 0.129 114.853 114.554 0.284 0.000 2.856 152 T HA 0.165 4.514 4.350 -0.001 0.000 0.292 152 T C 1.385 176.277 174.700 0.320 0.000 0.980 152 T CA -0.148 62.168 62.100 0.360 0.000 1.091 152 T CB 1.456 70.490 68.868 0.277 0.000 0.936 152 T HN 0.173 nan 8.240 nan 0.000 0.503 153 Q N 1.565 121.546 119.800 0.301 0.000 2.339 153 Q HA 0.178 4.518 4.340 -0.001 0.000 0.205 153 Q C 0.006 176.211 176.000 0.341 0.000 0.925 153 Q CA 0.338 56.336 55.803 0.326 0.000 0.898 153 Q CB 0.880 29.776 28.738 0.264 0.000 1.013 153 Q HN 0.674 nan 8.270 nan 0.000 0.504 154 W N 0.496 121.788 121.300 -0.013 0.000 3.571 154 W HA 0.434 5.094 4.660 -0.001 0.000 0.294 154 W C -2.013 174.438 176.519 -0.114 0.000 1.257 154 W CA -0.850 56.434 57.345 -0.101 0.000 1.206 154 W CB 1.311 30.641 29.460 -0.217 0.000 1.325 154 W HN -0.245 nan 8.180 nan 0.000 0.546 155 V N 1.414 120.637 119.914 -1.152 0.000 3.007 155 V HA 0.938 5.058 4.120 -0.001 0.000 0.311 155 V C -1.005 174.444 176.094 -1.075 0.000 1.120 155 V CA -0.698 61.030 62.300 -0.953 0.000 0.980 155 V CB 1.469 32.662 31.823 -1.050 0.000 1.033 155 V HN 0.577 nan 8.190 nan 0.000 0.429 156 T N 2.405 116.628 114.554 -0.552 0.000 3.291 156 T HA 0.459 4.809 4.350 -0.001 0.000 0.344 156 T C -1.565 173.098 174.700 -0.062 0.000 1.293 156 T CA -0.334 61.631 62.100 -0.225 0.000 1.108 156 T CB 0.754 69.734 68.868 0.185 0.000 1.231 156 T HN 0.782 nan 8.240 nan 0.000 0.474 157 W N 3.631 124.953 121.300 0.035 0.000 2.150 157 W HA 0.446 5.106 4.660 -0.001 0.000 0.341 157 W C 1.349 177.673 176.519 -0.326 0.000 1.276 157 W CA -0.482 56.823 57.345 -0.067 0.000 1.238 157 W CB 0.539 29.971 29.460 -0.048 0.000 1.128 157 W HN 0.788 nan 8.180 nan 0.000 0.581 158 S N 1.691 117.028 115.700 -0.605 0.000 2.580 158 S HA 0.101 4.571 4.470 -0.001 0.000 0.266 158 S C -1.787 172.518 174.600 -0.492 0.000 1.354 158 S CA -0.878 56.444 58.200 -1.463 0.000 1.008 158 S CB 0.661 62.910 63.200 -1.585 0.000 0.898 158 S HN 0.314 nan 8.310 nan 0.000 0.555 159 P HA 0.159 nan 4.420 nan 0.000 0.229 159 P C -0.426 176.822 177.300 -0.085 0.000 1.160 159 P CA 0.431 63.478 63.100 -0.087 0.000 0.777 159 P CB 0.073 31.770 31.700 -0.004 0.000 0.814 160 V N -1.454 118.365 119.914 -0.158 0.000 2.789 160 V HA 0.677 4.796 4.120 -0.001 0.000 0.311 160 V C 0.797 176.788 176.094 -0.171 0.000 1.073 160 V CA -0.025 62.202 62.300 -0.122 0.000 0.921 160 V CB 0.972 32.738 31.823 -0.095 0.000 1.009 160 V HN 0.395 nan 8.190 nan 0.000 0.426 161 G N 3.204 111.921 108.800 -0.138 0.000 2.527 161 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.268 161 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.268 161 G C 0.209 175.029 174.900 -0.134 0.000 1.175 161 G CA 0.560 45.540 45.100 -0.200 0.000 0.962 161 G HN 1.639 nan 8.290 nan 0.000 0.560 162 H N -0.151 118.942 119.070 0.039 0.000 2.777 162 H HA 0.414 4.969 4.556 -0.001 0.000 0.244 162 H C 0.446 175.959 175.328 0.308 0.000 1.185 162 H CA -0.077 56.063 56.048 0.153 0.000 0.945 162 H CB 0.025 29.947 29.762 0.267 0.000 1.994 162 H HN 0.494 nan 8.280 nan 0.000 0.638 163 K N 1.451 121.908 120.400 0.094 0.000 2.355 163 K HA 0.266 4.585 4.320 -0.001 0.000 0.270 163 K C -0.799 175.899 176.600 0.164 0.000 1.003 163 K CA -0.364 55.968 56.287 0.074 0.000 0.957 163 K CB 1.177 33.570 32.500 -0.178 0.000 0.939 163 K HN 0.019 nan 8.250 nan 0.000 0.482 164 L N 1.574 122.918 121.223 0.203 0.000 2.438 164 L HA 0.483 4.823 4.340 -0.001 0.000 0.270 164 L C -1.471 175.568 176.870 0.281 0.000 0.972 164 L CA -0.206 54.696 54.840 0.103 0.000 0.831 164 L CB 1.826 43.787 42.059 -0.163 0.000 1.273 164 L HN 0.751 nan 8.230 nan 0.000 0.405 165 A N 4.310 127.322 122.820 0.321 0.000 2.343 165 A HA 0.797 5.116 4.320 -0.001 0.000 0.316 165 A C -1.616 176.001 177.584 0.055 0.000 1.104 165 A CA -0.391 51.736 52.037 0.150 0.000 0.768 165 A CB 0.862 19.869 19.000 0.011 0.000 1.213 165 A HN 0.747 nan 8.150 nan 0.000 0.456 166 Y N -0.343 119.910 120.300 -0.079 0.000 2.609 166 Y HA 0.795 5.344 4.550 -0.001 0.000 0.342 166 Y C -1.168 174.742 175.900 0.017 0.000 1.058 166 Y CA -1.636 56.394 58.100 -0.116 0.000 1.055 166 Y CB 1.295 39.616 38.460 -0.231 0.000 1.292 166 Y HN 0.365 nan 8.280 nan 0.000 0.476 167 V N 1.966 122.014 119.914 0.223 0.000 2.444 167 V HA 0.294 4.414 4.120 -0.001 0.000 0.294 167 V C -1.514 174.799 176.094 0.364 0.000 1.022 167 V CA -0.590 61.819 62.300 0.181 0.000 0.850 167 V CB 1.165 33.021 31.823 0.055 0.000 0.992 167 V HN 0.848 nan 8.190 nan 0.000 0.426 168 W N 4.662 126.054 121.300 0.152 0.000 2.839 168 W HA 0.473 5.132 4.660 -0.001 0.000 0.334 168 W C 0.552 177.124 176.519 0.087 0.000 1.064 168 W CA -0.969 56.447 57.345 0.118 0.000 1.236 168 W CB 1.218 30.716 29.460 0.063 0.000 1.405 168 W HN 0.792 nan 8.180 nan 0.000 0.478 169 N N 5.527 123.965 118.700 -0.437 0.000 2.716 169 N HA -0.366 4.374 4.740 -0.001 0.000 0.250 169 N C 0.104 175.475 175.510 -0.232 0.000 1.033 169 N CA 1.051 53.824 53.050 -0.463 0.000 0.727 169 N CB -1.032 36.992 38.487 -0.773 0.000 0.950 169 N HN 0.833 nan 8.380 nan 0.000 0.541 170 N N -2.093 116.527 118.700 -0.133 0.000 2.828 170 N HA -0.167 4.573 4.740 -0.001 0.000 0.248 170 N C -1.195 174.235 175.510 -0.134 0.000 1.044 170 N CA 1.022 53.996 53.050 -0.126 0.000 0.851 170 N CB -0.371 37.990 38.487 -0.210 0.000 1.136 170 N HN 0.425 nan 8.380 nan 0.000 0.572 171 D N 0.457 120.789 120.400 -0.114 0.000 2.340 171 D HA 0.535 5.174 4.640 -0.001 0.000 0.240 171 D C 0.066 176.219 176.300 -0.246 0.000 1.001 171 D CA -0.331 53.531 54.000 -0.231 0.000 0.888 171 D CB 1.548 42.161 40.800 -0.313 0.000 1.310 171 D HN 0.029 nan 8.370 nan 0.000 0.474 172 I N 1.795 122.053 120.570 -0.519 0.000 2.359 172 I HA 0.288 4.458 4.170 -0.001 0.000 0.294 172 I C -0.666 174.995 176.117 -0.761 0.000 0.987 172 I CA -0.559 60.418 61.300 -0.538 0.000 1.225 172 I CB 0.698 38.295 38.000 -0.671 0.000 1.366 172 I HN 0.181 nan 8.210 nan 0.000 0.466 173 Y N 4.205 124.117 120.300 -0.647 0.000 2.536 173 Y HA 0.671 5.220 4.550 -0.001 0.000 0.347 173 Y C -0.358 175.236 175.900 -0.510 0.000 1.000 173 Y CA -1.036 56.663 58.100 -0.670 0.000 1.051 173 Y CB 2.213 40.019 38.460 -1.090 0.000 1.259 173 Y HN 0.106 nan 8.280 nan 0.000 0.468 174 V N 2.391 122.275 119.914 -0.049 0.000 2.638 174 V HA 0.384 4.504 4.120 -0.001 0.000 0.306 174 V C -0.890 175.342 176.094 0.231 0.000 1.052 174 V CA -1.375 60.992 62.300 0.111 0.000 0.885 174 V CB 1.931 33.841 31.823 0.145 0.000 0.999 174 V HN 0.628 nan 8.190 nan 0.000 0.424 175 K N 4.683 125.218 120.400 0.225 0.000 2.339 175 K HA 0.495 4.815 4.320 -0.001 0.000 0.264 175 K C 0.425 177.156 176.600 0.218 0.000 0.986 175 K CA -0.699 55.700 56.287 0.185 0.000 0.866 175 K CB 1.826 34.392 32.500 0.110 0.000 1.103 175 K HN 0.452 nan 8.250 nan 0.000 0.441 176 I N 1.027 121.747 120.570 0.250 0.000 2.233 176 I HA -0.094 4.076 4.170 -0.001 0.000 0.243 176 I C 0.561 176.807 176.117 0.215 0.000 1.093 176 I CA 1.454 62.889 61.300 0.226 0.000 1.380 176 I CB -0.274 37.869 38.000 0.238 0.000 1.067 176 I HN 0.523 nan 8.210 nan 0.000 0.413 177 E N 0.432 120.729 120.200 0.162 0.000 2.212 177 E HA 0.278 4.628 4.350 -0.001 0.000 0.268 177 E C -1.859 174.725 176.600 -0.027 0.000 0.902 177 E CA -2.099 54.365 56.400 0.106 0.000 0.779 177 E CB 1.655 31.407 29.700 0.087 0.000 1.172 177 E HN -0.097 nan 8.360 nan 0.000 0.409 178 P HA -0.141 nan 4.420 nan 0.000 0.219 178 P C 0.763 177.954 177.300 -0.182 0.000 1.146 178 P CA 1.314 64.255 63.100 -0.266 0.000 0.808 178 P CB 0.198 31.511 31.700 -0.644 0.000 0.779 179 N N -1.588 117.026 118.700 -0.143 0.000 2.299 179 N HA 0.042 4.782 4.740 -0.001 0.000 0.187 179 N C 0.346 175.818 175.510 -0.063 0.000 1.099 179 N CA -0.072 52.927 53.050 -0.086 0.000 0.867 179 N CB -0.118 38.337 38.487 -0.054 0.000 0.974 179 N HN 0.127 nan 8.380 nan 0.000 0.477 180 L N 1.475 122.665 121.223 -0.056 0.000 2.399 180 L HA 0.447 4.787 4.340 -0.001 0.000 0.265 180 L C -2.034 174.779 176.870 -0.094 0.000 1.089 180 L CA -2.286 52.520 54.840 -0.058 0.000 0.802 180 L CB 0.534 42.574 42.059 -0.031 0.000 1.180 180 L HN -0.097 nan 8.230 nan 0.000 0.454 181 P HA 0.024 nan 4.420 nan 0.000 0.268 181 P C -0.931 176.218 177.300 -0.251 0.000 1.208 181 P CA -0.230 62.773 63.100 -0.161 0.000 0.777 181 P CB 0.542 32.145 31.700 -0.161 0.000 0.875 182 S N 1.163 116.766 115.700 -0.163 0.000 2.616 182 S HA 0.455 4.924 4.470 -0.001 0.000 0.277 182 S C -0.534 173.964 174.600 -0.170 0.000 1.234 182 S CA -0.552 57.577 58.200 -0.117 0.000 1.028 182 S CB 0.180 63.444 63.200 0.107 0.000 0.988 182 S HN 0.293 nan 8.310 nan 0.000 0.522 183 Y N 0.338 120.673 120.300 0.057 0.000 2.326 183 Y HA 0.437 4.986 4.550 -0.001 0.000 0.337 183 Y C 0.814 176.641 175.900 -0.121 0.000 1.023 183 Y CA -0.872 57.236 58.100 0.014 0.000 1.143 183 Y CB 0.755 39.224 38.460 0.015 0.000 1.183 183 Y HN 0.554 nan 8.280 nan 0.000 0.485 184 R N 3.948 124.392 120.500 -0.093 0.000 2.288 184 R HA 0.161 4.501 4.340 -0.001 0.000 0.330 184 R C 0.375 176.388 176.300 -0.479 0.000 1.069 184 R CA -0.077 55.632 56.100 -0.651 0.000 0.941 184 R CB 0.212 29.907 30.300 -1.008 0.000 0.998 184 R HN 0.779 nan 8.270 nan 0.000 0.452 185 I N 2.121 122.352 120.570 -0.565 0.000 2.235 185 I HA -0.074 4.095 4.170 -0.001 0.000 0.241 185 I C 1.241 177.153 176.117 -0.341 0.000 1.085 185 I CA 1.152 62.237 61.300 -0.359 0.000 1.378 185 I CB -1.059 36.678 38.000 -0.437 0.000 1.076 185 I HN 0.558 nan 8.210 nan 0.000 0.415 186 T N -3.487 110.727 114.554 -0.567 0.000 2.888 186 T HA 0.390 4.739 4.350 -0.001 0.000 0.284 186 T C -0.459 173.935 174.700 -0.510 0.000 1.017 186 T CA -0.523 61.341 62.100 -0.393 0.000 1.022 186 T CB 1.937 70.559 68.868 -0.411 0.000 1.013 186 T HN 0.239 nan 8.240 nan 0.000 0.465 187 W N 0.369 121.551 121.300 -0.197 0.000 2.534 187 W HA 0.225 4.885 4.660 -0.001 0.000 0.339 187 W C 1.895 178.351 176.519 -0.106 0.000 0.961 187 W CA -0.151 57.112 57.345 -0.137 0.000 1.545 187 W CB 0.455 29.855 29.460 -0.101 0.000 1.104 187 W HN 0.928 nan 8.180 nan 0.000 0.538 188 T N -3.094 111.492 114.554 0.053 0.000 3.040 188 T HA 0.295 4.645 4.350 -0.001 0.000 0.250 188 T C 1.203 175.888 174.700 -0.024 0.000 1.058 188 T CA 0.183 62.299 62.100 0.026 0.000 0.988 188 T CB -0.093 68.786 68.868 0.019 0.000 0.993 188 T HN -0.030 nan 8.240 nan 0.000 0.519 189 G N 1.272 110.026 108.800 -0.076 0.000 2.353 189 G HA2 0.388 4.348 3.960 -0.001 0.000 0.239 189 G HA3 0.388 4.348 3.960 -0.001 0.000 0.239 189 G C -0.684 174.145 174.900 -0.119 0.000 1.295 189 G CA -0.367 44.664 45.100 -0.115 0.000 0.884 189 G HN 0.563 nan 8.290 nan 0.000 0.537 190 K N 1.521 121.830 120.400 -0.153 0.000 2.550 190 K HA 0.183 4.503 4.320 -0.001 0.000 0.252 190 K C -0.296 176.181 176.600 -0.206 0.000 0.943 190 K CA -0.687 55.514 56.287 -0.143 0.000 0.806 190 K CB 1.875 34.325 32.500 -0.082 0.000 1.289 190 K HN 0.604 nan 8.250 nan 0.000 0.435 191 E N 2.672 122.766 120.200 -0.177 0.000 2.529 191 E HA -0.125 4.224 4.350 -0.001 0.000 0.259 191 E C -0.591 175.934 176.600 -0.124 0.000 0.966 191 E CA 0.938 57.237 56.400 -0.167 0.000 0.937 191 E CB 0.299 29.932 29.700 -0.112 0.000 0.923 191 E HN 0.642 nan 8.360 nan 0.000 0.468 192 D N 2.284 122.613 120.400 -0.118 0.000 3.059 192 D HA -0.243 4.396 4.640 -0.001 0.000 0.213 192 D C 0.506 176.852 176.300 0.077 0.000 1.144 192 D CA 1.548 55.585 54.000 0.062 0.000 0.975 192 D CB -0.819 40.038 40.800 0.094 0.000 1.125 192 D HN 0.507 nan 8.370 nan 0.000 0.412 193 I N -1.345 119.175 120.570 -0.084 0.000 3.685 193 I HA 0.074 4.243 4.170 -0.001 0.000 0.258 193 I C 0.398 176.549 176.117 0.057 0.000 1.135 193 I CA -0.129 61.192 61.300 0.036 0.000 1.436 193 I CB 0.580 38.591 38.000 0.018 0.000 1.670 193 I HN -0.184 nan 8.210 nan 0.000 0.424 194 I N 1.410 121.928 120.570 -0.087 0.000 2.378 194 I HA 0.274 4.443 4.170 -0.001 0.000 0.291 194 I C -1.382 174.654 176.117 -0.136 0.000 0.992 194 I CA -0.442 60.863 61.300 0.010 0.000 1.154 194 I CB 0.929 38.939 38.000 0.016 0.000 1.315 194 I HN 0.089 nan 8.210 nan 0.000 0.448 195 Y N 4.605 124.989 120.300 0.140 0.000 2.376 195 Y HA 0.361 4.911 4.550 -0.001 0.000 0.326 195 Y C 0.315 176.269 175.900 0.089 0.000 0.970 195 Y CA -0.664 57.524 58.100 0.147 0.000 1.248 195 Y CB 1.012 39.656 38.460 0.306 0.000 1.117 195 Y HN 0.416 nan 8.280 nan 0.000 0.476 196 N N 2.432 121.180 118.700 0.079 0.000 2.457 196 N HA 0.314 5.054 4.740 -0.001 0.000 0.250 196 N C 0.898 176.334 175.510 -0.123 0.000 0.982 196 N CA 0.607 53.634 53.050 -0.038 0.000 0.941 196 N CB 1.763 40.131 38.487 -0.198 0.000 1.120 196 N HN 1.007 nan 8.380 nan 0.000 0.505 197 G N 1.715 110.459 108.800 -0.094 0.000 2.205 197 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.261 197 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.261 197 G C 0.175 174.911 174.900 -0.274 0.000 0.980 197 G CA 0.637 45.607 45.100 -0.217 0.000 0.632 197 G HN 0.653 nan 8.290 nan 0.000 0.533 198 I N -1.269 119.209 120.570 -0.153 0.000 2.892 198 I HA 0.826 4.996 4.170 -0.001 0.000 0.306 198 I C 0.320 176.450 176.117 0.020 0.000 1.078 198 I CA -0.567 60.542 61.300 -0.319 0.000 1.032 198 I CB 2.106 39.699 38.000 -0.679 0.000 1.229 198 I HN 0.180 nan 8.210 nan 0.000 0.435 199 T N -0.129 114.344 114.554 -0.134 0.000 2.899 199 T HA 0.365 4.715 4.350 -0.001 0.000 0.284 199 T C -0.148 174.295 174.700 -0.427 0.000 1.004 199 T CA -0.662 61.207 62.100 -0.385 0.000 1.043 199 T CB 1.316 70.028 68.868 -0.260 0.000 1.013 199 T HN 0.766 nan 8.240 nan 0.000 0.518 200 D N 0.421 120.288 120.400 -0.889 0.000 2.447 200 D HA 0.032 4.672 4.640 -0.001 0.000 0.265 200 D C 0.988 177.196 176.300 -0.153 0.000 1.250 200 D CA -1.101 52.440 54.000 -0.766 0.000 1.046 200 D CB 0.052 40.362 40.800 -0.817 0.000 1.095 200 D HN 0.709 nan 8.370 nan 0.000 0.555 201 W N 0.103 121.344 121.300 -0.098 0.000 2.318 201 W HA -0.215 4.445 4.660 -0.000 0.000 0.313 201 W C 2.091 178.508 176.519 -0.169 0.000 1.221 201 W CA 2.230 59.512 57.345 -0.105 0.000 1.266 201 W CB -0.374 28.968 29.460 -0.197 0.000 1.150 201 W HN 0.189 nan 8.180 nan 0.000 0.496 202 V N -0.362 119.595 119.914 0.071 0.000 2.871 202 V HA -0.226 3.893 4.120 -0.001 0.000 0.256 202 V C 1.628 177.542 176.094 -0.300 0.000 1.082 202 V CA 1.639 63.872 62.300 -0.111 0.000 1.105 202 V CB -0.606 31.187 31.823 -0.050 0.000 0.713 202 V HN 0.271 nan 8.190 nan 0.000 0.473 203 Y N 0.470 120.590 120.300 -0.300 0.000 2.286 203 Y HA -0.082 4.468 4.550 -0.001 0.000 0.293 203 Y C 2.543 178.338 175.900 -0.175 0.000 1.124 203 Y CA 1.884 59.830 58.100 -0.258 0.000 1.178 203 Y CB 0.038 38.233 38.460 -0.442 0.000 1.010 203 Y HN 0.341 nan 8.280 nan 0.000 0.536 204 E N 0.397 120.545 120.200 -0.088 0.000 2.051 204 E HA -0.289 4.061 4.350 -0.001 0.000 0.192 204 E C 1.922 178.445 176.600 -0.128 0.000 0.991 204 E CA 1.625 57.992 56.400 -0.054 0.000 0.799 204 E CB 0.050 29.732 29.700 -0.030 0.000 0.748 204 E HN 0.403 nan 8.360 nan 0.000 0.449 205 E N 0.008 119.958 120.200 -0.418 0.000 2.086 205 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 205 E C 1.699 178.146 176.600 -0.255 0.000 0.975 205 E CA 1.318 57.458 56.400 -0.433 0.000 0.813 205 E CB 0.223 29.323 29.700 -0.999 0.000 0.768 205 E HN 0.203 nan 8.360 nan 0.000 0.457 206 E N -0.733 119.294 120.200 -0.289 0.000 2.330 206 E HA 0.083 4.433 4.350 -0.001 0.000 0.200 206 E C 1.996 178.445 176.600 -0.252 0.000 0.922 206 E CA 0.527 56.804 56.400 -0.205 0.000 0.935 206 E CB 0.537 30.116 29.700 -0.203 0.000 0.917 206 E HN 0.178 nan 8.360 nan 0.000 0.491 207 V N 0.051 119.755 119.914 -0.349 0.000 2.391 207 V HA -0.011 4.109 4.120 -0.001 0.000 0.237 207 V C 1.694 177.541 176.094 -0.410 0.000 1.046 207 V CA 1.193 63.208 62.300 -0.475 0.000 1.053 207 V CB -0.369 31.028 31.823 -0.710 0.000 0.704 207 V HN 0.041 nan 8.190 nan 0.000 0.475 208 F N 0.472 120.418 119.950 -0.006 0.000 2.714 208 F HA 0.239 4.766 4.527 -0.001 0.000 0.294 208 F C 1.573 177.323 175.800 -0.084 0.000 1.120 208 F CA 0.343 58.355 58.000 0.020 0.000 1.398 208 F CB -0.277 38.782 39.000 0.099 0.000 1.120 208 F HN 0.101 nan 8.300 nan 0.000 0.589 209 S N 0.291 115.982 115.700 -0.015 0.000 3.581 209 S HA -0.019 4.450 4.470 -0.001 0.000 0.354 209 S C 0.072 174.207 174.600 -0.775 0.000 1.059 209 S CA 0.364 58.404 58.200 -0.266 0.000 1.060 209 S CB -2.066 61.071 63.200 -0.105 0.000 0.908 209 S HN 0.662 nan 8.310 nan 0.000 0.475 210 A N -0.659 121.910 122.820 -0.418 0.000 2.605 210 A HA 0.702 5.022 4.320 -0.001 0.000 0.294 210 A C -0.375 177.148 177.584 -0.102 0.000 1.062 210 A CA -0.473 51.375 52.037 -0.315 0.000 0.682 210 A CB 0.431 19.301 19.000 -0.216 0.000 1.278 210 A HN 0.378 nan 8.150 nan 0.000 0.410 211 Y N 1.442 121.563 120.300 -0.299 0.000 2.448 211 Y HA 0.102 4.651 4.550 -0.000 0.000 0.289 211 Y C 1.469 177.066 175.900 -0.505 0.000 1.114 211 Y CA 0.938 58.870 58.100 -0.281 0.000 1.235 211 Y CB 0.305 38.657 38.460 -0.180 0.000 1.045 211 Y HN 0.785 nan 8.280 nan 0.000 0.554 212 S N 0.573 115.707 115.700 -0.944 0.000 2.584 212 S HA 0.565 5.035 4.470 -0.001 0.000 0.273 212 S C 0.005 174.043 174.600 -0.937 0.000 1.311 212 S CA -0.234 57.194 58.200 -1.286 0.000 1.034 212 S CB 1.709 63.654 63.200 -2.092 0.000 0.939 212 S HN 0.335 nan 8.310 nan 0.000 0.513 213 A N 3.190 125.478 122.820 -0.887 0.000 3.129 213 A HA 0.571 4.891 4.320 -0.001 0.000 0.282 213 A C -0.489 176.372 177.584 -1.206 0.000 0.948 213 A CA -0.596 50.819 52.037 -1.036 0.000 1.027 213 A CB -0.191 18.632 19.000 -0.294 0.000 1.123 213 A HN 0.790 nan 8.150 nan 0.000 0.485 214 L N 0.559 120.967 121.223 -1.357 0.000 2.385 214 L HA 0.578 4.918 4.340 -0.001 0.000 0.273 214 L C -1.145 175.212 176.870 -0.855 0.000 0.990 214 L CA -0.515 53.839 54.840 -0.811 0.000 0.821 214 L CB 1.846 43.644 42.059 -0.435 0.000 1.279 214 L HN 0.472 nan 8.230 nan 0.000 0.412 215 W N 2.754 124.081 121.300 0.044 0.000 2.521 215 W HA 0.241 4.900 4.660 -0.001 0.000 0.310 215 W C -1.005 175.719 176.519 0.340 0.000 1.000 215 W CA -1.143 56.362 57.345 0.266 0.000 1.353 215 W CB 1.253 30.944 29.460 0.386 0.000 1.276 215 W HN 0.494 nan 8.180 nan 0.000 0.417 216 W N 2.480 123.978 121.300 0.330 0.000 2.181 216 W HA 0.185 4.845 4.660 -0.001 0.000 0.335 216 W C 1.352 177.657 176.519 -0.356 0.000 1.310 216 W CA 0.350 57.740 57.345 0.075 0.000 1.226 216 W CB 0.697 30.185 29.460 0.047 0.000 1.155 216 W HN 0.178 nan 8.180 nan 0.000 0.565 217 S N 2.535 117.880 115.700 -0.592 0.000 2.600 217 S HA 0.161 4.631 4.470 -0.001 0.000 0.265 217 S C -1.751 172.606 174.600 -0.404 0.000 1.325 217 S CA -1.022 56.367 58.200 -1.352 0.000 1.002 217 S CB 0.872 63.253 63.200 -1.365 0.000 0.921 217 S HN 0.290 nan 8.310 nan 0.000 0.554 218 P HA -0.146 nan 4.420 nan 0.000 0.216 218 P C 0.858 178.135 177.300 -0.040 0.000 1.150 218 P CA 1.572 64.648 63.100 -0.040 0.000 0.843 218 P CB -0.219 31.503 31.700 0.037 0.000 0.787 219 N N -2.092 116.570 118.700 -0.063 0.000 2.236 219 N HA 0.129 4.869 4.740 -0.001 0.000 0.196 219 N C 1.115 176.562 175.510 -0.104 0.000 1.114 219 N CA 0.561 53.572 53.050 -0.066 0.000 0.859 219 N CB -0.718 37.744 38.487 -0.042 0.000 0.982 219 N HN 0.162 nan 8.380 nan 0.000 0.493 220 G N -0.897 107.851 108.800 -0.088 0.000 2.159 220 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.256 220 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.256 220 G C 0.930 175.872 174.900 0.071 0.000 0.977 220 G CA 0.733 45.810 45.100 -0.040 0.000 0.652 220 G HN 0.361 nan 8.290 nan 0.000 0.531 221 T N 0.065 114.581 114.554 -0.063 0.000 2.652 221 T HA 0.099 4.448 4.350 -0.001 0.000 0.267 221 T C 0.901 175.482 174.700 -0.199 0.000 1.039 221 T CA 1.400 63.367 62.100 -0.222 0.000 1.153 221 T CB -0.110 68.479 68.868 -0.464 0.000 0.863 221 T HN 0.286 nan 8.240 nan 0.000 0.428 222 F N 0.603 120.596 119.950 0.071 0.000 2.404 222 F HA 0.565 5.091 4.527 -0.001 0.000 0.339 222 F C -0.122 175.750 175.800 0.121 0.000 1.105 222 F CA -1.558 56.517 58.000 0.124 0.000 1.087 222 F CB 0.915 40.058 39.000 0.237 0.000 1.143 222 F HN -0.046 nan 8.300 nan 0.000 0.491 223 L N 3.527 124.896 121.223 0.243 0.000 2.298 223 L HA 0.755 5.094 4.340 -0.001 0.000 0.284 223 L C -0.430 176.536 176.870 0.160 0.000 1.013 223 L CA -0.384 54.423 54.840 -0.056 0.000 0.824 223 L CB 0.647 42.404 42.059 -0.503 0.000 1.221 223 L HN 0.670 nan 8.230 nan 0.000 0.418 224 A N 5.206 128.194 122.820 0.280 0.000 2.301 224 A HA 0.695 5.015 4.320 -0.001 0.000 0.312 224 A C -1.274 176.387 177.584 0.128 0.000 1.182 224 A CA -0.282 51.838 52.037 0.138 0.000 0.826 224 A CB 0.333 19.562 19.000 0.382 0.000 1.134 224 A HN 0.815 nan 8.150 nan 0.000 0.501 225 Y N -0.967 119.114 120.300 -0.365 0.000 2.625 225 Y HA 0.797 5.346 4.550 -0.001 0.000 0.338 225 Y C -0.297 175.403 175.900 -0.333 0.000 1.123 225 Y CA -0.991 56.966 58.100 -0.238 0.000 1.046 225 Y CB 1.056 39.358 38.460 -0.263 0.000 1.299 225 Y HN 0.871 nan 8.280 nan 0.000 0.464 226 A N 1.869 124.707 122.820 0.030 0.000 2.337 226 A HA 0.644 4.963 4.320 -0.001 0.000 0.331 226 A C -1.302 176.158 177.584 -0.206 0.000 1.137 226 A CA -0.885 51.062 52.037 -0.149 0.000 0.807 226 A CB 1.743 20.625 19.000 -0.196 0.000 1.250 226 A HN 0.819 nan 8.150 nan 0.000 0.468 227 Q N 1.482 121.137 119.800 -0.241 0.000 2.325 227 Q HA 0.589 4.929 4.340 -0.001 0.000 0.270 227 Q C -1.968 173.851 176.000 -0.301 0.000 1.020 227 Q CA -0.371 55.362 55.803 -0.117 0.000 0.785 227 Q CB 0.807 29.665 28.738 0.200 0.000 1.259 227 Q HN 0.575 nan 8.270 nan 0.000 0.452 228 F N 2.411 122.460 119.950 0.164 0.000 2.421 228 F HA 0.410 4.936 4.527 -0.000 0.000 0.337 228 F C 0.517 176.472 175.800 0.259 0.000 1.105 228 F CA -0.875 57.207 58.000 0.137 0.000 1.049 228 F CB 1.143 40.133 39.000 -0.015 0.000 1.139 228 F HN 0.469 nan 8.300 nan 0.000 0.479 229 N N 1.744 120.672 118.700 0.381 0.000 2.479 229 N HA 0.221 4.960 4.740 -0.001 0.000 0.261 229 N C -1.019 174.664 175.510 0.288 0.000 0.979 229 N CA -0.380 52.847 53.050 0.295 0.000 0.930 229 N CB 1.093 39.699 38.487 0.197 0.000 1.172 229 N HN 0.549 nan 8.380 nan 0.000 0.499 230 D N 1.292 121.879 120.400 0.311 0.000 2.463 230 D HA 0.136 4.776 4.640 -0.001 0.000 0.224 230 D C 1.089 177.501 176.300 0.186 0.000 1.174 230 D CA 0.140 54.301 54.000 0.268 0.000 0.829 230 D CB 0.579 41.597 40.800 0.363 0.000 0.993 230 D HN 0.492 nan 8.370 nan 0.000 0.497 231 T N 0.066 114.709 114.554 0.148 0.000 2.653 231 T HA -0.211 4.139 4.350 -0.001 0.000 0.268 231 T C 1.382 176.137 174.700 0.091 0.000 1.035 231 T CA 1.288 63.451 62.100 0.105 0.000 1.154 231 T CB -0.071 68.847 68.868 0.084 0.000 0.862 231 T HN 0.279 nan 8.240 nan 0.000 0.441 232 E N 0.334 120.589 120.200 0.092 0.000 2.476 232 E HA 0.192 4.542 4.350 -0.001 0.000 0.196 232 E C -0.483 176.166 176.600 0.082 0.000 1.029 232 E CA -0.253 56.191 56.400 0.075 0.000 0.896 232 E CB 0.564 30.301 29.700 0.062 0.000 1.012 232 E HN 0.204 nan 8.360 nan 0.000 0.475 233 V N 3.649 123.626 119.914 0.105 0.000 2.470 233 V HA 0.098 4.217 4.120 -0.001 0.000 0.276 233 V C -2.002 174.151 176.094 0.099 0.000 1.040 233 V CA -1.558 60.808 62.300 0.110 0.000 1.008 233 V CB 0.218 32.124 31.823 0.139 0.000 0.990 233 V HN 0.043 nan 8.190 nan 0.000 0.477 234 P HA 0.214 nan 4.420 nan 0.000 0.270 234 P C -0.737 176.607 177.300 0.073 0.000 1.223 234 P CA -0.137 63.005 63.100 0.070 0.000 0.785 234 P CB 0.468 32.208 31.700 0.067 0.000 0.923 235 L N 2.172 123.415 121.223 0.033 0.000 2.307 235 L HA 0.459 4.799 4.340 -0.001 0.000 0.284 235 L C 0.357 177.187 176.870 -0.066 0.000 1.023 235 L CA -1.041 53.803 54.840 0.005 0.000 0.810 235 L CB 1.144 43.199 42.059 -0.006 0.000 1.231 235 L HN 0.289 nan 8.230 nan 0.000 0.423 236 I N 2.765 123.253 120.570 -0.136 0.000 2.441 236 I HA 0.184 4.354 4.170 -0.001 0.000 0.287 236 I C -0.200 175.777 176.117 -0.233 0.000 1.049 236 I CA 0.451 61.568 61.300 -0.305 0.000 1.381 236 I CB 0.572 38.137 38.000 -0.723 0.000 1.409 236 I HN 0.572 nan 8.210 nan 0.000 0.523 237 E N 7.522 127.600 120.200 -0.203 0.000 2.199 237 E HA 0.500 4.850 4.350 -0.001 0.000 0.269 237 E C -1.713 174.817 176.600 -0.115 0.000 0.899 237 E CA -0.621 55.657 56.400 -0.204 0.000 0.772 237 E CB 1.979 31.590 29.700 -0.148 0.000 1.155 237 E HN 0.591 nan 8.360 nan 0.000 0.408 238 Y N -1.907 118.309 120.300 -0.141 0.000 2.609 238 Y HA 0.501 5.051 4.550 -0.001 0.000 0.336 238 Y C -0.668 175.154 175.900 -0.131 0.000 1.129 238 Y CA -1.299 56.720 58.100 -0.135 0.000 1.040 238 Y CB 0.776 39.164 38.460 -0.120 0.000 1.310 238 Y HN 0.201 nan 8.280 nan 0.000 0.460 239 S N 1.900 117.583 115.700 -0.028 0.000 2.565 239 S HA 0.421 4.890 4.470 -0.001 0.000 0.276 239 S C -1.343 173.080 174.600 -0.295 0.000 1.326 239 S CA -0.339 57.686 58.200 -0.293 0.000 1.045 239 S CB 0.178 63.047 63.200 -0.552 0.000 0.918 239 S HN 0.536 nan 8.310 nan 0.000 0.505 240 F N 2.858 122.537 119.950 -0.452 0.000 2.460 240 F HA 0.410 4.938 4.527 0.000 0.000 0.341 240 F C -0.150 175.436 175.800 -0.357 0.000 1.130 240 F CA -0.825 56.987 58.000 -0.312 0.000 0.962 240 F CB 0.670 39.624 39.000 -0.076 0.000 1.171 240 F HN 0.675 nan 8.300 nan 0.000 0.436 241 Y N 2.797 122.850 120.300 -0.411 0.000 2.365 241 Y HA 0.078 4.628 4.550 0.001 0.000 0.293 241 Y C 1.750 177.545 175.900 -0.175 0.000 1.119 241 Y CA 1.104 59.066 58.100 -0.230 0.000 1.203 241 Y CB -0.524 37.799 38.460 -0.228 0.000 1.026 241 Y HN 0.734 nan 8.280 nan 0.000 0.549 242 S N -0.143 115.398 115.700 -0.265 0.000 3.443 242 S HA -0.283 4.187 4.470 -0.001 0.000 0.635 242 S C -0.417 174.219 174.600 0.060 0.000 2.555 242 S CA 0.173 58.410 58.200 0.061 0.000 2.778 242 S CB -1.316 62.072 63.200 0.313 0.000 0.331 242 S HN 0.490 nan 8.310 nan 0.000 1.765 243 D N 1.415 121.879 120.400 0.106 0.000 2.449 243 D HA 0.222 4.861 4.640 -0.001 0.000 0.236 243 D C 1.387 177.717 176.300 0.050 0.000 1.149 243 D CA 0.901 54.943 54.000 0.070 0.000 0.878 243 D CB 0.348 41.192 40.800 0.073 0.000 1.198 243 D HN 0.529 nan 8.370 nan 0.000 0.446 244 E N 0.816 121.033 120.200 0.029 0.000 2.208 244 E HA -0.300 4.050 4.350 -0.001 0.000 0.202 244 E C 1.396 178.006 176.600 0.017 0.000 1.014 244 E CA 1.493 57.901 56.400 0.013 0.000 0.819 244 E CB 0.084 29.787 29.700 0.005 0.000 0.735 244 E HN 0.509 nan 8.360 nan 0.000 0.469 245 S N -0.151 115.566 115.700 0.028 0.000 2.515 245 S HA -0.034 4.436 4.470 -0.001 0.000 0.231 245 S C 1.068 175.691 174.600 0.038 0.000 0.987 245 S CA -0.079 58.137 58.200 0.028 0.000 0.936 245 S CB -0.066 63.153 63.200 0.031 0.000 0.766 245 S HN 0.236 nan 8.310 nan 0.000 0.528 246 L N 2.451 123.705 121.223 0.052 0.000 2.407 246 L HA 0.169 4.509 4.340 -0.001 0.000 0.282 246 L C 1.594 178.495 176.870 0.051 0.000 1.110 246 L CA -0.103 54.779 54.840 0.071 0.000 0.863 246 L CB 0.792 42.910 42.059 0.097 0.000 1.207 246 L HN 0.432 nan 8.230 nan 0.000 0.454 247 Q N 3.907 123.737 119.800 0.050 0.000 2.020 247 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 247 Q C -0.456 175.463 176.000 -0.136 0.000 0.982 247 Q CA 1.618 57.397 55.803 -0.040 0.000 0.838 247 Q CB 0.126 28.858 28.738 -0.010 0.000 0.899 247 Q HN 0.578 nan 8.270 nan 0.000 0.423 248 Y N 0.797 121.110 120.300 0.023 0.000 2.335 248 Y HA 0.328 4.878 4.550 0.000 0.000 0.339 248 Y C -1.921 173.994 175.900 0.026 0.000 0.987 248 Y CA -2.838 55.274 58.100 0.020 0.000 1.140 248 Y CB 1.048 39.512 38.460 0.007 0.000 1.173 248 Y HN 0.206 nan 8.280 nan 0.000 0.486 249 P HA -0.086 nan 4.420 nan 0.000 0.266 249 P C -0.477 176.851 177.300 0.047 0.000 1.186 249 P CA -0.068 63.075 63.100 0.072 0.000 0.767 249 P CB 0.688 32.401 31.700 0.023 0.000 0.820 250 K N 1.199 121.613 120.400 0.024 0.000 2.118 250 K HA 0.311 4.631 4.320 -0.001 0.000 0.267 250 K C -0.570 175.995 176.600 -0.058 0.000 0.991 250 K CA -0.280 56.016 56.287 0.014 0.000 0.916 250 K CB 0.626 33.164 32.500 0.065 0.000 1.041 250 K HN 0.334 nan 8.250 nan 0.000 0.455 251 T N 2.810 117.313 114.554 -0.085 0.000 2.743 251 T HA 0.224 4.573 4.350 -0.001 0.000 0.292 251 T C -0.517 174.062 174.700 -0.202 0.000 0.972 251 T CA -0.569 61.444 62.100 -0.145 0.000 0.967 251 T CB 0.973 69.769 68.868 -0.119 0.000 0.926 251 T HN 0.242 nan 8.240 nan 0.000 0.459 252 V N 5.585 125.285 119.914 -0.357 0.000 2.498 252 V HA 0.441 4.561 4.120 -0.001 0.000 0.279 252 V C 0.433 176.246 176.094 -0.468 0.000 1.048 252 V CA -0.526 61.498 62.300 -0.460 0.000 0.967 252 V CB 0.993 32.367 31.823 -0.748 0.000 0.988 252 V HN 0.711 nan 8.190 nan 0.000 0.473 253 R N 3.268 123.621 120.500 -0.244 0.000 2.480 253 R HA 0.778 5.118 4.340 -0.001 0.000 0.306 253 R C -1.690 174.590 176.300 -0.034 0.000 0.958 253 R CA -0.594 55.415 56.100 -0.152 0.000 0.861 253 R CB 2.287 32.533 30.300 -0.090 0.000 1.171 253 R HN 0.524 nan 8.270 nan 0.000 0.445 254 V N 3.793 123.695 119.914 -0.020 0.000 2.623 254 V HA 0.327 4.447 4.120 -0.001 0.000 0.304 254 V C -2.435 173.714 176.094 0.092 0.000 1.054 254 V CA -2.412 59.942 62.300 0.090 0.000 0.882 254 V CB 2.159 34.015 31.823 0.054 0.000 1.002 254 V HN 0.637 nan 8.190 nan 0.000 0.424 255 P HA 0.154 nan 4.420 nan 0.000 0.262 255 P C -1.281 176.125 177.300 0.177 0.000 1.199 255 P CA 0.465 63.669 63.100 0.173 0.000 0.763 255 P CB -0.139 31.700 31.700 0.232 0.000 0.790 256 Y N 5.910 126.201 120.300 -0.016 0.000 2.287 256 Y HA 0.333 4.883 4.550 -0.000 0.000 0.325 256 Y C -2.663 173.228 175.900 -0.015 0.000 1.139 256 Y CA -2.603 55.445 58.100 -0.086 0.000 1.167 256 Y CB 1.960 40.269 38.460 -0.252 0.000 1.158 256 Y HN 0.298 nan 8.280 nan 0.000 0.434 257 P HA 0.227 nan 4.420 nan 0.000 0.286 257 P C -1.076 176.283 177.300 0.098 0.000 1.321 257 P CA -0.145 62.997 63.100 0.070 0.000 0.790 257 P CB 1.293 33.019 31.700 0.043 0.000 0.897 258 K N 2.036 122.584 120.400 0.247 0.000 2.107 258 K HA 0.512 4.832 4.320 -0.001 0.000 0.251 258 K C 0.507 177.227 176.600 0.200 0.000 1.012 258 K CA -0.745 55.712 56.287 0.283 0.000 0.920 258 K CB 0.639 33.326 32.500 0.311 0.000 1.033 258 K HN 0.450 nan 8.250 nan 0.000 0.478 259 A N 0.973 123.941 122.820 0.246 0.000 2.583 259 A HA 0.217 4.537 4.320 -0.001 0.000 0.249 259 A C 1.215 178.865 177.584 0.110 0.000 1.035 259 A CA 1.153 53.326 52.037 0.226 0.000 0.777 259 A CB -1.274 17.957 19.000 0.385 0.000 0.942 259 A HN 0.933 nan 8.150 nan 0.000 0.516 260 G N 0.888 109.734 108.800 0.076 0.000 2.179 260 G HA2 0.120 4.079 3.960 -0.001 0.000 0.260 260 G HA3 0.120 4.079 3.960 -0.001 0.000 0.260 260 G C 0.641 175.564 174.900 0.038 0.000 0.977 260 G CA 0.782 45.896 45.100 0.023 0.000 0.641 260 G HN 2.218 nan 8.290 nan 0.000 0.533 261 A N -0.420 122.441 122.820 0.068 0.000 2.246 261 A HA 0.762 5.081 4.320 -0.001 0.000 0.291 261 A C 0.794 178.415 177.584 0.062 0.000 1.103 261 A CA 0.229 52.307 52.037 0.068 0.000 0.844 261 A CB 0.833 19.889 19.000 0.094 0.000 1.136 261 A HN 1.138 nan 8.150 nan 0.000 0.500 262 V N 2.702 122.651 119.914 0.060 0.000 2.450 262 V HA 0.006 4.126 4.120 -0.001 0.000 0.281 262 V C 0.316 176.455 176.094 0.075 0.000 1.019 262 V CA -0.053 62.281 62.300 0.056 0.000 1.062 262 V CB -0.471 31.385 31.823 0.055 0.000 0.979 262 V HN 0.784 nan 8.190 nan 0.000 0.477 263 N N 6.865 125.607 118.700 0.070 0.000 2.463 263 N HA 0.410 5.149 4.740 -0.001 0.000 0.270 263 N C -2.253 173.334 175.510 0.129 0.000 1.205 263 N CA -1.435 51.677 53.050 0.103 0.000 0.974 263 N CB 0.783 39.325 38.487 0.092 0.000 1.197 263 N HN 0.390 nan 8.380 nan 0.000 0.504 264 P HA 0.062 nan 4.420 nan 0.000 0.270 264 P C -0.519 176.924 177.300 0.237 0.000 1.223 264 P CA -0.054 63.195 63.100 0.248 0.000 0.785 264 P CB 0.276 32.179 31.700 0.339 0.000 0.923 265 T N -1.651 113.030 114.554 0.210 0.000 2.945 265 T HA 0.565 4.915 4.350 -0.001 0.000 0.286 265 T C -0.308 174.516 174.700 0.208 0.000 1.025 265 T CA -0.879 61.305 62.100 0.140 0.000 1.039 265 T CB 1.575 70.492 68.868 0.082 0.000 1.068 265 T HN 0.315 nan 8.240 nan 0.000 0.497 266 V N 0.994 121.013 119.914 0.174 0.000 2.789 266 V HA 0.687 4.807 4.120 -0.001 0.000 0.311 266 V C -1.302 174.892 176.094 0.167 0.000 1.073 266 V CA -0.819 61.573 62.300 0.153 0.000 0.921 266 V CB 1.916 33.881 31.823 0.237 0.000 1.009 266 V HN 0.982 nan 8.190 nan 0.000 0.426 267 K N 4.835 125.269 120.400 0.057 0.000 2.385 267 K HA 0.571 4.891 4.320 -0.001 0.000 0.248 267 K C -1.809 174.745 176.600 -0.077 0.000 0.955 267 K CA -0.540 55.747 56.287 0.000 0.000 0.816 267 K CB 2.904 35.392 32.500 -0.019 0.000 1.250 267 K HN 0.552 nan 8.250 nan 0.000 0.434 268 F N 1.943 121.637 119.950 -0.426 0.000 2.520 268 F HA 0.566 5.093 4.527 -0.001 0.000 0.322 268 F C -1.482 173.827 175.800 -0.817 0.000 1.103 268 F CA -0.679 57.054 58.000 -0.445 0.000 0.926 268 F CB 0.961 39.825 39.000 -0.228 0.000 1.154 268 F HN 0.395 nan 8.300 nan 0.000 0.453 269 F N 4.043 123.265 119.950 -1.213 0.000 2.588 269 F HA 0.727 5.254 4.527 -0.001 0.000 0.310 269 F C -1.055 174.111 175.800 -1.057 0.000 1.082 269 F CA -1.112 56.280 58.000 -1.014 0.000 0.929 269 F CB 2.235 40.483 39.000 -1.252 0.000 1.254 269 F HN 0.135 nan 8.300 nan 0.000 0.455 270 V N 2.917 122.623 119.914 -0.347 0.000 2.638 270 V HA 0.642 4.762 4.120 -0.001 0.000 0.306 270 V C -1.175 175.007 176.094 0.145 0.000 1.052 270 V CA -0.861 61.319 62.300 -0.200 0.000 0.885 270 V CB 1.999 33.504 31.823 -0.530 0.000 0.999 270 V HN 0.572 nan 8.190 nan 0.000 0.424 271 V N 4.043 124.113 119.914 0.261 0.000 2.656 271 V HA 0.551 4.670 4.120 -0.001 0.000 0.307 271 V C -0.429 175.900 176.094 0.393 0.000 1.051 271 V CA -0.618 61.864 62.300 0.304 0.000 0.893 271 V CB 2.163 34.112 31.823 0.209 0.000 0.999 271 V HN 0.935 nan 8.190 nan 0.000 0.426 272 N N 3.570 122.484 118.700 0.358 0.000 2.402 272 N HA 0.107 4.847 4.740 -0.001 0.000 0.252 272 N C 1.010 176.527 175.510 0.011 0.000 1.118 272 N CA 0.581 53.725 53.050 0.157 0.000 0.945 272 N CB 1.571 40.134 38.487 0.127 0.000 1.147 272 N HN 0.884 nan 8.380 nan 0.000 0.495 273 T N -0.709 113.834 114.554 -0.017 0.000 3.148 273 T HA 0.090 4.439 4.350 -0.001 0.000 0.253 273 T C 0.377 175.048 174.700 -0.048 0.000 1.134 273 T CA 0.312 62.414 62.100 0.003 0.000 1.051 273 T CB 0.130 69.094 68.868 0.161 0.000 0.959 273 T HN 0.256 nan 8.240 nan 0.000 0.525 274 D N 1.566 121.903 120.400 -0.105 0.000 2.340 274 D HA 0.127 4.767 4.640 -0.001 0.000 0.217 274 D C 0.993 177.243 176.300 -0.083 0.000 1.081 274 D CA 0.269 54.211 54.000 -0.096 0.000 0.842 274 D CB 0.531 41.256 40.800 -0.126 0.000 0.934 274 D HN 0.641 nan 8.370 nan 0.000 0.511 275 S N -0.421 115.225 115.700 -0.090 0.000 3.021 275 S HA 0.190 4.660 4.470 -0.001 0.000 0.252 275 S C 0.105 174.637 174.600 -0.114 0.000 0.996 275 S CA -0.579 57.580 58.200 -0.070 0.000 1.084 275 S CB 0.305 63.492 63.200 -0.022 0.000 1.021 275 S HN -0.145 nan 8.310 nan 0.000 0.566 276 L N 3.177 124.256 121.223 -0.240 0.000 2.418 276 L HA 0.458 4.798 4.340 -0.001 0.000 0.274 276 L C 0.582 177.205 176.870 -0.411 0.000 1.135 276 L CA 0.307 54.880 54.840 -0.445 0.000 0.870 276 L CB 0.722 42.237 42.059 -0.907 0.000 1.154 276 L HN 0.436 nan 8.230 nan 0.000 0.462 277 S N 1.091 116.689 115.700 -0.170 0.000 2.462 277 S HA 0.295 4.765 4.470 -0.001 0.000 0.294 277 S C 1.079 175.802 174.600 0.204 0.000 1.144 277 S CA -0.224 57.989 58.200 0.021 0.000 1.088 277 S CB 0.868 64.091 63.200 0.040 0.000 1.009 277 S HN 0.690 nan 8.310 nan 0.000 0.484 278 S N 3.709 119.607 115.700 0.330 0.000 2.607 278 S HA 0.014 4.484 4.470 -0.001 0.000 0.224 278 S C 1.227 175.939 174.600 0.187 0.000 0.969 278 S CA 0.334 58.735 58.200 0.335 0.000 0.927 278 S CB -0.192 63.155 63.200 0.245 0.000 0.772 278 S HN 0.549 nan 8.310 nan 0.000 0.533 279 V N 1.552 121.552 119.914 0.144 0.000 2.581 279 V HA 0.147 4.266 4.120 -0.001 0.000 0.240 279 V C 1.433 177.578 176.094 0.085 0.000 1.054 279 V CA 1.265 63.623 62.300 0.096 0.000 1.076 279 V CB -0.462 31.403 31.823 0.070 0.000 0.748 279 V HN 0.758 nan 8.190 nan 0.000 0.474 280 T N -1.435 113.169 114.554 0.083 0.000 2.940 280 T HA 0.414 4.764 4.350 -0.001 0.000 0.288 280 T C -0.321 174.429 174.700 0.084 0.000 1.033 280 T CA -0.715 61.421 62.100 0.060 0.000 1.033 280 T CB 1.491 70.382 68.868 0.038 0.000 1.079 280 T HN 0.091 nan 8.240 nan 0.000 0.496 281 N N 1.434 120.170 118.700 0.059 0.000 2.483 281 N HA 0.363 5.102 4.740 -0.001 0.000 0.264 281 N C 0.330 175.896 175.510 0.093 0.000 1.197 281 N CA -0.033 53.078 53.050 0.102 0.000 0.927 281 N CB 0.837 39.329 38.487 0.008 0.000 1.065 281 N HN 0.985 nan 8.380 nan 0.000 0.461 282 A N 1.951 124.842 122.820 0.118 0.000 2.565 282 A HA 0.078 4.398 4.320 -0.001 0.000 0.237 282 A C 0.769 178.400 177.584 0.079 0.000 1.053 282 A CA 0.214 52.293 52.037 0.069 0.000 0.755 282 A CB -0.084 18.940 19.000 0.040 0.000 0.980 282 A HN 0.558 nan 8.150 nan 0.000 0.506 283 T N 1.942 116.546 114.554 0.082 0.000 2.744 283 T HA 0.474 4.824 4.350 -0.001 0.000 0.291 283 T C -0.090 174.694 174.700 0.140 0.000 0.957 283 T CA -0.310 61.852 62.100 0.102 0.000 1.002 283 T CB -0.034 68.897 68.868 0.105 0.000 0.919 283 T HN 0.518 nan 8.240 nan 0.000 0.468 284 S N 6.325 122.108 115.700 0.138 0.000 2.448 284 S HA 0.432 4.901 4.470 -0.001 0.000 0.320 284 S C 0.120 174.886 174.600 0.276 0.000 1.071 284 S CA -0.840 57.470 58.200 0.183 0.000 1.113 284 S CB 0.129 63.370 63.200 0.069 0.000 0.972 284 S HN 0.656 nan 8.310 nan 0.000 0.465 285 I N 3.370 124.112 120.570 0.285 0.000 2.556 285 I HA 0.159 4.329 4.170 -0.001 0.000 0.284 285 I C 0.708 176.947 176.117 0.203 0.000 1.114 285 I CA 0.059 61.528 61.300 0.281 0.000 1.418 285 I CB 0.183 38.423 38.000 0.401 0.000 1.394 285 I HN 0.653 nan 8.210 nan 0.000 0.552 286 Q N 6.177 126.042 119.800 0.107 0.000 2.235 286 Q HA 0.531 4.871 4.340 -0.001 0.000 0.250 286 Q C -1.114 174.808 176.000 -0.130 0.000 0.909 286 Q CA -0.525 55.148 55.803 -0.216 0.000 0.910 286 Q CB 1.381 29.945 28.738 -0.290 0.000 1.223 286 Q HN 0.570 nan 8.270 nan 0.000 0.432 287 I N 4.043 124.510 120.570 -0.172 0.000 2.354 287 I HA 0.225 4.394 4.170 -0.001 0.000 0.286 287 I C 0.169 176.243 176.117 -0.072 0.000 1.007 287 I CA -0.773 60.501 61.300 -0.044 0.000 1.167 287 I CB 1.491 39.516 38.000 0.040 0.000 1.320 287 I HN 0.699 nan 8.210 nan 0.000 0.458 288 T N 2.959 117.436 114.554 -0.129 0.000 2.899 288 T HA 0.597 4.947 4.350 -0.001 0.000 0.295 288 T C 0.465 174.919 174.700 -0.410 0.000 1.033 288 T CA -0.835 61.129 62.100 -0.227 0.000 1.084 288 T CB 1.502 70.247 68.868 -0.204 0.000 0.979 288 T HN 0.602 nan 8.240 nan 0.000 0.532 289 A N 3.873 126.207 122.820 -0.809 0.000 2.466 289 A HA 0.487 4.806 4.320 -0.001 0.000 0.238 289 A C -1.722 175.357 177.584 -0.843 0.000 1.074 289 A CA -1.306 49.820 52.037 -1.519 0.000 0.774 289 A CB -0.794 17.034 19.000 -1.953 0.000 1.015 289 A HN 0.814 nan 8.150 nan 0.000 0.498 290 P HA 0.103 nan 4.420 nan 0.000 0.269 290 P C 0.802 177.895 177.300 -0.345 0.000 1.217 290 P CA 0.632 63.492 63.100 -0.399 0.000 0.783 290 P CB 0.611 32.143 31.700 -0.279 0.000 0.898 291 A N 2.512 125.199 122.820 -0.222 0.000 1.948 291 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 291 A C 2.117 179.600 177.584 -0.168 0.000 1.177 291 A CA 2.415 54.346 52.037 -0.178 0.000 0.636 291 A CB -1.795 17.132 19.000 -0.122 0.000 0.815 291 A HN 0.668 nan 8.150 nan 0.000 0.449 292 S N -1.434 114.184 115.700 -0.138 0.000 2.547 292 S HA 0.014 4.484 4.470 -0.001 0.000 0.235 292 S C 1.516 176.045 174.600 -0.119 0.000 0.980 292 S CA 1.296 59.438 58.200 -0.096 0.000 0.941 292 S CB -0.171 63.041 63.200 0.019 0.000 0.763 292 S HN 0.469 nan 8.310 nan 0.000 0.532 293 M N 0.188 119.650 119.600 -0.229 0.000 2.638 293 M HA 0.374 4.854 4.480 -0.001 0.000 0.256 293 M C 1.534 177.618 176.300 -0.360 0.000 1.282 293 M CA 0.472 55.584 55.300 -0.313 0.000 1.155 293 M CB -0.644 31.628 32.600 -0.546 0.000 1.345 293 M HN 0.301 nan 8.290 nan 0.000 0.523 294 L N 0.090 121.100 121.223 -0.355 0.000 2.551 294 L HA -0.080 4.259 4.340 -0.001 0.000 0.228 294 L C 2.110 178.928 176.870 -0.087 0.000 1.153 294 L CA 0.211 54.926 54.840 -0.208 0.000 0.851 294 L CB -0.510 41.422 42.059 -0.211 0.000 0.959 294 L HN 0.157 nan 8.230 nan 0.000 0.451 295 I N -0.328 120.185 120.570 -0.095 0.000 2.756 295 I HA -0.007 4.163 4.170 -0.001 0.000 0.262 295 I C 1.101 177.199 176.117 -0.031 0.000 1.225 295 I CA 0.522 61.783 61.300 -0.065 0.000 1.472 295 I CB -0.131 37.818 38.000 -0.085 0.000 1.094 295 I HN 0.183 nan 8.210 nan 0.000 0.454 296 G N -1.657 107.148 108.800 0.008 0.000 2.490 296 G HA2 0.186 4.146 3.960 -0.001 0.000 0.308 296 G HA3 0.186 4.146 3.960 -0.001 0.000 0.308 296 G C -1.588 173.360 174.900 0.079 0.000 1.286 296 G CA -0.754 44.359 45.100 0.023 0.000 0.825 296 G HN -0.128 nan 8.290 nan 0.000 0.479 297 D N 1.300 121.697 120.400 -0.006 0.000 2.472 297 D HA 0.443 5.083 4.640 -0.001 0.000 0.237 297 D C 0.472 176.710 176.300 -0.104 0.000 1.141 297 D CA 0.977 54.911 54.000 -0.110 0.000 0.875 297 D CB 0.271 40.986 40.800 -0.142 0.000 1.192 297 D HN 0.601 nan 8.370 nan 0.000 0.450 298 H N -0.950 117.966 119.070 -0.256 0.000 3.003 298 H HA 0.355 4.911 4.556 -0.000 0.000 0.327 298 H C -1.515 173.647 175.328 -0.276 0.000 1.353 298 H CA -0.844 55.063 56.048 -0.234 0.000 1.142 298 H CB 0.099 29.861 29.762 0.000 0.000 1.864 298 H HN 0.298 nan 8.280 nan 0.000 0.529 299 Y N 0.446 120.980 120.300 0.390 0.000 2.485 299 Y HA 0.394 4.944 4.550 -0.001 0.000 0.345 299 Y C -0.114 176.054 175.900 0.447 0.000 0.998 299 Y CA -1.164 57.158 58.100 0.370 0.000 1.059 299 Y CB 1.926 40.449 38.460 0.104 0.000 1.234 299 Y HN 0.487 nan 8.280 nan 0.000 0.461 300 L N 3.379 124.929 121.223 0.545 0.000 2.281 300 L HA 0.335 4.675 4.340 -0.001 0.000 0.285 300 L C 0.437 177.332 176.870 0.043 0.000 1.074 300 L CA -0.114 54.696 54.840 -0.050 0.000 0.817 300 L CB 0.270 42.197 42.059 -0.220 0.000 1.168 300 L HN 1.008 nan 8.230 nan 0.000 0.434 301 C N 0.814 120.000 119.300 -0.190 0.000 3.392 301 C HA 0.588 5.048 4.460 -0.001 0.000 0.301 301 C C 0.190 174.993 174.990 -0.312 0.000 1.354 301 C CA -0.294 58.543 59.018 -0.302 0.000 1.732 301 C CB -0.998 26.622 27.740 -0.200 0.000 2.269 301 C HN 0.857 nan 8.230 nan 0.000 0.673 302 D N -0.168 120.081 120.400 -0.251 0.000 2.803 302 D HA 0.589 5.229 4.640 -0.001 0.000 0.218 302 D C -1.489 174.555 176.300 -0.427 0.000 1.245 302 D CA -0.133 53.754 54.000 -0.189 0.000 0.821 302 D CB 2.287 42.969 40.800 -0.196 0.000 1.626 302 D HN 0.017 nan 8.370 nan 0.000 0.487 303 V N 2.490 122.097 119.914 -0.513 0.000 2.577 303 V HA 0.722 4.841 4.120 -0.001 0.000 0.303 303 V C -0.611 175.130 176.094 -0.588 0.000 1.042 303 V CA -0.483 61.270 62.300 -0.912 0.000 0.872 303 V CB 2.014 32.698 31.823 -1.897 0.000 0.998 303 V HN 0.735 nan 8.190 nan 0.000 0.423 304 T N 3.351 117.627 114.554 -0.463 0.000 3.143 304 T HA 0.325 4.675 4.350 -0.001 0.000 0.312 304 T C -0.972 173.604 174.700 -0.206 0.000 0.986 304 T CA -0.495 61.499 62.100 -0.176 0.000 1.024 304 T CB 0.760 69.590 68.868 -0.063 0.000 1.030 304 T HN 0.519 nan 8.240 nan 0.000 0.448 305 W N 2.056 123.315 121.300 -0.069 0.000 2.190 305 W HA 0.503 5.162 4.660 -0.001 0.000 0.330 305 W C 1.124 177.546 176.519 -0.162 0.000 1.299 305 W CA -0.259 57.040 57.345 -0.077 0.000 1.215 305 W CB 0.630 30.125 29.460 0.059 0.000 1.147 305 W HN 0.847 nan 8.180 nan 0.000 0.563 306 A N 1.753 124.498 122.820 -0.125 0.000 1.944 306 A HA 0.205 4.524 4.320 -0.001 0.000 0.207 306 A C 0.926 178.484 177.584 -0.042 0.000 1.265 306 A CA 1.472 53.223 52.037 -0.476 0.000 0.712 306 A CB -0.423 17.836 19.000 -1.236 0.000 0.915 306 A HN 0.529 nan 8.150 nan 0.000 0.470 307 T N -5.410 109.209 114.554 0.109 0.000 2.626 307 T HA 0.354 4.704 4.350 -0.001 0.000 0.279 307 T C 0.290 175.164 174.700 0.289 0.000 0.983 307 T CA -0.342 61.865 62.100 0.178 0.000 1.059 307 T CB 0.630 69.582 68.868 0.140 0.000 1.396 307 T HN -0.045 nan 8.240 nan 0.000 0.519 308 Q N 0.336 120.274 119.800 0.229 0.000 2.291 308 Q HA 0.072 4.412 4.340 -0.001 0.000 0.205 308 Q C 0.885 177.144 176.000 0.431 0.000 0.970 308 Q CA 1.411 57.356 55.803 0.236 0.000 0.876 308 Q CB -0.088 28.747 28.738 0.160 0.000 0.935 308 Q HN 0.819 nan 8.270 nan 0.000 0.455 309 E N -0.270 120.184 120.200 0.424 0.000 2.810 309 E HA 0.177 4.527 4.350 -0.001 0.000 0.214 309 E C -0.147 176.718 176.600 0.441 0.000 0.980 309 E CA -0.168 56.495 56.400 0.438 0.000 1.159 309 E CB 1.085 30.948 29.700 0.272 0.000 1.047 309 E HN -0.043 nan 8.360 nan 0.000 0.484 310 R N 1.604 122.378 120.500 0.456 0.000 2.538 310 R HA 0.528 4.867 4.340 -0.001 0.000 0.292 310 R C -1.708 174.617 176.300 0.042 0.000 1.008 310 R CA -0.428 55.815 56.100 0.240 0.000 0.896 310 R CB 1.265 31.602 30.300 0.061 0.000 1.187 310 R HN 0.058 nan 8.270 nan 0.000 0.440 311 I N 2.866 123.305 120.570 -0.219 0.000 2.689 311 I HA 0.446 4.616 4.170 -0.001 0.000 0.299 311 I C -1.026 174.783 176.117 -0.513 0.000 1.059 311 I CA -0.604 60.300 61.300 -0.661 0.000 1.055 311 I CB 2.379 39.578 38.000 -1.335 0.000 1.243 311 I HN 0.858 nan 8.210 nan 0.000 0.425 312 S N 7.212 122.592 115.700 -0.535 0.000 2.519 312 S HA 0.748 5.218 4.470 -0.001 0.000 0.309 312 S C -1.142 173.146 174.600 -0.520 0.000 1.100 312 S CA -0.722 57.237 58.200 -0.402 0.000 1.059 312 S CB 1.446 64.514 63.200 -0.220 0.000 1.008 312 S HN 0.420 nan 8.310 nan 0.000 0.478 313 L N 2.490 123.405 121.223 -0.513 0.000 2.334 313 L HA 0.613 4.953 4.340 -0.001 0.000 0.276 313 L C 0.107 176.664 176.870 -0.521 0.000 1.014 313 L CA -0.559 53.865 54.840 -0.693 0.000 0.815 313 L CB 1.460 42.972 42.059 -0.911 0.000 1.268 313 L HN 0.695 nan 8.230 nan 0.000 0.428 314 Q N 1.179 120.625 119.800 -0.590 0.000 2.316 314 Q HA 0.492 4.832 4.340 -0.001 0.000 0.264 314 Q C -1.728 173.999 176.000 -0.454 0.000 0.987 314 Q CA -0.434 55.141 55.803 -0.381 0.000 0.852 314 Q CB 1.859 30.444 28.738 -0.255 0.000 1.287 314 Q HN 0.492 nan 8.270 nan 0.000 0.448 315 W N 2.686 123.929 121.300 -0.095 0.000 2.689 315 W HA 0.642 5.301 4.660 -0.001 0.000 0.340 315 W C -0.775 175.762 176.519 0.030 0.000 1.060 315 W CA -0.511 56.825 57.345 -0.015 0.000 1.218 315 W CB 1.170 30.592 29.460 -0.063 0.000 1.410 315 W HN 0.298 nan 8.180 nan 0.000 0.528 316 L N 2.775 124.214 121.223 0.360 0.000 2.386 316 L HA 0.538 4.878 4.340 -0.001 0.000 0.271 316 L C 0.219 177.280 176.870 0.317 0.000 0.993 316 L CA -1.203 53.812 54.840 0.292 0.000 0.819 316 L CB 1.818 44.047 42.059 0.284 0.000 1.294 316 L HN 0.478 nan 8.230 nan 0.000 0.414 317 R N 1.553 122.208 120.500 0.259 0.000 2.679 317 R HA 0.135 4.474 4.340 -0.001 0.000 0.269 317 R C 0.959 177.345 176.300 0.143 0.000 1.076 317 R CA -0.181 56.027 56.100 0.180 0.000 1.160 317 R CB 0.803 31.195 30.300 0.153 0.000 1.054 317 R HN 0.563 nan 8.270 nan 0.000 0.507 318 R N 1.334 121.841 120.500 0.013 0.000 2.105 318 R HA -0.080 4.260 4.340 -0.001 0.000 0.239 318 R C 0.278 176.649 176.300 0.118 0.000 1.135 318 R CA 1.268 57.375 56.100 0.012 0.000 0.967 318 R CB -0.051 30.199 30.300 -0.085 0.000 0.861 318 R HN 0.460 nan 8.270 nan 0.000 0.442 319 I N 2.317 122.935 120.570 0.080 0.000 2.329 319 I HA -0.002 4.168 4.170 -0.001 0.000 0.295 319 I C 0.275 176.455 176.117 0.105 0.000 1.109 319 I CA 0.338 61.682 61.300 0.074 0.000 1.297 319 I CB 1.373 39.401 38.000 0.047 0.000 1.433 319 I HN 0.156 nan 8.210 nan 0.000 0.509 320 Q N 5.100 124.959 119.800 0.097 0.000 2.404 320 Q HA 0.015 4.355 4.340 -0.001 0.000 0.272 320 Q C 0.465 176.542 176.000 0.128 0.000 0.939 320 Q CA -0.039 55.835 55.803 0.118 0.000 0.945 320 Q CB -0.355 28.412 28.738 0.048 0.000 1.195 320 Q HN 0.658 nan 8.270 nan 0.000 0.415 321 N N -0.791 117.987 118.700 0.131 0.000 2.200 321 N HA -0.031 4.708 4.740 -0.001 0.000 0.224 321 N C -1.092 174.517 175.510 0.164 0.000 1.179 321 N CA -0.242 52.875 53.050 0.112 0.000 0.877 321 N CB 0.334 38.863 38.487 0.069 0.000 1.072 321 N HN 0.193 nan 8.380 nan 0.000 0.519 322 Y N 1.243 121.566 120.300 0.038 0.000 2.332 322 Y HA 0.533 5.082 4.550 -0.001 0.000 0.325 322 Y C -1.111 174.819 175.900 0.051 0.000 1.054 322 Y CA -0.808 57.312 58.100 0.033 0.000 1.119 322 Y CB 1.371 39.844 38.460 0.021 0.000 1.168 322 Y HN 0.168 nan 8.280 nan 0.000 0.439 323 S N 3.982 119.528 115.700 -0.257 0.000 2.599 323 S HA 0.925 5.395 4.470 -0.001 0.000 0.287 323 S C -1.878 172.574 174.600 -0.247 0.000 1.105 323 S CA -0.802 57.326 58.200 -0.120 0.000 0.899 323 S CB 2.083 65.264 63.200 -0.032 0.000 1.100 323 S HN 0.441 nan 8.310 nan 0.000 0.482 324 V N 2.338 122.213 119.914 -0.066 0.000 2.686 324 V HA 0.506 4.626 4.120 -0.001 0.000 0.306 324 V C -0.701 175.404 176.094 0.018 0.000 1.065 324 V CA -0.610 61.661 62.300 -0.048 0.000 0.894 324 V CB 1.908 33.736 31.823 0.010 0.000 1.004 324 V HN 1.025 nan 8.190 nan 0.000 0.424 325 M N 4.014 123.598 119.600 -0.026 0.000 2.129 325 M HA 0.472 4.952 4.480 -0.001 0.000 0.348 325 M C -1.066 175.233 176.300 -0.002 0.000 1.116 325 M CA -0.342 54.922 55.300 -0.059 0.000 1.022 325 M CB 0.844 33.340 32.600 -0.174 0.000 1.599 325 M HN 0.576 nan 8.290 nan 0.000 0.449 326 D N 5.244 125.643 120.400 -0.003 0.000 2.198 326 D HA 0.414 5.054 4.640 -0.001 0.000 0.245 326 D C -0.976 175.281 176.300 -0.072 0.000 1.079 326 D CA -0.051 53.946 54.000 -0.005 0.000 0.854 326 D CB 1.389 42.213 40.800 0.040 0.000 1.148 326 D HN 0.513 nan 8.370 nan 0.000 0.456 327 I N 2.719 123.274 120.570 -0.026 0.000 2.330 327 I HA 0.210 4.380 4.170 -0.001 0.000 0.289 327 I C -0.353 175.751 176.117 -0.020 0.000 1.001 327 I CA -0.326 60.946 61.300 -0.047 0.000 1.193 327 I CB 1.115 39.131 38.000 0.026 0.000 1.345 327 I HN 0.227 nan 8.210 nan 0.000 0.461 328 c N 4.625 123.203 118.600 -0.036 0.000 2.322 328 c HA 0.486 5.056 4.570 -0.001 0.000 0.324 328 c C -0.259 173.979 174.090 0.247 0.000 1.284 328 c CA -0.940 55.443 56.329 0.090 0.000 1.606 328 c CB 0.535 43.090 42.510 0.076 0.000 2.251 328 c HN 0.628 nan 8.230 nan 0.000 0.502 329 D N 0.753 121.273 120.400 0.200 0.000 2.163 329 D HA 0.198 4.838 4.640 -0.001 0.000 0.248 329 D C -0.855 175.398 176.300 -0.078 0.000 1.035 329 D CA -0.158 53.914 54.000 0.121 0.000 0.872 329 D CB 1.795 42.613 40.800 0.032 0.000 1.183 329 D HN 0.628 nan 8.370 nan 0.000 0.445 330 Y N 1.746 121.681 120.300 -0.608 0.000 2.359 330 Y HA 0.085 4.635 4.550 -0.001 0.000 0.334 330 Y C 0.046 175.640 175.900 -0.509 0.000 1.058 330 Y CA -0.204 57.208 58.100 -1.147 0.000 1.244 330 Y CB 0.638 38.163 38.460 -1.560 0.000 1.187 330 Y HN 0.169 nan 8.280 nan 0.000 0.510 331 D N 5.530 125.288 120.400 -1.070 0.000 2.256 331 D HA 0.066 4.705 4.640 -0.001 0.000 0.250 331 D C 0.441 176.187 176.300 -0.923 0.000 1.093 331 D CA -0.070 53.496 54.000 -0.724 0.000 0.882 331 D CB 1.144 41.673 40.800 -0.451 0.000 1.185 331 D HN 0.707 nan 8.370 nan 0.000 0.437 332 E N 1.160 121.089 120.200 -0.452 0.000 4.228 332 E HA -0.105 4.244 4.350 -0.001 0.000 0.560 332 E C 0.253 176.741 176.600 -0.187 0.000 0.656 332 E CA 0.542 56.799 56.400 -0.238 0.000 3.740 332 E CB -0.682 28.964 29.700 -0.089 0.000 1.471 332 E HN 0.563 nan 8.360 nan 0.000 0.348 333 S N 0.049 115.697 115.700 -0.087 0.000 2.466 333 S HA 0.218 4.688 4.470 -0.001 0.000 0.286 333 S C 0.580 175.130 174.600 -0.082 0.000 1.221 333 S CA 0.451 58.620 58.200 -0.052 0.000 1.091 333 S CB 0.289 63.477 63.200 -0.020 0.000 0.956 333 S HN 0.537 nan 8.310 nan 0.000 0.501 334 S N 2.059 117.711 115.700 -0.081 0.000 1.556 334 S HA -0.009 4.460 4.470 -0.001 0.000 0.243 334 S C 1.347 175.890 174.600 -0.094 0.000 0.626 334 S CA 0.283 58.431 58.200 -0.088 0.000 0.979 334 S CB -1.991 61.135 63.200 -0.124 0.000 0.854 334 S HN 2.380 nan 8.310 nan 0.000 0.495 335 G N 2.762 111.449 108.800 -0.188 0.000 2.305 335 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.287 335 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.287 335 G C -0.049 174.838 174.900 -0.021 0.000 1.036 335 G CA 0.901 45.948 45.100 -0.089 0.000 0.887 335 G HN 0.937 nan 8.290 nan 0.000 0.505 336 R N -2.218 118.141 120.500 -0.234 0.000 2.943 336 R HA 0.742 5.081 4.340 -0.001 0.000 0.246 336 R C -0.922 175.242 176.300 -0.227 0.000 1.201 336 R CA -0.995 55.073 56.100 -0.053 0.000 1.056 336 R CB 0.978 31.273 30.300 -0.008 0.000 1.243 336 R HN 0.175 nan 8.270 nan 0.000 0.498 337 W N 0.396 121.700 121.300 0.007 0.000 2.532 337 W HA 0.423 5.083 4.660 -0.000 0.000 0.321 337 W C -0.677 175.818 176.519 -0.039 0.000 1.037 337 W CA -0.360 56.982 57.345 -0.004 0.000 1.220 337 W CB 1.222 30.686 29.460 0.008 0.000 1.361 337 W HN 0.406 nan 8.180 nan 0.000 0.468 338 N N 2.109 120.882 118.700 0.121 0.000 2.362 338 N HA 0.560 5.300 4.740 -0.001 0.000 0.298 338 N C -1.384 174.164 175.510 0.063 0.000 1.048 338 N CA -0.690 52.393 53.050 0.054 0.000 0.858 338 N CB 1.238 39.719 38.487 -0.010 0.000 1.218 338 N HN 0.206 nan 8.380 nan 0.000 0.488 339 c N 3.001 121.619 118.600 0.031 0.000 2.621 339 c HA 0.349 4.919 4.570 -0.001 0.000 0.272 339 c C -0.022 174.064 174.090 -0.007 0.000 1.119 339 c CA -1.026 55.311 56.329 0.013 0.000 1.593 339 c CB -1.660 40.847 42.510 -0.005 0.000 1.749 339 c HN 0.623 nan 8.230 nan 0.000 0.420 340 L N 1.648 122.871 121.223 -0.001 0.000 2.559 340 L HA -0.020 4.319 4.340 -0.001 0.000 0.282 340 L C 1.671 178.529 176.870 -0.020 0.000 1.232 340 L CA 0.752 55.585 54.840 -0.010 0.000 0.885 340 L CB 0.291 42.348 42.059 -0.002 0.000 1.131 340 L HN 0.522 nan 8.230 nan 0.000 0.498 341 V N 3.254 123.149 119.914 -0.031 0.000 2.407 341 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 341 V C 2.107 178.171 176.094 -0.050 0.000 1.055 341 V CA 1.996 64.271 62.300 -0.042 0.000 1.049 341 V CB -0.582 31.215 31.823 -0.044 0.000 0.662 341 V HN 1.026 nan 8.190 nan 0.000 0.455 342 A N -0.816 121.978 122.820 -0.042 0.000 2.239 342 A HA -0.083 4.237 4.320 -0.001 0.000 0.209 342 A C 2.126 179.670 177.584 -0.067 0.000 1.171 342 A CA 0.885 52.890 52.037 -0.054 0.000 0.768 342 A CB -0.391 18.588 19.000 -0.034 0.000 0.790 342 A HN 0.529 nan 8.150 nan 0.000 0.478 343 R N -0.466 120.012 120.500 -0.038 0.000 2.432 343 R HA 0.135 4.474 4.340 -0.001 0.000 0.260 343 R C -0.259 176.048 176.300 0.012 0.000 0.935 343 R CA -0.106 56.004 56.100 0.017 0.000 1.080 343 R CB 0.306 30.657 30.300 0.085 0.000 1.155 343 R HN 0.601 nan 8.270 nan 0.000 0.531 344 Q N 0.483 120.230 119.800 -0.089 0.000 2.286 344 Q HA 0.116 4.455 4.340 -0.001 0.000 0.257 344 Q C -0.918 174.951 176.000 -0.219 0.000 0.941 344 Q CA 0.252 56.015 55.803 -0.066 0.000 0.912 344 Q CB 1.111 29.812 28.738 -0.060 0.000 1.192 344 Q HN 0.173 nan 8.270 nan 0.000 0.410 345 H N 1.574 120.606 119.070 -0.063 0.000 2.638 345 H HA 0.359 4.915 4.556 -0.001 0.000 0.317 345 H C -0.606 174.647 175.328 -0.126 0.000 1.006 345 H CA -0.355 55.643 56.048 -0.083 0.000 1.222 345 H CB 0.688 30.365 29.762 -0.143 0.000 1.419 345 H HN 0.449 nan 8.280 nan 0.000 0.489 346 I N 2.440 122.976 120.570 -0.056 0.000 2.395 346 I HA 0.134 4.303 4.170 -0.001 0.000 0.289 346 I C 0.325 176.359 176.117 -0.138 0.000 1.023 346 I CA 0.069 61.262 61.300 -0.178 0.000 1.350 346 I CB 0.886 38.758 38.000 -0.212 0.000 1.409 346 I HN 0.555 nan 8.210 nan 0.000 0.507 347 E N 8.331 128.409 120.200 -0.203 0.000 2.191 347 E HA 0.583 4.932 4.350 -0.001 0.000 0.263 347 E C -0.981 175.522 176.600 -0.160 0.000 0.881 347 E CA -0.699 55.632 56.400 -0.115 0.000 0.757 347 E CB 1.432 31.092 29.700 -0.066 0.000 1.147 347 E HN 0.604 nan 8.360 nan 0.000 0.414 348 M N 1.151 120.701 119.600 -0.082 0.000 2.744 348 M HA 0.659 5.138 4.480 -0.001 0.000 0.283 348 M C -1.274 175.021 176.300 -0.009 0.000 1.275 348 M CA -0.891 54.386 55.300 -0.039 0.000 0.796 348 M CB 2.306 34.913 32.600 0.012 0.000 1.739 348 M HN 0.274 nan 8.290 nan 0.000 0.454 349 S N -0.414 115.284 115.700 -0.003 0.000 2.572 349 S HA 0.466 4.935 4.470 -0.001 0.000 0.274 349 S C 0.185 174.761 174.600 -0.040 0.000 1.150 349 S CA 0.093 58.268 58.200 -0.042 0.000 0.944 349 S CB 1.761 64.888 63.200 -0.121 0.000 1.071 349 S HN 0.955 nan 8.310 nan 0.000 0.479 350 T N 0.207 114.739 114.554 -0.037 0.000 3.035 350 T HA 0.009 4.359 4.350 -0.001 0.000 0.259 350 T C 1.605 176.268 174.700 -0.061 0.000 1.078 350 T CA 1.300 63.382 62.100 -0.030 0.000 1.132 350 T CB -0.586 68.274 68.868 -0.013 0.000 0.900 350 T HN 0.706 nan 8.240 nan 0.000 0.480 351 T N -1.996 112.500 114.554 -0.097 0.000 3.044 351 T HA 0.589 4.939 4.350 -0.001 0.000 0.250 351 T C 1.045 175.521 174.700 -0.374 0.000 1.081 351 T CA 0.292 62.320 62.100 -0.120 0.000 1.040 351 T CB 0.263 69.134 68.868 0.006 0.000 0.962 351 T HN 0.658 nan 8.240 nan 0.000 0.506 352 G N 0.350 108.788 108.800 -0.604 0.000 2.677 352 G HA2 0.492 4.452 3.960 -0.001 0.000 0.283 352 G HA3 0.492 4.452 3.960 -0.001 0.000 0.283 352 G C -1.740 172.906 174.900 -0.424 0.000 1.221 352 G CA -0.737 43.795 45.100 -0.946 0.000 0.851 352 G HN 0.497 nan 8.290 nan 0.000 0.504 353 W N -0.234 120.838 121.300 -0.380 0.000 2.332 353 W HA 0.754 5.413 4.660 -0.000 0.000 0.351 353 W C -0.068 176.399 176.519 -0.086 0.000 1.195 353 W CA -1.391 55.844 57.345 -0.183 0.000 1.334 353 W CB 1.032 30.368 29.460 -0.206 0.000 1.206 353 W HN 0.414 nan 8.180 nan 0.000 0.637 354 V N 3.717 123.690 119.914 0.098 0.000 2.509 354 V HA 0.735 4.855 4.120 -0.001 0.000 0.284 354 V C 0.572 176.727 176.094 0.101 0.000 1.047 354 V CA 0.658 62.973 62.300 0.026 0.000 0.952 354 V CB 0.246 32.082 31.823 0.023 0.000 0.988 354 V HN 1.671 nan 8.190 nan 0.000 0.469 355 G N 6.162 114.979 108.800 0.029 0.000 2.828 355 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.463 355 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.463 355 G C 0.267 175.233 174.900 0.110 0.000 1.394 355 G CA 0.355 45.500 45.100 0.075 0.000 0.862 355 G HN 0.904 nan 8.290 nan 0.000 0.540 356 R N -0.973 119.601 120.500 0.124 0.000 2.056 356 R HA 0.160 4.499 4.340 -0.001 0.000 0.227 356 R C 2.165 178.478 176.300 0.021 0.000 1.149 356 R CA 2.173 58.319 56.100 0.076 0.000 0.937 356 R CB -0.133 30.217 30.300 0.083 0.000 0.835 356 R HN 0.464 nan 8.270 nan 0.000 0.430 357 F N -0.674 119.415 119.950 0.231 0.000 2.740 357 F HA 0.259 4.785 4.527 -0.001 0.000 0.304 357 F C 0.582 176.412 175.800 0.050 0.000 1.098 357 F CA -0.420 57.665 58.000 0.142 0.000 1.258 357 F CB 0.707 39.782 39.000 0.126 0.000 1.061 357 F HN -0.089 nan 8.300 nan 0.000 0.598 358 R N -0.438 120.199 120.500 0.228 0.000 2.692 358 R HA 0.451 4.790 4.340 -0.001 0.000 0.269 358 R C -3.393 172.961 176.300 0.090 0.000 1.030 358 R CA -1.921 54.234 56.100 0.092 0.000 0.882 358 R CB 0.572 30.878 30.300 0.012 0.000 1.250 358 R HN -0.312 nan 8.270 nan 0.000 0.465 359 P HA -0.026 nan 4.420 nan 0.000 0.266 359 P C -0.186 177.132 177.300 0.031 0.000 1.195 359 P CA 0.165 63.280 63.100 0.026 0.000 0.768 359 P CB 0.806 32.495 31.700 -0.018 0.000 0.838 360 S N 1.753 117.487 115.700 0.056 0.000 2.580 360 S HA 0.072 4.542 4.470 -0.001 0.000 0.266 360 S C 0.151 174.776 174.600 0.042 0.000 1.354 360 S CA -0.566 57.686 58.200 0.085 0.000 1.008 360 S CB 0.032 63.306 63.200 0.122 0.000 0.898 360 S HN 0.468 nan 8.310 nan 0.000 0.555 361 E N 3.314 123.556 120.200 0.071 0.000 2.266 361 E HA 0.413 4.763 4.350 -0.001 0.000 0.277 361 E C -2.821 173.759 176.600 -0.034 0.000 1.018 361 E CA -2.331 54.058 56.400 -0.019 0.000 0.840 361 E CB 0.742 30.427 29.700 -0.024 0.000 1.082 361 E HN 0.314 nan 8.360 nan 0.000 0.395 362 P HA 0.218 nan 4.420 nan 0.000 0.282 362 P C -0.743 176.399 177.300 -0.263 0.000 1.249 362 P CA -0.237 62.723 63.100 -0.234 0.000 0.806 362 P CB 0.671 31.901 31.700 -0.783 0.000 0.984 363 H N 2.423 121.522 119.070 0.048 0.000 2.762 363 H HA 0.295 4.851 4.556 -0.001 0.000 0.310 363 H C -0.229 175.234 175.328 0.225 0.000 1.004 363 H CA -0.330 55.833 56.048 0.191 0.000 1.267 363 H CB 0.337 30.236 29.762 0.229 0.000 1.437 363 H HN 0.316 nan 8.280 nan 0.000 0.498 364 F N 1.712 121.852 119.950 0.316 0.000 2.382 364 F HA 0.079 4.606 4.527 -0.001 0.000 0.331 364 F C 1.584 177.572 175.800 0.314 0.000 1.121 364 F CA -0.409 57.776 58.000 0.309 0.000 1.183 364 F CB 0.998 40.112 39.000 0.190 0.000 1.207 364 F HN 0.369 nan 8.300 nan 0.000 0.555 365 T N 0.234 115.083 114.554 0.492 0.000 2.766 365 T HA 0.108 4.458 4.350 -0.001 0.000 0.295 365 T C 1.064 175.952 174.700 0.314 0.000 1.024 365 T CA -0.773 61.551 62.100 0.374 0.000 1.018 365 T CB 0.695 69.756 68.868 0.322 0.000 1.002 365 T HN 0.522 nan 8.240 nan 0.000 0.532 366 L N 1.379 122.743 121.223 0.235 0.000 1.989 366 L HA -0.090 4.250 4.340 -0.001 0.000 0.211 366 L C 2.331 179.303 176.870 0.170 0.000 1.071 366 L CA 2.322 57.274 54.840 0.186 0.000 0.749 366 L CB -1.076 41.071 42.059 0.145 0.000 0.890 366 L HN 0.943 nan 8.230 nan 0.000 0.431 367 D N -1.263 119.235 120.400 0.163 0.000 2.350 367 D HA -0.036 4.604 4.640 -0.001 0.000 0.216 367 D C 1.634 178.027 176.300 0.154 0.000 0.968 367 D CA 0.909 54.993 54.000 0.141 0.000 0.894 367 D CB -0.612 40.262 40.800 0.124 0.000 0.909 367 D HN 0.467 nan 8.370 nan 0.000 0.520 368 G N 0.756 109.683 108.800 0.212 0.000 2.155 368 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.257 368 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.257 368 G C 0.875 175.954 174.900 0.297 0.000 0.983 368 G CA 0.410 45.654 45.100 0.241 0.000 0.676 368 G HN 0.379 nan 8.290 nan 0.000 0.528 369 N N -0.036 118.812 118.700 0.247 0.000 2.412 369 N HA 0.194 4.933 4.740 -0.001 0.000 0.184 369 N C 0.577 176.198 175.510 0.185 0.000 1.101 369 N CA 0.992 54.160 53.050 0.198 0.000 0.881 369 N CB 0.447 39.012 38.487 0.129 0.000 0.969 369 N HN 0.404 nan 8.380 nan 0.000 0.459 370 S N -0.518 115.321 115.700 0.233 0.000 2.588 370 S HA 0.708 5.178 4.470 -0.001 0.000 0.275 370 S C -1.321 173.361 174.600 0.138 0.000 1.130 370 S CA -0.767 57.453 58.200 0.034 0.000 0.855 370 S CB 1.418 64.593 63.200 -0.042 0.000 1.116 370 S HN 0.195 nan 8.310 nan 0.000 0.472 371 F N -0.377 119.374 119.950 -0.332 0.000 2.711 371 F HA 0.808 5.335 4.527 -0.001 0.000 0.313 371 F C -2.122 173.457 175.800 -0.368 0.000 1.141 371 F CA -1.275 56.462 58.000 -0.439 0.000 0.941 371 F CB 0.775 39.096 39.000 -1.131 0.000 1.349 371 F HN 0.498 nan 8.300 nan 0.000 0.464 372 Y N 0.880 121.309 120.300 0.215 0.000 2.446 372 Y HA 0.681 5.231 4.550 -0.001 0.000 0.345 372 Y C -0.640 175.441 175.900 0.301 0.000 0.984 372 Y CA -0.965 57.254 58.100 0.198 0.000 1.058 372 Y CB 2.317 40.858 38.460 0.134 0.000 1.220 372 Y HN 0.721 nan 8.280 nan 0.000 0.455 373 K N 1.056 121.703 120.400 0.412 0.000 2.551 373 K HA 0.655 4.974 4.320 -0.001 0.000 0.269 373 K C -1.793 174.959 176.600 0.252 0.000 0.949 373 K CA -0.763 55.722 56.287 0.330 0.000 0.849 373 K CB 1.763 34.413 32.500 0.250 0.000 1.411 373 K HN 0.584 nan 8.250 nan 0.000 0.432 374 I N 3.571 124.260 120.570 0.199 0.000 2.471 374 I HA 0.295 4.465 4.170 -0.001 0.000 0.286 374 I C 0.150 176.362 176.117 0.159 0.000 1.079 374 I CA -0.452 60.942 61.300 0.157 0.000 1.398 374 I CB 0.149 38.220 38.000 0.118 0.000 1.403 374 I HN 0.630 nan 8.210 nan 0.000 0.530 375 I N 2.284 122.974 120.570 0.199 0.000 2.994 375 I HA 0.518 4.688 4.170 -0.001 0.000 0.306 375 I C -0.082 176.151 176.117 0.193 0.000 1.195 375 I CA -0.844 60.569 61.300 0.188 0.000 1.001 375 I CB 2.279 40.415 38.000 0.227 0.000 1.244 375 I HN 0.516 nan 8.210 nan 0.000 0.437 376 S N 2.418 118.170 115.700 0.085 0.000 2.528 376 S HA 0.279 4.748 4.470 -0.001 0.000 0.277 376 S C 0.027 174.648 174.600 0.034 0.000 1.297 376 S CA -0.621 57.576 58.200 -0.005 0.000 1.052 376 S CB 0.368 63.501 63.200 -0.113 0.000 0.917 376 S HN 0.827 nan 8.310 nan 0.000 0.492 377 N N 2.034 120.639 118.700 -0.159 0.000 2.332 377 N HA 0.046 4.786 4.740 -0.001 0.000 0.282 377 N C 1.205 176.619 175.510 -0.160 0.000 1.288 377 N CA -0.082 52.745 53.050 -0.372 0.000 0.949 377 N CB -0.049 37.879 38.487 -0.930 0.000 1.108 377 N HN 0.732 nan 8.380 nan 0.000 0.542 378 E N -0.467 119.635 120.200 -0.163 0.000 2.150 378 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 378 E C 0.689 177.234 176.600 -0.092 0.000 0.985 378 E CA 1.425 57.776 56.400 -0.083 0.000 0.814 378 E CB -0.691 28.975 29.700 -0.057 0.000 0.752 378 E HN 0.924 nan 8.360 nan 0.000 0.466 379 E N 0.084 120.221 120.200 -0.104 0.000 2.465 379 E HA 0.231 4.580 4.350 -0.001 0.000 0.191 379 E C 0.889 177.395 176.600 -0.157 0.000 1.053 379 E CA 0.389 56.746 56.400 -0.070 0.000 0.869 379 E CB 0.065 29.771 29.700 0.011 0.000 0.977 379 E HN 0.298 nan 8.360 nan 0.000 0.483 380 G N 0.527 109.205 108.800 -0.204 0.000 2.176 380 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.232 380 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.232 380 G C -0.269 174.363 174.900 -0.447 0.000 0.986 380 G CA 0.062 44.958 45.100 -0.341 0.000 0.643 380 G HN 0.325 nan 8.290 nan 0.000 0.522 381 Y N 0.934 121.108 120.300 -0.211 0.000 2.299 381 Y HA 0.607 5.156 4.550 -0.001 0.000 0.326 381 Y C 1.334 177.078 175.900 -0.261 0.000 1.164 381 Y CA -0.626 57.331 58.100 -0.237 0.000 1.234 381 Y CB 0.761 39.093 38.460 -0.213 0.000 1.219 381 Y HN 0.054 nan 8.280 nan 0.000 0.497 382 R N 3.792 124.169 120.500 -0.205 0.000 2.248 382 R HA 0.273 4.613 4.340 -0.001 0.000 0.328 382 R C -0.783 175.216 176.300 -0.502 0.000 1.067 382 R CA -0.123 55.841 56.100 -0.226 0.000 0.924 382 R CB 0.153 30.372 30.300 -0.135 0.000 1.013 382 R HN 0.668 nan 8.270 nan 0.000 0.454 383 H N 1.632 120.643 119.070 -0.098 0.000 2.977 383 H HA 0.326 4.882 4.556 -0.000 0.000 0.350 383 H C -0.220 175.156 175.328 0.080 0.000 1.238 383 H CA -0.945 55.020 56.048 -0.138 0.000 1.124 383 H CB 1.650 31.215 29.762 -0.329 0.000 1.866 383 H HN 0.317 nan 8.280 nan 0.000 0.550 384 I N 1.417 122.063 120.570 0.127 0.000 2.396 384 I HA 0.038 4.207 4.170 -0.001 0.000 0.289 384 I C 0.414 176.585 176.117 0.089 0.000 1.056 384 I CA 0.155 61.499 61.300 0.074 0.000 1.365 384 I CB 0.248 38.194 38.000 -0.090 0.000 1.407 384 I HN 0.142 nan 8.210 nan 0.000 0.509 385 c N 6.842 125.441 118.600 -0.002 0.000 2.391 385 c HA 0.414 4.984 4.570 -0.001 0.000 0.339 385 c C -0.411 173.543 174.090 -0.226 0.000 1.205 385 c CA -0.574 55.527 56.329 -0.381 0.000 1.937 385 c CB 0.916 42.950 42.510 -0.795 0.000 2.341 385 c HN 0.710 nan 8.230 nan 0.000 0.516 386 Y N 3.961 123.895 120.300 -0.611 0.000 2.334 386 Y HA 0.638 5.188 4.550 -0.001 0.000 0.336 386 Y C -1.038 174.356 175.900 -0.844 0.000 0.960 386 Y CA -0.630 57.079 58.100 -0.651 0.000 1.164 386 Y CB 0.462 38.647 38.460 -0.460 0.000 1.155 386 Y HN 0.662 nan 8.280 nan 0.000 0.478 387 F N 3.983 123.166 119.950 -1.279 0.000 2.492 387 F HA 0.428 4.955 4.527 -0.001 0.000 0.327 387 F C -0.334 174.764 175.800 -1.171 0.000 1.079 387 F CA -0.915 56.352 58.000 -1.222 0.000 0.967 387 F CB 1.619 39.634 39.000 -1.641 0.000 1.169 387 F HN 0.349 nan 8.300 nan 0.000 0.472 388 Q N 3.064 122.566 119.800 -0.496 0.000 2.257 388 Q HA 0.277 4.617 4.340 -0.001 0.000 0.255 388 Q C 0.999 177.002 176.000 0.005 0.000 0.920 388 Q CA -0.542 55.097 55.803 -0.274 0.000 0.927 388 Q CB 2.130 30.756 28.738 -0.186 0.000 1.229 388 Q HN 0.632 nan 8.270 nan 0.000 0.433 389 I N 1.424 122.055 120.570 0.101 0.000 2.236 389 I HA -0.280 3.889 4.170 -0.001 0.000 0.249 389 I C 0.948 177.235 176.117 0.283 0.000 1.102 389 I CA 1.639 63.104 61.300 0.274 0.000 1.365 389 I CB -0.372 37.776 38.000 0.245 0.000 1.051 389 I HN 0.563 nan 8.210 nan 0.000 0.420 390 D N 0.251 120.739 120.400 0.146 0.000 2.349 390 D HA 0.081 4.720 4.640 -0.001 0.000 0.214 390 D C 0.626 176.954 176.300 0.046 0.000 1.063 390 D CA 0.411 54.461 54.000 0.083 0.000 0.847 390 D CB 0.554 41.380 40.800 0.045 0.000 0.933 390 D HN 0.321 nan 8.370 nan 0.000 0.513 391 K N 0.157 120.603 120.400 0.076 0.000 2.316 391 K HA 0.268 4.588 4.320 -0.001 0.000 0.251 391 K C 0.668 177.302 176.600 0.056 0.000 0.934 391 K CA -0.655 55.645 56.287 0.022 0.000 0.802 391 K CB 2.677 35.159 32.500 -0.030 0.000 1.171 391 K HN -0.366 nan 8.250 nan 0.000 0.426 392 K N 0.799 121.193 120.400 -0.010 0.000 2.025 392 K HA -0.032 4.287 4.320 -0.001 0.000 0.207 392 K C -0.113 176.505 176.600 0.030 0.000 1.049 392 K CA 1.513 57.798 56.287 -0.003 0.000 0.933 392 K CB 0.142 32.622 32.500 -0.034 0.000 0.714 392 K HN 0.525 nan 8.250 nan 0.000 0.438 393 D N 0.032 120.396 120.400 -0.060 0.000 2.304 393 D HA 0.088 4.727 4.640 -0.001 0.000 0.250 393 D C -0.199 175.898 176.300 -0.338 0.000 1.107 393 D CA -0.199 53.708 54.000 -0.156 0.000 0.885 393 D CB 0.976 41.699 40.800 -0.128 0.000 1.192 393 D HN 0.332 nan 8.370 nan 0.000 0.436 394 c N 0.189 118.425 118.600 -0.606 0.000 2.399 394 c HA 0.831 5.401 4.570 -0.001 0.000 0.348 394 c C 0.485 174.195 174.090 -0.633 0.000 1.183 394 c CA -0.868 54.901 56.329 -0.932 0.000 2.023 394 c CB 0.875 42.193 42.510 -1.986 0.000 2.361 394 c HN 0.630 nan 8.230 nan 0.000 0.521 395 T N -0.373 113.895 114.554 -0.477 0.000 2.795 395 T HA 0.577 4.927 4.350 -0.001 0.000 0.282 395 T C -0.728 173.773 174.700 -0.333 0.000 0.980 395 T CA -0.232 61.706 62.100 -0.269 0.000 1.012 395 T CB 0.383 69.220 68.868 -0.051 0.000 0.936 395 T HN 0.515 nan 8.240 nan 0.000 0.457 396 F N 2.946 122.778 119.950 -0.198 0.000 2.456 396 F HA 0.317 4.843 4.527 -0.001 0.000 0.358 396 F C 1.563 177.197 175.800 -0.277 0.000 1.095 396 F CA -1.084 56.784 58.000 -0.220 0.000 1.216 396 F CB 0.706 39.580 39.000 -0.209 0.000 1.125 396 F HN 0.686 nan 8.300 nan 0.000 0.549 397 I N -0.769 119.697 120.570 -0.174 0.000 4.070 397 I HA 0.225 4.394 4.170 -0.001 0.000 0.328 397 I C 0.288 176.244 176.117 -0.268 0.000 1.298 397 I CA 0.084 61.095 61.300 -0.481 0.000 1.173 397 I CB 0.145 37.566 38.000 -0.964 0.000 1.051 397 I HN 0.481 nan 8.210 nan 0.000 0.409 398 T N -0.819 113.625 114.554 -0.185 0.000 2.908 398 T HA 0.659 5.008 4.350 -0.001 0.000 0.290 398 T C -0.609 173.738 174.700 -0.589 0.000 1.034 398 T CA -0.676 61.292 62.100 -0.220 0.000 1.010 398 T CB 2.852 71.648 68.868 -0.121 0.000 1.068 398 T HN 0.041 nan 8.240 nan 0.000 0.481 399 K N -0.037 119.903 120.400 -0.767 0.000 2.536 399 K HA 0.796 5.116 4.320 -0.001 0.000 0.269 399 K C -0.253 175.780 176.600 -0.946 0.000 0.965 399 K CA 0.218 55.863 56.287 -1.071 0.000 0.860 399 K CB 1.746 33.946 32.500 -0.500 0.000 1.423 399 K HN 1.498 nan 8.250 nan 0.000 0.438 400 G N -0.137 108.117 108.800 -0.909 0.000 2.347 400 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.477 400 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.477 400 G C -0.918 173.498 174.900 -0.807 0.000 1.349 400 G CA -0.149 44.599 45.100 -0.586 0.000 1.000 400 G HN 0.661 nan 8.290 nan 0.000 0.605 401 T N -0.319 113.874 114.554 -0.601 0.000 3.945 401 T HA 0.586 4.935 4.350 -0.001 0.000 0.306 401 T C 0.181 174.623 174.700 -0.430 0.000 1.475 401 T CA 0.653 62.152 62.100 -1.002 0.000 1.177 401 T CB -0.916 67.605 68.868 -0.578 0.000 1.272 401 T HN 1.763 nan 8.240 nan 0.000 0.930 402 W N -0.115 120.913 121.300 -0.454 0.000 2.900 402 W HA 0.538 5.198 4.660 -0.001 0.000 0.382 402 W C -1.792 174.631 176.519 -0.160 0.000 1.108 402 W CA -0.904 56.340 57.345 -0.168 0.000 1.132 402 W CB 0.437 29.825 29.460 -0.120 0.000 1.474 402 W HN 0.271 nan 8.180 nan 0.000 0.566 403 E N 0.939 121.271 120.200 0.220 0.000 2.317 403 E HA 0.452 4.801 4.350 -0.001 0.000 0.270 403 E C -0.983 175.697 176.600 0.133 0.000 0.885 403 E CA -1.148 55.197 56.400 -0.093 0.000 0.760 403 E CB 3.394 33.104 29.700 0.016 0.000 1.227 403 E HN 0.193 nan 8.360 nan 0.000 0.434 404 V N 3.686 123.543 119.914 -0.095 0.000 2.555 404 V HA 0.003 4.122 4.120 -0.001 0.000 0.286 404 V C 1.184 177.360 176.094 0.137 0.000 1.044 404 V CA 0.018 62.373 62.300 0.091 0.000 1.026 404 V CB 0.527 32.311 31.823 -0.066 0.000 0.981 404 V HN 0.693 nan 8.190 nan 0.000 0.480 405 I N 2.721 123.411 120.570 0.199 0.000 2.585 405 I HA 0.310 4.480 4.170 -0.001 0.000 0.254 405 I C 1.084 177.323 176.117 0.203 0.000 1.129 405 I CA 1.097 62.516 61.300 0.198 0.000 1.455 405 I CB -0.677 37.393 38.000 0.116 0.000 1.111 405 I HN 0.784 nan 8.210 nan 0.000 0.433 406 G N 0.723 109.640 108.800 0.197 0.000 2.519 406 G HA2 0.504 4.464 3.960 -0.001 0.000 0.292 406 G HA3 0.504 4.464 3.960 -0.001 0.000 0.292 406 G C -1.382 173.617 174.900 0.164 0.000 1.507 406 G CA -0.615 44.598 45.100 0.188 0.000 0.806 406 G HN -0.051 nan 8.290 nan 0.000 0.523 407 I N 1.549 122.156 120.570 0.062 0.000 2.325 407 I HA 0.280 4.450 4.170 -0.001 0.000 0.291 407 I C 0.828 176.906 176.117 -0.067 0.000 1.019 407 I CA -0.566 60.667 61.300 -0.112 0.000 1.302 407 I CB 1.718 39.382 38.000 -0.560 0.000 1.401 407 I HN 0.486 nan 8.210 nan 0.000 0.485 408 E N 4.761 124.993 120.200 0.053 0.000 2.162 408 E HA 0.305 4.655 4.350 -0.001 0.000 0.193 408 E C 0.217 176.813 176.600 -0.006 0.000 0.953 408 E CA 0.352 56.842 56.400 0.150 0.000 0.849 408 E CB 0.537 30.442 29.700 0.341 0.000 0.810 408 E HN 0.670 nan 8.360 nan 0.000 0.470 409 A N 0.661 123.348 122.820 -0.222 0.000 2.574 409 A HA 0.601 4.921 4.320 -0.001 0.000 0.297 409 A C -1.821 175.679 177.584 -0.141 0.000 1.062 409 A CA -0.621 51.179 52.037 -0.395 0.000 0.686 409 A CB 1.400 19.595 19.000 -1.343 0.000 1.285 409 A HN 0.058 nan 8.150 nan 0.000 0.403 410 L N 1.860 123.053 121.223 -0.050 0.000 2.376 410 L HA 0.785 5.125 4.340 -0.001 0.000 0.275 410 L C 0.300 177.207 176.870 0.061 0.000 0.987 410 L CA 0.370 55.224 54.840 0.024 0.000 0.828 410 L CB 1.830 43.943 42.059 0.090 0.000 1.249 410 L HN 1.070 nan 8.230 nan 0.000 0.409 411 T N -0.113 114.494 114.554 0.089 0.000 2.870 411 T HA 0.334 4.683 4.350 -0.001 0.000 0.277 411 T C 0.906 175.655 174.700 0.082 0.000 1.000 411 T CA 0.108 62.269 62.100 0.102 0.000 0.982 411 T CB 1.229 70.197 68.868 0.166 0.000 1.249 411 T HN 0.502 nan 8.240 nan 0.000 0.589 412 S N -0.591 115.153 115.700 0.073 0.000 2.481 412 S HA -0.056 4.414 4.470 -0.001 0.000 0.231 412 S C 0.629 175.218 174.600 -0.020 0.000 0.996 412 S CA 1.615 59.843 58.200 0.047 0.000 0.942 412 S CB -0.870 62.359 63.200 0.048 0.000 0.768 412 S HN 0.743 nan 8.310 nan 0.000 0.520 413 D N -1.622 118.747 120.400 -0.052 0.000 2.531 413 D HA 0.257 4.896 4.640 -0.001 0.000 0.263 413 D C -0.446 175.517 176.300 -0.561 0.000 1.057 413 D CA 0.301 54.129 54.000 -0.286 0.000 0.909 413 D CB 0.265 40.912 40.800 -0.255 0.000 1.236 413 D HN 0.421 nan 8.370 nan 0.000 0.494 414 Y N -0.042 120.213 120.300 -0.076 0.000 2.576 414 Y HA 0.520 5.070 4.550 -0.001 0.000 0.346 414 Y C -1.073 174.680 175.900 -0.244 0.000 1.018 414 Y CA -1.557 56.418 58.100 -0.209 0.000 1.050 414 Y CB 1.999 40.236 38.460 -0.373 0.000 1.280 414 Y HN -0.220 nan 8.280 nan 0.000 0.474 415 L N 2.305 123.430 121.223 -0.163 0.000 2.341 415 L HA 0.562 4.901 4.340 -0.001 0.000 0.278 415 L C -1.989 174.744 176.870 -0.228 0.000 1.005 415 L CA -1.439 53.282 54.840 -0.198 0.000 0.818 415 L CB 0.369 42.224 42.059 -0.341 0.000 1.259 415 L HN 0.510 nan 8.230 nan 0.000 0.418 416 Y N 5.926 126.171 120.300 -0.093 0.000 2.328 416 Y HA 0.582 5.131 4.550 -0.001 0.000 0.337 416 Y C -0.390 175.537 175.900 0.044 0.000 1.008 416 Y CA -0.133 57.921 58.100 -0.076 0.000 1.129 416 Y CB 1.216 39.553 38.460 -0.205 0.000 1.185 416 Y HN 0.658 nan 8.280 nan 0.000 0.476 417 Y N 0.495 120.863 120.300 0.113 0.000 2.644 417 Y HA 0.843 5.393 4.550 -0.001 0.000 0.338 417 Y C -1.697 174.297 175.900 0.157 0.000 1.119 417 Y CA -2.030 56.130 58.100 0.100 0.000 1.060 417 Y CB 1.244 39.733 38.460 0.048 0.000 1.294 417 Y HN 0.407 nan 8.280 nan 0.000 0.472 418 I N 2.685 123.446 120.570 0.317 0.000 2.474 418 I HA 0.649 4.818 4.170 -0.001 0.000 0.294 418 I C -0.502 175.814 176.117 0.332 0.000 1.005 418 I CA -0.460 60.969 61.300 0.214 0.000 1.113 418 I CB 2.086 40.158 38.000 0.120 0.000 1.289 418 I HN 0.897 nan 8.210 nan 0.000 0.436 419 S N 3.142 119.004 115.700 0.271 0.000 2.656 419 S HA 0.414 4.883 4.470 -0.001 0.000 0.273 419 S C -0.780 173.889 174.600 0.115 0.000 1.168 419 S CA -0.864 57.487 58.200 0.252 0.000 0.817 419 S CB 1.675 65.082 63.200 0.344 0.000 1.146 419 S HN 0.641 nan 8.310 nan 0.000 0.475 420 N N -0.316 118.445 118.700 0.101 0.000 2.458 420 N HA 0.173 4.912 4.740 -0.001 0.000 0.274 420 N C 0.435 175.913 175.510 -0.052 0.000 1.242 420 N CA -0.339 52.717 53.050 0.010 0.000 0.904 420 N CB 0.411 38.889 38.487 -0.015 0.000 1.206 420 N HN 0.811 nan 8.380 nan 0.000 0.510 421 E N -0.045 119.992 120.200 -0.273 0.000 2.152 421 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 421 E C -0.413 176.027 176.600 -0.268 0.000 0.983 421 E CA 0.063 56.066 56.400 -0.662 0.000 0.818 421 E CB -0.043 28.643 29.700 -1.690 0.000 0.758 421 E HN 0.533 nan 8.360 nan 0.000 0.467 422 Y N 2.215 122.407 120.300 -0.180 0.000 2.745 422 Y HA -0.121 4.429 4.550 -0.001 0.000 0.335 422 Y C 0.128 175.973 175.900 -0.092 0.000 1.212 422 Y CA 0.622 58.662 58.100 -0.100 0.000 1.535 422 Y CB 0.142 38.567 38.460 -0.058 0.000 1.220 422 Y HN 0.037 nan 8.280 nan 0.000 0.531 423 K N 3.772 123.853 120.400 -0.531 0.000 3.209 423 K HA -0.230 4.089 4.320 -0.001 0.000 0.289 423 K C 0.763 177.252 176.600 -0.186 0.000 1.191 423 K CA 0.697 56.728 56.287 -0.427 0.000 0.851 423 K CB -1.954 30.227 32.500 -0.531 0.000 1.242 423 K HN 1.240 nan 8.250 nan 0.000 0.480 424 G N 0.886 109.595 108.800 -0.152 0.000 2.258 424 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.274 424 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.274 424 G C 0.087 174.915 174.900 -0.121 0.000 1.021 424 G CA 0.927 45.977 45.100 -0.083 0.000 0.798 424 G HN 0.367 nan 8.290 nan 0.000 0.507 425 M N -0.089 119.385 119.600 -0.209 0.000 2.111 425 M HA 0.227 4.706 4.480 -0.001 0.000 0.351 425 M C -1.340 174.694 176.300 -0.445 0.000 1.214 425 M CA -1.947 53.091 55.300 -0.437 0.000 1.120 425 M CB 1.554 33.979 32.600 -0.292 0.000 1.443 425 M HN -0.154 nan 8.290 nan 0.000 0.429 426 P HA -0.105 nan 4.420 nan 0.000 0.221 426 P C 1.091 178.237 177.300 -0.257 0.000 1.145 426 P CA 1.037 63.918 63.100 -0.366 0.000 0.795 426 P CB 0.234 31.663 31.700 -0.451 0.000 0.775 427 G N -1.388 107.216 108.800 -0.326 0.000 3.502 427 G HA2 0.333 4.293 3.960 -0.001 0.000 0.267 427 G HA3 0.333 4.293 3.960 -0.001 0.000 0.267 427 G C 0.564 175.465 174.900 0.002 0.000 1.090 427 G CA -0.011 45.026 45.100 -0.106 0.000 0.795 427 G HN 0.345 nan 8.290 nan 0.000 0.535 428 G N -0.022 108.723 108.800 -0.092 0.000 2.462 428 G HA2 0.641 4.600 3.960 -0.001 0.000 0.319 428 G HA3 0.641 4.600 3.960 -0.001 0.000 0.319 428 G C -0.771 174.001 174.900 -0.212 0.000 1.171 428 G CA -0.713 44.349 45.100 -0.062 0.000 0.920 428 G HN 0.096 nan 8.290 nan 0.000 0.499 429 R N 0.478 120.811 120.500 -0.278 0.000 2.510 429 R HA 0.314 4.653 4.340 -0.001 0.000 0.287 429 R C -1.400 174.838 176.300 -0.102 0.000 1.084 429 R CA -0.726 55.182 56.100 -0.321 0.000 0.934 429 R CB 1.751 31.587 30.300 -0.773 0.000 1.201 429 R HN 0.697 nan 8.270 nan 0.000 0.431 430 N N 0.786 119.457 118.700 -0.050 0.000 2.284 430 N HA 0.434 5.174 4.740 -0.001 0.000 0.289 430 N C -1.415 173.960 175.510 -0.225 0.000 1.179 430 N CA -0.792 52.155 53.050 -0.172 0.000 0.774 430 N CB 2.192 40.482 38.487 -0.328 0.000 1.548 430 N HN 0.241 nan 8.380 nan 0.000 0.473 431 L N 2.403 123.361 121.223 -0.441 0.000 2.292 431 L HA 0.484 4.824 4.340 -0.001 0.000 0.284 431 L C -1.548 174.958 176.870 -0.607 0.000 1.065 431 L CA 0.054 54.661 54.840 -0.389 0.000 0.806 431 L CB -0.127 41.701 42.059 -0.386 0.000 1.175 431 L HN 0.516 nan 8.230 nan 0.000 0.431 432 Y N 3.669 123.627 120.300 -0.570 0.000 2.562 432 Y HA 0.539 5.088 4.550 -0.001 0.000 0.343 432 Y C -0.224 175.343 175.900 -0.555 0.000 1.025 432 Y CA -0.811 56.892 58.100 -0.661 0.000 1.082 432 Y CB 1.710 39.527 38.460 -1.071 0.000 1.264 432 Y HN 0.421 nan 8.280 nan 0.000 0.478 433 K N 2.867 123.108 120.400 -0.265 0.000 2.376 433 K HA 0.554 4.874 4.320 -0.001 0.000 0.257 433 K C -1.848 174.695 176.600 -0.095 0.000 0.939 433 K CA -0.608 55.448 56.287 -0.385 0.000 0.809 433 K CB 1.593 33.808 32.500 -0.476 0.000 1.121 433 K HN 0.799 nan 8.250 nan 0.000 0.425 434 I N 3.378 123.948 120.570 -0.001 0.000 2.406 434 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 434 I C -0.429 175.779 176.117 0.152 0.000 0.999 434 I CA -0.573 60.813 61.300 0.144 0.000 1.124 434 I CB 1.666 39.793 38.000 0.212 0.000 1.289 434 I HN 0.649 nan 8.210 nan 0.000 0.441 435 Q N 5.671 125.569 119.800 0.163 0.000 2.281 435 Q HA 0.087 4.426 4.340 -0.001 0.000 0.267 435 Q C 0.367 176.329 176.000 -0.063 0.000 1.053 435 Q CA -0.439 55.353 55.803 -0.018 0.000 0.905 435 Q CB 1.162 29.905 28.738 0.008 0.000 1.195 435 Q HN 0.738 nan 8.270 nan 0.000 0.398 436 L N 3.045 124.157 121.223 -0.185 0.000 2.191 436 L HA -0.158 4.182 4.340 -0.001 0.000 0.212 436 L C 2.062 178.813 176.870 -0.198 0.000 1.103 436 L CA 1.743 56.531 54.840 -0.086 0.000 0.769 436 L CB -0.663 41.323 42.059 -0.121 0.000 0.908 436 L HN 0.668 nan 8.230 nan 0.000 0.438 437 S N -2.921 112.623 115.700 -0.260 0.000 2.556 437 S HA 0.119 4.588 4.470 -0.001 0.000 0.216 437 S C 0.371 174.759 174.600 -0.354 0.000 0.970 437 S CA -0.223 57.802 58.200 -0.292 0.000 0.912 437 S CB 0.181 63.262 63.200 -0.198 0.000 0.790 437 S HN 0.355 nan 8.310 nan 0.000 0.504 438 D N -0.037 120.153 120.400 -0.351 0.000 2.318 438 D HA 0.197 4.837 4.640 -0.001 0.000 0.233 438 D C -0.531 175.693 176.300 -0.126 0.000 1.348 438 D CA -0.507 53.330 54.000 -0.272 0.000 0.983 438 D CB 0.154 40.873 40.800 -0.136 0.000 1.416 438 D HN -0.032 nan 8.370 nan 0.000 0.558 439 Y N 1.166 121.445 120.300 -0.036 0.000 2.574 439 Y HA -0.033 4.517 4.550 -0.000 0.000 0.294 439 Y C 2.313 178.217 175.900 0.006 0.000 1.142 439 Y CA 0.980 59.068 58.100 -0.021 0.000 1.314 439 Y CB -0.477 37.967 38.460 -0.027 0.000 0.991 439 Y HN 0.330 nan 8.280 nan 0.000 0.555 440 T N -1.431 113.199 114.554 0.126 0.000 3.088 440 T HA -0.046 4.304 4.350 -0.001 0.000 0.259 440 T C 0.956 175.704 174.700 0.081 0.000 1.122 440 T CA 0.245 62.399 62.100 0.090 0.000 1.095 440 T CB -0.041 68.857 68.868 0.050 0.000 0.930 440 T HN -0.064 nan 8.240 nan 0.000 0.508 441 K N 2.741 123.188 120.400 0.080 0.000 2.150 441 K HA 0.356 4.676 4.320 -0.001 0.000 0.261 441 K C -1.377 175.289 176.600 0.109 0.000 1.127 441 K CA -0.190 56.145 56.287 0.078 0.000 0.989 441 K CB -0.153 32.386 32.500 0.064 0.000 1.475 441 K HN -0.021 nan 8.250 nan 0.000 0.391 442 V N 3.690 123.668 119.914 0.106 0.000 2.409 442 V HA 0.373 4.492 4.120 -0.001 0.000 0.291 442 V C -0.322 175.824 176.094 0.088 0.000 1.020 442 V CA -0.833 61.542 62.300 0.126 0.000 0.848 442 V CB 1.774 33.697 31.823 0.166 0.000 0.990 442 V HN 0.664 nan 8.190 nan 0.000 0.430 443 T N 3.099 117.672 114.554 0.031 0.000 2.824 443 T HA 0.295 4.644 4.350 -0.001 0.000 0.280 443 T C -0.325 174.292 174.700 -0.139 0.000 0.995 443 T CA -0.345 61.726 62.100 -0.050 0.000 1.009 443 T CB 1.503 70.307 68.868 -0.107 0.000 0.955 443 T HN 0.710 nan 8.240 nan 0.000 0.452 444 C N 4.433 123.581 119.300 -0.254 0.000 2.303 444 C HA 0.429 4.888 4.460 -0.001 0.000 0.341 444 C C 1.607 176.293 174.990 -0.506 0.000 1.244 444 C CA -0.592 58.048 59.018 -0.629 0.000 1.765 444 C CB -1.868 25.456 27.740 -0.694 0.000 2.379 444 C HN 0.972 nan 8.230 nan 0.000 0.530 445 L N 4.416 125.308 121.223 -0.552 0.000 2.529 445 L HA 0.090 4.430 4.340 -0.001 0.000 0.223 445 L C 2.078 178.651 176.870 -0.494 0.000 1.113 445 L CA 0.829 55.424 54.840 -0.409 0.000 0.861 445 L CB -0.178 41.685 42.059 -0.327 0.000 1.012 445 L HN 0.861 nan 8.230 nan 0.000 0.461 446 S N -3.407 111.887 115.700 -0.677 0.000 2.649 446 S HA 0.002 4.472 4.470 -0.001 0.000 0.246 446 S C 1.794 175.999 174.600 -0.658 0.000 1.057 446 S CA -0.163 57.523 58.200 -0.857 0.000 1.051 446 S CB -0.271 62.032 63.200 -1.494 0.000 1.018 446 S HN 0.265 nan 8.310 nan 0.000 0.569 447 C N 2.259 121.165 119.300 -0.656 0.000 2.367 447 C HA -0.065 4.395 4.460 -0.001 0.000 0.276 447 C C 2.300 177.011 174.990 -0.466 0.000 1.195 447 C CA 1.691 60.264 59.018 -0.742 0.000 1.756 447 C CB -1.085 26.087 27.740 -0.946 0.000 2.046 447 C HN 0.693 nan 8.230 nan 0.000 0.453 448 E N -0.145 119.862 120.200 -0.322 0.000 2.444 448 E HA 0.187 4.537 4.350 -0.001 0.000 0.191 448 E C 1.664 178.209 176.600 -0.092 0.000 1.041 448 E CA -0.170 56.134 56.400 -0.160 0.000 0.883 448 E CB -0.040 29.588 29.700 -0.120 0.000 1.024 448 E HN 0.569 nan 8.360 nan 0.000 0.470 449 L N 0.337 121.505 121.223 -0.092 0.000 2.141 449 L HA -0.020 4.320 4.340 -0.001 0.000 0.209 449 L C 0.898 177.779 176.870 0.019 0.000 1.094 449 L CA 0.728 55.554 54.840 -0.022 0.000 0.763 449 L CB 0.108 42.168 42.059 0.002 0.000 0.908 449 L HN 0.154 nan 8.230 nan 0.000 0.437 450 N N -1.338 117.383 118.700 0.036 0.000 3.304 450 N HA 0.058 4.798 4.740 -0.001 0.000 0.187 450 N C -2.272 173.256 175.510 0.030 0.000 1.482 450 N CA -0.616 52.449 53.050 0.025 0.000 0.785 450 N CB 0.891 39.388 38.487 0.018 0.000 1.619 450 N HN -0.207 nan 8.380 nan 0.000 0.624 451 P HA -0.066 nan 4.420 nan 0.000 0.220 451 P C 0.727 178.063 177.300 0.060 0.000 1.148 451 P CA 1.117 64.255 63.100 0.063 0.000 0.803 451 P CB 0.783 32.533 31.700 0.084 0.000 0.782 452 E N 0.212 120.431 120.200 0.030 0.000 2.046 452 E HA -0.147 4.203 4.350 -0.001 0.000 0.190 452 E C 2.211 178.808 176.600 -0.006 0.000 0.982 452 E CA 1.035 57.444 56.400 0.015 0.000 0.800 452 E CB -0.264 29.437 29.700 0.002 0.000 0.756 452 E HN 0.270 nan 8.360 nan 0.000 0.449 453 R N -0.500 119.984 120.500 -0.027 0.000 2.280 453 R HA 0.179 4.518 4.340 -0.001 0.000 0.195 453 R C -0.212 176.034 176.300 -0.090 0.000 0.935 453 R CA 0.301 56.362 56.100 -0.064 0.000 1.033 453 R CB 0.246 30.494 30.300 -0.087 0.000 0.964 453 R HN -0.032 nan 8.270 nan 0.000 0.489 454 c N 1.001 119.558 118.600 -0.072 0.000 2.383 454 c HA 0.436 5.005 4.570 -0.001 0.000 0.330 454 c C -0.168 173.883 174.090 -0.064 0.000 1.168 454 c CA -0.547 55.682 56.329 -0.167 0.000 1.374 454 c CB 1.398 43.771 42.510 -0.228 0.000 2.014 454 c HN 0.620 nan 8.230 nan 0.000 0.439 455 Q N 0.452 120.207 119.800 -0.074 0.000 2.040 455 Q HA 0.186 4.526 4.340 -0.001 0.000 0.212 455 Q C -0.950 175.084 176.000 0.057 0.000 0.766 455 Q CA 0.094 55.932 55.803 0.058 0.000 0.967 455 Q CB 1.272 30.069 28.738 0.098 0.000 1.202 455 Q HN 0.782 nan 8.270 nan 0.000 0.446 456 Y N 0.576 120.762 120.300 -0.190 0.000 2.526 456 Y HA 0.391 4.941 4.550 -0.000 0.000 0.328 456 Y C -1.614 174.143 175.900 -0.238 0.000 0.995 456 Y CA -0.969 57.049 58.100 -0.138 0.000 1.304 456 Y CB 0.606 39.002 38.460 -0.107 0.000 1.096 456 Y HN -0.081 nan 8.280 nan 0.000 0.499 457 Y N 2.371 122.585 120.300 -0.143 0.000 2.409 457 Y HA 0.594 5.143 4.550 -0.000 0.000 0.339 457 Y C 0.271 176.114 175.900 -0.094 0.000 1.033 457 Y CA -0.528 57.513 58.100 -0.098 0.000 1.094 457 Y CB 2.090 40.459 38.460 -0.152 0.000 1.210 457 Y HN 0.518 nan 8.280 nan 0.000 0.456 458 S N 1.506 117.295 115.700 0.148 0.000 2.671 458 S HA 0.880 5.350 4.470 -0.001 0.000 0.299 458 S C -1.438 173.224 174.600 0.104 0.000 1.116 458 S CA -0.758 57.512 58.200 0.117 0.000 0.912 458 S CB 1.897 65.182 63.200 0.142 0.000 1.130 458 S HN 0.573 nan 8.310 nan 0.000 0.501 459 V N 0.254 120.216 119.914 0.081 0.000 3.102 459 V HA 0.905 5.025 4.120 -0.001 0.000 0.312 459 V C -1.223 174.915 176.094 0.073 0.000 1.135 459 V CA -0.182 62.119 62.300 0.002 0.000 1.022 459 V CB 2.309 34.031 31.823 -0.169 0.000 1.056 459 V HN 1.302 nan 8.190 nan 0.000 0.436 460 S N 3.995 119.720 115.700 0.042 0.000 2.737 460 S HA 0.605 5.075 4.470 -0.001 0.000 0.269 460 S C -1.290 173.460 174.600 0.250 0.000 1.150 460 S CA -0.444 57.903 58.200 0.245 0.000 1.077 460 S CB 0.369 63.777 63.200 0.347 0.000 1.075 460 S HN 0.499 nan 8.310 nan 0.000 0.476 461 F N 3.112 123.153 119.950 0.151 0.000 2.371 461 F HA 0.496 5.023 4.527 -0.001 0.000 0.329 461 F C 1.436 176.867 175.800 -0.616 0.000 1.107 461 F CA -0.293 57.630 58.000 -0.127 0.000 1.137 461 F CB 1.301 40.195 39.000 -0.177 0.000 1.214 461 F HN 0.647 nan 8.300 nan 0.000 0.536 462 S N 1.538 116.631 115.700 -1.011 0.000 2.593 462 S HA 0.138 4.607 4.470 -0.001 0.000 0.269 462 S C 1.311 175.702 174.600 -0.348 0.000 1.334 462 S CA -0.731 56.685 58.200 -1.307 0.000 1.015 462 S CB 0.974 63.432 63.200 -1.236 0.000 0.912 462 S HN 0.812 nan 8.310 nan 0.000 0.541 463 K N 0.539 120.870 120.400 -0.115 0.000 2.159 463 K HA -0.268 4.051 4.320 -0.001 0.000 0.217 463 K C 0.639 177.248 176.600 0.015 0.000 1.048 463 K CA 2.466 58.772 56.287 0.032 0.000 0.941 463 K CB -0.222 32.335 32.500 0.095 0.000 0.738 463 K HN 0.757 nan 8.250 nan 0.000 0.469 464 E N -1.867 118.322 120.200 -0.018 0.000 2.685 464 E HA 0.309 4.659 4.350 -0.001 0.000 0.208 464 E C -0.669 175.896 176.600 -0.058 0.000 0.996 464 E CA 0.573 56.964 56.400 -0.015 0.000 1.054 464 E CB 1.150 30.854 29.700 0.007 0.000 1.075 464 E HN 0.383 nan 8.360 nan 0.000 0.460 465 A N 0.633 123.401 122.820 -0.088 0.000 2.822 465 A HA -0.319 4.001 4.320 -0.001 0.000 0.287 465 A C 1.654 179.212 177.584 -0.045 0.000 1.479 465 A CA 1.300 53.292 52.037 -0.075 0.000 0.779 465 A CB -1.418 17.384 19.000 -0.330 0.000 1.022 465 A HN 0.192 nan 8.150 nan 0.000 0.532 466 K N -1.587 118.733 120.400 -0.132 0.000 2.098 466 K HA 0.084 4.403 4.320 -0.001 0.000 0.203 466 K C 0.127 176.426 176.600 -0.501 0.000 1.051 466 K CA 1.486 57.586 56.287 -0.310 0.000 0.957 466 K CB 0.062 32.345 32.500 -0.362 0.000 0.738 466 K HN 0.711 nan 8.250 nan 0.000 0.447 467 Y N -0.784 119.458 120.300 -0.096 0.000 2.570 467 Y HA 0.284 4.833 4.550 -0.001 0.000 0.345 467 Y C -0.503 175.345 175.900 -0.086 0.000 1.014 467 Y CA -1.486 56.559 58.100 -0.093 0.000 1.063 467 Y CB 1.629 40.067 38.460 -0.037 0.000 1.272 467 Y HN -0.040 nan 8.280 nan 0.000 0.477 468 Y N -1.113 119.214 120.300 0.044 0.000 2.553 468 Y HA 0.546 5.096 4.550 -0.001 0.000 0.347 468 Y C -1.172 174.776 175.900 0.079 0.000 1.019 468 Y CA -1.556 56.442 58.100 -0.171 0.000 1.032 468 Y CB 1.530 39.421 38.460 -0.949 0.000 1.284 468 Y HN 0.560 nan 8.280 nan 0.000 0.466 469 Q N 3.330 123.276 119.800 0.243 0.000 2.325 469 Q HA 0.495 4.835 4.340 -0.001 0.000 0.262 469 Q C -1.766 174.319 176.000 0.142 0.000 0.968 469 Q CA -0.652 55.247 55.803 0.161 0.000 0.877 469 Q CB 1.282 30.086 28.738 0.109 0.000 1.253 469 Q HN 0.972 nan 8.270 nan 0.000 0.448 470 L N 4.008 125.325 121.223 0.157 0.000 2.312 470 L HA 0.483 4.823 4.340 -0.001 0.000 0.281 470 L C 0.101 177.037 176.870 0.110 0.000 1.070 470 L CA -0.297 54.625 54.840 0.136 0.000 0.805 470 L CB 1.154 43.271 42.059 0.098 0.000 1.174 470 L HN 0.540 nan 8.230 nan 0.000 0.434 471 R N 3.258 123.801 120.500 0.072 0.000 2.360 471 R HA 0.379 4.719 4.340 -0.001 0.000 0.318 471 R C -1.189 174.979 176.300 -0.220 0.000 0.950 471 R CA -0.515 55.468 56.100 -0.195 0.000 0.837 471 R CB 1.387 31.623 30.300 -0.107 0.000 1.165 471 R HN 0.733 nan 8.270 nan 0.000 0.458 472 c N 3.292 121.622 118.600 -0.450 0.000 2.295 472 c HA 0.483 5.052 4.570 -0.001 0.000 0.331 472 c C 0.661 174.528 174.090 -0.372 0.000 1.280 472 c CA -0.306 55.668 56.329 -0.591 0.000 1.746 472 c CB 1.063 43.143 42.510 -0.715 0.000 2.328 472 c HN 0.957 nan 8.230 nan 0.000 0.521 473 S N 3.034 118.614 115.700 -0.200 0.000 2.578 473 S HA 0.563 5.032 4.470 -0.001 0.000 0.231 473 S C 0.442 175.009 174.600 -0.056 0.000 0.994 473 S CA 0.415 58.559 58.200 -0.095 0.000 0.956 473 S CB 0.232 63.395 63.200 -0.061 0.000 0.870 473 S HN 1.438 nan 8.310 nan 0.000 0.494 474 G N 1.501 110.254 108.800 -0.079 0.000 2.337 474 G HA2 0.263 4.222 3.960 -0.001 0.000 0.298 474 G HA3 0.263 4.222 3.960 -0.001 0.000 0.298 474 G C -3.158 171.721 174.900 -0.035 0.000 1.335 474 G CA -0.729 44.357 45.100 -0.023 0.000 0.875 474 G HN -0.152 nan 8.290 nan 0.000 0.579 475 P HA 0.157 nan 4.420 nan 0.000 0.225 475 P C 1.447 178.738 177.300 -0.015 0.000 1.156 475 P CA 1.412 64.530 63.100 0.029 0.000 0.787 475 P CB 0.226 31.941 31.700 0.025 0.000 0.802 476 G N -0.158 108.570 108.800 -0.120 0.000 2.553 476 G HA2 0.354 4.314 3.960 -0.001 0.000 0.278 476 G HA3 0.354 4.314 3.960 -0.001 0.000 0.278 476 G C -0.576 174.054 174.900 -0.450 0.000 1.349 476 G CA -0.502 44.439 45.100 -0.264 0.000 1.037 476 G HN -0.029 nan 8.290 nan 0.000 0.508 477 L N 1.100 121.984 121.223 -0.565 0.000 2.514 477 L HA 0.173 4.512 4.340 -0.001 0.000 0.280 477 L C -1.784 174.938 176.870 -0.246 0.000 1.223 477 L CA -0.544 53.967 54.840 -0.548 0.000 0.864 477 L CB -0.072 41.767 42.059 -0.367 0.000 1.118 477 L HN 0.231 nan 8.230 nan 0.000 0.494 478 P HA 0.077 nan 4.420 nan 0.000 0.264 478 P C -0.920 176.321 177.300 -0.098 0.000 1.183 478 P CA -0.081 62.965 63.100 -0.090 0.000 0.763 478 P CB 0.569 32.317 31.700 0.080 0.000 0.807 479 L N 5.083 126.150 121.223 -0.261 0.000 2.385 479 L HA 0.495 4.834 4.340 -0.001 0.000 0.273 479 L C -1.599 175.086 176.870 -0.308 0.000 0.990 479 L CA -0.692 54.051 54.840 -0.162 0.000 0.821 479 L CB 1.034 43.017 42.059 -0.126 0.000 1.279 479 L HN 0.251 nan 8.230 nan 0.000 0.412 480 Y N 2.704 122.967 120.300 -0.061 0.000 2.331 480 Y HA 0.662 5.211 4.550 -0.001 0.000 0.334 480 Y C 0.226 176.034 175.900 -0.154 0.000 0.960 480 Y CA -0.547 57.499 58.100 -0.089 0.000 1.130 480 Y CB 2.138 40.523 38.460 -0.126 0.000 1.164 480 Y HN 0.652 nan 8.280 nan 0.000 0.458 481 T N 1.876 116.444 114.554 0.022 0.000 2.900 481 T HA 0.598 4.948 4.350 -0.001 0.000 0.295 481 T C -1.445 173.217 174.700 -0.064 0.000 1.044 481 T CA -0.896 61.171 62.100 -0.054 0.000 0.995 481 T CB 1.705 70.597 68.868 0.040 0.000 1.072 481 T HN 0.514 nan 8.240 nan 0.000 0.473 482 L N 3.106 124.182 121.223 -0.245 0.000 2.296 482 L HA 0.516 4.855 4.340 -0.001 0.000 0.286 482 L C -0.614 176.010 176.870 -0.409 0.000 1.023 482 L CA -0.559 54.155 54.840 -0.210 0.000 0.812 482 L CB 1.056 42.999 42.059 -0.193 0.000 1.223 482 L HN 0.864 nan 8.230 nan 0.000 0.421 483 H N 2.051 120.916 119.070 -0.341 0.000 2.834 483 H HA 0.271 4.826 4.556 -0.001 0.000 0.369 483 H C -0.933 174.193 175.328 -0.336 0.000 1.174 483 H CA -0.630 55.114 56.048 -0.506 0.000 1.165 483 H CB 2.547 31.640 29.762 -1.116 0.000 1.820 483 H HN 0.422 nan 8.280 nan 0.000 0.558 484 S N 0.664 116.312 115.700 -0.087 0.000 2.566 484 S HA 0.093 4.563 4.470 -0.001 0.000 0.324 484 S C 0.986 175.580 174.600 -0.010 0.000 1.081 484 S CA -0.553 57.644 58.200 -0.005 0.000 1.105 484 S CB 0.441 63.673 63.200 0.053 0.000 0.981 484 S HN 0.695 nan 8.310 nan 0.000 0.464 485 S N 3.922 119.642 115.700 0.034 0.000 2.515 485 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 485 S C 1.706 176.358 174.600 0.087 0.000 0.987 485 S CA 0.756 59.084 58.200 0.212 0.000 0.936 485 S CB -0.241 63.111 63.200 0.254 0.000 0.766 485 S HN 0.626 nan 8.310 nan 0.000 0.528 486 V N 3.019 122.932 119.914 -0.002 0.000 2.867 486 V HA -0.129 3.990 4.120 -0.001 0.000 0.260 486 V C 1.164 177.265 176.094 0.011 0.000 1.099 486 V CA 2.068 64.367 62.300 -0.001 0.000 1.122 486 V CB -0.722 31.079 31.823 -0.036 0.000 0.708 486 V HN 0.902 nan 8.190 nan 0.000 0.490 487 N N -3.491 115.219 118.700 0.017 0.000 1.850 487 N HA 0.073 4.813 4.740 -0.001 0.000 0.230 487 N C 0.271 175.794 175.510 0.023 0.000 1.419 487 N CA 0.505 53.562 53.050 0.011 0.000 0.762 487 N CB 0.186 38.678 38.487 0.008 0.000 1.047 487 N HN 0.265 nan 8.380 nan 0.000 0.503 488 D N -0.125 120.313 120.400 0.063 0.000 2.911 488 D HA -0.176 4.464 4.640 -0.001 0.000 0.199 488 D C -0.479 175.883 176.300 0.102 0.000 1.041 488 D CA 1.337 55.405 54.000 0.114 0.000 1.013 488 D CB -1.256 39.596 40.800 0.086 0.000 1.093 488 D HN 0.790 nan 8.370 nan 0.000 0.431 489 K N 0.949 121.377 120.400 0.046 0.000 2.380 489 K HA 0.401 4.721 4.320 -0.001 0.000 0.267 489 K C 0.726 177.307 176.600 -0.031 0.000 0.990 489 K CA 0.328 56.624 56.287 0.016 0.000 0.946 489 K CB 0.679 33.175 32.500 -0.007 0.000 0.937 489 K HN 0.003 nan 8.250 nan 0.000 0.491 490 G N 2.734 111.464 108.800 -0.117 0.000 2.327 490 G HA2 0.257 4.217 3.960 -0.001 0.000 0.302 490 G HA3 0.257 4.217 3.960 -0.001 0.000 0.302 490 G C 0.467 175.203 174.900 -0.273 0.000 1.113 490 G CA -0.857 44.007 45.100 -0.393 0.000 0.921 490 G HN 0.659 nan 8.290 nan 0.000 0.425 491 L N 1.632 122.683 121.223 -0.286 0.000 2.027 491 L HA 0.145 4.484 4.340 -0.001 0.000 0.206 491 L C 1.740 178.511 176.870 -0.166 0.000 1.074 491 L CA 1.268 56.006 54.840 -0.170 0.000 0.745 491 L CB -0.235 41.743 42.059 -0.136 0.000 0.898 491 L HN 0.774 nan 8.230 nan 0.000 0.433 492 R N -2.797 117.568 120.500 -0.225 0.000 2.828 492 R HA 0.344 4.683 4.340 -0.001 0.000 0.280 492 R C -1.557 174.614 176.300 -0.215 0.000 1.020 492 R CA -0.964 55.026 56.100 -0.183 0.000 0.855 492 R CB 0.887 31.106 30.300 -0.135 0.000 1.278 492 R HN -0.283 nan 8.270 nan 0.000 0.495 493 V N 2.588 122.401 119.914 -0.168 0.000 2.530 493 V HA 0.162 4.281 4.120 -0.001 0.000 0.282 493 V C 1.272 177.222 176.094 -0.239 0.000 1.048 493 V CA -0.279 61.923 62.300 -0.164 0.000 0.997 493 V CB 1.060 32.822 31.823 -0.102 0.000 0.987 493 V HN 0.635 nan 8.190 nan 0.000 0.477 494 L N 2.019 123.035 121.223 -0.345 0.000 2.316 494 L HA 0.380 4.720 4.340 -0.001 0.000 0.207 494 L C 0.628 177.216 176.870 -0.470 0.000 1.070 494 L CA 0.518 54.955 54.840 -0.672 0.000 0.820 494 L CB 0.232 41.498 42.059 -1.321 0.000 0.992 494 L HN 0.674 nan 8.230 nan 0.000 0.466 495 E N 0.092 120.172 120.200 -0.199 0.000 2.349 495 E HA 0.103 4.453 4.350 -0.001 0.000 0.290 495 E C -1.015 175.635 176.600 0.083 0.000 0.901 495 E CA -0.302 56.088 56.400 -0.016 0.000 0.800 495 E CB 1.094 30.792 29.700 -0.003 0.000 1.303 495 E HN 0.159 nan 8.360 nan 0.000 0.397 496 D N 2.972 123.398 120.400 0.043 0.000 2.407 496 D HA 0.098 4.738 4.640 -0.001 0.000 0.208 496 D C -0.270 176.049 176.300 0.031 0.000 1.083 496 D CA -0.113 53.905 54.000 0.030 0.000 0.844 496 D CB 0.031 40.828 40.800 -0.005 0.000 0.967 496 D HN 0.434 nan 8.370 nan 0.000 0.506 497 N N 0.263 118.996 118.700 0.055 0.000 2.754 497 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 497 N C 0.791 176.316 175.510 0.026 0.000 1.093 497 N CA 0.900 53.981 53.050 0.053 0.000 0.699 497 N CB -1.549 36.968 38.487 0.050 0.000 1.016 497 N HN 0.465 nan 8.380 nan 0.000 0.552 498 S N -1.334 114.380 115.700 0.024 0.000 2.428 498 S HA 0.090 4.560 4.470 -0.001 0.000 0.230 498 S C 2.098 176.718 174.600 0.034 0.000 1.014 498 S CA 0.716 58.926 58.200 0.017 0.000 0.957 498 S CB 0.036 63.243 63.200 0.012 0.000 0.784 498 S HN 0.511 nan 8.310 nan 0.000 0.499 499 A N 2.491 125.340 122.820 0.049 0.000 1.851 499 A HA -0.010 4.310 4.320 -0.001 0.000 0.216 499 A C 2.230 179.864 177.584 0.084 0.000 1.195 499 A CA 1.756 53.832 52.037 0.064 0.000 0.622 499 A CB -1.105 17.937 19.000 0.070 0.000 0.831 499 A HN 0.519 nan 8.150 nan 0.000 0.444 500 L N 0.277 121.557 121.223 0.094 0.000 2.042 500 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 500 L C 1.930 178.849 176.870 0.082 0.000 1.076 500 L CA 2.843 57.757 54.840 0.125 0.000 0.749 500 L CB -0.724 41.415 42.059 0.133 0.000 0.893 500 L HN 0.521 nan 8.230 nan 0.000 0.432 501 D N -0.942 119.477 120.400 0.032 0.000 2.178 501 D HA -0.196 4.444 4.640 -0.001 0.000 0.201 501 D C 2.022 178.330 176.300 0.014 0.000 0.980 501 D CA 1.232 55.229 54.000 -0.005 0.000 0.842 501 D CB 0.084 40.866 40.800 -0.029 0.000 0.948 501 D HN 0.323 nan 8.370 nan 0.000 0.472 502 K N -0.589 119.834 120.400 0.038 0.000 2.155 502 K HA -0.026 4.294 4.320 -0.001 0.000 0.203 502 K C 2.150 178.792 176.600 0.070 0.000 1.052 502 K CA 0.631 56.945 56.287 0.045 0.000 0.948 502 K CB -0.068 32.459 32.500 0.046 0.000 0.728 502 K HN 0.314 nan 8.250 nan 0.000 0.448 503 M N 0.333 119.997 119.600 0.108 0.000 2.156 503 M HA -0.123 4.356 4.480 -0.001 0.000 0.264 503 M C 1.739 178.102 176.300 0.106 0.000 1.067 503 M CA 1.149 56.555 55.300 0.177 0.000 1.131 503 M CB -0.136 32.656 32.600 0.321 0.000 1.368 503 M HN -0.022 nan 8.290 nan 0.000 0.416 504 L N 0.194 121.425 121.223 0.013 0.000 2.362 504 L HA -0.133 4.206 4.340 -0.001 0.000 0.219 504 L C 2.288 179.132 176.870 -0.043 0.000 1.134 504 L CA 1.594 56.376 54.840 -0.097 0.000 0.807 504 L CB -0.976 41.030 42.059 -0.089 0.000 0.927 504 L HN 0.364 nan 8.230 nan 0.000 0.447 505 Q N -0.820 118.979 119.800 -0.002 0.000 2.226 505 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 505 Q C 2.037 178.051 176.000 0.023 0.000 0.975 505 Q CA 1.322 57.130 55.803 0.008 0.000 0.866 505 Q CB -0.021 28.728 28.738 0.019 0.000 0.915 505 Q HN 0.576 nan 8.270 nan 0.000 0.440 506 N N -0.685 118.039 118.700 0.040 0.000 2.416 506 N HA -0.032 4.707 4.740 -0.001 0.000 0.177 506 N C -0.068 175.479 175.510 0.062 0.000 1.036 506 N CA 0.109 53.197 53.050 0.063 0.000 0.901 506 N CB 0.665 39.210 38.487 0.096 0.000 0.976 506 N HN 0.040 nan 8.380 nan 0.000 0.444 507 V N 1.363 121.293 119.914 0.027 0.000 2.532 507 V HA 0.231 4.350 4.120 -0.001 0.000 0.295 507 V C -0.608 175.495 176.094 0.015 0.000 1.041 507 V CA -0.686 61.632 62.300 0.030 0.000 0.926 507 V CB 1.721 33.539 31.823 -0.008 0.000 0.992 507 V HN 0.081 nan 8.190 nan 0.000 0.457 508 Q N 6.223 126.051 119.800 0.048 0.000 2.276 508 Q HA 0.273 4.613 4.340 -0.001 0.000 0.267 508 Q C -0.503 175.486 176.000 -0.019 0.000 1.135 508 Q CA 0.214 56.028 55.803 0.017 0.000 0.910 508 Q CB 0.568 29.351 28.738 0.075 0.000 1.271 508 Q HN 0.618 nan 8.270 nan 0.000 0.417 509 M N 4.458 124.017 119.600 -0.068 0.000 2.363 509 M HA 0.446 4.925 4.480 -0.001 0.000 0.343 509 M C -2.104 174.130 176.300 -0.109 0.000 1.165 509 M CA -2.696 52.554 55.300 -0.082 0.000 1.046 509 M CB 0.839 33.393 32.600 -0.076 0.000 1.648 509 M HN 0.371 nan 8.290 nan 0.000 0.452 510 P HA 0.226 nan 4.420 nan 0.000 0.274 510 P C -0.680 176.546 177.300 -0.122 0.000 1.256 510 P CA -0.257 62.763 63.100 -0.135 0.000 0.795 510 P CB 0.500 32.109 31.700 -0.150 0.000 1.038 511 S N -0.988 114.624 115.700 -0.147 0.000 2.689 511 S HA 0.591 5.060 4.470 -0.001 0.000 0.306 511 S C -0.616 173.902 174.600 -0.135 0.000 1.104 511 S CA -0.839 57.289 58.200 -0.121 0.000 0.973 511 S CB 1.850 64.975 63.200 -0.126 0.000 1.121 511 S HN 0.493 nan 8.310 nan 0.000 0.523 512 K N 0.537 120.882 120.400 -0.091 0.000 2.323 512 K HA 0.453 4.773 4.320 -0.001 0.000 0.259 512 K C -1.398 175.158 176.600 -0.074 0.000 0.947 512 K CA -0.576 55.663 56.287 -0.079 0.000 0.819 512 K CB 1.184 33.665 32.500 -0.032 0.000 1.109 512 K HN 0.576 nan 8.250 nan 0.000 0.429 513 K N 4.622 124.968 120.400 -0.089 0.000 2.213 513 K HA 0.317 4.637 4.320 -0.001 0.000 0.270 513 K C -1.326 175.254 176.600 -0.034 0.000 1.002 513 K CA -0.480 55.770 56.287 -0.062 0.000 0.868 513 K CB 0.924 33.379 32.500 -0.076 0.000 1.093 513 K HN 0.562 nan 8.250 nan 0.000 0.454 514 L N 4.229 125.439 121.223 -0.021 0.000 2.319 514 L HA 0.475 4.815 4.340 -0.001 0.000 0.281 514 L C -1.132 175.719 176.870 -0.031 0.000 1.005 514 L CA -0.219 54.624 54.840 0.004 0.000 0.828 514 L CB 1.234 43.358 42.059 0.108 0.000 1.227 514 L HN 0.826 nan 8.230 nan 0.000 0.415 515 D N 2.865 123.044 120.400 -0.368 0.000 2.825 515 D HA 0.496 5.135 4.640 -0.001 0.000 0.327 515 D C -1.478 174.396 176.300 -0.710 0.000 1.277 515 D CA -0.044 53.689 54.000 -0.444 0.000 0.950 515 D CB 1.983 42.526 40.800 -0.429 0.000 1.438 515 D HN 0.191 nan 8.370 nan 0.000 0.526 516 F N -0.221 119.313 119.950 -0.694 0.000 2.613 516 F HA 0.731 5.258 4.527 -0.001 0.000 0.314 516 F C -0.676 175.143 175.800 0.032 0.000 1.075 516 F CA -1.132 56.532 58.000 -0.561 0.000 0.945 516 F CB 0.857 39.011 39.000 -1.411 0.000 1.310 516 F HN 0.279 nan 8.300 nan 0.000 0.467 517 I N 0.492 121.279 120.570 0.362 0.000 2.797 517 I HA 0.631 4.801 4.170 -0.001 0.000 0.307 517 I C -1.107 175.223 176.117 0.356 0.000 1.033 517 I CA -1.165 60.306 61.300 0.284 0.000 1.071 517 I CB 2.019 40.194 38.000 0.292 0.000 1.255 517 I HN 0.465 nan 8.210 nan 0.000 0.445 518 I N 4.703 125.424 120.570 0.250 0.000 2.353 518 I HA 0.443 4.613 4.170 -0.001 0.000 0.293 518 I C -0.673 175.582 176.117 0.230 0.000 0.992 518 I CA -0.422 61.017 61.300 0.233 0.000 1.268 518 I CB 1.392 39.490 38.000 0.164 0.000 1.387 518 I HN 0.444 nan 8.210 nan 0.000 0.478 519 L N 7.098 128.503 121.223 0.302 0.000 2.476 519 L HA 0.434 4.773 4.340 -0.001 0.000 0.269 519 L C -0.155 176.865 176.870 0.250 0.000 0.965 519 L CA -0.223 54.788 54.840 0.285 0.000 0.845 519 L CB 1.025 43.317 42.059 0.388 0.000 1.259 519 L HN 0.510 nan 8.230 nan 0.000 0.403 520 N N 3.452 122.233 118.700 0.135 0.000 2.714 520 N HA -0.245 4.494 4.740 -0.001 0.000 0.252 520 N C 0.075 175.631 175.510 0.076 0.000 1.014 520 N CA 1.342 54.446 53.050 0.090 0.000 0.735 520 N CB -0.807 37.726 38.487 0.078 0.000 0.924 520 N HN 0.855 nan 8.380 nan 0.000 0.540 521 E N -3.602 116.640 120.200 0.070 0.000 2.971 521 E HA -0.233 4.117 4.350 -0.001 0.000 0.278 521 E C -0.717 175.889 176.600 0.009 0.000 1.009 521 E CA 1.311 57.735 56.400 0.040 0.000 0.862 521 E CB -1.516 28.198 29.700 0.023 0.000 1.436 521 E HN 0.505 nan 8.360 nan 0.000 0.434 522 T N 0.297 114.855 114.554 0.007 0.000 2.876 522 T HA 0.391 4.740 4.350 -0.001 0.000 0.289 522 T C -0.221 174.332 174.700 -0.244 0.000 1.014 522 T CA -0.917 61.087 62.100 -0.160 0.000 0.986 522 T CB 1.702 70.410 68.868 -0.266 0.000 1.021 522 T HN -0.018 nan 8.240 nan 0.000 0.458 523 K N 1.859 122.061 120.400 -0.330 0.000 2.368 523 K HA 0.453 4.772 4.320 -0.001 0.000 0.282 523 K C -1.059 175.247 176.600 -0.490 0.000 1.035 523 K CA 0.069 56.175 56.287 -0.302 0.000 0.973 523 K CB 0.308 32.527 32.500 -0.469 0.000 0.957 523 K HN 0.385 nan 8.250 nan 0.000 0.474 524 F N 1.896 121.898 119.950 0.086 0.000 2.529 524 F HA 0.337 4.864 4.527 -0.000 0.000 0.320 524 F C -0.652 175.189 175.800 0.068 0.000 1.118 524 F CA -0.791 57.262 58.000 0.088 0.000 0.915 524 F CB 1.046 40.107 39.000 0.100 0.000 1.161 524 F HN 0.405 nan 8.300 nan 0.000 0.445 525 W N 3.722 125.128 121.300 0.176 0.000 2.376 525 W HA 0.531 5.191 4.660 -0.001 0.000 0.322 525 W C -0.619 176.037 176.519 0.229 0.000 1.160 525 W CA -0.640 56.819 57.345 0.189 0.000 1.218 525 W CB 0.735 30.250 29.460 0.092 0.000 1.205 525 W HN 0.446 nan 8.180 nan 0.000 0.559 526 Y N -0.062 120.529 120.300 0.486 0.000 2.605 526 Y HA 0.728 5.278 4.550 -0.000 0.000 0.343 526 Y C -0.780 175.327 175.900 0.344 0.000 1.036 526 Y CA -1.839 56.550 58.100 0.481 0.000 1.065 526 Y CB 1.179 40.061 38.460 0.703 0.000 1.288 526 Y HN 0.572 nan 8.280 nan 0.000 0.481 527 Q N 1.895 121.938 119.800 0.404 0.000 2.451 527 Q HA 0.769 5.109 4.340 -0.001 0.000 0.281 527 Q C -1.747 174.379 176.000 0.210 0.000 1.099 527 Q CA -1.213 54.717 55.803 0.211 0.000 0.806 527 Q CB 3.353 32.176 28.738 0.142 0.000 1.419 527 Q HN 0.867 nan 8.270 nan 0.000 0.427 528 M N 2.035 121.683 119.600 0.080 0.000 2.326 528 M HA 0.409 4.889 4.480 -0.001 0.000 0.292 528 M C -1.448 174.791 176.300 -0.102 0.000 1.081 528 M CA -0.903 54.378 55.300 -0.030 0.000 0.919 528 M CB 2.250 34.789 32.600 -0.101 0.000 1.634 528 M HN 0.604 nan 8.290 nan 0.000 0.451 529 I N 5.008 125.513 120.570 -0.108 0.000 2.301 529 I HA 0.355 4.525 4.170 -0.001 0.000 0.292 529 I C -0.429 175.550 176.117 -0.230 0.000 1.046 529 I CA -0.257 60.955 61.300 -0.147 0.000 1.282 529 I CB 0.193 38.124 38.000 -0.114 0.000 1.409 529 I HN 0.626 nan 8.210 nan 0.000 0.484 530 L N 8.439 129.477 121.223 -0.308 0.000 2.307 530 L HA 0.450 4.789 4.340 -0.001 0.000 0.284 530 L C -2.174 174.516 176.870 -0.299 0.000 1.023 530 L CA -1.818 52.748 54.840 -0.458 0.000 0.810 530 L CB 1.520 43.128 42.059 -0.752 0.000 1.231 530 L HN 0.273 nan 8.230 nan 0.000 0.423 531 P HA 0.047 nan 4.420 nan 0.000 0.267 531 P C -2.471 174.793 177.300 -0.060 0.000 1.201 531 P CA -0.760 62.277 63.100 -0.106 0.000 0.775 531 P CB -0.172 31.507 31.700 -0.035 0.000 0.854 532 P HA -0.030 nan 4.420 nan 0.000 0.267 532 P C -0.295 176.948 177.300 -0.094 0.000 1.200 532 P CA 0.699 63.686 63.100 -0.188 0.000 0.772 532 P CB -0.135 31.438 31.700 -0.212 0.000 0.855 533 H N -0.816 118.290 119.070 0.060 0.000 2.770 533 H HA -0.210 4.345 4.556 -0.001 0.000 0.309 533 H C -0.045 175.338 175.328 0.091 0.000 1.206 533 H CA -0.019 56.066 56.048 0.063 0.000 1.147 533 H CB -2.207 27.582 29.762 0.044 0.000 1.422 533 H HN 0.404 nan 8.280 nan 0.000 0.420 534 F N 2.502 122.440 119.950 -0.020 0.000 2.590 534 F HA 0.105 4.632 4.527 -0.001 0.000 0.389 534 F C 0.611 176.413 175.800 0.002 0.000 1.049 534 F CA -0.122 57.827 58.000 -0.085 0.000 1.199 534 F CB 0.461 39.294 39.000 -0.278 0.000 1.058 534 F HN 0.141 nan 8.300 nan 0.000 0.556 535 D N 6.689 126.753 120.400 -0.561 0.000 2.392 535 D HA 0.140 4.780 4.640 -0.001 0.000 0.228 535 D C 0.735 176.630 176.300 -0.676 0.000 1.074 535 D CA -0.261 53.482 54.000 -0.430 0.000 0.838 535 D CB 1.160 41.865 40.800 -0.160 0.000 1.067 535 D HN 0.647 nan 8.370 nan 0.000 0.511 536 K N 0.963 121.045 120.400 -0.529 0.000 2.211 536 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 536 K C 1.372 177.963 176.600 -0.014 0.000 1.047 536 K CA 0.999 57.138 56.287 -0.245 0.000 0.935 536 K CB 0.088 32.593 32.500 0.010 0.000 0.728 536 K HN 0.358 nan 8.250 nan 0.000 0.452 537 S N 0.298 115.960 115.700 -0.063 0.000 2.660 537 S HA 0.150 4.620 4.470 -0.001 0.000 0.227 537 S C 0.227 174.793 174.600 -0.057 0.000 0.948 537 S CA -0.257 57.927 58.200 -0.026 0.000 0.948 537 S CB 0.097 63.277 63.200 -0.034 0.000 0.779 537 S HN 0.050 nan 8.310 nan 0.000 0.487 538 K N 0.843 121.193 120.400 -0.083 0.000 2.295 538 K HA 0.468 4.787 4.320 -0.001 0.000 0.239 538 K C -0.765 175.752 176.600 -0.138 0.000 0.991 538 K CA -0.915 55.258 56.287 -0.190 0.000 0.845 538 K CB 1.086 33.354 32.500 -0.387 0.000 1.197 538 K HN -0.061 nan 8.250 nan 0.000 0.441 539 K N 2.431 122.681 120.400 -0.249 0.000 2.404 539 K HA 0.265 4.585 4.320 -0.001 0.000 0.257 539 K C -1.063 175.412 176.600 -0.208 0.000 1.026 539 K CA -0.335 55.882 56.287 -0.116 0.000 0.951 539 K CB 0.541 32.984 32.500 -0.095 0.000 1.203 539 K HN 0.459 nan 8.250 nan 0.000 0.446 540 Y N 3.071 123.397 120.300 0.043 0.000 2.352 540 Y HA 0.241 4.790 4.550 -0.001 0.000 0.326 540 Y C -1.652 174.193 175.900 -0.091 0.000 1.166 540 Y CA -2.269 55.834 58.100 0.004 0.000 1.182 540 Y CB 0.655 39.179 38.460 0.106 0.000 1.216 540 Y HN 0.411 nan 8.280 nan 0.000 0.474 541 P HA 0.090 nan 4.420 nan 0.000 0.271 541 P C -1.046 176.125 177.300 -0.216 0.000 1.216 541 P CA -0.066 62.760 63.100 -0.456 0.000 0.776 541 P CB 1.313 32.408 31.700 -1.008 0.000 0.881 542 L N 3.840 124.985 121.223 -0.129 0.000 2.365 542 L HA 0.593 4.932 4.340 -0.001 0.000 0.273 542 L C -1.281 175.774 176.870 0.309 0.000 1.000 542 L CA -1.116 53.788 54.840 0.105 0.000 0.819 542 L CB 1.792 43.925 42.059 0.124 0.000 1.284 542 L HN 0.159 nan 8.230 nan 0.000 0.418 543 L N 5.293 126.711 121.223 0.324 0.000 2.325 543 L HA 0.518 4.857 4.340 -0.001 0.000 0.281 543 L C -1.345 175.762 176.870 0.396 0.000 1.004 543 L CA -0.367 54.721 54.840 0.413 0.000 0.823 543 L CB 1.571 43.837 42.059 0.345 0.000 1.236 543 L HN 0.669 nan 8.230 nan 0.000 0.415 544 L N 5.004 126.507 121.223 0.467 0.000 2.283 544 L HA 0.363 4.703 4.340 -0.001 0.000 0.287 544 L C -0.395 176.724 176.870 0.414 0.000 1.073 544 L CA 0.317 55.421 54.840 0.440 0.000 0.822 544 L CB 0.376 42.725 42.059 0.483 0.000 1.186 544 L HN 0.618 nan 8.230 nan 0.000 0.436 545 D N 4.152 124.770 120.400 0.363 0.000 2.316 545 D HA 0.202 4.841 4.640 -0.001 0.000 0.245 545 D C -0.913 175.467 176.300 0.135 0.000 1.171 545 D CA 0.105 54.233 54.000 0.214 0.000 0.856 545 D CB 1.274 42.267 40.800 0.321 0.000 1.090 545 D HN 0.307 nan 8.370 nan 0.000 0.476 546 V N 6.047 125.959 119.914 -0.002 0.000 2.628 546 V HA 0.421 4.540 4.120 -0.001 0.000 0.306 546 V C -0.814 175.390 176.094 0.184 0.000 1.045 546 V CA -0.429 61.949 62.300 0.130 0.000 0.905 546 V CB 1.750 33.661 31.823 0.147 0.000 0.997 546 V HN 0.624 nan 8.190 nan 0.000 0.436 547 Y N 5.281 125.657 120.300 0.127 0.000 3.105 547 Y HA 0.481 5.031 4.550 -0.001 0.000 0.216 547 Y C 1.520 177.554 175.900 0.224 0.000 0.943 547 Y CA 1.210 59.410 58.100 0.166 0.000 1.535 547 Y CB -0.158 38.381 38.460 0.131 0.000 1.475 547 Y HN 1.310 nan 8.280 nan 0.000 0.435 548 A N 1.072 123.906 122.820 0.025 0.000 2.910 548 A HA -0.173 4.147 4.320 -0.001 0.000 0.267 548 A C 1.124 178.536 177.584 -0.287 0.000 1.310 548 A CA 1.250 53.262 52.037 -0.042 0.000 0.934 548 A CB -2.470 16.651 19.000 0.201 0.000 1.057 548 A HN 1.056 nan 8.150 nan 0.000 0.742 549 G N -0.433 107.901 108.800 -0.777 0.000 2.606 549 G HA2 0.476 4.436 3.960 -0.001 0.000 0.252 549 G HA3 0.476 4.436 3.960 -0.001 0.000 0.252 549 G C -1.857 172.591 174.900 -0.753 0.000 1.206 549 G CA -0.575 43.786 45.100 -1.232 0.000 0.861 549 G HN 0.386 nan 8.290 nan 0.000 0.561 550 P HA 0.002 nan 4.420 nan 0.000 0.264 550 P C 0.700 177.764 177.300 -0.394 0.000 1.193 550 P CA 0.190 62.959 63.100 -0.551 0.000 0.763 550 P CB 0.767 31.818 31.700 -1.081 0.000 0.810 551 C N 2.162 121.305 119.300 -0.261 0.000 4.417 551 C HA -0.152 4.308 4.460 -0.001 0.000 0.284 551 C C 1.109 176.015 174.990 -0.140 0.000 1.379 551 C CA 1.150 60.006 59.018 -0.270 0.000 1.918 551 C CB -2.668 24.821 27.740 -0.418 0.000 1.280 551 C HN 0.825 nan 8.230 nan 0.000 0.783 552 S N 0.029 115.582 115.700 -0.246 0.000 2.614 552 S HA 0.522 4.992 4.470 -0.001 0.000 0.265 552 S C -0.547 174.063 174.600 0.016 0.000 1.303 552 S CA 0.167 58.195 58.200 -0.286 0.000 1.000 552 S CB 1.560 64.080 63.200 -1.134 0.000 0.935 552 S HN 0.806 nan 8.310 nan 0.000 0.551 553 Q N 0.079 119.991 119.800 0.186 0.000 2.374 553 Q HA 0.319 4.659 4.340 -0.001 0.000 0.250 553 Q C -0.629 175.501 176.000 0.217 0.000 0.918 553 Q CA -0.553 55.389 55.803 0.232 0.000 0.778 553 Q CB 0.921 29.874 28.738 0.359 0.000 1.328 553 Q HN 0.701 nan 8.270 nan 0.000 0.445 554 K N 0.881 121.393 120.400 0.186 0.000 2.358 554 K HA 0.314 4.634 4.320 -0.001 0.000 0.197 554 K C -0.316 176.396 176.600 0.186 0.000 1.025 554 K CA 0.246 56.657 56.287 0.207 0.000 1.104 554 K CB 1.361 34.003 32.500 0.237 0.000 0.855 554 K HN 0.492 nan 8.250 nan 0.000 0.531 555 A N 2.791 125.719 122.820 0.181 0.000 2.277 555 A HA 0.426 4.746 4.320 -0.001 0.000 0.318 555 A C -0.882 176.773 177.584 0.118 0.000 1.339 555 A CA -0.563 51.581 52.037 0.178 0.000 0.875 555 A CB 0.235 19.389 19.000 0.258 0.000 1.158 555 A HN 0.224 nan 8.150 nan 0.000 0.514 556 D N -0.043 120.408 120.400 0.086 0.000 2.643 556 D HA 0.378 5.017 4.640 -0.001 0.000 0.283 556 D C 0.456 176.783 176.300 0.045 0.000 1.242 556 D CA 0.213 54.255 54.000 0.070 0.000 0.863 556 D CB 0.303 41.138 40.800 0.058 0.000 1.382 556 D HN 0.190 nan 8.370 nan 0.000 0.444 557 T N -2.418 112.193 114.554 0.096 0.000 3.169 557 T HA 0.234 4.584 4.350 -0.001 0.000 0.250 557 T C 0.641 175.334 174.700 -0.012 0.000 1.111 557 T CA -0.286 61.860 62.100 0.076 0.000 1.010 557 T CB -0.629 68.324 68.868 0.141 0.000 0.984 557 T HN 0.275 nan 8.240 nan 0.000 0.537 558 V N 2.471 122.276 119.914 -0.181 0.000 2.637 558 V HA 0.303 4.423 4.120 -0.001 0.000 0.296 558 V C 0.077 176.135 176.094 -0.061 0.000 1.046 558 V CA -0.897 61.253 62.300 -0.249 0.000 1.066 558 V CB 0.086 31.635 31.823 -0.457 0.000 0.968 558 V HN 0.548 nan 8.190 nan 0.000 0.483 559 F N 6.305 126.171 119.950 -0.139 0.000 2.411 559 F HA 0.592 5.118 4.527 -0.000 0.000 0.355 559 F C 0.390 176.145 175.800 -0.075 0.000 1.117 559 F CA -0.307 57.636 58.000 -0.096 0.000 1.139 559 F CB 0.347 39.297 39.000 -0.084 0.000 1.120 559 F HN 0.409 nan 8.300 nan 0.000 0.493 560 R N 6.616 126.606 120.500 -0.850 0.000 2.686 560 R HA 0.527 4.866 4.340 -0.001 0.000 0.283 560 R C -1.540 174.329 176.300 -0.717 0.000 0.978 560 R CA -1.030 54.714 56.100 -0.594 0.000 0.897 560 R CB 2.150 32.288 30.300 -0.270 0.000 1.192 560 R HN 0.684 nan 8.270 nan 0.000 0.457 561 L N 4.435 125.406 121.223 -0.421 0.000 2.313 561 L HA 0.361 4.701 4.340 -0.001 0.000 0.273 561 L C -0.489 176.363 176.870 -0.030 0.000 1.028 561 L CA -0.630 54.037 54.840 -0.288 0.000 0.871 561 L CB 0.256 42.266 42.059 -0.081 0.000 1.242 561 L HN 0.737 nan 8.230 nan 0.000 0.434 562 N N 0.092 118.702 118.700 -0.151 0.000 3.379 562 N HA 0.186 4.925 4.740 -0.001 0.000 0.350 562 N C 0.288 175.454 175.510 -0.574 0.000 1.553 562 N CA -0.858 52.029 53.050 -0.272 0.000 0.712 562 N CB 0.125 38.578 38.487 -0.058 0.000 1.880 562 N HN 0.265 nan 8.380 nan 0.000 0.648 563 W N 0.492 121.243 121.300 -0.915 0.000 2.358 563 W HA 0.181 4.840 4.660 -0.001 0.000 0.303 563 W C 2.087 178.553 176.519 -0.089 0.000 1.208 563 W CA 2.659 59.665 57.345 -0.564 0.000 1.274 563 W CB -1.008 28.300 29.460 -0.253 0.000 1.138 563 W HN 0.678 nan 8.180 nan 0.000 0.515 564 A N -0.175 122.611 122.820 -0.057 0.000 1.908 564 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 564 A C 1.970 179.446 177.584 -0.179 0.000 1.181 564 A CA 2.866 54.815 52.037 -0.147 0.000 0.627 564 A CB -1.396 17.602 19.000 -0.003 0.000 0.818 564 A HN 0.315 nan 8.150 nan 0.000 0.445 565 T N -1.174 113.283 114.554 -0.162 0.000 2.635 565 T HA -0.272 4.078 4.350 -0.001 0.000 0.267 565 T C 1.788 176.485 174.700 -0.005 0.000 1.040 565 T CA 1.861 63.836 62.100 -0.208 0.000 1.156 565 T CB -0.634 67.928 68.868 -0.509 0.000 0.863 565 T HN 0.693 nan 8.240 nan 0.000 0.430 566 Y N 1.878 122.252 120.300 0.122 0.000 2.165 566 Y HA -0.102 4.448 4.550 -0.001 0.000 0.286 566 Y C 2.063 177.951 175.900 -0.019 0.000 1.155 566 Y CA 1.133 59.349 58.100 0.194 0.000 1.164 566 Y CB -0.552 38.018 38.460 0.183 0.000 0.978 566 Y HN 0.107 nan 8.280 nan 0.000 0.513 567 L N 0.282 121.070 121.223 -0.724 0.000 2.083 567 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 567 L C 2.835 179.453 176.870 -0.421 0.000 1.083 567 L CA 1.194 55.550 54.840 -0.807 0.000 0.752 567 L CB -0.835 40.783 42.059 -0.735 0.000 0.899 567 L HN 0.447 nan 8.230 nan 0.000 0.433 568 A N -1.437 121.219 122.820 -0.274 0.000 1.898 568 A HA -0.149 4.170 4.320 -0.001 0.000 0.214 568 A C 2.505 180.023 177.584 -0.111 0.000 1.183 568 A CA 1.639 53.574 52.037 -0.170 0.000 0.622 568 A CB -0.446 18.456 19.000 -0.164 0.000 0.824 568 A HN 0.314 nan 8.150 nan 0.000 0.444 569 S N -1.316 114.337 115.700 -0.078 0.000 2.357 569 S HA -0.087 4.383 4.470 -0.001 0.000 0.221 569 S C 1.974 176.595 174.600 0.036 0.000 1.031 569 S CA 2.114 60.321 58.200 0.012 0.000 0.982 569 S CB -0.272 62.996 63.200 0.113 0.000 0.853 569 S HN 0.555 nan 8.310 nan 0.000 0.458 570 T N 1.094 115.645 114.554 -0.006 0.000 3.021 570 T HA 0.191 4.541 4.350 -0.001 0.000 0.245 570 T C 1.298 175.976 174.700 -0.037 0.000 1.028 570 T CA 0.442 62.564 62.100 0.038 0.000 1.139 570 T CB -0.032 68.961 68.868 0.207 0.000 0.884 570 T HN 0.271 nan 8.240 nan 0.000 0.457 571 E N 1.329 121.414 120.200 -0.193 0.000 2.479 571 E HA 0.178 4.528 4.350 -0.001 0.000 0.193 571 E C 0.074 176.656 176.600 -0.030 0.000 1.049 571 E CA -0.086 56.240 56.400 -0.123 0.000 0.870 571 E CB -0.358 29.207 29.700 -0.225 0.000 0.944 571 E HN 0.537 nan 8.360 nan 0.000 0.492 572 N N 0.665 119.358 118.700 -0.011 0.000 2.740 572 N HA -0.193 4.546 4.740 -0.001 0.000 0.248 572 N C -0.821 174.762 175.510 0.122 0.000 1.062 572 N CA 0.114 53.219 53.050 0.092 0.000 0.704 572 N CB -1.122 37.471 38.487 0.177 0.000 0.968 572 N HN 0.194 nan 8.380 nan 0.000 0.547 573 I N 1.022 121.596 120.570 0.007 0.000 2.377 573 I HA 0.335 4.505 4.170 -0.001 0.000 0.293 573 I C 0.639 176.735 176.117 -0.035 0.000 0.987 573 I CA -0.801 60.511 61.300 0.020 0.000 1.185 573 I CB 1.365 39.386 38.000 0.034 0.000 1.341 573 I HN 0.020 nan 8.210 nan 0.000 0.455 574 I N 6.468 127.029 120.570 -0.015 0.000 2.396 574 I HA 0.121 4.291 4.170 -0.001 0.000 0.289 574 I C -0.335 175.775 176.117 -0.011 0.000 1.056 574 I CA -0.313 60.943 61.300 -0.074 0.000 1.365 574 I CB 0.766 38.728 38.000 -0.063 0.000 1.407 574 I HN 0.214 nan 8.210 nan 0.000 0.509 575 V N 6.967 126.862 119.914 -0.033 0.000 2.328 575 V HA 0.582 4.702 4.120 -0.001 0.000 0.278 575 V C 0.429 176.560 176.094 0.062 0.000 1.021 575 V CA -0.416 61.914 62.300 0.049 0.000 0.838 575 V CB 1.028 32.868 31.823 0.028 0.000 0.999 575 V HN 0.838 nan 8.190 nan 0.000 0.447 576 A N 4.137 127.026 122.820 0.115 0.000 2.337 576 A HA 0.939 5.259 4.320 -0.001 0.000 0.331 576 A C -0.107 177.643 177.584 0.276 0.000 1.137 576 A CA -0.481 51.622 52.037 0.110 0.000 0.807 576 A CB 1.639 20.568 19.000 -0.119 0.000 1.250 576 A HN 0.678 nan 8.150 nan 0.000 0.468 577 S N -0.291 115.610 115.700 0.335 0.000 2.570 577 S HA 0.790 5.260 4.470 -0.001 0.000 0.286 577 S C -1.475 173.472 174.600 0.578 0.000 1.099 577 S CA -0.303 58.142 58.200 0.407 0.000 0.913 577 S CB 1.388 64.771 63.200 0.305 0.000 1.085 577 S HN 0.770 nan 8.310 nan 0.000 0.480 578 F N 1.724 121.893 119.950 0.365 0.000 2.574 578 F HA 0.421 4.948 4.527 -0.001 0.000 0.313 578 F C -1.686 174.290 175.800 0.293 0.000 1.130 578 F CA -0.711 57.524 58.000 0.391 0.000 0.936 578 F CB 1.459 40.672 39.000 0.355 0.000 1.219 578 F HN 0.399 nan 8.300 nan 0.000 0.445 579 D N 4.887 125.079 120.400 -0.348 0.000 2.443 579 D HA 0.367 5.007 4.640 -0.001 0.000 0.221 579 D C 0.417 176.445 176.300 -0.454 0.000 1.097 579 D CA 0.108 53.973 54.000 -0.226 0.000 0.865 579 D CB 1.491 42.295 40.800 0.008 0.000 1.034 579 D HN 0.749 nan 8.370 nan 0.000 0.511 580 G N 1.410 110.055 108.800 -0.258 0.000 2.695 580 G HA2 0.280 4.240 3.960 -0.001 0.000 0.213 580 G HA3 0.280 4.240 3.960 -0.001 0.000 0.213 580 G C 0.205 175.102 174.900 -0.006 0.000 1.406 580 G CA -0.697 44.289 45.100 -0.190 0.000 1.049 580 G HN 0.280 nan 8.290 nan 0.000 0.573 581 R N -0.825 119.651 120.500 -0.040 0.000 2.679 581 R HA 0.381 4.720 4.340 -0.001 0.000 0.268 581 R C 1.278 177.639 176.300 0.101 0.000 1.044 581 R CA 1.318 57.480 56.100 0.102 0.000 1.105 581 R CB 0.529 30.869 30.300 0.068 0.000 0.989 581 R HN 1.027 nan 8.270 nan 0.000 0.447 582 G N 0.851 109.705 108.800 0.091 0.000 2.241 582 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.244 582 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.244 582 G C 0.187 175.062 174.900 -0.042 0.000 0.998 582 G CA 0.278 45.402 45.100 0.040 0.000 0.621 582 G HN 0.747 nan 8.290 nan 0.000 0.519 583 S N 0.548 116.233 115.700 -0.024 0.000 2.584 583 S HA 0.619 5.089 4.470 -0.001 0.000 0.270 583 S C 0.968 175.514 174.600 -0.091 0.000 1.346 583 S CA 0.607 58.772 58.200 -0.060 0.000 1.018 583 S CB 1.644 64.847 63.200 0.004 0.000 0.899 583 S HN 1.689 nan 8.310 nan 0.000 0.542 584 G N -0.413 108.298 108.800 -0.149 0.000 2.557 584 G HA2 0.470 4.429 3.960 -0.001 0.000 0.302 584 G HA3 0.470 4.429 3.960 -0.001 0.000 0.302 584 G C -0.757 174.014 174.900 -0.216 0.000 1.311 584 G CA -1.042 43.830 45.100 -0.381 0.000 1.030 584 G HN 1.031 nan 8.290 nan 0.000 0.509 585 Y N -2.129 118.167 120.300 -0.006 0.000 3.978 585 Y HA -0.243 4.306 4.550 -0.001 0.000 0.219 585 Y C 1.268 177.171 175.900 0.004 0.000 1.153 585 Y CA 1.149 59.252 58.100 0.005 0.000 1.718 585 Y CB -2.072 36.406 38.460 0.030 0.000 1.541 585 Y HN 0.512 nan 8.280 nan 0.000 0.640 586 Q N -0.242 119.581 119.800 0.038 0.000 2.055 586 Q HA 0.487 4.827 4.340 -0.001 0.000 0.226 586 Q C 0.826 176.791 176.000 -0.059 0.000 0.805 586 Q CA 0.111 55.955 55.803 0.068 0.000 1.072 586 Q CB 1.699 30.464 28.738 0.044 0.000 1.219 586 Q HN 0.590 nan 8.270 nan 0.000 0.451 587 G N 0.752 109.408 108.800 -0.240 0.000 2.662 587 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.686 587 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.686 587 G C -0.548 174.016 174.900 -0.560 0.000 1.271 587 G CA -0.487 44.208 45.100 -0.675 0.000 0.816 587 G HN 0.089 nan 8.290 nan 0.000 0.608 588 D N -0.061 119.953 120.400 -0.644 0.000 2.194 588 D HA -0.024 4.615 4.640 -0.001 0.000 0.204 588 D C 2.299 178.301 176.300 -0.497 0.000 0.964 588 D CA 1.258 54.816 54.000 -0.737 0.000 0.846 588 D CB 0.001 40.360 40.800 -0.736 0.000 0.962 588 D HN 0.385 nan 8.370 nan 0.000 0.490 589 K N 1.171 121.346 120.400 -0.376 0.000 2.044 589 K HA -0.098 4.222 4.320 -0.001 0.000 0.210 589 K C 1.964 178.481 176.600 -0.138 0.000 1.049 589 K CA 1.037 57.196 56.287 -0.214 0.000 0.927 589 K CB -0.590 31.794 32.500 -0.193 0.000 0.713 589 K HN 0.182 nan 8.250 nan 0.000 0.443 590 I N -0.438 120.041 120.570 -0.152 0.000 2.333 590 I HA -0.182 3.988 4.170 -0.001 0.000 0.246 590 I C 2.559 178.652 176.117 -0.039 0.000 1.106 590 I CA 1.119 62.401 61.300 -0.031 0.000 1.411 590 I CB -0.162 37.839 38.000 0.001 0.000 1.082 590 I HN 0.256 nan 8.210 nan 0.000 0.420 591 M N 0.021 119.518 119.600 -0.173 0.000 2.156 591 M HA -0.191 4.289 4.480 -0.001 0.000 0.264 591 M C 2.057 178.355 176.300 -0.003 0.000 1.067 591 M CA 1.767 56.977 55.300 -0.150 0.000 1.131 591 M CB -0.210 32.196 32.600 -0.324 0.000 1.368 591 M HN 0.237 nan 8.290 nan 0.000 0.416 592 H N -0.004 118.966 119.070 -0.166 0.000 2.556 592 H HA 0.204 4.759 4.556 -0.001 0.000 0.268 592 H C 1.896 177.247 175.328 0.038 0.000 0.996 592 H CA 0.768 56.736 56.048 -0.133 0.000 1.157 592 H CB -0.623 28.980 29.762 -0.264 0.000 1.355 592 H HN 0.486 nan 8.280 nan 0.000 0.597 593 A N 1.326 124.243 122.820 0.161 0.000 2.032 593 A HA -0.160 4.160 4.320 -0.001 0.000 0.221 593 A C 1.833 179.614 177.584 0.328 0.000 1.165 593 A CA 1.663 53.811 52.037 0.184 0.000 0.645 593 A CB -0.582 18.483 19.000 0.108 0.000 0.807 593 A HN 0.373 nan 8.150 nan 0.000 0.453 594 I N -2.553 118.187 120.570 0.284 0.000 3.904 594 I HA 0.185 4.355 4.170 -0.001 0.000 0.333 594 I C 0.251 176.466 176.117 0.162 0.000 1.361 594 I CA -1.223 60.210 61.300 0.222 0.000 1.116 594 I CB -1.330 36.766 38.000 0.159 0.000 1.028 594 I HN 0.234 nan 8.210 nan 0.000 0.398 595 N N 3.018 121.861 118.700 0.238 0.000 2.359 595 N HA -0.090 4.649 4.740 -0.001 0.000 0.261 595 N C 0.208 175.759 175.510 0.067 0.000 1.267 595 N CA 0.333 53.516 53.050 0.222 0.000 0.864 595 N CB 0.259 38.841 38.487 0.159 0.000 1.063 595 N HN 0.358 nan 8.380 nan 0.000 0.474 596 R N 0.739 121.257 120.500 0.029 0.000 4.000 596 R HA -0.153 4.186 4.340 -0.001 0.000 0.362 596 R C -0.308 175.878 176.300 -0.191 0.000 1.183 596 R CA 0.810 56.881 56.100 -0.048 0.000 1.011 596 R CB -0.805 29.479 30.300 -0.026 0.000 1.501 596 R HN 0.660 nan 8.270 nan 0.000 0.553 597 R N 0.331 120.709 120.500 -0.204 0.000 2.635 597 R HA 0.187 4.526 4.340 -0.001 0.000 0.393 597 R C -0.679 175.589 176.300 -0.054 0.000 1.070 597 R CA -0.656 55.194 56.100 -0.417 0.000 1.118 597 R CB 0.418 30.477 30.300 -0.401 0.000 1.341 597 R HN -0.102 nan 8.270 nan 0.000 0.628 598 L N 0.506 121.764 121.223 0.059 0.000 2.514 598 L HA 0.145 4.485 4.340 -0.001 0.000 0.280 598 L C 1.534 178.637 176.870 0.388 0.000 1.223 598 L CA 1.625 56.534 54.840 0.114 0.000 0.864 598 L CB 0.160 42.034 42.059 -0.309 0.000 1.118 598 L HN 0.765 nan 8.230 nan 0.000 0.494 599 G N 1.059 110.130 108.800 0.452 0.000 2.160 599 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.244 599 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.244 599 G C 0.559 175.563 174.900 0.174 0.000 1.022 599 G CA 0.943 46.273 45.100 0.384 0.000 0.741 599 G HN 0.932 nan 8.290 nan 0.000 0.508 600 T N -3.646 110.963 114.554 0.092 0.000 2.995 600 T HA 0.474 4.824 4.350 -0.001 0.000 0.170 600 T C 1.648 176.330 174.700 -0.030 0.000 0.844 600 T CA 0.903 62.954 62.100 -0.082 0.000 1.137 600 T CB -0.033 68.614 68.868 -0.369 0.000 2.193 600 T HN 0.157 nan 8.240 nan 0.000 0.384 601 F N 3.508 123.500 119.950 0.070 0.000 2.161 601 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 601 F C 2.803 178.634 175.800 0.052 0.000 1.089 601 F CA 1.369 59.396 58.000 0.045 0.000 1.282 601 F CB -0.694 38.327 39.000 0.034 0.000 1.010 601 F HN 0.526 nan 8.300 nan 0.000 0.485 602 E N 0.772 121.125 120.200 0.256 0.000 2.204 602 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 602 E C 2.082 178.793 176.600 0.184 0.000 0.989 602 E CA 1.284 57.808 56.400 0.207 0.000 0.824 602 E CB -1.034 28.789 29.700 0.206 0.000 0.756 602 E HN 0.297 nan 8.360 nan 0.000 0.477 603 V N 1.603 121.607 119.914 0.150 0.000 2.283 603 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 603 V C 2.368 178.503 176.094 0.069 0.000 1.039 603 V CA 2.104 64.451 62.300 0.077 0.000 1.016 603 V CB -0.679 31.149 31.823 0.010 0.000 0.650 603 V HN 0.187 nan 8.190 nan 0.000 0.449 604 E N 0.189 120.441 120.200 0.086 0.000 2.171 604 E HA -0.264 4.085 4.350 -0.001 0.000 0.197 604 E C 1.841 178.467 176.600 0.042 0.000 0.997 604 E CA 1.652 58.096 56.400 0.075 0.000 0.810 604 E CB -0.167 29.609 29.700 0.127 0.000 0.738 604 E HN 0.599 nan 8.360 nan 0.000 0.467 605 D N -0.219 120.220 120.400 0.066 0.000 2.224 605 D HA -0.105 4.535 4.640 -0.001 0.000 0.205 605 D C 1.850 178.129 176.300 -0.035 0.000 0.965 605 D CA 0.602 54.614 54.000 0.021 0.000 0.852 605 D CB -0.018 40.845 40.800 0.106 0.000 0.947 605 D HN 0.082 nan 8.370 nan 0.000 0.494 606 Q N 0.072 119.911 119.800 0.065 0.000 2.123 606 Q HA 0.003 4.343 4.340 -0.001 0.000 0.199 606 Q C 2.473 178.500 176.000 0.044 0.000 0.966 606 Q CA 0.502 56.350 55.803 0.074 0.000 0.845 606 Q CB -0.031 28.785 28.738 0.130 0.000 0.907 606 Q HN 0.415 nan 8.270 nan 0.000 0.439 607 I N 0.668 121.278 120.570 0.067 0.000 2.179 607 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 607 I C 2.372 178.428 176.117 -0.103 0.000 1.088 607 I CA 1.195 62.559 61.300 0.107 0.000 1.357 607 I CB -0.232 37.831 38.000 0.105 0.000 1.051 607 I HN 0.136 nan 8.210 nan 0.000 0.409 608 E N 1.481 121.575 120.200 -0.177 0.000 2.118 608 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 608 E C 2.069 178.353 176.600 -0.528 0.000 0.992 608 E CA 1.640 57.870 56.400 -0.284 0.000 0.804 608 E CB -0.179 29.383 29.700 -0.230 0.000 0.741 608 E HN 0.430 nan 8.360 nan 0.000 0.458 609 A N 0.845 123.201 122.820 -0.773 0.000 1.865 609 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 609 A C 2.485 179.279 177.584 -1.316 0.000 1.191 609 A CA 2.366 53.617 52.037 -1.310 0.000 0.623 609 A CB -1.204 16.927 19.000 -1.449 0.000 0.826 609 A HN 0.396 nan 8.150 nan 0.000 0.444 610 A N -0.724 121.709 122.820 -0.645 0.000 1.972 610 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 610 A C 2.242 179.587 177.584 -0.398 0.000 1.169 610 A CA 1.509 53.316 52.037 -0.383 0.000 0.635 610 A CB -0.451 18.405 19.000 -0.239 0.000 0.810 610 A HN 0.551 nan 8.150 nan 0.000 0.446 611 R N -0.916 119.344 120.500 -0.401 0.000 2.075 611 R HA -0.094 4.246 4.340 -0.001 0.000 0.232 611 R C 2.254 178.365 176.300 -0.314 0.000 1.126 611 R CA 1.298 57.215 56.100 -0.304 0.000 0.963 611 R CB -0.219 29.937 30.300 -0.240 0.000 0.858 611 R HN 0.530 nan 8.270 nan 0.000 0.435 612 Q N -0.283 119.243 119.800 -0.455 0.000 2.170 612 Q HA -0.117 4.223 4.340 -0.001 0.000 0.203 612 Q C 1.884 177.731 176.000 -0.255 0.000 0.976 612 Q CA 1.288 56.863 55.803 -0.380 0.000 0.858 612 Q CB -0.092 28.373 28.738 -0.456 0.000 0.907 612 Q HN 0.288 nan 8.270 nan 0.000 0.433 613 F N 0.651 120.437 119.950 -0.274 0.000 2.206 613 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 613 F C 2.507 178.128 175.800 -0.300 0.000 1.090 613 F CA 0.382 58.206 58.000 -0.294 0.000 1.323 613 F CB -1.036 37.830 39.000 -0.224 0.000 1.028 613 F HN -0.079 nan 8.300 nan 0.000 0.492 614 S N 0.083 115.733 115.700 -0.084 0.000 2.374 614 S HA -0.208 4.262 4.470 -0.001 0.000 0.227 614 S C 1.775 176.283 174.600 -0.153 0.000 1.037 614 S CA 1.335 59.459 58.200 -0.127 0.000 1.024 614 S CB -0.377 62.740 63.200 -0.138 0.000 0.861 614 S HN 0.375 nan 8.310 nan 0.000 0.456 615 K N 0.366 120.676 120.400 -0.150 0.000 2.525 615 K HA 0.218 4.537 4.320 -0.001 0.000 0.192 615 K C 1.318 177.820 176.600 -0.162 0.000 1.029 615 K CA 0.219 56.425 56.287 -0.136 0.000 1.029 615 K CB -0.085 32.347 32.500 -0.114 0.000 0.814 615 K HN 0.386 nan 8.250 nan 0.000 0.503 616 M N -0.760 118.685 119.600 -0.259 0.000 2.556 616 M HA 0.019 4.498 4.480 -0.001 0.000 0.245 616 M C 1.223 177.217 176.300 -0.511 0.000 1.128 616 M CA 0.704 55.763 55.300 -0.401 0.000 1.069 616 M CB 0.470 32.716 32.600 -0.590 0.000 1.469 616 M HN 0.482 nan 8.290 nan 0.000 0.494 617 G N 1.057 109.639 108.800 -0.364 0.000 2.358 617 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.224 617 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.224 617 G C 0.532 175.386 174.900 -0.076 0.000 1.073 617 G CA 0.360 45.361 45.100 -0.165 0.000 0.635 617 G HN 0.596 nan 8.290 nan 0.000 0.509 618 F N 1.103 121.111 119.950 0.097 0.000 2.645 618 F HA 0.763 5.290 4.527 -0.001 0.000 0.300 618 F C 0.219 176.133 175.800 0.191 0.000 1.115 618 F CA -0.784 57.309 58.000 0.154 0.000 1.355 618 F CB 0.307 39.464 39.000 0.262 0.000 1.026 618 F HN 0.088 nan 8.300 nan 0.000 0.536 619 V N 1.493 121.427 119.914 0.033 0.000 2.398 619 V HA 0.171 4.291 4.120 -0.001 0.000 0.286 619 V C -0.706 175.389 176.094 0.002 0.000 1.026 619 V CA -0.780 61.557 62.300 0.062 0.000 0.868 619 V CB 1.466 33.268 31.823 -0.036 0.000 0.982 619 V HN 0.117 nan 8.190 nan 0.000 0.443 620 D N 3.755 124.152 120.400 -0.005 0.000 2.374 620 D HA 0.083 4.723 4.640 -0.001 0.000 0.240 620 D C 0.970 177.226 176.300 -0.073 0.000 1.229 620 D CA -0.347 53.618 54.000 -0.059 0.000 0.895 620 D CB 0.604 41.346 40.800 -0.098 0.000 1.046 620 D HN 0.639 nan 8.370 nan 0.000 0.498 621 N N 2.951 121.610 118.700 -0.068 0.000 2.434 621 N HA -0.058 4.681 4.740 -0.001 0.000 0.196 621 N C 0.652 176.126 175.510 -0.060 0.000 1.183 621 N CA 0.214 53.218 53.050 -0.076 0.000 0.849 621 N CB 0.175 38.607 38.487 -0.092 0.000 0.992 621 N HN 0.285 nan 8.380 nan 0.000 0.460 622 K N 0.079 120.450 120.400 -0.048 0.000 2.379 622 K HA 0.171 4.491 4.320 -0.001 0.000 0.194 622 K C 0.068 176.674 176.600 0.011 0.000 1.031 622 K CA 0.175 56.451 56.287 -0.019 0.000 1.037 622 K CB 0.525 33.014 32.500 -0.019 0.000 0.824 622 K HN 0.242 nan 8.250 nan 0.000 0.516 623 R N 1.185 121.663 120.500 -0.037 0.000 2.748 623 R HA 0.382 4.722 4.340 -0.001 0.000 0.283 623 R C -0.822 175.455 176.300 -0.040 0.000 1.507 623 R CA -0.128 55.939 56.100 -0.055 0.000 1.666 623 R CB 0.601 30.669 30.300 -0.387 0.000 1.237 623 R HN -0.033 nan 8.270 nan 0.000 0.633 624 I N 1.098 121.779 120.570 0.185 0.000 2.406 624 I HA 0.591 4.760 4.170 -0.001 0.000 0.290 624 I C -0.072 176.351 176.117 0.509 0.000 0.999 624 I CA -0.776 60.672 61.300 0.248 0.000 1.124 624 I CB 1.967 39.955 38.000 -0.020 0.000 1.289 624 I HN 0.318 nan 8.210 nan 0.000 0.441 625 A N 6.994 130.204 122.820 0.650 0.000 2.430 625 A HA 0.919 5.238 4.320 -0.001 0.000 0.300 625 A C -1.259 176.678 177.584 0.588 0.000 1.124 625 A CA -0.624 51.763 52.037 0.584 0.000 0.766 625 A CB 2.171 21.382 19.000 0.351 0.000 1.328 625 A HN 0.733 nan 8.150 nan 0.000 0.424 626 I N 0.752 121.572 120.570 0.417 0.000 2.722 626 I HA 0.750 4.920 4.170 -0.001 0.000 0.295 626 I C -1.853 174.514 176.117 0.417 0.000 1.161 626 I CA -0.581 60.903 61.300 0.307 0.000 1.032 626 I CB 1.698 39.596 38.000 -0.171 0.000 1.244 626 I HN 0.945 nan 8.210 nan 0.000 0.421 627 W N 6.757 128.182 121.300 0.208 0.000 3.137 627 W HA 0.849 5.509 4.660 -0.000 0.000 0.324 627 W C -1.497 175.167 176.519 0.242 0.000 1.253 627 W CA -0.975 56.503 57.345 0.221 0.000 1.183 627 W CB 0.996 30.634 29.460 0.298 0.000 1.424 627 W HN 0.848 nan 8.180 nan 0.000 0.566 628 G N 0.527 109.249 108.800 -0.129 0.000 2.547 628 G HA2 0.439 4.399 3.960 -0.001 0.000 0.291 628 G HA3 0.439 4.399 3.960 -0.001 0.000 0.291 628 G C -2.780 172.073 174.900 -0.077 0.000 1.471 628 G CA -0.762 44.119 45.100 -0.365 0.000 0.798 628 G HN 0.627 nan 8.290 nan 0.000 0.504 629 W N 1.065 122.220 121.300 -0.242 0.000 2.689 629 W HA 0.566 5.226 4.660 0.001 0.000 0.340 629 W C 0.880 177.380 176.519 -0.032 0.000 1.060 629 W CA 0.559 57.834 57.345 -0.116 0.000 1.218 629 W CB 1.687 31.067 29.460 -0.132 0.000 1.410 629 W HN 1.207 nan 8.180 nan 0.000 0.528 630 S N 1.854 117.775 115.700 0.369 0.000 4.140 630 S HA -0.433 4.036 4.470 -0.001 0.000 0.618 630 S C 0.836 175.563 174.600 0.212 0.000 1.896 630 S CA 1.587 60.000 58.200 0.355 0.000 4.240 630 S CB -1.556 61.893 63.200 0.415 0.000 0.208 630 S HN 0.760 nan 8.310 nan 0.000 0.487 631 Y N 3.095 123.487 120.300 0.154 0.000 2.224 631 Y HA 0.013 4.563 4.550 -0.000 0.000 0.289 631 Y C 2.553 178.647 175.900 0.324 0.000 1.146 631 Y CA 2.077 60.348 58.100 0.285 0.000 1.182 631 Y CB -0.977 37.742 38.460 0.432 0.000 0.983 631 Y HN 0.580 nan 8.280 nan 0.000 0.524 632 G N -0.637 108.442 108.800 0.465 0.000 2.440 632 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.218 632 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.218 632 G C 1.869 176.865 174.900 0.159 0.000 1.154 632 G CA 0.848 46.126 45.100 0.297 0.000 0.767 632 G HN 0.576 nan 8.290 nan 0.000 0.552 633 G N -0.109 108.768 108.800 0.129 0.000 2.421 633 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.216 633 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.216 633 G C 1.607 176.555 174.900 0.080 0.000 1.171 633 G CA 1.120 46.265 45.100 0.076 0.000 0.775 633 G HN 0.495 nan 8.290 nan 0.000 0.543 634 Y N 0.877 121.122 120.300 -0.093 0.000 2.128 634 Y HA -0.159 4.390 4.550 -0.001 0.000 0.284 634 Y C 2.821 178.663 175.900 -0.097 0.000 1.154 634 Y CA 1.871 59.861 58.100 -0.184 0.000 1.149 634 Y CB -0.215 37.990 38.460 -0.424 0.000 0.976 634 Y HN 0.041 nan 8.280 nan 0.000 0.505 635 V N -0.205 119.631 119.914 -0.131 0.000 2.358 635 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 635 V C 2.290 178.303 176.094 -0.135 0.000 1.047 635 V CA 2.368 64.582 62.300 -0.144 0.000 1.035 635 V CB -0.969 30.943 31.823 0.149 0.000 0.658 635 V HN 0.518 nan 8.190 nan 0.000 0.452 636 T N -0.099 114.430 114.554 -0.042 0.000 2.665 636 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 636 T C 2.135 176.795 174.700 -0.066 0.000 1.035 636 T CA 2.088 64.165 62.100 -0.038 0.000 1.151 636 T CB -0.284 68.633 68.868 0.082 0.000 0.862 636 T HN 0.517 nan 8.240 nan 0.000 0.438 637 S N 1.093 116.782 115.700 -0.018 0.000 2.356 637 S HA -0.042 4.427 4.470 -0.001 0.000 0.223 637 S C 2.163 176.675 174.600 -0.146 0.000 1.032 637 S CA 1.013 59.218 58.200 0.007 0.000 1.005 637 S CB -0.314 62.933 63.200 0.078 0.000 0.867 637 S HN 0.319 nan 8.310 nan 0.000 0.449 638 M N 0.942 120.372 119.600 -0.282 0.000 2.149 638 M HA -0.041 4.439 4.480 -0.001 0.000 0.261 638 M C 2.213 178.362 176.300 -0.253 0.000 1.064 638 M CA 1.070 56.188 55.300 -0.304 0.000 1.102 638 M CB -1.449 30.873 32.600 -0.464 0.000 1.369 638 M HN 0.176 nan 8.290 nan 0.000 0.408 639 V N 0.535 120.295 119.914 -0.256 0.000 2.358 639 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 639 V C 2.475 178.383 176.094 -0.309 0.000 1.047 639 V CA 1.344 63.491 62.300 -0.255 0.000 1.035 639 V CB -0.530 31.089 31.823 -0.340 0.000 0.658 639 V HN 0.400 nan 8.190 nan 0.000 0.452 640 L N 0.259 121.238 121.223 -0.407 0.000 2.201 640 L HA -0.010 4.330 4.340 -0.001 0.000 0.212 640 L C 2.303 178.651 176.870 -0.871 0.000 1.105 640 L CA 1.396 55.907 54.840 -0.549 0.000 0.775 640 L CB -0.728 40.986 42.059 -0.575 0.000 0.913 640 L HN 0.465 nan 8.230 nan 0.000 0.440 641 G N -1.137 107.161 108.800 -0.837 0.000 2.985 641 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.209 641 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.209 641 G C 1.610 176.340 174.900 -0.283 0.000 1.165 641 G CA 0.628 45.335 45.100 -0.655 0.000 0.776 641 G HN 0.439 nan 8.290 nan 0.000 0.541 642 S N -0.253 115.309 115.700 -0.230 0.000 2.489 642 S HA 0.262 4.732 4.470 -0.001 0.000 0.228 642 S C 1.938 176.491 174.600 -0.078 0.000 0.995 642 S CA 1.030 59.161 58.200 -0.115 0.000 0.934 642 S CB -0.292 62.863 63.200 -0.076 0.000 0.771 642 S HN 1.388 nan 8.310 nan 0.000 0.522 643 G N 1.392 110.133 108.800 -0.097 0.000 2.221 643 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.265 643 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.265 643 G C 0.850 175.737 174.900 -0.022 0.000 1.041 643 G CA 0.921 45.988 45.100 -0.055 0.000 0.807 643 G HN 1.281 nan 8.290 nan 0.000 0.502 644 S N -1.175 114.524 115.700 -0.002 0.000 2.436 644 S HA 0.337 4.806 4.470 -0.001 0.000 0.228 644 S C 2.458 177.061 174.600 0.006 0.000 1.014 644 S CA 1.600 59.809 58.200 0.015 0.000 0.950 644 S CB -0.048 63.186 63.200 0.057 0.000 0.784 644 S HN 2.401 nan 8.310 nan 0.000 0.504 645 G N 0.037 108.848 108.800 0.019 0.000 2.199 645 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.254 645 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.254 645 G C 0.800 175.687 174.900 -0.021 0.000 0.982 645 G CA 0.362 45.465 45.100 0.004 0.000 0.632 645 G HN 0.703 nan 8.290 nan 0.000 0.529 646 V N -0.310 119.573 119.914 -0.053 0.000 2.488 646 V HA 0.263 4.383 4.120 -0.001 0.000 0.246 646 V C 1.189 177.059 176.094 -0.374 0.000 1.046 646 V CA 1.558 63.691 62.300 -0.279 0.000 1.053 646 V CB -0.404 31.119 31.823 -0.500 0.000 0.679 646 V HN 0.300 nan 8.190 nan 0.000 0.458 647 F N -0.165 119.804 119.950 0.031 0.000 2.443 647 F HA 0.431 4.957 4.527 -0.001 0.000 0.335 647 F C 1.057 176.906 175.800 0.082 0.000 1.104 647 F CA -0.702 57.345 58.000 0.078 0.000 1.013 647 F CB 1.529 40.579 39.000 0.084 0.000 1.136 647 F HN -0.264 nan 8.300 nan 0.000 0.470 648 K N 1.535 122.103 120.400 0.281 0.000 2.098 648 K HA 0.097 4.417 4.320 -0.001 0.000 0.203 648 K C 0.014 176.742 176.600 0.215 0.000 1.051 648 K CA 0.939 57.350 56.287 0.205 0.000 0.957 648 K CB 0.253 32.868 32.500 0.192 0.000 0.738 648 K HN 0.801 nan 8.250 nan 0.000 0.447 649 c N -2.450 116.309 118.600 0.265 0.000 3.291 649 c HA 0.919 5.489 4.570 -0.001 0.000 0.316 649 c C -0.140 174.164 174.090 0.356 0.000 1.391 649 c CA -0.548 55.953 56.329 0.287 0.000 1.394 649 c CB 1.135 43.730 42.510 0.142 0.000 1.744 649 c HN 0.377 nan 8.230 nan 0.000 0.461 650 G N -0.036 109.044 108.800 0.466 0.000 2.646 650 G HA2 0.730 4.689 3.960 -0.001 0.000 0.291 650 G HA3 0.730 4.689 3.960 -0.001 0.000 0.291 650 G C -2.016 173.114 174.900 0.385 0.000 1.445 650 G CA -0.725 44.622 45.100 0.411 0.000 0.814 650 G HN 1.031 nan 8.290 nan 0.000 0.495 651 I N 0.524 121.285 120.570 0.319 0.000 2.499 651 I HA 0.615 4.784 4.170 -0.001 0.000 0.288 651 I C 0.108 176.335 176.117 0.183 0.000 1.048 651 I CA -0.978 60.399 61.300 0.127 0.000 1.062 651 I CB 2.275 40.354 38.000 0.132 0.000 1.238 651 I HN 0.669 nan 8.210 nan 0.000 0.426 652 A N 6.302 129.121 122.820 -0.001 0.000 2.303 652 A HA 0.803 5.123 4.320 -0.001 0.000 0.320 652 A C -0.721 176.769 177.584 -0.155 0.000 1.192 652 A CA -0.529 51.517 52.037 0.015 0.000 0.821 652 A CB 1.185 20.255 19.000 0.116 0.000 1.188 652 A HN 0.450 nan 8.150 nan 0.000 0.492 653 V N 2.144 121.919 119.914 -0.232 0.000 2.384 653 V HA 0.569 4.689 4.120 -0.001 0.000 0.287 653 V C 0.869 176.562 176.094 -0.668 0.000 1.020 653 V CA 0.333 62.279 62.300 -0.590 0.000 0.850 653 V CB 0.743 31.926 31.823 -1.067 0.000 0.987 653 V HN 2.113 nan 8.190 nan 0.000 0.436 654 A N 5.762 128.163 122.820 -0.698 0.000 2.466 654 A HA -0.097 4.223 4.320 -0.001 0.000 0.295 654 A C -1.960 175.442 177.584 -0.302 0.000 1.465 654 A CA 0.308 51.820 52.037 -0.875 0.000 0.744 654 A CB -1.511 17.044 19.000 -0.742 0.000 1.098 654 A HN 0.599 nan 8.150 nan 0.000 0.402 655 P HA 0.428 nan 4.420 nan 0.000 0.284 655 P C 0.239 177.511 177.300 -0.047 0.000 1.253 655 P CA -0.201 62.876 63.100 -0.038 0.000 0.800 655 P CB 1.381 33.087 31.700 0.010 0.000 0.961 656 V N 2.845 122.645 119.914 -0.190 0.000 2.655 656 V HA 0.006 4.125 4.120 -0.001 0.000 0.300 656 V C 1.816 177.731 176.094 -0.298 0.000 1.044 656 V CA 1.224 63.269 62.300 -0.424 0.000 1.095 656 V CB 0.517 31.718 31.823 -1.036 0.000 0.952 656 V HN 0.830 nan 8.190 nan 0.000 0.485 657 S N 4.121 119.674 115.700 -0.245 0.000 2.613 657 S HA 0.240 4.709 4.470 -0.001 0.000 0.235 657 S C 0.504 174.947 174.600 -0.262 0.000 1.073 657 S CA -0.305 57.821 58.200 -0.125 0.000 0.899 657 S CB 0.326 63.519 63.200 -0.011 0.000 0.818 657 S HN 0.845 nan 8.310 nan 0.000 0.484 658 R N -1.267 118.963 120.500 -0.451 0.000 2.643 658 R HA 0.428 4.768 4.340 -0.001 0.000 0.269 658 R C -0.960 175.004 176.300 -0.559 0.000 1.037 658 R CA -0.914 54.838 56.100 -0.580 0.000 0.894 658 R CB 0.004 30.000 30.300 -0.507 0.000 1.238 658 R HN 0.167 nan 8.270 nan 0.000 0.459 659 W N 1.211 122.425 121.300 -0.142 0.000 2.425 659 W HA 0.026 4.686 4.660 0.000 0.000 0.277 659 W C 1.195 177.863 176.519 0.247 0.000 1.231 659 W CA 0.667 58.018 57.345 0.010 0.000 1.248 659 W CB 0.197 29.546 29.460 -0.184 0.000 1.117 659 W HN 0.733 nan 8.180 nan 0.000 0.568 660 E N -0.755 119.662 120.200 0.361 0.000 2.401 660 E HA -0.197 4.153 4.350 -0.001 0.000 0.199 660 E C 1.308 178.090 176.600 0.303 0.000 1.023 660 E CA 0.982 57.534 56.400 0.253 0.000 0.859 660 E CB -0.392 29.349 29.700 0.068 0.000 0.780 660 E HN 0.360 nan 8.360 nan 0.000 0.523 661 Y N -1.466 118.946 120.300 0.187 0.000 2.475 661 Y HA 0.075 4.625 4.550 -0.001 0.000 0.289 661 Y C 0.701 176.733 175.900 0.221 0.000 1.121 661 Y CA -0.294 57.890 58.100 0.140 0.000 1.257 661 Y CB -0.415 38.066 38.460 0.035 0.000 1.026 661 Y HN 0.031 nan 8.280 nan 0.000 0.555 662 Y N 1.741 122.221 120.300 0.300 0.000 2.458 662 Y HA 0.295 4.845 4.550 -0.001 0.000 0.322 662 Y C 0.315 176.452 175.900 0.395 0.000 1.259 662 Y CA -2.156 56.126 58.100 0.303 0.000 1.302 662 Y CB 0.371 39.029 38.460 0.330 0.000 1.314 662 Y HN 0.173 nan 8.280 nan 0.000 0.509 663 D N -0.637 119.582 120.400 -0.300 0.000 2.368 663 D HA 0.085 4.724 4.640 -0.001 0.000 0.240 663 D C 0.918 177.235 176.300 0.029 0.000 1.169 663 D CA 0.392 54.263 54.000 -0.216 0.000 0.906 663 D CB 0.798 41.274 40.800 -0.539 0.000 1.187 663 D HN 0.464 nan 8.370 nan 0.000 0.435 664 S N 0.609 116.321 115.700 0.021 0.000 2.355 664 S HA -0.177 4.293 4.470 -0.001 0.000 0.222 664 S C 1.913 176.548 174.600 0.057 0.000 1.031 664 S CA 0.979 59.236 58.200 0.094 0.000 0.993 664 S CB -0.919 62.342 63.200 0.102 0.000 0.859 664 S HN 0.415 nan 8.310 nan 0.000 0.453 665 V N 0.935 120.821 119.914 -0.048 0.000 2.255 665 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 665 V C 2.318 178.316 176.094 -0.160 0.000 1.051 665 V CA 2.264 64.433 62.300 -0.218 0.000 1.018 665 V CB -1.091 30.459 31.823 -0.454 0.000 0.641 665 V HN 0.609 nan 8.190 nan 0.000 0.445 666 Y N 1.245 121.484 120.300 -0.102 0.000 2.133 666 Y HA -0.224 4.325 4.550 -0.000 0.000 0.287 666 Y C 2.718 178.615 175.900 -0.005 0.000 1.134 666 Y CA 2.330 60.444 58.100 0.023 0.000 1.133 666 Y CB -0.510 38.149 38.460 0.331 0.000 0.987 666 Y HN 0.221 nan 8.280 nan 0.000 0.502 667 T N 0.388 115.132 114.554 0.316 0.000 2.674 667 T HA -0.191 4.159 4.350 -0.001 0.000 0.265 667 T C 1.499 176.171 174.700 -0.047 0.000 1.039 667 T CA 1.931 64.161 62.100 0.216 0.000 1.150 667 T CB -0.319 68.826 68.868 0.462 0.000 0.864 667 T HN 0.444 nan 8.240 nan 0.000 0.427 668 E N 0.631 120.830 120.200 -0.002 0.000 2.338 668 E HA -0.059 4.291 4.350 -0.001 0.000 0.197 668 E C 2.288 178.762 176.600 -0.210 0.000 1.007 668 E CA 0.275 56.665 56.400 -0.016 0.000 0.849 668 E CB -0.111 29.628 29.700 0.065 0.000 0.774 668 E HN 0.330 nan 8.360 nan 0.000 0.506 669 R N 0.224 120.427 120.500 -0.494 0.000 2.105 669 R HA -0.189 4.151 4.340 -0.001 0.000 0.239 669 R C 1.065 176.794 176.300 -0.953 0.000 1.135 669 R CA 1.572 57.161 56.100 -0.851 0.000 0.967 669 R CB 0.046 29.477 30.300 -1.448 0.000 0.861 669 R HN 0.266 nan 8.270 nan 0.000 0.442 670 Y N -2.477 117.518 120.300 -0.508 0.000 2.498 670 Y HA 0.229 4.778 4.550 -0.001 0.000 0.259 670 Y C 1.726 177.456 175.900 -0.285 0.000 1.086 670 Y CA -0.109 57.694 58.100 -0.494 0.000 1.287 670 Y CB 0.413 38.451 38.460 -0.705 0.000 1.146 670 Y HN -0.069 nan 8.280 nan 0.000 0.523 671 M N -0.337 119.175 119.600 -0.147 0.000 2.367 671 M HA 0.363 4.842 4.480 -0.001 0.000 0.256 671 M C 1.167 177.507 176.300 0.066 0.000 1.091 671 M CA 0.809 56.035 55.300 -0.123 0.000 1.049 671 M CB -0.399 31.977 32.600 -0.374 0.000 1.406 671 M HN 0.342 nan 8.290 nan 0.000 0.498 672 G N 1.914 110.748 108.800 0.057 0.000 2.641 672 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.254 672 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.254 672 G C -0.601 174.424 174.900 0.208 0.000 1.315 672 G CA -0.749 44.415 45.100 0.107 0.000 0.907 672 G HN 0.252 nan 8.290 nan 0.000 0.572 673 L N 2.524 123.833 121.223 0.143 0.000 2.326 673 L HA 0.441 4.780 4.340 -0.001 0.000 0.278 673 L C -1.151 175.711 176.870 -0.014 0.000 1.092 673 L CA -1.915 52.970 54.840 0.075 0.000 0.810 673 L CB 0.904 42.978 42.059 0.026 0.000 1.153 673 L HN 0.427 nan 8.230 nan 0.000 0.439 674 P HA 0.058 nan 4.420 nan 0.000 0.232 674 P C -0.574 176.579 177.300 -0.246 0.000 1.738 674 P CA -0.056 62.650 63.100 -0.658 0.000 0.948 674 P CB -0.557 30.530 31.700 -1.022 0.000 1.943 675 T N -3.511 110.984 114.554 -0.099 0.000 2.906 675 T HA 0.448 4.798 4.350 -0.001 0.000 0.295 675 T C -2.304 172.391 174.700 -0.008 0.000 1.061 675 T CA -2.527 59.545 62.100 -0.048 0.000 1.000 675 T CB 1.905 70.756 68.868 -0.029 0.000 1.103 675 T HN -0.321 nan 8.240 nan 0.000 0.486 676 P HA -0.208 nan 4.420 nan 0.000 0.218 676 P C 1.335 178.647 177.300 0.019 0.000 1.152 676 P CA 1.338 64.445 63.100 0.012 0.000 0.857 676 P CB 0.107 31.811 31.700 0.007 0.000 0.787 677 E N -1.954 118.254 120.200 0.014 0.000 2.489 677 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 677 E C 0.838 177.452 176.600 0.024 0.000 1.057 677 E CA 0.568 56.977 56.400 0.016 0.000 0.866 677 E CB -0.171 29.535 29.700 0.009 0.000 0.916 677 E HN 0.240 nan 8.360 nan 0.000 0.500 678 D N 1.041 121.461 120.400 0.034 0.000 3.013 678 D HA 0.042 4.682 4.640 -0.001 0.000 0.235 678 D C 0.284 176.634 176.300 0.084 0.000 1.540 678 D CA 0.128 54.160 54.000 0.052 0.000 1.303 678 D CB 0.072 40.904 40.800 0.053 0.000 0.980 678 D HN 0.045 nan 8.370 nan 0.000 0.250 679 N N -0.158 118.618 118.700 0.126 0.000 2.390 679 N HA 0.095 4.834 4.740 -0.001 0.000 0.259 679 N C 0.769 176.462 175.510 0.304 0.000 1.395 679 N CA -0.059 53.119 53.050 0.214 0.000 0.852 679 N CB 0.301 38.950 38.487 0.269 0.000 1.371 679 N HN 0.090 nan 8.380 nan 0.000 0.491 680 L N 0.523 121.840 121.223 0.156 0.000 2.042 680 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 680 L C 1.306 178.281 176.870 0.175 0.000 1.076 680 L CA 1.991 56.898 54.840 0.112 0.000 0.749 680 L CB -0.419 41.650 42.059 0.017 0.000 0.893 680 L HN 0.115 nan 8.230 nan 0.000 0.432 681 D N -1.209 119.278 120.400 0.146 0.000 2.126 681 D HA -0.289 4.350 4.640 -0.001 0.000 0.190 681 D C 2.130 178.532 176.300 0.169 0.000 1.001 681 D CA 1.954 56.033 54.000 0.133 0.000 0.841 681 D CB -0.184 40.682 40.800 0.111 0.000 0.949 681 D HN 0.606 nan 8.370 nan 0.000 0.446 682 H N -1.233 117.910 119.070 0.122 0.000 2.462 682 H HA -0.024 4.532 4.556 -0.000 0.000 0.292 682 H C 1.715 177.118 175.328 0.125 0.000 1.049 682 H CA 1.117 57.219 56.048 0.090 0.000 1.334 682 H CB -0.274 29.508 29.762 0.033 0.000 1.404 682 H HN 0.208 nan 8.280 nan 0.000 0.544 683 Y N 0.188 120.485 120.300 -0.004 0.000 2.207 683 Y HA -0.177 4.373 4.550 -0.001 0.000 0.287 683 Y C 2.344 178.213 175.900 -0.051 0.000 1.156 683 Y CA 1.270 59.368 58.100 -0.003 0.000 1.182 683 Y CB 0.152 38.643 38.460 0.052 0.000 0.979 683 Y HN 0.144 nan 8.280 nan 0.000 0.521 684 R N -0.244 120.329 120.500 0.122 0.000 2.153 684 R HA -0.035 4.305 4.340 -0.001 0.000 0.218 684 R C 1.141 177.439 176.300 -0.004 0.000 1.072 684 R CA 0.731 56.859 56.100 0.047 0.000 0.990 684 R CB -0.527 29.802 30.300 0.050 0.000 0.889 684 R HN 0.479 nan 8.270 nan 0.000 0.452 685 N N 0.742 119.416 118.700 -0.043 0.000 2.398 685 N HA -0.027 4.712 4.740 -0.001 0.000 0.188 685 N C 0.229 175.679 175.510 -0.100 0.000 1.122 685 N CA 0.466 53.487 53.050 -0.048 0.000 0.866 685 N CB 0.444 38.943 38.487 0.019 0.000 0.970 685 N HN 0.123 nan 8.380 nan 0.000 0.462 686 S N -0.588 115.018 115.700 -0.157 0.000 2.741 686 S HA 0.067 4.536 4.470 -0.001 0.000 0.247 686 S C 0.431 175.073 174.600 0.070 0.000 1.050 686 S CA -0.775 57.383 58.200 -0.070 0.000 1.025 686 S CB -0.093 62.979 63.200 -0.213 0.000 0.897 686 S HN 0.105 nan 8.310 nan 0.000 0.508 687 T N -1.058 113.498 114.554 0.004 0.000 2.909 687 T HA 0.472 4.821 4.350 -0.001 0.000 0.289 687 T C 1.366 176.067 174.700 0.001 0.000 1.005 687 T CA -0.128 61.962 62.100 -0.016 0.000 1.084 687 T CB 1.527 70.356 68.868 -0.064 0.000 0.975 687 T HN 0.462 nan 8.240 nan 0.000 0.509 688 V N 2.421 122.333 119.914 -0.002 0.000 2.515 688 V HA -0.092 4.028 4.120 -0.001 0.000 0.250 688 V C 2.168 178.239 176.094 -0.038 0.000 1.058 688 V CA 1.511 63.799 62.300 -0.020 0.000 1.064 688 V CB -1.130 30.677 31.823 -0.026 0.000 0.675 688 V HN 0.859 nan 8.190 nan 0.000 0.461 689 M N 2.317 121.881 119.600 -0.062 0.000 2.106 689 M HA -0.161 4.319 4.480 -0.001 0.000 0.259 689 M C 2.442 178.720 176.300 -0.038 0.000 1.068 689 M CA 2.551 57.809 55.300 -0.070 0.000 1.100 689 M CB -1.123 31.446 32.600 -0.050 0.000 1.351 689 M HN 0.744 nan 8.290 nan 0.000 0.404 690 S N -0.415 115.274 115.700 -0.018 0.000 2.474 690 S HA -0.079 4.391 4.470 -0.001 0.000 0.235 690 S C 1.662 176.270 174.600 0.015 0.000 0.997 690 S CA 0.719 58.916 58.200 -0.003 0.000 0.949 690 S CB -0.504 62.694 63.200 -0.004 0.000 0.766 690 S HN 0.548 nan 8.310 nan 0.000 0.517 691 R N 0.420 120.942 120.500 0.037 0.000 2.427 691 R HA 0.452 4.791 4.340 -0.001 0.000 0.262 691 R C 1.956 178.374 176.300 0.196 0.000 0.943 691 R CA 0.423 56.571 56.100 0.080 0.000 1.081 691 R CB -0.123 30.212 30.300 0.058 0.000 1.166 691 R HN 0.470 nan 8.270 nan 0.000 0.534 692 A N 1.415 124.301 122.820 0.111 0.000 1.940 692 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 692 A C 2.008 179.695 177.584 0.172 0.000 1.176 692 A CA 1.565 53.647 52.037 0.074 0.000 0.631 692 A CB -0.147 18.800 19.000 -0.089 0.000 0.814 692 A HN 0.238 nan 8.150 nan 0.000 0.446 693 E N 0.487 120.752 120.200 0.108 0.000 2.110 693 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 693 E C 1.577 178.237 176.600 0.100 0.000 0.988 693 E CA 1.359 57.811 56.400 0.087 0.000 0.804 693 E CB -0.181 29.549 29.700 0.051 0.000 0.745 693 E HN 0.560 nan 8.360 nan 0.000 0.458 694 N N -0.385 118.363 118.700 0.081 0.000 2.519 694 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 694 N C 0.842 176.321 175.510 -0.052 0.000 1.062 694 N CA 0.579 53.624 53.050 -0.008 0.000 0.910 694 N CB -0.217 38.217 38.487 -0.089 0.000 0.958 694 N HN 0.218 nan 8.380 nan 0.000 0.445 695 F N 1.079 120.988 119.950 -0.068 0.000 2.604 695 F HA 0.037 4.563 4.527 -0.001 0.000 0.298 695 F C 1.956 177.761 175.800 0.007 0.000 1.131 695 F CA 0.554 58.509 58.000 -0.075 0.000 1.457 695 F CB 0.031 38.936 39.000 -0.158 0.000 1.095 695 F HN -0.075 nan 8.300 nan 0.000 0.574 696 K N -0.023 120.478 120.400 0.169 0.000 2.281 696 K HA -0.210 4.109 4.320 -0.001 0.000 0.203 696 K C 1.740 178.398 176.600 0.097 0.000 1.046 696 K CA 1.181 57.544 56.287 0.127 0.000 0.938 696 K CB -0.138 32.417 32.500 0.092 0.000 0.737 696 K HN 0.395 nan 8.250 nan 0.000 0.458 697 Q N -0.279 119.557 119.800 0.061 0.000 2.398 697 Q HA 0.015 4.355 4.340 -0.001 0.000 0.204 697 Q C 0.373 176.411 176.000 0.065 0.000 0.932 697 Q CA 0.280 56.109 55.803 0.044 0.000 0.916 697 Q CB 0.694 29.436 28.738 0.008 0.000 1.024 697 Q HN 0.162 nan 8.270 nan 0.000 0.504 698 V N -2.898 117.068 119.914 0.086 0.000 3.155 698 V HA 0.482 4.602 4.120 -0.001 0.000 0.313 698 V C -1.139 175.093 176.094 0.229 0.000 1.162 698 V CA -1.250 61.131 62.300 0.134 0.000 1.048 698 V CB 2.170 34.046 31.823 0.089 0.000 1.092 698 V HN -0.057 nan 8.190 nan 0.000 0.447 699 E N 1.054 121.421 120.200 0.277 0.000 2.156 699 E HA 0.491 4.841 4.350 -0.001 0.000 0.279 699 E C -1.874 175.102 176.600 0.626 0.000 0.965 699 E CA -0.337 56.299 56.400 0.393 0.000 0.789 699 E CB 1.801 31.654 29.700 0.255 0.000 1.098 699 E HN 0.682 nan 8.360 nan 0.000 0.397 700 Y N 3.251 123.829 120.300 0.464 0.000 2.409 700 Y HA 0.473 5.023 4.550 -0.001 0.000 0.343 700 Y C -1.706 174.276 175.900 0.137 0.000 0.973 700 Y CA -1.475 56.830 58.100 0.342 0.000 1.064 700 Y CB 1.114 39.789 38.460 0.358 0.000 1.207 700 Y HN 0.438 nan 8.280 nan 0.000 0.452 701 L N 7.676 128.568 121.223 -0.552 0.000 2.349 701 L HA 0.638 4.978 4.340 -0.001 0.000 0.278 701 L C -2.224 174.172 176.870 -0.790 0.000 0.996 701 L CA -0.785 53.595 54.840 -0.768 0.000 0.825 701 L CB 1.357 42.619 42.059 -1.329 0.000 1.243 701 L HN 0.643 nan 8.230 nan 0.000 0.412 702 L N 6.591 127.461 121.223 -0.588 0.000 2.313 702 L HA 0.720 5.060 4.340 -0.001 0.000 0.283 702 L C -1.212 175.530 176.870 -0.214 0.000 1.013 702 L CA -0.097 54.457 54.840 -0.476 0.000 0.816 702 L CB 1.336 43.154 42.059 -0.402 0.000 1.236 702 L HN 0.602 nan 8.230 nan 0.000 0.419 703 I N 4.468 124.922 120.570 -0.194 0.000 2.582 703 I HA 0.455 4.625 4.170 -0.001 0.000 0.292 703 I C -1.237 174.851 176.117 -0.049 0.000 1.066 703 I CA -0.686 60.553 61.300 -0.102 0.000 1.053 703 I CB 2.074 39.971 38.000 -0.171 0.000 1.241 703 I HN 0.691 nan 8.210 nan 0.000 0.421 704 H N 2.358 121.465 119.070 0.062 0.000 3.086 704 H HA 0.485 5.041 4.556 -0.001 0.000 0.353 704 H C -0.361 175.178 175.328 0.352 0.000 1.134 704 H CA -0.590 55.533 56.048 0.125 0.000 1.248 704 H CB 2.056 31.830 29.762 0.020 0.000 1.878 704 H HN 0.755 nan 8.280 nan 0.000 0.527 705 G N 1.021 110.144 108.800 0.539 0.000 2.390 705 G HA2 0.212 4.171 3.960 -0.001 0.000 0.270 705 G HA3 0.212 4.171 3.960 -0.001 0.000 0.270 705 G C 1.109 176.293 174.900 0.472 0.000 1.211 705 G CA 0.125 45.505 45.100 0.466 0.000 0.842 705 G HN 0.739 nan 8.290 nan 0.000 0.519 706 T N -0.797 113.917 114.554 0.267 0.000 3.055 706 T HA 0.172 4.521 4.350 -0.001 0.000 0.265 706 T C 1.545 176.232 174.700 -0.022 0.000 1.111 706 T CA 1.132 63.221 62.100 -0.018 0.000 1.118 706 T CB 0.250 69.026 68.868 -0.155 0.000 0.909 706 T HN 0.694 nan 8.240 nan 0.000 0.501 707 A N 1.012 123.877 122.820 0.075 0.000 2.713 707 A HA 0.346 4.665 4.320 -0.001 0.000 0.296 707 A C 0.250 177.790 177.584 -0.073 0.000 1.255 707 A CA -0.528 51.519 52.037 0.016 0.000 0.955 707 A CB -0.164 19.107 19.000 0.451 0.000 1.149 707 A HN 0.375 nan 8.150 nan 0.000 0.538 708 D N 1.471 121.840 120.400 -0.051 0.000 2.338 708 D HA 0.017 4.657 4.640 -0.001 0.000 0.255 708 D C 0.376 176.645 176.300 -0.052 0.000 1.237 708 D CA 0.044 54.115 54.000 0.119 0.000 0.883 708 D CB 0.765 41.779 40.800 0.356 0.000 1.087 708 D HN 0.545 nan 8.370 nan 0.000 0.485 709 D N 2.279 122.700 120.400 0.036 0.000 2.323 709 D HA -0.115 4.524 4.640 -0.001 0.000 0.209 709 D C 1.031 177.280 176.300 -0.085 0.000 0.973 709 D CA 0.204 54.165 54.000 -0.066 0.000 0.874 709 D CB 0.249 40.913 40.800 -0.225 0.000 0.930 709 D HN 0.458 nan 8.370 nan 0.000 0.521 710 N N 0.069 118.826 118.700 0.095 0.000 2.324 710 N HA -0.029 4.711 4.740 -0.001 0.000 0.192 710 N C -0.190 175.299 175.510 -0.035 0.000 1.046 710 N CA 0.206 53.352 53.050 0.161 0.000 0.898 710 N CB 0.736 39.333 38.487 0.184 0.000 1.079 710 N HN -0.170 nan 8.380 nan 0.000 0.456 711 V N 2.407 122.334 119.914 0.022 0.000 2.304 711 V HA 0.206 4.325 4.120 -0.001 0.000 0.269 711 V C -0.892 175.292 176.094 0.150 0.000 1.036 711 V CA -0.389 61.952 62.300 0.068 0.000 0.840 711 V CB 0.106 32.016 31.823 0.144 0.000 1.036 711 V HN 0.328 nan 8.190 nan 0.000 0.466 712 H N 3.386 122.462 119.070 0.009 0.000 2.897 712 H HA -0.009 4.546 4.556 -0.001 0.000 0.347 712 H C 0.824 176.018 175.328 -0.224 0.000 1.068 712 H CA -0.030 55.934 56.048 -0.140 0.000 1.426 712 H CB 0.713 30.308 29.762 -0.279 0.000 1.410 712 H HN 0.640 nan 8.280 nan 0.000 0.597 713 F N 2.218 121.970 119.950 -0.329 0.000 2.184 713 F HA -0.349 4.176 4.527 -0.002 0.000 0.301 713 F C 2.593 178.111 175.800 -0.469 0.000 1.076 713 F CA 1.976 59.579 58.000 -0.662 0.000 1.295 713 F CB -0.208 38.587 39.000 -0.341 0.000 1.026 713 F HN 0.690 nan 8.300 nan 0.000 0.494 714 Q N 0.154 119.833 119.800 -0.202 0.000 2.142 714 Q HA -0.346 3.993 4.340 -0.001 0.000 0.213 714 Q C 2.125 177.892 176.000 -0.389 0.000 1.004 714 Q CA 2.545 58.174 55.803 -0.290 0.000 0.883 714 Q CB -0.411 28.123 28.738 -0.340 0.000 0.939 714 Q HN 0.611 nan 8.270 nan 0.000 0.413 715 Q N -0.339 119.270 119.800 -0.317 0.000 2.061 715 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 715 Q C 2.278 178.179 176.000 -0.165 0.000 0.984 715 Q CA 1.808 57.538 55.803 -0.121 0.000 0.846 715 Q CB -0.147 28.607 28.738 0.026 0.000 0.902 715 Q HN 0.351 nan 8.270 nan 0.000 0.421 716 S N 0.666 116.158 115.700 -0.346 0.000 2.436 716 S HA -0.000 4.470 4.470 -0.001 0.000 0.228 716 S C 2.035 176.381 174.600 -0.422 0.000 1.014 716 S CA 0.671 58.666 58.200 -0.343 0.000 0.950 716 S CB -0.086 62.905 63.200 -0.349 0.000 0.784 716 S HN 0.465 nan 8.310 nan 0.000 0.504 717 A N 1.447 123.922 122.820 -0.575 0.000 1.933 717 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 717 A C 2.135 179.622 177.584 -0.161 0.000 1.175 717 A CA 1.159 52.998 52.037 -0.330 0.000 0.628 717 A CB -0.375 18.499 19.000 -0.210 0.000 0.814 717 A HN 0.377 nan 8.150 nan 0.000 0.444 718 Q N -0.611 119.102 119.800 -0.145 0.000 2.187 718 Q HA 0.049 4.389 4.340 -0.001 0.000 0.199 718 Q C 2.121 178.075 176.000 -0.076 0.000 0.957 718 Q CA 0.840 56.611 55.803 -0.054 0.000 0.857 718 Q CB -0.233 28.540 28.738 0.059 0.000 0.929 718 Q HN 0.778 nan 8.270 nan 0.000 0.453 719 I N 1.206 121.702 120.570 -0.123 0.000 2.179 719 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 719 I C 2.580 178.537 176.117 -0.266 0.000 1.088 719 I CA 1.516 62.696 61.300 -0.199 0.000 1.357 719 I CB -0.431 37.451 38.000 -0.196 0.000 1.051 719 I HN 0.180 nan 8.210 nan 0.000 0.409 720 S N 0.940 116.521 115.700 -0.199 0.000 2.368 720 S HA -0.257 4.213 4.470 -0.001 0.000 0.224 720 S C 2.043 176.634 174.600 -0.014 0.000 1.029 720 S CA 1.303 59.433 58.200 -0.117 0.000 0.988 720 S CB -0.458 62.831 63.200 0.147 0.000 0.838 720 S HN 0.349 nan 8.310 nan 0.000 0.462 721 K N 1.845 122.235 120.400 -0.017 0.000 2.074 721 K HA -0.079 4.241 4.320 -0.001 0.000 0.209 721 K C 2.284 178.871 176.600 -0.022 0.000 1.048 721 K CA 1.370 57.659 56.287 0.003 0.000 0.926 721 K CB -0.764 31.734 32.500 -0.004 0.000 0.713 721 K HN 0.458 nan 8.250 nan 0.000 0.444 722 A N 0.955 123.730 122.820 -0.075 0.000 1.902 722 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 722 A C 2.103 179.622 177.584 -0.108 0.000 1.181 722 A CA 1.510 53.493 52.037 -0.091 0.000 0.623 722 A CB -0.615 18.311 19.000 -0.124 0.000 0.818 722 A HN 0.341 nan 8.150 nan 0.000 0.443 723 L N -0.722 120.387 121.223 -0.190 0.000 2.156 723 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 723 L C 2.431 179.333 176.870 0.054 0.000 1.095 723 L CA 0.620 55.360 54.840 -0.166 0.000 0.770 723 L CB -0.526 41.253 42.059 -0.467 0.000 0.914 723 L HN 0.219 nan 8.230 nan 0.000 0.439 724 V N -0.153 119.826 119.914 0.108 0.000 2.358 724 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 724 V C 1.969 178.106 176.094 0.070 0.000 1.047 724 V CA 1.843 64.223 62.300 0.134 0.000 1.035 724 V CB -0.436 31.465 31.823 0.129 0.000 0.658 724 V HN 0.420 nan 8.190 nan 0.000 0.452 725 D N 0.160 120.582 120.400 0.037 0.000 2.264 725 D HA -0.083 4.557 4.640 -0.001 0.000 0.208 725 D C 1.718 178.034 176.300 0.026 0.000 0.966 725 D CA 1.513 55.528 54.000 0.026 0.000 0.864 725 D CB 0.047 40.854 40.800 0.012 0.000 0.933 725 D HN 0.558 nan 8.370 nan 0.000 0.499 726 V N -3.699 116.231 119.914 0.028 0.000 3.376 726 V HA 0.512 4.632 4.120 -0.001 0.000 0.313 726 V C 1.230 177.356 176.094 0.054 0.000 1.393 726 V CA 0.330 62.651 62.300 0.035 0.000 1.125 726 V CB -0.006 31.834 31.823 0.029 0.000 1.037 726 V HN 0.131 nan 8.190 nan 0.000 0.440 727 G N 0.478 109.318 108.800 0.066 0.000 2.176 727 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.252 727 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.252 727 G C -0.017 174.947 174.900 0.108 0.000 1.024 727 G CA 0.195 45.342 45.100 0.079 0.000 0.755 727 G HN 0.881 nan 8.290 nan 0.000 0.507 728 V N 0.680 120.679 119.914 0.142 0.000 2.406 728 V HA 0.420 4.540 4.120 -0.001 0.000 0.272 728 V C 0.526 176.807 176.094 0.311 0.000 1.043 728 V CA -0.247 62.172 62.300 0.199 0.000 0.915 728 V CB 1.591 33.522 31.823 0.180 0.000 0.988 728 V HN 0.449 nan 8.190 nan 0.000 0.466 729 D N 4.403 124.952 120.400 0.247 0.000 2.302 729 D HA 0.584 5.224 4.640 -0.001 0.000 0.248 729 D C -0.539 175.969 176.300 0.347 0.000 1.094 729 D CA 0.060 54.182 54.000 0.203 0.000 0.897 729 D CB 0.706 41.565 40.800 0.098 0.000 1.200 729 D HN 0.380 nan 8.370 nan 0.000 0.429 730 F N -0.066 119.961 119.950 0.129 0.000 2.779 730 F HA 0.456 4.984 4.527 0.003 0.000 0.316 730 F C -1.437 174.424 175.800 0.102 0.000 1.164 730 F CA -1.182 56.920 58.000 0.169 0.000 0.924 730 F CB 0.830 39.968 39.000 0.230 0.000 1.348 730 F HN 0.073 nan 8.300 nan 0.000 0.467 731 Q N 1.466 121.375 119.800 0.181 0.000 2.222 731 Q HA 0.797 5.137 4.340 -0.001 0.000 0.252 731 Q C -0.648 175.374 176.000 0.037 0.000 0.926 731 Q CA -0.629 55.180 55.803 0.009 0.000 0.899 731 Q CB 1.985 30.730 28.738 0.011 0.000 1.250 731 Q HN 1.015 nan 8.270 nan 0.000 0.441 732 A N 1.735 124.531 122.820 -0.040 0.000 2.530 732 A HA 0.895 5.214 4.320 -0.001 0.000 0.288 732 A C -1.310 176.213 177.584 -0.101 0.000 1.172 732 A CA -0.597 51.443 52.037 0.005 0.000 0.733 732 A CB 2.039 21.118 19.000 0.131 0.000 1.320 732 A HN 0.634 nan 8.150 nan 0.000 0.419 733 M N 0.444 119.975 119.600 -0.115 0.000 2.323 733 M HA 0.510 4.989 4.480 -0.001 0.000 0.278 733 M C -2.124 174.075 176.300 -0.168 0.000 1.069 733 M CA -0.333 54.756 55.300 -0.352 0.000 0.950 733 M CB 0.948 33.236 32.600 -0.519 0.000 1.879 733 M HN 1.044 nan 8.290 nan 0.000 0.491 734 W N 4.132 125.310 121.300 -0.203 0.000 2.509 734 W HA 0.801 5.459 4.660 -0.003 0.000 0.351 734 W C -1.931 174.377 176.519 -0.352 0.000 1.107 734 W CA -0.767 56.538 57.345 -0.065 0.000 1.264 734 W CB 0.396 29.860 29.460 0.007 0.000 1.312 734 W HN 0.616 nan 8.180 nan 0.000 0.608 735 Y N 1.982 122.426 120.300 0.241 0.000 2.376 735 Y HA 0.283 4.833 4.550 0.001 0.000 0.326 735 Y C 0.392 176.423 175.900 0.218 0.000 0.970 735 Y CA -1.167 56.994 58.100 0.101 0.000 1.248 735 Y CB 1.373 39.850 38.460 0.029 0.000 1.117 735 Y HN 0.422 nan 8.280 nan 0.000 0.476 736 T N 4.547 119.304 114.554 0.339 0.000 2.778 736 T HA -0.043 4.307 4.350 -0.001 0.000 0.282 736 T C 0.148 174.929 174.700 0.135 0.000 0.983 736 T CA 0.716 62.943 62.100 0.212 0.000 1.193 736 T CB -0.193 68.740 68.868 0.108 0.000 0.938 736 T HN 0.719 nan 8.240 nan 0.000 0.523 737 D N 0.570 121.024 120.400 0.091 0.000 3.046 737 D HA -0.123 4.516 4.640 -0.001 0.000 0.210 737 D C 0.216 176.645 176.300 0.215 0.000 1.124 737 D CA 1.108 55.113 54.000 0.008 0.000 0.986 737 D CB -0.460 40.149 40.800 -0.318 0.000 1.118 737 D HN 0.584 nan 8.370 nan 0.000 0.416 738 E N 1.136 121.477 120.200 0.236 0.000 2.301 738 E HA 0.330 4.680 4.350 -0.001 0.000 0.275 738 E C 0.752 177.520 176.600 0.279 0.000 1.030 738 E CA -0.254 56.297 56.400 0.252 0.000 0.852 738 E CB 1.143 30.976 29.700 0.222 0.000 1.060 738 E HN 0.361 nan 8.360 nan 0.000 0.401 739 D N -0.334 120.241 120.400 0.292 0.000 2.530 739 D HA -0.002 4.638 4.640 -0.001 0.000 0.282 739 D C 1.037 177.538 176.300 0.335 0.000 1.204 739 D CA -0.289 53.903 54.000 0.321 0.000 1.093 739 D CB -0.076 40.944 40.800 0.366 0.000 1.154 739 D HN 0.441 nan 8.370 nan 0.000 0.593 740 H N -1.585 117.652 119.070 0.278 0.000 2.489 740 H HA 0.050 4.605 4.556 -0.001 0.000 0.295 740 H C 1.898 177.474 175.328 0.413 0.000 1.082 740 H CA 2.185 58.419 56.048 0.310 0.000 1.295 740 H CB -0.343 29.588 29.762 0.282 0.000 1.380 740 H HN 0.491 nan 8.280 nan 0.000 0.548 741 G N -0.150 108.825 108.800 0.291 0.000 2.494 741 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.216 741 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.216 741 G C 0.634 175.715 174.900 0.302 0.000 1.140 741 G CA 0.351 45.563 45.100 0.187 0.000 0.801 741 G HN 0.523 nan 8.290 nan 0.000 0.536 742 I N 0.145 120.880 120.570 0.276 0.000 6.347 742 I HA -0.310 3.860 4.170 -0.001 0.000 0.126 742 I C 1.521 177.745 176.117 0.178 0.000 1.576 742 I CA 0.064 61.471 61.300 0.178 0.000 2.463 742 I CB -1.205 36.847 38.000 0.086 0.000 2.990 742 I HN 0.251 nan 8.210 nan 0.000 0.281 743 A N 0.761 123.667 122.820 0.142 0.000 2.303 743 A HA 0.277 4.596 4.320 -0.001 0.000 0.217 743 A C 1.188 178.814 177.584 0.072 0.000 1.205 743 A CA 0.255 52.345 52.037 0.087 0.000 0.875 743 A CB 0.227 19.264 19.000 0.062 0.000 0.910 743 A HN 0.456 nan 8.150 nan 0.000 0.501 744 S N 0.388 116.146 115.700 0.098 0.000 2.558 744 S HA 0.074 4.544 4.470 -0.001 0.000 0.287 744 S C 1.532 176.187 174.600 0.093 0.000 1.321 744 S CA 0.458 58.712 58.200 0.090 0.000 1.048 744 S CB 1.124 64.382 63.200 0.096 0.000 0.844 744 S HN 0.577 nan 8.310 nan 0.000 0.512 745 S N 2.409 118.151 115.700 0.070 0.000 2.369 745 S HA -0.220 4.249 4.470 -0.001 0.000 0.225 745 S C 2.251 176.913 174.600 0.104 0.000 1.043 745 S CA 2.365 60.608 58.200 0.072 0.000 1.074 745 S CB -0.899 62.327 63.200 0.043 0.000 0.962 745 S HN 0.967 nan 8.310 nan 0.000 0.433 746 T N -0.506 114.100 114.554 0.087 0.000 2.857 746 T HA 0.239 4.588 4.350 -0.001 0.000 0.266 746 T C 1.971 176.737 174.700 0.110 0.000 1.048 746 T CA 1.247 63.401 62.100 0.090 0.000 1.139 746 T CB -0.858 68.055 68.868 0.074 0.000 0.874 746 T HN 0.467 nan 8.240 nan 0.000 0.455 747 A N 1.352 124.224 122.820 0.088 0.000 1.930 747 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 747 A C 2.191 179.757 177.584 -0.030 0.000 1.175 747 A CA 1.927 53.969 52.037 0.007 0.000 0.627 747 A CB -1.198 17.780 19.000 -0.036 0.000 0.815 747 A HN 0.743 nan 8.150 nan 0.000 0.443 748 H N -0.009 119.056 119.070 -0.009 0.000 2.353 748 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 748 H C 2.066 177.459 175.328 0.108 0.000 1.090 748 H CA 2.337 58.423 56.048 0.064 0.000 1.327 748 H CB -0.180 29.618 29.762 0.059 0.000 1.383 748 H HN 0.591 nan 8.280 nan 0.000 0.508 749 Q N -1.083 118.710 119.800 -0.012 0.000 2.123 749 Q HA -0.152 4.187 4.340 -0.001 0.000 0.199 749 Q C 2.186 178.173 176.000 -0.022 0.000 0.966 749 Q CA 1.126 56.883 55.803 -0.077 0.000 0.845 749 Q CB -0.162 28.569 28.738 -0.011 0.000 0.907 749 Q HN 0.629 nan 8.270 nan 0.000 0.439 750 H N 0.955 120.011 119.070 -0.024 0.000 2.321 750 H HA -0.117 4.438 4.556 -0.001 0.000 0.300 750 H C 2.078 177.423 175.328 0.029 0.000 1.087 750 H CA 1.534 57.609 56.048 0.046 0.000 1.319 750 H CB -0.036 29.823 29.762 0.160 0.000 1.379 750 H HN 0.281 nan 8.280 nan 0.000 0.501 751 I N 0.074 120.632 120.570 -0.019 0.000 2.179 751 I HA -0.338 3.832 4.170 -0.001 0.000 0.242 751 I C 1.939 177.854 176.117 -0.338 0.000 1.088 751 I CA 1.358 62.550 61.300 -0.180 0.000 1.357 751 I CB -0.331 37.375 38.000 -0.489 0.000 1.051 751 I HN 0.179 nan 8.210 nan 0.000 0.409 752 Y N 0.989 121.083 120.300 -0.344 0.000 2.224 752 Y HA -0.263 4.287 4.550 -0.000 0.000 0.289 752 Y C 2.732 178.437 175.900 -0.325 0.000 1.146 752 Y CA 2.117 59.915 58.100 -0.503 0.000 1.182 752 Y CB -0.748 37.416 38.460 -0.495 0.000 0.983 752 Y HN 0.182 nan 8.280 nan 0.000 0.524 753 T N -1.565 112.928 114.554 -0.103 0.000 2.684 753 T HA -0.276 4.073 4.350 -0.001 0.000 0.267 753 T C 1.526 176.139 174.700 -0.145 0.000 1.036 753 T CA 1.966 63.973 62.100 -0.154 0.000 1.148 753 T CB -0.549 68.231 68.868 -0.147 0.000 0.863 753 T HN 0.430 nan 8.240 nan 0.000 0.436 754 H N 0.840 119.804 119.070 -0.178 0.000 2.319 754 H HA 0.050 4.605 4.556 -0.002 0.000 0.299 754 H C 2.234 177.552 175.328 -0.017 0.000 1.092 754 H CA 1.697 57.704 56.048 -0.069 0.000 1.302 754 H CB -0.281 29.419 29.762 -0.102 0.000 1.373 754 H HN 0.257 nan 8.280 nan 0.000 0.497 755 M N -0.732 118.826 119.600 -0.070 0.000 2.159 755 M HA -0.180 4.300 4.480 -0.001 0.000 0.263 755 M C 2.383 178.798 176.300 0.192 0.000 1.063 755 M CA 1.673 56.923 55.300 -0.083 0.000 1.110 755 M CB -0.039 32.246 32.600 -0.524 0.000 1.374 755 M HN 0.226 nan 8.290 nan 0.000 0.411 756 S N -0.743 115.092 115.700 0.225 0.000 2.383 756 S HA -0.154 4.315 4.470 -0.001 0.000 0.227 756 S C 1.555 176.243 174.600 0.146 0.000 1.026 756 S CA 1.209 59.617 58.200 0.348 0.000 0.981 756 S CB -0.615 62.795 63.200 0.350 0.000 0.818 756 S HN 0.565 nan 8.310 nan 0.000 0.472 757 H N -0.335 118.794 119.070 0.098 0.000 2.321 757 H HA -0.043 4.514 4.556 0.001 0.000 0.300 757 H C 1.942 177.275 175.328 0.007 0.000 1.087 757 H CA 1.605 57.662 56.048 0.016 0.000 1.319 757 H CB -0.224 29.493 29.762 -0.076 0.000 1.379 757 H HN 0.341 nan 8.280 nan 0.000 0.501 758 F N 1.237 121.170 119.950 -0.029 0.000 2.065 758 F HA -0.270 4.256 4.527 -0.002 0.000 0.298 758 F C 2.069 177.828 175.800 -0.068 0.000 1.112 758 F CA 1.261 59.219 58.000 -0.069 0.000 1.212 758 F CB -0.263 38.682 39.000 -0.091 0.000 0.975 758 F HN 0.070 nan 8.300 nan 0.000 0.476 759 I N 0.361 120.945 120.570 0.023 0.000 2.226 759 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 759 I C 2.252 178.217 176.117 -0.253 0.000 1.100 759 I CA 1.507 62.667 61.300 -0.233 0.000 1.374 759 I CB -1.354 36.585 38.000 -0.103 0.000 1.057 759 I HN 0.220 nan 8.210 nan 0.000 0.413 760 K N 0.369 120.748 120.400 -0.035 0.000 2.057 760 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 760 K C 2.132 178.734 176.600 0.002 0.000 1.049 760 K CA 1.365 57.677 56.287 0.041 0.000 0.931 760 K CB -0.202 32.365 32.500 0.110 0.000 0.714 760 K HN 0.291 nan 8.250 nan 0.000 0.440 761 Q N 0.620 120.385 119.800 -0.059 0.000 2.050 761 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 761 Q C 2.309 178.221 176.000 -0.146 0.000 0.980 761 Q CA 1.934 57.682 55.803 -0.092 0.000 0.840 761 Q CB -0.309 28.360 28.738 -0.116 0.000 0.898 761 Q HN 0.458 nan 8.270 nan 0.000 0.424 762 c N -0.089 118.316 118.600 -0.326 0.000 2.413 762 c HA -0.117 4.452 4.570 -0.001 0.000 0.277 762 c C 1.923 176.010 174.090 -0.005 0.000 1.265 762 c CA 0.542 56.681 56.329 -0.316 0.000 1.752 762 c CB -1.239 40.902 42.510 -0.615 0.000 1.998 762 c HN 0.641 nan 8.230 nan 0.000 0.489 763 F N 1.716 121.628 119.950 -0.064 0.000 2.732 763 F HA 0.240 4.767 4.527 -0.000 0.000 0.303 763 F C 1.640 177.428 175.800 -0.020 0.000 1.110 763 F CA 0.450 58.435 58.000 -0.025 0.000 1.355 763 F CB -1.209 37.786 39.000 -0.009 0.000 1.081 763 F HN 0.250 nan 8.300 nan 0.000 0.565 764 S N 0.783 116.567 115.700 0.141 0.000 3.682 764 S HA -0.203 4.267 4.470 -0.001 0.000 0.354 764 S C -0.060 174.585 174.600 0.074 0.000 1.034 764 S CA 0.135 58.380 58.200 0.076 0.000 1.084 764 S CB -2.131 61.102 63.200 0.054 0.000 0.903 764 S HN 0.243 nan 8.310 nan 0.000 0.470 765 L N 1.623 122.903 121.223 0.094 0.000 2.307 765 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 765 L C -1.401 175.514 176.870 0.075 0.000 1.023 765 L CA -2.029 52.863 54.840 0.087 0.000 0.810 765 L CB 0.908 43.037 42.059 0.116 0.000 1.231 765 L HN 0.033 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726